 18 
energy.map (0,0)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240

 18 
energy.map (1,1)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (1,2)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (1,3)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (2,0)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (2,1)
C 0.000 0.000 -2.479
C 0.522 -0.700 -1.242
C 0.000 0.000 0.000
C 0.439 1.452 0.014
C 0.000 2.171 -1.248
C 0.476 1.442 -2.489
H  0.192 -1.771 -1.236
H  0.387 -0.515 0.917
H  -1.119 -0.056 0.023
H  0.007 1.968 0.910
H  1.556 1.502 0.102
H  -1.119 2.246 -1.265
H  0.407 3.216 -1.243
H  1.596 1.466 -2.536
H  0.089 1.962 -3.402
H  0.365 -0.525 -3.399
H  -1.120 -0.031 -2.494
H  1.642 -0.692 -1.240
 18 
energy.map (2,2)
C 0.000 0.000 -2.482
C 0.518 -0.700 -1.242
C 0.000 0.000 0.000
C 0.444 1.450 0.017
C 0.000 2.171 -1.242
C 0.462 1.446 -2.490
H  0.185 -1.770 -1.238
H  0.384 -0.518 0.917
H  -1.120 -0.051 0.024
H  0.017 1.965 0.915
H  1.561 1.497 0.099
H  -1.119 2.252 -1.250
H  0.411 3.215 -1.239
H  1.580 1.479 -2.552
H  0.059 1.967 -3.396
H  0.375 -0.522 -3.399
H  -1.120 -0.042 -2.503
H  1.638 -0.696 -1.240
 18 
energy.map (2,3)
C 0.000 0.000 -2.484
C 0.513 -0.699 -1.241
C 0.000 0.000 0.000
C 0.448 1.448 0.020
C 0.000 2.172 -1.235
C 0.447 1.449 -2.491
H  0.177 -1.768 -1.239
H  0.380 -0.521 0.917
H  -1.120 -0.047 0.025
H  0.027 1.963 0.921
H  1.567 1.492 0.096
H  -1.118 2.259 -1.235
H  0.414 3.214 -1.234
H  1.565 1.492 -2.569
H  0.028 1.971 -3.390
H  0.386 -0.518 -3.400
H  -1.119 -0.052 -2.513
H  1.634 -0.699 -1.240
 18 
energy.map (3,0)
C 0.000 0.000 -2.487
C 0.509 -0.699 -1.241
C 0.000 0.000 0.000
C 0.453 1.446 0.023
C 0.000 2.172 -1.229
C 0.432 1.453 -2.492
H  0.170 -1.767 -1.240
H  0.377 -0.524 0.917
H  -1.120 -0.042 0.026
H  0.037 1.960 0.926
H  1.572 1.487 0.093
H  -1.118 2.265 -1.220
H  0.418 3.213 -1.229
H  1.549 1.505 -2.585
H  -0.002 1.975 -3.384
H  0.396 -0.515 -3.400
H  -1.119 -0.062 -2.522
H  1.630 -0.703 -1.240
 18 
energy.map (3,1)
C 0.000 0.000 -2.491
C 0.505 -0.699 -1.243
C 0.000 0.000 0.000
C 0.458 1.444 0.022
C 0.000 2.173 -1.226
C 0.417 1.456 -2.495
H  0.162 -1.766 -1.244
H  0.377 -0.527 0.915
H  -1.120 -0.039 0.027
H  0.049 1.960 0.927
H  1.578 1.481 0.085
H  -1.118 2.272 -1.208
H  0.423 3.212 -1.229
H  1.532 1.519 -2.604
H  -0.034 1.976 -3.379
H  0.406 -0.511 -3.402
H  -1.118 -0.072 -2.534
H  1.626 -0.707 -1.243
 18 
energy.map (3,2)
C 0.000 0.000 -2.496
C 0.502 -0.699 -1.245
C 0.000 0.000 0.000
C 0.464 1.442 0.020
C 0.000 2.175 -1.223
C 0.402 1.460 -2.498
H  0.154 -1.765 -1.248
H  0.377 -0.530 0.914
H  -1.121 -0.037 0.028
H  0.061 1.959 0.928
H  1.583 1.475 0.078
H  -1.117 2.279 -1.196
H  0.428 3.212 -1.229
H  1.515 1.533 -2.624
H  -0.067 1.977 -3.375
H  0.417 -0.507 -3.404
H  -1.117 -0.082 -2.545
H  1.623 -0.711 -1.245
 18 
energy.map (3,3)
C 0.000 0.000 -2.500
C 0.498 -0.699 -1.247
C 0.000 0.000 0.000
C 0.469 1.440 0.019
C 0.000 2.176 -1.220
C 0.387 1.463 -2.501
H  0.145 -1.763 -1.251
H  0.377 -0.532 0.912
H  -1.121 -0.034 0.029
H  0.072 1.959 0.929
H  1.589 1.468 0.071
H  -1.117 2.285 -1.184
H  0.433 3.211 -1.228
H  1.497 1.547 -2.643
H  -0.099 1.978 -3.370
H  0.427 -0.502 -3.406
H  -1.116 -0.093 -2.557
H  1.619 -0.715 -1.248
 18 
energy.map (4,0)
C 0.000 0.000 -2.504
C 0.494 -0.699 -1.249
C 0.000 0.000 0.000
C 0.474 1.438 0.017
C 0.000 2.177 -1.217
C 0.372 1.466 -2.504
H  0.137 -1.762 -1.255
H  0.377 -0.535 0.910
H  -1.121 -0.031 0.030
H  0.084 1.958 0.930
H  1.594 1.462 0.063
H  -1.116 2.292 -1.172
H  0.438 3.210 -1.228
H  1.480 1.561 -2.662
H  -0.131 1.979 -3.365
H  0.437 -0.498 -3.408
H  -1.115 -0.103 -2.568
H  1.615 -0.719 -1.250
 18 
energy.map (4,1)
C 0.000 0.000 -2.507
C 0.487 -0.700 -1.251
C 0.000 0.000 0.000
C 0.484 1.435 0.014
C 0.000 2.177 -1.214
C 0.359 1.470 -2.506
H  0.125 -1.761 -1.256
H  0.378 -0.538 0.908
H  -1.121 -0.025 0.034
H  0.107 1.955 0.933
H  1.604 1.452 0.048
H  -1.115 2.292 -1.158
H  0.439 3.209 -1.226
H  1.464 1.575 -2.679
H  -0.159 1.980 -3.359
H  0.447 -0.493 -3.408
H  -1.114 -0.111 -2.580
H  1.609 -0.727 -1.251
 18 
energy.map (4,2)
C 0.000 0.000 -2.510
C 0.481 -0.700 -1.253
C 0.000 0.000 0.000
C 0.493 1.432 0.011
C 0.000 2.176 -1.212
C 0.346 1.474 -2.508
H  0.113 -1.760 -1.258
H  0.379 -0.540 0.907
H  -1.121 -0.018 0.038
H  0.130 1.952 0.935
H  1.614 1.443 0.033
H  -1.115 2.293 -1.144
H  0.440 3.209 -1.224
H  1.447 1.589 -2.696
H  -0.188 1.981 -3.354
H  0.457 -0.489 -3.409
H  -1.113 -0.119 -2.592
H  1.602 -0.735 -1.252
 18 
energy.map (4,3)
C 0.000 0.000 -2.512
C 0.474 -0.700 -1.255
C 0.000 0.000 0.000
C 0.502 1.429 0.008
C 0.000 2.176 -1.209
C 0.332 1.477 -2.510
H  0.100 -1.758 -1.259
H  0.380 -0.543 0.905
H  -1.120 -0.012 0.041
H  0.153 1.948 0.938
H  1.623 1.433 0.018
H  -1.114 2.293 -1.129
H  0.440 3.208 -1.222
H  1.431 1.603 -2.713
H  -0.216 1.981 -3.348
H  0.467 -0.484 -3.409
H  -1.111 -0.126 -2.603
H  1.596 -0.743 -1.253
 18 
energy.map (5,0)
C 0.000 0.000 -2.515
C 0.467 -0.701 -1.257
C 0.000 0.000 0.000
C 0.512 1.426 0.005
C 0.000 2.175 -1.206
C 0.319 1.481 -2.512
H  0.088 -1.757 -1.260
H  0.381 -0.545 0.903
H  -1.120 -0.005 0.045
H  0.176 1.945 0.940
H  1.633 1.423 0.003
H  -1.113 2.293 -1.115
H  0.441 3.207 -1.220
H  1.414 1.617 -2.730
H  -0.244 1.982 -3.342
H  0.477 -0.479 -3.409
H  -1.110 -0.134 -2.615
H  1.589 -0.751 -1.254
 18 
energy.map (5,1)
C 0.000 0.000 -2.518
C 0.459 -0.704 -1.258
C 0.000 0.000 0.000
C 0.522 1.422 -0.001
C 0.000 2.176 -1.205
C 0.307 1.484 -2.515
H  0.069 -1.756 -1.263
H  0.383 -0.546 0.901
H  -1.120 0.003 0.051
H  0.202 1.943 0.938
H  1.642 1.412 -0.017
H  -1.113 2.292 -1.104
H  0.441 3.207 -1.222
H  1.397 1.629 -2.748
H  -0.272 1.980 -3.337
H  0.487 -0.475 -3.408
H  -1.108 -0.142 -2.628
H  1.580 -0.766 -1.255
 18 
energy.map (5,2)
C 0.000 0.000 -2.520
C 0.451 -0.707 -1.260
C 0.000 0.000 0.000
C 0.531 1.419 -0.007
C 0.000 2.176 -1.203
C 0.295 1.487 -2.518
H  0.051 -1.756 -1.266
H  0.385 -0.548 0.900
H  -1.119 0.010 0.057
H  0.228 1.942 0.937
H  1.652 1.401 -0.036
H  -1.112 2.291 -1.094
H  0.440 3.208 -1.224
H  1.380 1.641 -2.765
H  -0.300 1.978 -3.332
H  0.497 -0.472 -3.407
H  -1.106 -0.150 -2.640
H  1.571 -0.781 -1.256
 18 
energy.map (5,3)
C 0.000 0.000 -2.523
C 0.443 -0.710 -1.261
C 0.000 0.000 0.000
C 0.541 1.415 -0.013
C 0.000 2.177 -1.202
C 0.282 1.490 -2.520
H  0.033 -1.755 -1.269
H  0.386 -0.549 0.898
H  -1.119 0.018 0.063
H  0.254 1.940 0.935
H  1.661 1.389 -0.056
H  -1.112 2.290 -1.083
H  0.440 3.208 -1.226
H  1.362 1.652 -2.783
H  -0.328 1.976 -3.326
H  0.507 -0.468 -3.406
H  -1.104 -0.157 -2.653
H  1.562 -0.796 -1.257
 18 
energy.map (6,0)
C 0.000 0.000 -2.525
C 0.435 -0.713 -1.262
C 0.000 0.000 0.000
C 0.550 1.411 -0.019
C 0.000 2.177 -1.200
C 0.270 1.493 -2.523
H  0.014 -1.754 -1.272
H  0.388 -0.550 0.896
H  -1.118 0.025 0.069
H  0.280 1.938 0.933
H  1.670 1.378 -0.075
H  -1.111 2.289 -1.072
H  0.439 3.208 -1.228
H  1.345 1.664 -2.800
H  -0.356 1.974 -3.321
H  0.517 -0.464 -3.405
H  -1.102 -0.165 -2.665
H  1.553 -0.811 -1.258
 18 
energy.map (6,1)
C 0.000 0.000 -2.526
C 0.425 -0.717 -1.263
C 0.000 0.000 0.000
C 0.555 1.409 -0.020
C 0.000 2.177 -1.197
C 0.259 1.494 -2.523
H  -0.009 -1.753 -1.272
H  0.388 -0.552 0.895
H  -1.118 0.030 0.074
H  0.290 1.936 0.934
H  1.674 1.373 -0.081
H  -1.109 2.294 -1.061
H  0.444 3.207 -1.227
H  1.330 1.672 -2.811
H  -0.378 1.973 -3.314
H  0.527 -0.460 -3.403
H  -1.100 -0.171 -2.677
H  1.541 -0.829 -1.258
 18 
energy.map (6,2)
C 0.000 0.000 -2.528
C 0.414 -0.722 -1.263
C 0.000 0.000 0.000
C 0.559 1.408 -0.020
C 0.000 2.178 -1.195
C 0.247 1.496 -2.523
H  -0.032 -1.752 -1.272
H  0.388 -0.554 0.894
H  -1.117 0.036 0.079
H  0.300 1.935 0.935
H  1.678 1.368 -0.087
H  -1.108 2.299 -1.049
H  0.449 3.205 -1.225
H  1.314 1.681 -2.822
H  -0.401 1.971 -3.306
H  0.538 -0.455 -3.400
H  -1.098 -0.178 -2.690
H  1.529 -0.847 -1.259
 18 
energy.map (6,3)
C 0.000 0.000 -2.529
C 0.404 -0.726 -1.264
C 0.000 0.000 0.000
C 0.564 1.406 -0.021
C 0.000 2.178 -1.192
C 0.236 1.497 -2.523
H  -0.055 -1.750 -1.271
H  0.387 -0.556 0.893
H  -1.117 0.041 0.084
H  0.310 1.933 0.935
H  1.682 1.363 -0.093
H  -1.106 2.304 -1.038
H  0.453 3.204 -1.224
H  1.299 1.689 -2.833
H  -0.423 1.970 -3.299
H  0.548 -0.451 -3.398
H  -1.095 -0.184 -2.702
H  1.517 -0.864 -1.259
 18 
energy.map (7,0)
C 0.000 0.000 -2.530
C 0.393 -0.730 -1.264
C 0.000 0.000 0.000
C 0.568 1.404 -0.021
C 0.000 2.178 -1.189
C 0.224 1.498 -2.523
H  -0.078 -1.749 -1.271
H  0.387 -0.558 0.892
H  -1.116 0.046 0.089
H  0.320 1.931 0.936
H  1.686 1.358 -0.099
H  -1.104 2.309 -1.026
H  0.458 3.202 -1.222
H  1.283 1.697 -2.844
H  -0.445 1.968 -3.291
H  0.558 -0.446 -3.395
H  -1.093 -0.190 -2.714
H  1.505 -0.882 -1.259
 18 
energy.map (7,1)
C 0.000 0.000 -2.530
C 0.392 -0.730 -1.264
C 0.000 0.000 0.000
C 0.570 1.403 -0.019
C 0.000 2.179 -1.184
C 0.209 1.500 -2.521
H  -0.080 -1.748 -1.271
H  0.386 -0.559 0.892
H  -1.116 0.047 0.088
H  0.324 1.927 0.941
H  1.688 1.356 -0.098
H  -1.102 2.318 -1.014
H  0.463 3.200 -1.217
H  1.260 1.711 -2.859
H  -0.476 1.966 -3.278
H  0.567 -0.439 -3.393
H  -1.090 -0.200 -2.722
H  1.505 -0.883 -1.259
 18 
energy.map (7,2)
C 0.000 0.000 -2.531
C 0.392 -0.729 -1.264
C 0.000 0.000 0.000
C 0.573 1.401 -0.017
C 0.000 2.179 -1.179
C 0.194 1.503 -2.520
H  -0.082 -1.747 -1.271
H  0.385 -0.561 0.892
H  -1.117 0.048 0.087
H  0.329 1.924 0.945
H  1.689 1.353 -0.098
H  -1.099 2.326 -1.002
H  0.469 3.198 -1.213
H  1.237 1.724 -2.874
H  -0.507 1.963 -3.264
H  0.576 -0.432 -3.392
H  -1.087 -0.211 -2.729
H  1.504 -0.884 -1.260
 18 
energy.map (7,3)
C 0.000 0.000 -2.531
C 0.391 -0.728 -1.263
C 0.000 0.000 0.000
C 0.575 1.400 -0.014
C 0.000 2.180 -1.173
C 0.178 1.505 -2.518
H  -0.083 -1.746 -1.270
H  0.383 -0.562 0.891
H  -1.117 0.049 0.086
H  0.333 1.920 0.950
H  1.691 1.351 -0.097
H  -1.097 2.335 -0.989
H  0.474 3.196 -1.208
H  1.213 1.738 -2.889
H  -0.538 1.961 -3.251
H  0.584 -0.424 -3.390
H  -1.083 -0.221 -2.737
H  1.504 -0.885 -1.260
 18 
energy.map (8,0)
C 0.000 0.000 -2.531
C 0.390 -0.728 -1.263
C 0.000 0.000 0.000
C 0.577 1.398 -0.012
C 0.000 2.180 -1.168
C 0.163 1.507 -2.516
H  -0.085 -1.745 -1.270
H  0.382 -0.563 0.891
H  -1.117 0.050 0.085
H  0.337 1.916 0.954
H  1.692 1.348 -0.096
H  -1.094 2.343 -0.977
H  0.479 3.194 -1.203
H  1.190 1.751 -2.904
H  -0.569 1.958 -3.237
H  0.593 -0.417 -3.388
H  -1.080 -0.231 -2.744
H  1.503 -0.886 -1.260
 18 
energy.map (8,1)
C 0.000 0.000 -2.532
C 0.391 -0.727 -1.263
C 0.000 0.000 0.000
C 0.579 1.397 -0.012
C 0.000 2.183 -1.166
C 0.147 1.509 -2.516
H  -0.082 -1.745 -1.271
H  0.381 -0.563 0.892
H  -1.117 0.052 0.085
H  0.341 1.916 0.954
H  1.694 1.346 -0.099
H  -1.091 2.356 -0.967
H  0.487 3.193 -1.208
H  1.164 1.764 -2.920
H  -0.601 1.952 -3.224
H  0.601 -0.410 -3.386
H  -1.076 -0.242 -2.751
H  1.504 -0.883 -1.260
 18 
energy.map (8,2)
C 0.000 0.000 -2.533
C 0.392 -0.726 -1.264
C 0.000 0.000 0.000
C 0.580 1.397 -0.012
C 0.000 2.185 -1.165
C 0.131 1.511 -2.516
H  -0.079 -1.745 -1.271
H  0.379 -0.564 0.892
H  -1.117 0.054 0.085
H  0.346 1.916 0.955
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H  -1.088 2.369 -0.958
H  0.494 3.192 -1.213
H  1.138 1.778 -2.937
H  -0.634 1.946 -3.210
H  0.609 -0.404 -3.384
H  -1.073 -0.253 -2.758
H  1.505 -0.880 -1.260
 18 
energy.map (8,3)
C 0.000 0.000 -2.533
C 0.392 -0.724 -1.264
C 0.000 0.000 0.000
C 0.581 1.396 -0.011
C 0.000 2.188 -1.163
C 0.115 1.512 -2.515
H  -0.075 -1.745 -1.272
H  0.378 -0.565 0.893
H  -1.117 0.055 0.084
H  0.350 1.915 0.956
H  1.697 1.341 -0.105
H  -1.085 2.381 -0.948
H  0.502 3.190 -1.218
H  1.112 1.791 -2.953
H  -0.667 1.939 -3.197
H  0.618 -0.397 -3.382
H  -1.069 -0.264 -2.764
H  1.506 -0.877 -1.259
 18 
energy.map (9,0)
C 0.000 0.000 -2.534
C 0.393 -0.723 -1.264
C 0.000 0.000 0.000
C 0.583 1.395 -0.011
C 0.000 2.190 -1.161
C 0.099 1.514 -2.515
H  -0.072 -1.745 -1.272
H  0.376 -0.565 0.893
H  -1.117 0.057 0.084
H  0.354 1.915 0.956
H  1.699 1.338 -0.108
H  -1.082 2.394 -0.938
H  0.509 3.189 -1.223
H  1.086 1.804 -2.969
H  -0.699 1.933 -3.183
H  0.626 -0.390 -3.380
H  -1.065 -0.275 -2.771
H  1.507 -0.874 -1.259
 18 
energy.map (9,1)
C 0.000 0.000 -2.535
C 0.393 -0.722 -1.265
C 0.000 0.000 0.000
C 0.584 1.395 -0.010
C 0.000 2.191 -1.158
C 0.084 1.515 -2.513
H  -0.073 -1.744 -1.272
H  0.375 -0.566 0.893
H  -1.117 0.058 0.083
H  0.356 1.912 0.959
H  1.700 1.337 -0.107
H  -1.080 2.401 -0.930
H  0.514 3.187 -1.224
H  1.059 1.814 -2.984
H  -0.728 1.927 -3.168
H  0.633 -0.383 -3.379
H  -1.061 -0.285 -2.778
H  1.507 -0.873 -1.259
 18 
energy.map (9,2)
C 0.000 0.000 -2.535
C 0.393 -0.722 -1.265
C 0.000 0.000 0.000
C 0.585 1.394 -0.009
C 0.000 2.191 -1.156
C 0.068 1.515 -2.511
H  -0.074 -1.744 -1.272
H  0.374 -0.567 0.892
H  -1.117 0.059 0.082
H  0.358 1.909 0.962
H  1.701 1.337 -0.107
H  -1.078 2.408 -0.922
H  0.519 3.185 -1.224
H  1.033 1.825 -2.998
H  -0.757 1.922 -3.153
H  0.641 -0.375 -3.377
H  -1.057 -0.295 -2.786
H  1.507 -0.873 -1.260
 18 
energy.map (9,3)
C 0.000 0.000 -2.536
C 0.392 -0.722 -1.266
C 0.000 0.000 0.000
C 0.587 1.394 -0.007
C 0.000 2.192 -1.153
C 0.053 1.516 -2.508
H  -0.074 -1.743 -1.272
H  0.372 -0.569 0.892
H  -1.117 0.060 0.081
H  0.359 1.906 0.965
H  1.702 1.336 -0.106
H  -1.075 2.414 -0.913
H  0.523 3.182 -1.225
H  1.006 1.835 -3.013
H  -0.785 1.916 -3.138
H  0.648 -0.368 -3.376
H  -1.052 -0.304 -2.793
H  1.506 -0.873 -1.260
 18 
energy.map (10,0)
C 0.000 0.000 -2.536
C 0.392 -0.721 -1.266
C 0.000 0.000 0.000
C 0.588 1.393 -0.006
C 0.000 2.192 -1.150
C 0.037 1.516 -2.506
H  -0.075 -1.742 -1.272
H  0.371 -0.570 0.891
H  -1.117 0.061 0.080
H  0.361 1.903 0.968
H  1.703 1.335 -0.105
H  -1.073 2.421 -0.905
H  0.528 3.180 -1.225
H  0.979 1.845 -3.027
H  -0.814 1.910 -3.123
H  0.655 -0.360 -3.374
H  -1.048 -0.314 -2.800
H  1.506 -0.872 -1.260
 18 
energy.map (10,1)
C 0.000 0.000 -2.535
C 0.391 -0.722 -1.265
C 0.000 0.000 0.000
C 0.588 1.393 -0.008
C 0.000 2.195 -1.148
C 0.022 1.516 -2.503
H  -0.076 -1.743 -1.272
H  0.372 -0.569 0.891
H  -1.117 0.059 0.079
H  0.363 1.905 0.965
H  1.703 1.334 -0.109
H  -1.068 2.437 -0.896
H  0.538 3.177 -1.227
H  0.951 1.856 -3.039
H  -0.843 1.900 -3.105
H  0.663 -0.352 -3.370
H  -1.044 -0.323 -2.805
H  1.505 -0.875 -1.259
 18 
energy.map (10,2)
C 0.000 0.000 -2.534
C 0.391 -0.724 -1.264
C 0.000 0.000 0.000
C 0.588 1.393 -0.010
C 0.000 2.198 -1.147
C 0.008 1.517 -2.500
H  -0.078 -1.744 -1.272
H  0.373 -0.569 0.891
H  -1.117 0.058 0.079
H  0.364 1.907 0.962
H  1.704 1.333 -0.113
H  -1.064 2.453 -0.888
H  0.548 3.175 -1.229
H  0.923 1.867 -3.051
H  -0.873 1.890 -3.087
H  0.671 -0.345 -3.365
H  -1.039 -0.333 -2.810
H  1.505 -0.877 -1.259
 18 
energy.map (10,3)
C 0.000 0.000 -2.532
C 0.390 -0.726 -1.263
C 0.000 0.000 0.000
C 0.588 1.392 -0.012
C 0.000 2.201 -1.145
C -0.007 1.517 -2.496
H  -0.079 -1.745 -1.271
H  0.373 -0.569 0.891
H  -1.117 0.056 0.078
H  0.366 1.909 0.958
H  1.704 1.332 -0.117
H  -1.059 2.469 -0.879
H  0.557 3.172 -1.230
H  0.895 1.877 -3.063
H  -0.902 1.880 -3.069
H  0.679 -0.337 -3.361
H  -1.035 -0.342 -2.815
H  1.504 -0.880 -1.258
 18 
energy.map (11,0)
C 0.000 0.000 -2.531
C 0.389 -0.727 -1.262
C 0.000 0.000 0.000
C 0.588 1.392 -0.014
C 0.000 2.204 -1.143
C -0.022 1.517 -2.493
H  -0.080 -1.746 -1.271
H  0.374 -0.568 0.891
H  -1.117 0.054 0.077
H  0.367 1.911 0.955
H  1.704 1.331 -0.121
H  -1.054 2.485 -0.870
H  0.567 3.169 -1.232
H  0.867 1.888 -3.075
H  -0.931 1.870 -3.051
H  0.687 -0.329 -3.356
H  -1.030 -0.351 -2.820
H  1.503 -0.883 -1.257
 18 
energy.map (11,1)
C 0.000 0.000 -2.529
C 0.385 -0.732 -1.261
C 0.000 0.000 0.000
C 0.592 1.391 -0.016
C 0.000 2.206 -1.140
C -0.035 1.517 -2.488
H  -0.091 -1.747 -1.269
H  0.374 -0.567 0.892
H  -1.117 0.059 0.080
H  0.382 1.908 0.957
H  1.707 1.325 -0.131
H  -1.050 2.492 -0.858
H  0.571 3.167 -1.236
H  0.842 1.895 -3.084
H  -0.954 1.862 -3.033
H  0.697 -0.320 -3.350
H  -1.024 -0.358 -2.830
H  1.498 -0.894 -1.256
 18 
energy.map (11,2)
C 0.000 0.000 -2.528
C 0.382 -0.736 -1.261
C 0.000 0.000 0.000
C 0.596 1.390 -0.018
C 0.000 2.208 -1.137
C -0.048 1.516 -2.483
H  -0.102 -1.749 -1.268
H  0.374 -0.566 0.892
H  -1.116 0.064 0.082
H  0.397 1.905 0.958
H  1.709 1.320 -0.141
H  -1.047 2.498 -0.845
H  0.576 3.166 -1.239
H  0.816 1.902 -3.092
H  -0.978 1.853 -3.016
H  0.707 -0.311 -3.343
H  -1.018 -0.365 -2.839
H  1.493 -0.905 -1.254
 18 
energy.map (11,3)
C 0.000 0.000 -2.526
C 0.378 -0.740 -1.260
C 0.000 0.000 0.000
C 0.600 1.389 -0.019
C 0.000 2.209 -1.133
C -0.061 1.516 -2.478
H  -0.113 -1.750 -1.266
H  0.374 -0.565 0.893
H  -1.116 0.069 0.085
H  0.412 1.901 0.960
H  1.712 1.314 -0.150
H  -1.043 2.505 -0.833
H  0.581 3.164 -1.243
H  0.791 1.908 -3.101
H  -1.001 1.845 -2.998
H  0.716 -0.301 -3.337
H  -1.012 -0.372 -2.849
H  1.487 -0.915 -1.253
 18 
energy.map (12,0)
C 0.000 0.000 -2.524
C 0.374 -0.745 -1.259
C 0.000 0.000 0.000
C 0.604 1.388 -0.021
C 0.000 2.211 -1.130
C -0.074 1.515 -2.473
H  -0.124 -1.751 -1.264
H  0.374 -0.564 0.893
H  -1.115 0.074 0.088
H  0.427 1.898 0.962
H  1.714 1.308 -0.160
H  -1.039 2.511 -0.821
H  0.585 3.162 -1.246
H  0.765 1.915 -3.109
H  -1.024 1.836 -2.980
H  0.726 -0.292 -3.330
H  -1.006 -0.379 -2.858
H  1.482 -0.926 -1.251
 18 
energy.map (12,1)
C 0.000 0.000 -2.525
C 0.377 -0.743 -1.260
C 0.000 0.000 0.000
C 0.603 1.388 -0.023
C 0.000 2.212 -1.133
C -0.090 1.514 -2.474
H  -0.117 -1.751 -1.264
H  0.374 -0.564 0.893
H  -1.115 0.073 0.087
H  0.427 1.898 0.960
H  1.714 1.308 -0.160
H  -1.034 2.524 -0.819
H  0.593 3.157 -1.255
H  0.732 1.923 -3.125
H  -1.052 1.823 -2.963
H  0.732 -0.284 -3.329
H  -1.001 -0.389 -2.864
H  1.485 -0.921 -1.252
 18 
energy.map (12,2)
C 0.000 0.000 -2.527
C 0.379 -0.741 -1.261
C 0.000 0.000 0.000
C 0.603 1.388 -0.024
C 0.000 2.213 -1.136
C -0.106 1.512 -2.474
H  -0.111 -1.751 -1.265
H  0.374 -0.563 0.894
H  -1.115 0.072 0.086
H  0.426 1.899 0.959
H  1.714 1.308 -0.161
H  -1.029 2.537 -0.817
H  0.601 3.152 -1.263
H  0.699 1.930 -3.140
H  -1.080 1.811 -2.946
H  0.738 -0.276 -3.327
H  -0.995 -0.399 -2.870
H  1.489 -0.915 -1.253
 18 
energy.map (12,3)
C 0.000 0.000 -2.528
C 0.382 -0.739 -1.262
C 0.000 0.000 0.000
C 0.603 1.387 -0.026
C 0.000 2.213 -1.138
C -0.121 1.511 -2.475
H  -0.104 -1.750 -1.265
H  0.373 -0.563 0.894
H  -1.115 0.070 0.085
H  0.426 1.899 0.958
H  1.714 1.307 -0.161
H  -1.023 2.549 -0.815
H  0.609 3.146 -1.272
H  0.666 1.938 -3.156
H  -1.108 1.798 -2.928
H  0.745 -0.267 -3.326
H  -0.990 -0.409 -2.876
H  1.492 -0.910 -1.254
 18 
energy.map (13,0)
C 0.000 0.000 -2.529
C 0.384 -0.737 -1.263
C 0.000 0.000 0.000
C 0.602 1.387 -0.027
C 0.000 2.214 -1.141
C -0.137 1.509 -2.475
H  -0.097 -1.750 -1.265
H  0.373 -0.563 0.894
H  -1.115 0.069 0.084
H  0.425 1.899 0.956
H  1.714 1.307 -0.161
H  -1.018 2.562 -0.813
H  0.617 3.141 -1.280
H  0.633 1.945 -3.171
H  -1.136 1.785 -2.911
H  0.751 -0.259 -3.324
H  -0.984 -0.419 -2.882
H  1.495 -0.904 -1.255
 18 
energy.map (13,1)
C 0.000 0.000 -2.529
C 0.378 -0.740 -1.263
C 0.000 0.000 0.000
C 0.609 1.384 -0.029
C 0.000 2.213 -1.137
C -0.148 1.508 -2.470
H  -0.112 -1.749 -1.265
H  0.372 -0.565 0.894
H  -1.115 0.075 0.087
H  0.442 1.896 0.955
H  1.719 1.300 -0.174
H  -1.015 2.560 -0.800
H  0.617 3.139 -1.280
H  0.608 1.951 -3.176
H  -1.155 1.777 -2.892
H  0.760 -0.250 -3.318
H  -0.977 -0.424 -2.894
H  1.487 -0.916 -1.255
 18 
energy.map (13,2)
C 0.000 0.000 -2.529
C 0.371 -0.742 -1.263
C 0.000 0.000 0.000
C 0.616 1.381 -0.031
C 0.000 2.211 -1.133
C -0.160 1.508 -2.466
H  -0.127 -1.748 -1.266
H  0.372 -0.566 0.893
H  -1.114 0.081 0.089
H  0.459 1.893 0.954
H  1.724 1.293 -0.186
H  -1.013 2.557 -0.788
H  0.617 3.138 -1.280
H  0.584 1.957 -3.181
H  -1.174 1.769 -2.874
H  0.770 -0.242 -3.312
H  -0.970 -0.429 -2.906
H  1.479 -0.928 -1.255
 18 
energy.map (13,3)
C 0.000 0.000 -2.529
C 0.365 -0.745 -1.262
C 0.000 0.000 0.000
C 0.623 1.377 -0.033
C 0.000 2.210 -1.129
C -0.171 1.507 -2.461
H  -0.141 -1.746 -1.266
H  0.371 -0.567 0.893
H  -1.114 0.087 0.092
H  0.475 1.889 0.954
H  1.728 1.285 -0.199
H  -1.010 2.555 -0.775
H  0.616 3.136 -1.280
H  0.559 1.963 -3.185
H  -1.192 1.760 -2.855
H  0.779 -0.233 -3.305
H  -0.963 -0.434 -2.917
H  1.471 -0.940 -1.254
 18 
energy.map (14,0)
C 0.000 0.000 -2.529
C 0.358 -0.748 -1.262
C 0.000 0.000 0.000
C 0.630 1.374 -0.035
C 0.000 2.208 -1.125
C -0.182 1.506 -2.456
H  -0.156 -1.745 -1.266
H  0.370 -0.569 0.892
H  -1.113 0.093 0.094
H  0.492 1.886 0.953
H  1.733 1.278 -0.211
H  -1.007 2.552 -0.762
H  0.616 3.134 -1.280
H  0.534 1.969 -3.190
H  -1.211 1.752 -2.836
H  0.788 -0.224 -3.299
H  -0.956 -0.439 -2.929
H  1.463 -0.952 -1.254
 18 
energy.map (14,1)
C 0.000 0.000 -2.530
C 0.346 -0.752 -1.262
C 0.000 0.000 0.000
C 0.636 1.371 -0.039
C 0.000 2.207 -1.123
C -0.190 1.505 -2.453
H  -0.183 -1.742 -1.266
H  0.371 -0.570 0.891
H  -1.112 0.099 0.101
H  0.508 1.882 0.951
H  1.737 1.272 -0.223
H  -1.005 2.552 -0.754
H  0.618 3.131 -1.281
H  0.516 1.973 -3.193
H  -1.224 1.745 -2.822
H  0.799 -0.216 -3.290
H  -0.948 -0.441 -2.945
H  1.448 -0.973 -1.255
 18 
energy.map (14,2)
C 0.000 0.000 -2.531
C 0.335 -0.757 -1.263
C 0.000 0.000 0.000
C 0.642 1.368 -0.042
C 0.000 2.206 -1.120
C -0.198 1.505 -2.449
H  -0.210 -1.738 -1.266
H  0.372 -0.571 0.890
H  -1.111 0.106 0.108
H  0.523 1.879 0.949
H  1.741 1.266 -0.235
H  -1.002 2.552 -0.745
H  0.621 3.128 -1.282
H  0.498 1.977 -3.196
H  -1.238 1.738 -2.808
H  0.810 -0.208 -3.282
H  -0.940 -0.443 -2.961
H  1.432 -0.994 -1.255
 18 
energy.map (14,3)
C 0.000 0.000 -2.531
C 0.323 -0.762 -1.263
C 0.000 0.000 0.000
C 0.647 1.365 -0.046
C 0.000 2.205 -1.118
C -0.206 1.504 -2.446
H  -0.236 -1.735 -1.265
H  0.373 -0.573 0.889
H  -1.109 0.112 0.114
H  0.539 1.875 0.947
H  1.745 1.260 -0.247
H  -0.999 2.551 -0.736
H  0.623 3.124 -1.283
H  0.479 1.980 -3.199
H  -1.251 1.731 -2.793
H  0.820 -0.200 -3.273
H  -0.932 -0.444 -2.976
H  1.417 -1.016 -1.256
 18 
energy.map (15,0)
C 0.000 0.000 -2.532
C 0.311 -0.766 -1.263
C 0.000 0.000 0.000
C 0.653 1.362 -0.049
C 0.000 2.204 -1.115
C -0.214 1.503 -2.442
H  -0.263 -1.731 -1.265
H  0.374 -0.574 0.888
H  -1.108 0.118 0.121
H  0.554 1.871 0.945
H  1.749 1.254 -0.259
H  -0.997 2.551 -0.728
H  0.625 3.121 -1.284
H  0.461 1.984 -3.202
H  -1.264 1.724 -2.779
H  0.831 -0.192 -3.264
H  -0.924 -0.446 -2.992
H  1.401 -1.037 -1.256
 18 
energy.map (15,1)
C 0.000 0.000 -2.534
C 0.294 -0.772 -1.264
C 0.000 0.000 0.000
C 0.658 1.359 -0.055
C 0.000 2.204 -1.116
C -0.219 1.501 -2.442
H  -0.301 -1.723 -1.264
H  0.379 -0.575 0.886
H  -1.107 0.123 0.131
H  0.569 1.869 0.940
H  1.752 1.246 -0.274
H  -0.995 2.551 -0.725
H  0.623 3.122 -1.288
H  0.448 1.986 -3.206
H  -1.273 1.718 -2.771
H  0.843 -0.187 -3.253
H  -0.915 -0.447 -3.010
H  1.377 -1.066 -1.257
 18 
energy.map (15,2)
C 0.000 0.000 -2.536
C 0.277 -0.777 -1.264
C 0.000 0.000 0.000
C 0.663 1.357 -0.060
C 0.000 2.204 -1.118
C -0.225 1.500 -2.441
H  -0.339 -1.715 -1.264
H  0.384 -0.575 0.883
H  -1.105 0.127 0.141
H  0.584 1.868 0.935
H  1.754 1.237 -0.288
H  -0.992 2.552 -0.722
H  0.621 3.122 -1.291
H  0.435 1.987 -3.211
H  -1.281 1.712 -2.764
H  0.855 -0.181 -3.242
H  -0.906 -0.448 -3.029
H  1.353 -1.096 -1.258
 18 
energy.map (15,3)
C 0.000 0.000 -2.537
C 0.259 -0.783 -1.265
C 0.000 0.000 0.000
C 0.667 1.354 -0.066
C 0.000 2.203 -1.119
C -0.230 1.498 -2.441
H  -0.376 -1.707 -1.263
H  0.389 -0.575 0.881
H  -1.104 0.132 0.151
H  0.598 1.866 0.930
H  1.757 1.229 -0.303
H  -0.990 2.552 -0.718
H  0.619 3.123 -1.295
H  0.422 1.989 -3.215
H  -1.290 1.706 -2.756
H  0.867 -0.176 -3.230
H  -0.896 -0.448 -3.047
H  1.328 -1.125 -1.259
 18 
energy.map (16,0)
C 0.000 0.000 -2.539
C 0.242 -0.788 -1.265
C 0.000 0.000 0.000
C 0.672 1.351 -0.071
C 0.000 2.203 -1.120
C -0.235 1.496 -2.440
H  -0.414 -1.699 -1.262
H  0.394 -0.576 0.878
H  -1.102 0.136 0.161
H  0.613 1.864 0.925
H  1.759 1.220 -0.317
H  -0.988 2.552 -0.715
H  0.617 3.123 -1.298
H  0.409 1.990 -3.219
H  -1.298 1.700 -2.748
H  0.879 -0.170 -3.219
H  -0.887 -0.449 -3.065
H  1.304 -1.154 -1.260
 18 
energy.map (16,1)
C 0.000 0.000 -2.541
C 0.219 -0.792 -1.266
C 0.000 0.000 0.000
C 0.678 1.347 -0.080
C 0.000 2.202 -1.123
C -0.238 1.496 -2.443
H  -0.462 -1.683 -1.263
H  0.402 -0.578 0.873
H  -1.099 0.144 0.176
H  0.629 1.861 0.916
H  1.762 1.212 -0.336
H  -0.987 2.546 -0.712
H  0.616 3.122 -1.302
H  0.403 1.990 -3.224
H  -1.302 1.698 -2.746
H  0.893 -0.166 -3.204
H  -0.875 -0.448 -3.087
H  1.268 -1.188 -1.262
 18 
energy.map (16,2)
C 0.000 0.000 -2.544
C 0.195 -0.797 -1.268
C 0.000 0.000 0.000
C 0.684 1.344 -0.089
C 0.000 2.201 -1.127
C -0.241 1.496 -2.445
H  -0.511 -1.667 -1.263
H  0.410 -0.580 0.868
H  -1.095 0.152 0.191
H  0.645 1.858 0.908
H  1.765 1.203 -0.354
H  -0.986 2.541 -0.709
H  0.615 3.122 -1.306
H  0.397 1.991 -3.229
H  -1.307 1.696 -2.744
H  0.906 -0.163 -3.188
H  -0.863 -0.447 -3.108
H  1.233 -1.223 -1.265
 18 
energy.map (16,3)
C 0.000 0.000 -2.546
C 0.172 -0.801 -1.269
C 0.000 0.000 0.000
C 0.690 1.340 -0.098
C 0.000 2.199 -1.130
C -0.243 1.495 -2.448
H  -0.559 -1.651 -1.264
H  0.417 -0.582 0.863
H  -1.092 0.159 0.205
H  0.661 1.855 0.899
H  1.767 1.195 -0.373
H  -0.985 2.535 -0.706
H  0.613 3.121 -1.309
H  0.390 1.991 -3.234
H  -1.311 1.693 -2.742
H  0.920 -0.159 -3.173
H  -0.851 -0.445 -3.130
H  1.197 -1.257 -1.267
 18 
energy.map (17,0)
C 0.000 0.000 -2.548
C 0.148 -0.805 -1.270
C 0.000 0.000 0.000
C 0.696 1.336 -0.107
C 0.000 2.198 -1.133
C -0.246 1.495 -2.450
H  -0.607 -1.635 -1.264
H  0.425 -0.584 0.858
H  -1.088 0.167 0.220
H  0.677 1.852 0.890
H  1.770 1.186 -0.391
H  -0.984 2.529 -0.703
H  0.612 3.120 -1.313
H  0.384 1.991 -3.239
H  -1.315 1.691 -2.740
H  0.933 -0.155 -3.157
H  -0.839 -0.444 -3.151
H  1.161 -1.291 -1.269
 18 
energy.map (17,1)
C 0.000 0.000 -2.551
C 0.119 -0.806 -1.272
C 0.000 0.000 0.000
C 0.703 1.331 -0.119
C 0.000 2.195 -1.139
C -0.247 1.495 -2.457
H  -0.664 -1.607 -1.265
H  0.436 -0.587 0.851
H  -1.082 0.175 0.239
H  0.703 1.851 0.875
H  1.771 1.172 -0.418
H  -0.984 2.522 -0.705
H  0.607 3.120 -1.317
H  0.384 1.990 -3.246
H  -1.316 1.691 -2.749
H  0.947 -0.154 -3.138
H  -0.824 -0.444 -3.173
H  1.112 -1.328 -1.272
 18 
energy.map (17,2)
C 0.000 0.000 -2.554
C 0.091 -0.807 -1.274
C 0.000 0.000 0.000
C 0.710 1.327 -0.131
C 0.000 2.192 -1.144
C -0.248 1.494 -2.464
H  -0.720 -1.579 -1.266
H  0.446 -0.589 0.843
H  -1.077 0.183 0.258
H  0.729 1.849 0.861
H  1.773 1.158 -0.445
H  -0.984 2.515 -0.708
H  0.603 3.121 -1.322
H  0.385 1.988 -3.252
H  -1.316 1.690 -2.757
H  0.960 -0.153 -3.118
H  -0.809 -0.444 -3.195
H  1.063 -1.364 -1.276
 18 
energy.map (17,3)
C 0.000 0.000 -2.556
C 0.062 -0.807 -1.275
C 0.000 0.000 0.000
C 0.717 1.322 -0.143
C 0.000 2.189 -1.150
C -0.248 1.494 -2.471
H  -0.777 -1.551 -1.267
H  0.457 -0.592 0.835
H  -1.071 0.190 0.276
H  0.754 1.848 0.846
H  1.774 1.144 -0.471
H  -0.983 2.507 -0.710
H  0.598 3.121 -1.326
H  0.385 1.987 -3.259
H  -1.317 1.690 -2.766
H  0.974 -0.152 -3.099
H  -0.793 -0.443 -3.216
H  1.013 -1.401 -1.279
 18 
energy.map (18,0)
C 0.000 0.000 -2.559
C 0.033 -0.808 -1.277
C 0.000 0.000 0.000
C 0.724 1.317 -0.155
C 0.000 2.186 -1.155
C -0.249 1.493 -2.478
H  -0.833 -1.523 -1.268
H  0.467 -0.595 0.828
H  -1.065 0.198 0.295
H  0.780 1.846 0.831
H  1.775 1.130 -0.498
H  -0.983 2.500 -0.712
H  0.593 3.121 -1.330
H  0.385 1.985 -3.265
H  -1.317 1.689 -2.774
H  0.987 -0.151 -3.079
H  -0.778 -0.443 -3.238
H  0.964 -1.437 -1.282
 18 
energy.map (18,1)
C 0.000 0.000 -2.562
C -0.001 -0.804 -1.279
C 0.000 0.000 0.000
C 0.731 1.311 -0.170
C 0.000 2.182 -1.163
C -0.248 1.494 -2.489
H  -0.894 -1.480 -1.270
H  0.479 -0.600 0.817
H  -1.056 0.207 0.318
H  0.803 1.842 0.814
H  1.776 1.117 -0.526
H  -0.983 2.490 -0.716
H  0.588 3.121 -1.335
H  0.389 1.983 -3.275
H  -1.315 1.691 -2.787
H  1.000 -0.152 -3.054
H  -0.760 -0.444 -3.259
H  0.900 -1.471 -1.285
 18 
energy.map (18,2)
C 0.000 0.000 -2.564
C -0.035 -0.801 -1.281
C 0.000 0.000 0.000
C 0.738 1.306 -0.185
C 0.000 2.178 -1.171
C -0.248 1.494 -2.500
H  -0.956 -1.438 -1.272
H  0.492 -0.605 0.805
H  -1.046 0.215 0.341
H  0.826 1.839 0.797
H  1.777 1.103 -0.553
H  -0.983 2.480 -0.720
H  0.583 3.121 -1.340
H  0.393 1.980 -3.284
H  -1.313 1.693 -2.800
H  1.013 -0.154 -3.029
H  -0.742 -0.445 -3.279
H  0.835 -1.506 -1.288
 18 
energy.map (18,3)
C 0.000 0.000 -2.567
C -0.068 -0.797 -1.282
C 0.000 0.000 0.000
C 0.745 1.300 -0.199
C 0.000 2.174 -1.179
C -0.247 1.495 -2.510
H  -1.017 -1.395 -1.274
H  0.504 -0.611 0.794
H  -1.037 0.224 0.364
H  0.848 1.835 0.780
H  1.777 1.090 -0.581
H  -0.983 2.469 -0.725
H  0.578 3.121 -1.345
H  0.397 1.978 -3.294
H  -1.311 1.694 -2.812
H  1.025 -0.155 -3.004
H  -0.724 -0.446 -3.300
H  0.771 -1.540 -1.291
 18 
energy.map (19,0)
C 0.000 0.000 -2.569
C -0.102 -0.793 -1.284
C 0.000 0.000 0.000
C 0.752 1.294 -0.214
C 0.000 2.170 -1.187
C -0.246 1.495 -2.521
H  -1.078 -1.352 -1.276
H  0.516 -0.616 0.782
H  -1.027 0.232 0.387
H  0.871 1.831 0.763
H  1.778 1.076 -0.608
H  -0.983 2.459 -0.729
H  0.573 3.121 -1.350
H  0.401 1.975 -3.303
H  -1.309 1.696 -2.825
H  1.038 -0.156 -2.979
H  -0.706 -0.447 -3.320
H  0.706 -1.574 -1.294
 18 
energy.map (19,1)
C 0.000 0.000 -2.566
C -0.100 -0.796 -1.282
C 0.000 0.000 0.000
C 0.753 1.294 -0.213
C 0.000 2.171 -1.185
C -0.261 1.492 -2.514
H  -1.075 -1.357 -1.274
H  0.514 -0.615 0.784
H  -1.028 0.233 0.384
H  0.874 1.830 0.764
H  1.779 1.075 -0.609
H  -0.978 2.469 -0.721
H  0.579 3.116 -1.357
H  0.366 1.979 -3.307
H  -1.331 1.681 -2.799
H  1.041 -0.144 -2.972
H  -0.698 -0.452 -3.321
H  0.710 -1.574 -1.293
 18 
energy.map (19,2)
C 0.000 0.000 -2.563
C -0.099 -0.799 -1.281
C 0.000 0.000 0.000
C 0.754 1.293 -0.212
C 0.000 2.172 -1.182
C -0.277 1.489 -2.506
H  -1.072 -1.362 -1.271
H  0.511 -0.615 0.787
H  -1.029 0.235 0.381
H  0.877 1.828 0.765
H  1.779 1.074 -0.610
H  -0.972 2.480 -0.713
H  0.585 3.112 -1.363
H  0.331 1.982 -3.310
H  -1.353 1.665 -2.773
H  1.044 -0.133 -2.964
H  -0.690 -0.456 -3.323
H  0.714 -1.575 -1.292
 18 
energy.map (19,3)
C 0.000 0.000 -2.559
C -0.097 -0.801 -1.279
C 0.000 0.000 0.000
C 0.755 1.293 -0.211
C 0.000 2.173 -1.180
C -0.292 1.486 -2.499
H  -1.068 -1.366 -1.269
H  0.509 -0.614 0.789
H  -1.030 0.236 0.378
H  0.880 1.827 0.766
H  1.780 1.073 -0.611
H  -0.966 2.490 -0.705
H  0.591 3.107 -1.370
H  0.296 1.986 -3.314
H  -1.375 1.650 -2.747
H  1.047 -0.121 -2.957
H  -0.682 -0.461 -3.324
H  0.718 -1.575 -1.290
 18 
energy.map (20,0)
C 0.000 0.000 -2.556
C -0.095 -0.804 -1.277
C 0.000 0.000 0.000
C 0.756 1.292 -0.210
C 0.000 2.174 -1.177
C -0.307 1.483 -2.491
H  -1.065 -1.371 -1.266
H  0.506 -0.613 0.791
H  -1.031 0.237 0.375
H  0.883 1.825 0.767
H  1.780 1.072 -0.612
H  -0.961 2.500 -0.697
H  0.597 3.102 -1.376
H  0.261 1.989 -3.317
H  -1.397 1.634 -2.721
H  1.050 -0.109 -2.949
H  -0.674 -0.465 -3.325
H  0.722 -1.575 -1.289
 18 
energy.map (20,1)
C 0.000 0.000 -2.553
C -0.054 -0.809 -1.275
C 0.000 0.000 0.000
C 0.748 1.298 -0.201
C 0.000 2.178 -1.177
C -0.339 1.473 -2.474
H  -0.991 -1.420 -1.264
H  0.494 -0.604 0.805
H  -1.041 0.227 0.349
H  0.860 1.832 0.777
H  1.778 1.084 -0.590
H  -0.947 2.534 -0.694
H  0.615 3.088 -1.397
H  0.181 1.991 -3.320
H  -1.437 1.595 -2.659
H  1.043 -0.085 -2.965
H  -0.678 -0.477 -3.311
H  0.798 -1.533 -1.285
 18 
energy.map (20,2)
C 0.000 0.000 -2.550
C -0.013 -0.813 -1.273
C 0.000 0.000 0.000
C 0.740 1.305 -0.193
C 0.000 2.182 -1.177
C -0.370 1.464 -2.457
H  -0.917 -1.470 -1.263
H  0.481 -0.595 0.819
H  -1.051 0.218 0.322
H  0.837 1.838 0.788
H  1.775 1.096 -0.568
H  -0.933 2.567 -0.691
H  0.633 3.073 -1.419
H  0.101 1.993 -3.322
H  -1.477 1.555 -2.598
H  1.037 -0.062 -2.981
H  -0.681 -0.489 -3.297
H  0.874 -1.492 -1.281
 18 
energy.map (20,3)
C 0.000 0.000 -2.547
C 0.028 -0.818 -1.270
C 0.000 0.000 0.000
C 0.731 1.311 -0.184
C 0.000 2.185 -1.176
C -0.402 1.454 -2.440
H  -0.843 -1.519 -1.261
H  0.469 -0.585 0.832
H  -1.061 0.208 0.296
H  0.814 1.845 0.798
H  1.773 1.107 -0.546
H  -0.919 2.601 -0.687
H  0.650 3.059 -1.440
H  0.021 1.994 -3.325
H  -1.516 1.516 -2.536
H  1.030 -0.039 -2.997
H  -0.685 -0.500 -3.283
H  0.950 -1.450 -1.277
 18 
energy.map (21,0)
C 0.000 0.000 -2.544
C 0.069 -0.822 -1.268
C 0.000 0.000 0.000
C 0.723 1.317 -0.175
C 0.000 2.189 -1.176
C -0.433 1.444 -2.423
H  -0.769 -1.568 -1.259
H  0.456 -0.576 0.846
H  -1.071 0.198 0.269
H  0.791 1.851 0.808
H  1.770 1.119 -0.524
H  -0.905 2.634 -0.684
H  0.668 3.044 -1.461
H  -0.059 1.996 -3.327
H  -1.556 1.476 -2.474
H  1.023 -0.015 -3.013
H  -0.688 -0.512 -3.269
H  1.026 -1.408 -1.273
 18 
energy.map (21,1)
C 0.000 0.000 -2.543
C 0.075 -0.822 -1.268
C 0.000 0.000 0.000
C 0.719 1.319 -0.174
C 0.000 2.189 -1.179
C -0.449 1.438 -2.417
H  -0.758 -1.574 -1.259
H  0.456 -0.574 0.847
H  -1.072 0.194 0.266
H  0.780 1.854 0.810
H  1.768 1.126 -0.518
H  -0.897 2.650 -0.687
H  0.676 3.033 -1.476
H  -0.100 1.993 -3.328
H  -1.572 1.455 -2.445
H  1.023 -0.002 -3.011
H  -0.681 -0.518 -3.270
H  1.036 -1.402 -1.272
 18 
energy.map (21,2)
C 0.000 0.000 -2.541
C 0.081 -0.823 -1.269
C 0.000 0.000 0.000
C 0.714 1.322 -0.172
C 0.000 2.189 -1.183
C -0.466 1.432 -2.411
H  -0.746 -1.581 -1.259
H  0.456 -0.573 0.849
H  -1.074 0.191 0.263
H  0.770 1.858 0.811
H  1.767 1.133 -0.511
H  -0.889 2.665 -0.691
H  0.684 3.023 -1.490
H  -0.141 1.990 -3.329
H  -1.589 1.434 -2.416
H  1.024 0.011 -3.008
H  -0.675 -0.523 -3.271
H  1.045 -1.397 -1.272
 18 
energy.map (21,3)
C 0.000 0.000 -2.540
C 0.086 -0.823 -1.269
C 0.000 0.000 0.000
C 0.710 1.324 -0.171
C 0.000 2.189 -1.186
C -0.482 1.426 -2.405
H  -0.735 -1.587 -1.259
H  0.455 -0.571 0.851
H  -1.075 0.187 0.260
H  0.759 1.861 0.813
H  1.765 1.139 -0.504
H  -0.880 2.681 -0.694
H  0.692 3.012 -1.505
H  -0.182 1.986 -3.330
H  -1.605 1.413 -2.386
H  1.024 0.024 -3.006
H  -0.668 -0.529 -3.272
H  1.055 -1.391 -1.271
 18 
energy.map (22,0)
C 0.000 0.000 -2.538
C 0.092 -0.823 -1.269
C 0.000 0.000 0.000
C 0.706 1.326 -0.169
C 0.000 2.189 -1.189
C -0.498 1.420 -2.399
H  -0.724 -1.593 -1.259
H  0.455 -0.569 0.852
H  -1.076 0.183 0.257
H  0.748 1.864 0.814
H  1.763 1.146 -0.498
H  -0.872 2.696 -0.697
H  0.700 3.001 -1.519
H  -0.223 1.983 -3.331
H  -1.621 1.392 -2.357
H  1.024 0.037 -3.003
H  -0.661 -0.534 -3.273
H  1.064 -1.385 -1.270
 18 
energy.map (22,1)
C 0.000 0.000 -2.540
C 0.059 -0.823 -1.269
C 0.000 0.000 0.000
C 0.713 1.321 -0.182
C 0.000 2.186 -1.196
C -0.499 1.421 -2.408
H  -0.786 -1.557 -1.260
H  0.467 -0.573 0.842
H  -1.068 0.192 0.279
H  0.770 1.862 0.798
H  1.765 1.133 -0.523
H  -0.872 2.689 -0.699
H  0.697 3.001 -1.526
H  -0.220 1.982 -3.339
H  -1.622 1.395 -2.370
H  1.034 0.037 -2.978
H  -0.644 -0.533 -3.290
H  1.004 -1.423 -1.273
 18 
energy.map (22,2)
C 0.000 0.000 -2.541
C 0.025 -0.822 -1.270
C 0.000 0.000 0.000
C 0.720 1.315 -0.195
C 0.000 2.183 -1.203
C -0.500 1.422 -2.416
H  -0.849 -1.521 -1.261
H  0.479 -0.577 0.833
H  -1.061 0.202 0.301
H  0.793 1.859 0.783
H  1.767 1.119 -0.548
H  -0.871 2.682 -0.702
H  0.694 3.001 -1.533
H  -0.217 1.981 -3.348
H  -1.624 1.398 -2.382
H  1.045 0.037 -2.953
H  -0.626 -0.531 -3.306
H  0.945 -1.460 -1.276
 18 
energy.map (22,3)
C 0.000 0.000 -2.543
C -0.009 -0.821 -1.270
C 0.000 0.000 0.000
C 0.727 1.310 -0.207
C 0.000 2.179 -1.209
C -0.502 1.422 -2.425
H  -0.911 -1.485 -1.261
H  0.490 -0.582 0.823
H  -1.053 0.211 0.323
H  0.815 1.857 0.767
H  1.768 1.106 -0.572
H  -0.871 2.675 -0.704
H  0.690 3.000 -1.540
H  -0.214 1.979 -3.356
H  -1.625 1.401 -2.395
H  1.055 0.036 -2.928
H  -0.609 -0.530 -3.323
H  0.885 -1.498 -1.278
 18 
energy.map (23,0)
C 0.000 0.000 -2.544
C -0.042 -0.821 -1.270
C 0.000 0.000 0.000
C 0.734 1.304 -0.220
C 0.000 2.176 -1.216
C -0.503 1.423 -2.433
H  -0.973 -1.449 -1.262
H  0.502 -0.586 0.813
H  -1.045 0.220 0.345
H  0.837 1.854 0.751
H  1.770 1.092 -0.597
H  -0.871 2.668 -0.706
H  0.687 3.000 -1.547
H  -0.211 1.978 -3.364
H  -1.626 1.404 -2.407
H  1.065 0.036 -2.903
H  -0.591 -0.528 -3.339
H  0.825 -1.535 -1.281
 18 
energy.map (23,1)
C 0.000 0.000 -2.542
C -0.044 -0.823 -1.270
C 0.000 0.000 0.000
C 0.734 1.304 -0.221
C 0.000 2.176 -1.218
C -0.516 1.417 -2.426
H  -0.976 -1.448 -1.262
H  0.503 -0.585 0.813
H  -1.045 0.221 0.346
H  0.835 1.855 0.750
H  1.770 1.091 -0.596
H  -0.864 2.676 -0.705
H  0.691 2.993 -1.557
H  -0.244 1.974 -3.362
H  -1.637 1.388 -2.382
H  1.067 0.046 -2.895
H  -0.583 -0.530 -3.341
H  0.822 -1.538 -1.281
 18 
energy.map (23,2)
C 0.000 0.000 -2.539
C -0.046 -0.825 -1.270
C 0.000 0.000 0.000
C 0.733 1.305 -0.222
C 0.000 2.175 -1.220
C -0.529 1.412 -2.420
H  -0.980 -1.448 -1.261
H  0.504 -0.584 0.813
H  -1.044 0.221 0.347
H  0.832 1.855 0.750
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H  -0.277 1.970 -3.359
H  -1.649 1.371 -2.358
H  1.068 0.056 -2.887
H  -0.574 -0.532 -3.344
H  0.819 -1.542 -1.280
 18 
energy.map (23,3)
C 0.000 0.000 -2.537
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C 0.000 0.000 0.000
C 0.732 1.305 -0.223
C 0.000 2.175 -1.222
C -0.541 1.406 -2.413
H  -0.983 -1.447 -1.261
H  0.506 -0.583 0.813
H  -1.044 0.222 0.348
H  0.829 1.856 0.749
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H  -0.850 2.691 -0.703
H  0.698 2.978 -1.576
H  -0.310 1.965 -3.357
H  -1.660 1.355 -2.333
H  1.070 0.067 -2.878
H  -0.566 -0.534 -3.346
H  0.815 -1.545 -1.280
 18 
energy.map (24,0)
C 0.000 0.000 -2.534
C -0.049 -0.828 -1.269
C 0.000 0.000 0.000
C 0.732 1.305 -0.224
C 0.000 2.174 -1.224
C -0.554 1.400 -2.406
H  -0.986 -1.446 -1.260
H  0.507 -0.582 0.813
H  -1.043 0.222 0.349
H  0.827 1.856 0.748
H  1.769 1.089 -0.593
H  -0.843 2.699 -0.702
H  0.702 2.971 -1.586
H  -0.343 1.961 -3.354
H  -1.671 1.338 -2.308
H  1.071 0.077 -2.870
H  -0.557 -0.536 -3.348
H  0.812 -1.548 -1.279
 18 
energy.map (24,1)
C 0.000 0.000 -2.529
C -0.018 -0.832 -1.266
C 0.000 0.000 0.000
C 0.724 1.311 -0.213
C 0.000 2.175 -1.223
C -0.577 1.388 -2.383
H  -0.930 -1.482 -1.257
H  0.495 -0.577 0.823
H  -1.051 0.213 0.328
H  0.806 1.861 0.760
H  1.768 1.102 -0.569
H  -0.829 2.725 -0.707
H  0.712 2.950 -1.608
H  -0.412 1.952 -3.335
H  -1.686 1.302 -2.246
H  1.064 0.098 -2.879
H  -0.559 -0.542 -3.338
H  0.867 -1.518 -1.276
 18 
energy.map (24,2)
C 0.000 0.000 -2.524
C 0.013 -0.836 -1.264
C 0.000 0.000 0.000
C 0.717 1.317 -0.202
C 0.000 2.176 -1.222
C -0.601 1.376 -2.360
H  -0.874 -1.518 -1.254
H  0.483 -0.572 0.834
H  -1.059 0.204 0.306
H  0.785 1.865 0.773
H  1.766 1.115 -0.545
H  -0.815 2.750 -0.712
H  0.722 2.928 -1.630
H  -0.480 1.942 -3.317
H  -1.701 1.266 -2.184
H  1.056 0.119 -2.888
H  -0.561 -0.548 -3.327
H  0.923 -1.488 -1.273
 18 
energy.map (24,3)
C 0.000 0.000 -2.519
C 0.044 -0.840 -1.261
C 0.000 0.000 0.000
C 0.710 1.322 -0.191
C 0.000 2.176 -1.221
C -0.624 1.363 -2.337
H  -0.818 -1.554 -1.250
H  0.471 -0.566 0.845
H  -1.067 0.195 0.285
H  0.763 1.870 0.785
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H  -0.801 2.776 -0.716
H  0.732 2.907 -1.651
H  -0.549 1.933 -3.298
H  -1.715 1.230 -2.121
H  1.049 0.139 -2.897
H  -0.562 -0.554 -3.317
H  0.978 -1.457 -1.269
 18 
energy.map (25,0)
C 0.000 0.000 -2.514
C 0.075 -0.844 -1.258
C 0.000 0.000 0.000
C 0.702 1.328 -0.180
C 0.000 2.177 -1.220
C -0.647 1.351 -2.314
H  -0.762 -1.590 -1.247
H  0.459 -0.561 0.855
H  -1.075 0.186 0.263
H  0.742 1.874 0.797
H  1.763 1.141 -0.496
H  -0.787 2.801 -0.721
H  0.742 2.885 -1.673
H  -0.617 1.923 -3.279
H  -1.730 1.194 -2.059
H  1.041 0.160 -2.906
H  -0.564 -0.560 -3.306
H  1.033 -1.427 -1.266
 18 
energy.map (25,1)
C 0.000 0.000 -2.514
C 0.078 -0.845 -1.257
C 0.000 0.000 0.000
C 0.696 1.331 -0.180
C 0.000 2.176 -1.228
C -0.661 1.344 -2.308
H  -0.757 -1.593 -1.247
H  0.462 -0.558 0.855
H  -1.076 0.181 0.264
H  0.723 1.880 0.796
H  1.760 1.150 -0.487
H  -0.778 2.816 -0.736
H  0.749 2.869 -1.692
H  -0.655 1.913 -3.273
H  -1.737 1.176 -2.033
H  1.040 0.171 -2.902
H  -0.557 -0.564 -3.308
H  1.038 -1.425 -1.265
 18 
energy.map (25,2)
C 0.000 0.000 -2.514
C 0.081 -0.846 -1.257
C 0.000 0.000 0.000
C 0.689 1.334 -0.180
C 0.000 2.176 -1.236
C -0.675 1.336 -2.301
H  -0.752 -1.597 -1.246
H  0.465 -0.554 0.856
H  -1.077 0.176 0.265
H  0.703 1.887 0.795
H  1.757 1.159 -0.477
H  -0.770 2.831 -0.750
H  0.756 2.853 -1.711
H  -0.692 1.904 -3.267
H  -1.744 1.159 -2.007
H  1.039 0.183 -2.899
H  -0.550 -0.567 -3.310
H  1.043 -1.422 -1.264
 18 
energy.map (25,3)
C 0.000 0.000 -2.513
C 0.084 -0.847 -1.256
C 0.000 0.000 0.000
C 0.683 1.337 -0.179
C 0.000 2.175 -1.243
C -0.689 1.329 -2.295
H  -0.746 -1.600 -1.246
H  0.468 -0.551 0.857
H  -1.077 0.170 0.266
H  0.684 1.893 0.793
H  1.754 1.167 -0.468
H  -0.761 2.845 -0.765
H  0.762 2.836 -1.730
H  -0.730 1.894 -3.261
H  -1.750 1.141 -1.980
H  1.038 0.194 -2.895
H  -0.542 -0.571 -3.312
H  1.048 -1.420 -1.262
 18 
energy.map (26,0)
C 0.000 0.000 -2.513
C 0.087 -0.848 -1.255
C 0.000 0.000 0.000
C 0.676 1.340 -0.179
C 0.000 2.174 -1.251
C -0.703 1.321 -2.288
H  -0.741 -1.603 -1.245
H  0.471 -0.547 0.857
H  -1.078 0.165 0.267
H  0.664 1.899 0.792
H  1.751 1.176 -0.458
H  -0.752 2.860 -0.779
H  0.769 2.820 -1.749
H  -0.767 1.884 -3.255
H  -1.757 1.123 -1.954
H  1.037 0.205 -2.891
H  -0.535 -0.574 -3.314
H  1.053 -1.417 -1.261
 18 
energy.map (26,1)
C 0.000 0.000 -2.516
C 0.080 -0.845 -1.257
C 0.000 0.000 0.000
C 0.677 1.339 -0.181
C 0.000 2.174 -1.251
C -0.699 1.324 -2.294
H  -0.753 -1.596 -1.247
H  0.474 -0.550 0.853
H  -1.077 0.167 0.271
H  0.671 1.899 0.790
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H  -0.754 2.856 -0.777
H  0.768 2.825 -1.746
H  -0.754 1.887 -3.261
H  -1.755 1.128 -1.966
H  1.039 0.201 -2.891
H  -0.535 -0.573 -3.318
H  1.042 -1.422 -1.263
 18 
energy.map (26,2)
C 0.000 0.000 -2.520
C 0.074 -0.843 -1.259
C 0.000 0.000 0.000
C 0.679 1.339 -0.183
C 0.000 2.174 -1.251
C -0.695 1.326 -2.299
H  -0.765 -1.588 -1.249
H  0.477 -0.553 0.850
H  -1.075 0.169 0.276
H  0.678 1.898 0.788
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H  -0.757 2.852 -0.776
H  0.766 2.830 -1.742
H  -0.742 1.890 -3.267
H  -1.754 1.134 -1.979
H  1.041 0.197 -2.891
H  -0.536 -0.572 -3.321
H  1.032 -1.426 -1.265
 18 
energy.map (26,3)
C 0.000 0.000 -2.523
C 0.067 -0.841 -1.260
C 0.000 0.000 0.000
C 0.680 1.338 -0.185
C 0.000 2.174 -1.251
C -0.690 1.329 -2.305
H  -0.776 -1.581 -1.250
H  0.480 -0.556 0.847
H  -1.074 0.171 0.280
H  0.684 1.898 0.785
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H  -0.759 2.848 -0.774
H  0.765 2.834 -1.739
H  -0.729 1.893 -3.272
H  -1.752 1.139 -1.991
H  1.043 0.192 -2.891
H  -0.536 -0.571 -3.325
H  1.021 -1.431 -1.267
 18 
energy.map (27,0)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
H  0.691 1.897 0.783
H  1.751 1.159 -0.479
H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
H  -0.716 1.896 -3.278
H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (27,1)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
H  0.691 1.897 0.783
H  1.751 1.159 -0.479
H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
H  -0.716 1.896 -3.278
H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (27,2)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
H  0.691 1.897 0.783
H  1.751 1.159 -0.479
H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
H  -0.716 1.896 -3.278
H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (27,3)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
H  0.691 1.897 0.783
H  1.751 1.159 -0.479
H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
H  -0.716 1.896 -3.278
H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (28,0)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
H  0.691 1.897 0.783
H  1.751 1.159 -0.479
H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
H  -0.716 1.896 -3.278
H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (28,1)
C 0.000 0.000 -2.526
C 0.043 -0.838 -1.262
C 0.000 0.000 0.000
C 0.682 1.337 -0.192
C 0.000 2.175 -1.254
C -0.680 1.335 -2.318
H  -0.820 -1.554 -1.253
H  0.493 -0.559 0.837
H  -1.068 0.175 0.297
H  0.696 1.897 0.778
H  1.751 1.158 -0.488
H  -0.765 2.840 -0.774
H  0.762 2.845 -1.733
H  -0.698 1.899 -3.287
H  -1.748 1.155 -2.020
H  1.050 0.182 -2.881
H  -0.531 -0.568 -3.333
H  0.978 -1.456 -1.271
 18 
energy.map (28,2)
C 0.000 0.000 -2.526
C 0.027 -0.839 -1.263
C 0.000 0.000 0.000
C 0.684 1.336 -0.197
C 0.000 2.176 -1.258
C -0.675 1.339 -2.326
H  -0.852 -1.535 -1.253
H  0.502 -0.560 0.831
H  -1.064 0.177 0.309
H  0.702 1.897 0.773
H  1.751 1.157 -0.496
H  -0.768 2.837 -0.776
H  0.761 2.852 -1.730
H  -0.681 1.901 -3.296
H  -1.746 1.165 -2.038
H  1.054 0.177 -2.870
H  -0.526 -0.566 -3.338
H  0.947 -1.478 -1.273
 18 
energy.map (28,3)
C 0.000 0.000 -2.526
C 0.010 -0.839 -1.263
C 0.000 0.000 0.000
C 0.685 1.336 -0.202
C 0.000 2.176 -1.261
C -0.669 1.342 -2.333
H  -0.884 -1.516 -1.254
H  0.512 -0.560 0.825
H  -1.060 0.179 0.322
H  0.707 1.896 0.768
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H  -0.772 2.833 -0.778
H  0.759 2.858 -1.728
H  -0.663 1.904 -3.304
H  -1.743 1.176 -2.055
H  1.059 0.171 -2.860
H  -0.521 -0.563 -3.343
H  0.915 -1.499 -1.274
 18 
energy.map (29,0)
C 0.000 0.000 -2.526
C -0.007 -0.839 -1.263
C 0.000 0.000 0.000
C 0.686 1.335 -0.207
C 0.000 2.177 -1.264
C -0.663 1.346 -2.341
H  -0.916 -1.497 -1.254
H  0.522 -0.560 0.819
H  -1.056 0.181 0.334
H  0.712 1.896 0.763
H  1.751 1.154 -0.513
H  -0.775 2.829 -0.780
H  0.758 2.864 -1.725
H  -0.645 1.906 -3.313
H  -1.741 1.186 -2.072
H  1.063 0.165 -2.849
H  -0.516 -0.561 -3.348
H  0.883 -1.520 -1.276
 18 
energy.map (29,1)
C 0.000 0.000 -2.525
C -0.022 -0.838 -1.263
C 0.000 0.000 0.000
C 0.689 1.333 -0.210
C 0.000 2.177 -1.263
C -0.658 1.350 -2.346
H  -0.941 -1.481 -1.254
H  0.524 -0.564 0.815
H  -1.052 0.185 0.343
H  0.720 1.894 0.760
H  1.752 1.149 -0.521
H  -0.778 2.823 -0.776
H  0.755 2.870 -1.720
H  -0.629 1.910 -3.317
H  -1.739 1.194 -2.086
H  1.066 0.160 -2.841
H  -0.512 -0.559 -3.352
H  0.858 -1.533 -1.275
 18 
energy.map (29,2)
C 0.000 0.000 -2.525
C -0.037 -0.837 -1.263
C 0.000 0.000 0.000
C 0.692 1.330 -0.212
C 0.000 2.177 -1.262
C -0.654 1.353 -2.351
H  -0.966 -1.465 -1.254
H  0.525 -0.568 0.812
H  -1.049 0.190 0.352
H  0.728 1.891 0.758
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H  -0.782 2.817 -0.772
H  0.752 2.876 -1.714
H  -0.613 1.914 -3.321
H  -1.737 1.202 -2.100
H  1.069 0.154 -2.832
H  -0.508 -0.556 -3.355
H  0.832 -1.546 -1.274
 18 
energy.map (29,3)
C 0.000 0.000 -2.524
C -0.051 -0.837 -1.263
C 0.000 0.000 0.000
C 0.694 1.328 -0.215
C 0.000 2.177 -1.260
C -0.649 1.357 -2.355
H  -0.992 -1.448 -1.253
H  0.527 -0.572 0.808
H  -1.045 0.194 0.360
H  0.737 1.889 0.755
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H  -0.785 2.810 -0.767
H  0.750 2.881 -1.709
H  -0.598 1.918 -3.324
H  -1.735 1.210 -2.114
H  1.072 0.149 -2.824
H  -0.504 -0.554 -3.359
H  0.807 -1.559 -1.273
 18 
energy.map (30,0)
C 0.000 0.000 -2.523
C -0.066 -0.836 -1.263
C 0.000 0.000 0.000
C 0.697 1.325 -0.217
C 0.000 2.177 -1.259
C -0.644 1.360 -2.360
H  -1.017 -1.432 -1.253
H  0.528 -0.576 0.804
H  -1.041 0.198 0.369
H  0.745 1.886 0.752
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H  -0.788 2.804 -0.763
H  0.747 2.887 -1.703
H  -0.582 1.922 -3.328
H  -1.733 1.218 -2.128
H  1.075 0.143 -2.815
H  -0.500 -0.551 -3.362
H  0.781 -1.572 -1.272
 18 
energy.map (30,1)
C 0.000 0.000 -2.524
C -0.075 -0.835 -1.263
C 0.000 0.000 0.000
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C 0.000 2.176 -1.257
C -0.640 1.363 -2.364
H  -1.031 -1.422 -1.254
H  0.530 -0.577 0.802
H  -1.038 0.203 0.373
H  0.761 1.883 0.747
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H  -0.791 2.795 -0.756
H  0.742 2.893 -1.697
H  -0.570 1.925 -3.331
H  -1.731 1.224 -2.139
H  1.077 0.139 -2.811
H  -0.499 -0.550 -3.364
H  0.765 -1.579 -1.273
 18 
energy.map (30,2)
C 0.000 0.000 -2.525
C -0.083 -0.835 -1.263
C 0.000 0.000 0.000
C 0.708 1.318 -0.226
C 0.000 2.175 -1.256
C -0.637 1.365 -2.367
H  -1.045 -1.411 -1.256
H  0.532 -0.579 0.800
H  -1.036 0.208 0.378
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H  -0.795 2.786 -0.750
H  0.738 2.900 -1.691
H  -0.558 1.928 -3.334
H  -1.729 1.230 -2.150
H  1.078 0.135 -2.807
H  -0.498 -0.549 -3.367
H  0.748 -1.586 -1.273
 18 
energy.map (30,3)
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C -0.092 -0.834 -1.263
C 0.000 0.000 0.000
C 0.714 1.314 -0.231
C 0.000 2.173 -1.254
C -0.633 1.368 -2.371
H  -1.059 -1.401 -1.257
H  0.533 -0.580 0.798
H  -1.033 0.212 0.382
H  0.792 1.876 0.736
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H  -0.798 2.776 -0.743
H  0.734 2.906 -1.684
H  -0.545 1.930 -3.336
H  -1.727 1.236 -2.160
H  1.080 0.130 -2.803
H  -0.496 -0.547 -3.369
H  0.732 -1.593 -1.274
 18 
energy.map (31,0)
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C -0.100 -0.833 -1.263
C 0.000 0.000 0.000
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C 0.000 2.172 -1.252
C -0.629 1.370 -2.374
H  -1.073 -1.390 -1.258
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 18 
energy.map (31,1)
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 18 
energy.map (31,2)
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 18 
energy.map (31,3)
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 18 
energy.map (32,0)
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 18 
energy.map (32,1)
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 18 
energy.map (32,2)
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 18 
energy.map (32,3)
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 18 
energy.map (33,0)
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 18 
energy.map (33,1)
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 18 
energy.map (33,2)
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 18 
energy.map (33,3)
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 18 
energy.map (34,0)
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 18 
energy.map (34,1)
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 18 
energy.map (34,2)
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 18 
energy.map (34,3)
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 18 
energy.map (35,0)
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 18 
energy.map (35,1)
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 18 
energy.map (35,2)
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 18 
energy.map (35,3)
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 18 
energy.map (36,0)
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 18 
energy.map (36,1)
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 18 
energy.map (36,2)
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 18 
energy.map (36,3)
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 18 
energy.map (37,0)
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 18 
energy.map (37,1)
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 18 
energy.map (37,2)
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 18 
energy.map (37,3)
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 18 
energy.map (38,0)
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 18 
energy.map (38,1)
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 18 
energy.map (38,2)
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H  -1.561 -0.805 -1.268
H  0.653 -0.676 0.612
H  -0.901 0.238 0.625
H  0.923 1.834 0.678
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H  1.115 -0.078 -2.622
H  -0.449 -0.509 -3.415
H  -0.028 -1.757 -1.274
 18 
energy.map (38,3)
C 0.000 0.000 -2.523
C -0.450 -0.711 -1.264
C 0.000 0.000 0.000
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C 0.000 2.179 -1.243
C -0.400 1.461 -2.521
H  -1.568 -0.791 -1.268
H  0.653 -0.677 0.611
H  -0.898 0.240 0.629
H  0.931 1.831 0.676
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H  -0.922 2.564 -0.732
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H  0.071 1.966 -3.404
H  -1.511 1.537 -2.657
H  1.115 -0.084 -2.623
H  -0.452 -0.508 -3.416
H  -0.044 -1.756 -1.273
 18 
energy.map (39,0)
C 0.000 0.000 -2.524
C -0.456 -0.706 -1.265
C 0.000 0.000 0.000
C 0.759 1.279 -0.288
C 0.000 2.178 -1.240
C -0.392 1.463 -2.521
H  -1.575 -0.777 -1.268
H  0.652 -0.679 0.609
H  -0.895 0.242 0.632
H  0.939 1.828 0.674
H  1.763 1.033 -0.725
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H  0.627 3.074 -1.484
H  0.089 1.967 -3.400
H  -1.502 1.546 -2.668
H  1.114 -0.091 -2.623
H  -0.455 -0.506 -3.416
H  -0.059 -1.755 -1.273
 18 
energy.map (39,1)
C 0.000 0.000 -2.525
C -0.457 -0.706 -1.265
C 0.000 0.000 0.000
C 0.764 1.276 -0.289
C 0.000 2.176 -1.236
C -0.385 1.464 -2.521
H  -1.576 -0.775 -1.269
H  0.649 -0.682 0.608
H  -0.895 0.246 0.631
H  0.950 1.823 0.674
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H  0.104 1.968 -3.396
H  -1.493 1.554 -2.676
H  1.113 -0.096 -2.626
H  -0.459 -0.504 -3.416
H  -0.063 -1.756 -1.274
 18 
energy.map (39,2)
C 0.000 0.000 -2.526
C -0.458 -0.705 -1.266
C 0.000 0.000 0.000
C 0.769 1.274 -0.289
C 0.000 2.174 -1.233
C -0.378 1.466 -2.521
H  -1.577 -0.773 -1.269
H  0.646 -0.686 0.607
H  -0.896 0.249 0.630
H  0.962 1.817 0.673
H  1.766 1.022 -0.737
H  -0.930 2.535 -0.719
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H  0.120 1.969 -3.391
H  -1.485 1.562 -2.683
H  1.113 -0.101 -2.628
H  -0.462 -0.502 -3.416
H  -0.067 -1.756 -1.275
 18 
energy.map (39,3)
C 0.000 0.000 -2.526
C -0.458 -0.704 -1.266
C 0.000 0.000 0.000
C 0.773 1.271 -0.290
C 0.000 2.172 -1.229
C -0.371 1.467 -2.521
H  -1.578 -0.771 -1.270
H  0.642 -0.689 0.607
H  -0.896 0.253 0.629
H  0.973 1.812 0.673
H  1.768 1.017 -0.743
H  -0.933 2.524 -0.714
H  0.611 3.085 -1.455
H  0.135 1.970 -3.387
H  -1.476 1.570 -2.691
H  1.112 -0.106 -2.631
H  -0.466 -0.499 -3.416
H  -0.070 -1.757 -1.276
 18 
energy.map (40,0)
C 0.000 0.000 -2.527
C -0.459 -0.704 -1.266
C 0.000 0.000 0.000
C 0.778 1.268 -0.290
C 0.000 2.170 -1.225
C -0.364 1.468 -2.521
H  -1.579 -0.769 -1.270
H  0.639 -0.692 0.606
H  -0.896 0.256 0.628
H  0.984 1.806 0.672
H  1.769 1.011 -0.749
H  -0.935 2.514 -0.709
H  0.606 3.088 -1.445
H  0.150 1.971 -3.382
H  -1.467 1.578 -2.698
H  1.111 -0.111 -2.633
H  -0.469 -0.497 -3.416
H  -0.074 -1.757 -1.277
 18 
energy.map (40,1)
C 0.000 0.000 -2.528
C -0.461 -0.702 -1.266
C 0.000 0.000 0.000
C 0.778 1.267 -0.292
C 0.000 2.171 -1.226
C -0.355 1.471 -2.525
H  -1.581 -0.764 -1.270
H  0.640 -0.693 0.605
H  -0.895 0.256 0.630
H  0.986 1.805 0.669
H  1.768 1.009 -0.752
H  -0.939 2.507 -0.712
H  0.603 3.091 -1.440
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H  -1.455 1.588 -2.715
H  1.110 -0.117 -2.634
H  -0.471 -0.496 -3.416
H  -0.076 -1.755 -1.277
 18 
energy.map (40,2)
C 0.000 0.000 -2.528
C -0.463 -0.700 -1.267
C 0.000 0.000 0.000
C 0.777 1.266 -0.295
C 0.000 2.171 -1.226
C -0.346 1.475 -2.530
H  -1.584 -0.760 -1.271
H  0.640 -0.694 0.605
H  -0.893 0.256 0.632
H  0.988 1.804 0.666
H  1.767 1.007 -0.756
H  -0.943 2.500 -0.714
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H  0.197 1.970 -3.378
H  -1.442 1.598 -2.731
H  1.110 -0.123 -2.635
H  -0.473 -0.496 -3.416
H  -0.079 -1.754 -1.277
 18 
energy.map (40,3)
C 0.000 0.000 -2.529
C -0.465 -0.698 -1.267
C 0.000 0.000 0.000
C 0.777 1.264 -0.297
C 0.000 2.172 -1.227
C -0.336 1.478 -2.534
H  -1.586 -0.755 -1.271
H  0.641 -0.694 0.604
H  -0.892 0.255 0.633
H  0.991 1.803 0.663
H  1.765 1.005 -0.760
H  -0.946 2.493 -0.716
H  0.597 3.098 -1.431
H  0.220 1.969 -3.376
H  -1.430 1.608 -2.748
H  1.109 -0.129 -2.636
H  -0.475 -0.495 -3.416
H  -0.081 -1.752 -1.276
 18 
energy.map (41,0)
C 0.000 0.000 -2.529
C -0.467 -0.696 -1.267
C 0.000 0.000 0.000
C 0.776 1.263 -0.299
C 0.000 2.172 -1.227
C -0.327 1.481 -2.538
H  -1.588 -0.750 -1.271
H  0.641 -0.695 0.603
H  -0.890 0.255 0.635
H  0.993 1.802 0.660
H  1.764 1.003 -0.763
H  -0.950 2.486 -0.719
H  0.594 3.101 -1.426
H  0.243 1.968 -3.374
H  -1.417 1.618 -2.764
H  1.108 -0.135 -2.637
H  -0.477 -0.494 -3.416
H  -0.083 -1.750 -1.276
 18 
energy.map (41,1)
C 0.000 0.000 -2.529
C -0.481 -0.686 -1.267
C 0.000 0.000 0.000
C 0.771 1.268 -0.293
C 0.000 2.174 -1.228
C -0.314 1.483 -2.543
H  -1.602 -0.715 -1.272
H  0.649 -0.698 0.590
H  -0.883 0.247 0.648
H  0.978 1.808 0.668
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H  -0.955 2.485 -0.729
H  0.593 3.105 -1.422
H  0.270 1.965 -3.371
H  -1.399 1.629 -2.784
H  1.107 -0.146 -2.630
H  -0.477 -0.491 -3.417
H  -0.123 -1.748 -1.276
 18 
energy.map (41,2)
C 0.000 0.000 -2.528
C -0.495 -0.675 -1.267
C 0.000 0.000 0.000
C 0.766 1.274 -0.287
C 0.000 2.176 -1.230
C -0.301 1.485 -2.548
H  -1.616 -0.681 -1.273
H  0.656 -0.702 0.577
H  -0.875 0.240 0.661
H  0.963 1.815 0.675
H  1.763 1.022 -0.736
H  -0.960 2.485 -0.740
H  0.592 3.109 -1.418
H  0.298 1.963 -3.368
H  -1.381 1.639 -2.804
H  1.107 -0.157 -2.622
H  -0.477 -0.489 -3.418
H  -0.163 -1.745 -1.276
 18 
energy.map (41,3)
C 0.000 0.000 -2.528
C -0.508 -0.665 -1.266
C 0.000 0.000 0.000
C 0.761 1.279 -0.281
C 0.000 2.178 -1.231
C -0.287 1.487 -2.553
H  -1.630 -0.646 -1.274
H  0.664 -0.706 0.564
H  -0.867 0.232 0.673
H  0.947 1.821 0.683
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H  -0.966 2.484 -0.750
H  0.591 3.112 -1.413
H  0.325 1.960 -3.365
H  -1.363 1.650 -2.824
H  1.106 -0.168 -2.615
H  -0.477 -0.486 -3.419
H  -0.203 -1.743 -1.275
 18 
energy.map (42,0)
C 0.000 0.000 -2.527
C -0.522 -0.654 -1.266
C 0.000 0.000 0.000
C 0.756 1.284 -0.275
C 0.000 2.180 -1.232
C -0.274 1.489 -2.558
H  -1.644 -0.611 -1.275
H  0.671 -0.709 0.551
H  -0.860 0.224 0.686
H  0.932 1.827 0.690
H  1.761 1.041 -0.710
H  -0.971 2.483 -0.760
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H  0.352 1.957 -3.362
H  -1.345 1.660 -2.844
H  1.105 -0.179 -2.607
H  -0.477 -0.483 -3.420
H  -0.243 -1.740 -1.275
 18 
energy.map (42,1)
C 0.000 0.000 -2.524
C -0.535 -0.646 -1.265
C 0.000 0.000 0.000
C 0.758 1.283 -0.275
C 0.000 2.179 -1.231
C -0.266 1.490 -2.559
H  -1.655 -0.583 -1.273
H  0.674 -0.714 0.541
H  -0.853 0.221 0.695
H  0.935 1.826 0.690
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H  -0.974 2.475 -0.761
H  0.585 3.119 -1.404
H  0.371 1.954 -3.357
H  -1.333 1.667 -2.856
H  1.104 -0.186 -2.596
H  -0.474 -0.482 -3.419
H  -0.273 -1.736 -1.272
 18 
energy.map (42,2)
C 0.000 0.000 -2.522
C -0.548 -0.638 -1.264
C 0.000 0.000 0.000
C 0.761 1.283 -0.276
C 0.000 2.178 -1.231
C -0.258 1.492 -2.561
H  -1.666 -0.555 -1.272
H  0.677 -0.718 0.531
H  -0.847 0.217 0.703
H  0.938 1.825 0.690
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H  -0.977 2.467 -0.762
H  0.579 3.123 -1.398
H  0.391 1.950 -3.353
H  -1.321 1.675 -2.867
H  1.104 -0.193 -2.585
H  -0.471 -0.482 -3.419
H  -0.304 -1.732 -1.269
 18 
energy.map (42,3)
C 0.000 0.000 -2.519
C -0.560 -0.630 -1.262
C 0.000 0.000 0.000
C 0.763 1.282 -0.276
C 0.000 2.177 -1.230
C -0.249 1.493 -2.562
H  -1.677 -0.526 -1.270
H  0.680 -0.723 0.520
H  -0.841 0.214 0.712
H  0.940 1.824 0.689
H  1.766 1.038 -0.712
H  -0.980 2.459 -0.762
H  0.573 3.126 -1.393
H  0.410 1.947 -3.348
H  -1.309 1.682 -2.879
H  1.103 -0.199 -2.573
H  -0.467 -0.481 -3.418
H  -0.334 -1.728 -1.265
 18 
energy.map (43,0)
C 0.000 0.000 -2.516
C -0.573 -0.622 -1.261
C 0.000 0.000 0.000
C 0.765 1.281 -0.276
C 0.000 2.176 -1.229
C -0.241 1.494 -2.563
H  -1.688 -0.498 -1.268
H  0.683 -0.728 0.510
H  -0.834 0.210 0.720
H  0.943 1.823 0.689
H  1.768 1.037 -0.713
H  -0.983 2.451 -0.763
H  0.568 3.129 -1.387
H  0.429 1.943 -3.343
H  -1.297 1.689 -2.890
H  1.102 -0.206 -2.562
H  -0.464 -0.480 -3.417
H  -0.364 -1.724 -1.262
 18 
energy.map (43,1)
C 0.000 0.000 -2.518
C -0.579 -0.617 -1.262
C 0.000 0.000 0.000
C 0.770 1.276 -0.282
C 0.000 2.173 -1.229
C -0.235 1.496 -2.567
H  -1.692 -0.480 -1.269
H  0.681 -0.732 0.507
H  -0.831 0.216 0.721
H  0.957 1.819 0.682
H  1.769 1.028 -0.725
H  -0.985 2.439 -0.763
H  0.562 3.131 -1.382
H  0.443 1.942 -3.342
H  -1.287 1.696 -2.901
H  1.101 -0.211 -2.562
H  -0.465 -0.480 -3.418
H  -0.382 -1.721 -1.265
 18 
energy.map (43,2)
C 0.000 0.000 -2.519
C -0.584 -0.611 -1.262
C 0.000 0.000 0.000
C 0.775 1.272 -0.287
C 0.000 2.170 -1.230
C -0.228 1.498 -2.572
H  -1.696 -0.462 -1.270
H  0.679 -0.736 0.504
H  -0.829 0.223 0.722
H  0.972 1.814 0.675
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H  -0.987 2.427 -0.763
H  0.556 3.132 -1.377
H  0.458 1.941 -3.341
H  -1.278 1.702 -2.912
H  1.100 -0.217 -2.562
H  -0.467 -0.480 -3.419
H  -0.400 -1.717 -1.268
 18 
energy.map (43,3)
C 0.000 0.000 -2.521
C -0.589 -0.605 -1.263
C 0.000 0.000 0.000
C 0.779 1.267 -0.293
C 0.000 2.167 -1.230
C -0.222 1.499 -2.576
H  -1.699 -0.444 -1.270
H  0.676 -0.741 0.502
H  -0.827 0.229 0.722
H  0.986 1.810 0.667
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H  -0.989 2.414 -0.762
H  0.549 3.134 -1.371
H  0.472 1.939 -3.339
H  -1.268 1.709 -2.923
H  1.098 -0.222 -2.561
H  -0.468 -0.479 -3.419
H  -0.418 -1.714 -1.270
 18 
energy.map (44,0)
C 0.000 0.000 -2.522
C -0.595 -0.600 -1.263
C 0.000 0.000 0.000
C 0.784 1.262 -0.298
C 0.000 2.164 -1.230
C -0.215 1.501 -2.580
H  -1.703 -0.426 -1.271
H  0.674 -0.745 0.499
H  -0.824 0.235 0.723
H  1.001 1.805 0.660
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H  -0.991 2.402 -0.762
H  0.543 3.135 -1.366
H  0.486 1.938 -3.338
H  -1.258 1.715 -2.934
H  1.097 -0.227 -2.561
H  -0.469 -0.479 -3.420
H  -0.436 -1.710 -1.273
 18 
energy.map (44,1)
C 0.000 0.000 -2.519
C -0.609 -0.587 -1.262
C 0.000 0.000 0.000
C 0.778 1.268 -0.292
C 0.000 2.167 -1.231
C -0.201 1.503 -2.584
H  -1.712 -0.388 -1.270
H  0.682 -0.748 0.481
H  -0.815 0.223 0.736
H  0.983 1.811 0.668
H  1.769 1.013 -0.748
H  -0.995 2.404 -0.772
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H  0.515 1.932 -3.331
H  -1.236 1.727 -2.953
H  1.095 -0.237 -2.549
H  -0.467 -0.478 -3.419
H  -0.476 -1.700 -1.269
 18 
energy.map (44,2)
C 0.000 0.000 -2.516
C -0.623 -0.575 -1.260
C 0.000 0.000 0.000
C 0.772 1.273 -0.286
C 0.000 2.169 -1.233
C -0.187 1.504 -2.587
H  -1.722 -0.351 -1.269
H  0.691 -0.752 0.463
H  -0.807 0.211 0.748
H  0.966 1.817 0.676
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H  -1.000 2.406 -0.783
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H  -1.214 1.738 -2.972
H  1.093 -0.247 -2.538
H  -0.466 -0.477 -3.417
H  -0.516 -1.689 -1.264
 18 
energy.map (44,3)
C 0.000 0.000 -2.512
C -0.637 -0.562 -1.259
C 0.000 0.000 0.000
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C 0.000 2.172 -1.234
C -0.173 1.506 -2.591
H  -1.731 -0.313 -1.267
H  0.699 -0.755 0.445
H  -0.798 0.198 0.761
H  0.949 1.823 0.684
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H  0.574 1.921 -3.316
H  -1.191 1.750 -2.990
H  1.091 -0.257 -2.526
H  -0.464 -0.476 -3.416
H  -0.556 -1.679 -1.260
 18 
energy.map (45,0)
C 0.000 0.000 -2.509
C -0.651 -0.549 -1.257
C 0.000 0.000 0.000
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C 0.000 2.174 -1.235
C -0.159 1.507 -2.594
H  -1.740 -0.275 -1.266
H  0.707 -0.758 0.427
H  -0.789 0.186 0.774
H  0.931 1.829 0.692
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H  0.603 1.915 -3.308
H  -1.169 1.761 -3.009
H  1.089 -0.267 -2.514
H  -0.462 -0.475 -3.414
H  -0.596 -1.668 -1.255
 18 
energy.map (45,1)
C 0.000 0.000 -2.508
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C 0.000 0.000 0.000
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C 0.000 2.177 -1.239
C -0.140 1.508 -2.597
H  -1.745 -0.237 -1.264
H  0.718 -0.760 0.403
H  -0.781 0.168 0.785
H  0.892 1.842 0.707
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H  0.640 1.905 -3.297
H  -1.138 1.771 -3.033
H  1.086 -0.280 -2.505
H  -0.463 -0.473 -3.413
H  -0.630 -1.654 -1.254
 18 
energy.map (45,2)
C 0.000 0.000 -2.506
C -0.676 -0.520 -1.256
C 0.000 0.000 0.000
C 0.732 1.305 -0.247
C 0.000 2.181 -1.243
C -0.121 1.509 -2.600
H  -1.750 -0.199 -1.262
H  0.728 -0.763 0.380
H  -0.773 0.150 0.797
H  0.852 1.855 0.722
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H  0.676 1.896 -3.286
H  -1.107 1.782 -3.057
H  1.082 -0.294 -2.495
H  -0.464 -0.471 -3.412
H  -0.664 -1.640 -1.253
 18 
energy.map (45,3)
C 0.000 0.000 -2.505
C -0.689 -0.506 -1.256
C 0.000 0.000 0.000
C 0.718 1.315 -0.233
C 0.000 2.184 -1.246
C -0.102 1.509 -2.603
H  -1.755 -0.160 -1.260
H  0.738 -0.765 0.356
H  -0.764 0.131 0.808
H  0.813 1.868 0.736
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H  -1.029 2.414 -0.865
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H  0.713 1.886 -3.275
H  -1.075 1.792 -3.080
H  1.079 -0.307 -2.486
H  -0.465 -0.468 -3.410
H  -0.697 -1.625 -1.252
 18 
energy.map (46,0)
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 18 
energy.map (46,1)
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 18 
energy.map (46,2)
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 18 
energy.map (46,3)
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 18 
energy.map (47,0)
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 18 
energy.map (47,1)
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 18 
energy.map (47,2)
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 18 
energy.map (47,3)
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 18 
energy.map (48,0)
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 18 
energy.map (48,1)
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 18 
energy.map (48,2)
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 18 
energy.map (48,3)
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 18 
energy.map (49,0)
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 18 
energy.map (49,1)
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 18 
energy.map (49,2)
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 18 
energy.map (49,3)
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 18 
energy.map (50,0)
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 18 
energy.map (50,1)
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 18 
energy.map (50,2)
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 18 
energy.map (50,3)
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 18 
energy.map (51,0)
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 18 
energy.map (51,1)
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 18 
energy.map (51,2)
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 18 
energy.map (51,3)
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 18 
energy.map (52,0)
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 18 
energy.map (52,1)
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 18 
energy.map (52,2)
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 18 
energy.map (52,3)
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 18 
energy.map (53,0)
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 18 
energy.map (53,1)
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H  -0.497 -0.427 -3.404
H  -0.851 -1.552 -1.242
 18 
energy.map (53,2)
C 0.000 0.000 -2.494
C -0.738 -0.439 -1.248
C 0.000 0.000 0.000
C 0.585 1.395 -0.116
C 0.000 2.209 -1.249
C 0.034 1.512 -2.593
H  -1.771 0.002 -1.251
H  0.827 -0.726 0.212
H  -0.705 -0.043 0.871
H  0.430 1.948 0.847
H  1.694 1.313 -0.272
H  -1.067 2.454 -0.995
H  0.551 3.183 -1.322
H  0.960 1.817 -3.149
H  -0.841 1.866 -3.202
H  1.047 -0.402 -2.463
H  -0.497 -0.427 -3.403
H  -0.849 -1.555 -1.242
 18 
energy.map (53,3)
C 0.000 0.000 -2.492
C -0.738 -0.441 -1.247
C 0.000 0.000 0.000
C 0.577 1.399 -0.110
C 0.000 2.210 -1.250
C 0.036 1.512 -2.592
H  -1.771 -0.003 -1.251
H  0.834 -0.721 0.207
H  -0.702 -0.051 0.873
H  0.406 1.951 0.851
H  1.688 1.325 -0.252
H  -1.067 2.460 -1.000
H  0.555 3.183 -1.323
H  0.963 1.815 -3.147
H  -0.837 1.865 -3.203
H  1.046 -0.402 -2.462
H  -0.496 -0.426 -3.402
H  -0.846 -1.557 -1.241
 18 
energy.map (54,0)
C 0.000 0.000 -2.491
C -0.737 -0.443 -1.246
C 0.000 0.000 0.000
C 0.568 1.403 -0.103
C 0.000 2.212 -1.250
C 0.038 1.511 -2.591
H  -1.772 -0.007 -1.251
H  0.840 -0.716 0.201
H  -0.700 -0.060 0.874
H  0.382 1.954 0.856
H  1.682 1.336 -0.232
H  -1.067 2.467 -1.005
H  0.559 3.182 -1.324
H  0.966 1.813 -3.145
H  -0.834 1.865 -3.204
H  1.046 -0.403 -2.461
H  -0.496 -0.425 -3.401
H  -0.843 -1.559 -1.241
 18 
energy.map (54,1)
C 0.000 0.000 -2.491
C -0.734 -0.447 -1.246
C 0.000 0.000 0.000
C 0.559 1.408 -0.101
C 0.000 2.214 -1.254
C 0.040 1.510 -2.593
H  -1.771 -0.017 -1.251
H  0.845 -0.710 0.201
H  -0.699 -0.066 0.874
H  0.358 1.959 0.855
H  1.674 1.348 -0.216
H  -1.067 2.475 -1.015
H  0.564 3.181 -1.328
H  0.969 1.810 -3.147
H  -0.830 1.865 -3.209
H  1.047 -0.403 -2.464
H  -0.498 -0.426 -3.400
H  -0.834 -1.563 -1.241
 18 
energy.map (54,2)
C 0.000 0.000 -2.490
C -0.731 -0.451 -1.246
C 0.000 0.000 0.000
C 0.549 1.412 -0.099
C 0.000 2.216 -1.259
C 0.041 1.509 -2.596
H  -1.770 -0.026 -1.250
H  0.849 -0.704 0.202
H  -0.698 -0.072 0.875
H  0.334 1.964 0.853
H  1.666 1.360 -0.201
H  -1.067 2.482 -1.025
H  0.569 3.181 -1.332
H  0.972 1.806 -3.148
H  -0.827 1.865 -3.214
H  1.047 -0.404 -2.466
H  -0.499 -0.426 -3.399
H  -0.825 -1.568 -1.240
 18 
energy.map (54,3)
C 0.000 0.000 -2.490
C -0.728 -0.454 -1.246
C 0.000 0.000 0.000
C 0.540 1.417 -0.096
C 0.000 2.218 -1.263
C 0.043 1.507 -2.598
H  -1.769 -0.036 -1.250
H  0.853 -0.699 0.202
H  -0.698 -0.078 0.875
H  0.310 1.969 0.851
H  1.657 1.372 -0.185
H  -1.067 2.490 -1.035
H  0.574 3.180 -1.336
H  0.974 1.803 -3.150
H  -0.823 1.864 -3.218
H  1.048 -0.404 -2.469
H  -0.500 -0.427 -3.398
H  -0.816 -1.572 -1.240
 18 
energy.map (55,0)
C 0.000 0.000 -2.489
C -0.725 -0.458 -1.246
C 0.000 0.000 0.000
C 0.530 1.421 -0.094
C 0.000 2.220 -1.267
C 0.044 1.506 -2.600
H  -1.768 -0.045 -1.249
H  0.858 -0.693 0.202
H  -0.697 -0.084 0.875
H  0.286 1.974 0.850
H  1.649 1.384 -0.169
H  -1.067 2.497 -1.045
H  0.579 3.179 -1.340
H  0.977 1.799 -3.151
H  -0.819 1.864 -3.223
H  1.048 -0.404 -2.471
H  -0.502 -0.427 -3.397
H  -0.807 -1.576 -1.239
 18 
energy.map (55,1)
C 0.000 0.000 -2.490
C -0.726 -0.456 -1.246
C 0.000 0.000 0.000
C 0.520 1.424 -0.089
C 0.000 2.222 -1.266
C 0.046 1.507 -2.600
H  -1.768 -0.041 -1.250
H  0.863 -0.689 0.196
H  -0.694 -0.093 0.876
H  0.262 1.974 0.853
H  1.640 1.394 -0.149
H  -1.067 2.505 -1.050
H  0.585 3.178 -1.337
H  0.980 1.799 -3.149
H  -0.816 1.865 -3.224
H  1.047 -0.406 -2.474
H  -0.503 -0.425 -3.398
H  -0.808 -1.574 -1.241
 18 
energy.map (55,2)
C 0.000 0.000 -2.491
C -0.726 -0.455 -1.247
C 0.000 0.000 0.000
C 0.510 1.426 -0.083
C 0.000 2.225 -1.265
C 0.049 1.509 -2.600
H  -1.767 -0.038 -1.251
H  0.867 -0.686 0.190
H  -0.691 -0.103 0.877
H  0.238 1.974 0.857
H  1.632 1.404 -0.129
H  -1.067 2.513 -1.056
H  0.590 3.177 -1.334
H  0.984 1.799 -3.147
H  -0.812 1.867 -3.225
H  1.047 -0.408 -2.476
H  -0.504 -0.424 -3.399
H  -0.810 -1.573 -1.243
 18 
energy.map (55,3)
C 0.000 0.000 -2.492
C -0.726 -0.453 -1.247
C 0.000 0.000 0.000
C 0.499 1.429 -0.078
C 0.000 2.227 -1.264
C 0.051 1.510 -2.599
H  -1.767 -0.034 -1.251
H  0.872 -0.682 0.183
H  -0.687 -0.112 0.879
H  0.214 1.973 0.861
H  1.623 1.413 -0.109
H  -1.066 2.520 -1.061
H  0.595 3.175 -1.331
H  0.988 1.799 -3.145
H  -0.809 1.868 -3.226
H  1.046 -0.410 -2.479
H  -0.506 -0.422 -3.399
H  -0.811 -1.571 -1.244
 18 
energy.map (56,0)
C 0.000 0.000 -2.493
C -0.727 -0.451 -1.247
C 0.000 0.000 0.000
C 0.489 1.431 -0.072
C 0.000 2.229 -1.263
C 0.053 1.511 -2.599
H  -1.766 -0.030 -1.252
H  0.877 -0.678 0.177
H  -0.684 -0.121 0.880
H  0.190 1.973 0.864
H  1.614 1.423 -0.089
H  -1.066 2.528 -1.066
H  0.601 3.174 -1.328
H  0.991 1.799 -3.143
H  -0.805 1.869 -3.227
H  1.045 -0.412 -2.481
H  -0.507 -0.420 -3.400
H  -0.812 -1.569 -1.246
 18 
energy.map (56,1)
C 0.000 0.000 -2.491
C -0.732 -0.447 -1.246
C 0.000 0.000 0.000
C 0.479 1.435 -0.067
C 0.000 2.231 -1.263
C 0.056 1.510 -2.598
H  -1.768 -0.019 -1.251
H  0.882 -0.674 0.167
H  -0.678 -0.131 0.884
H  0.165 1.975 0.865
H  1.604 1.435 -0.070
H  -1.066 2.535 -1.073
H  0.604 3.174 -1.328
H  0.997 1.796 -3.138
H  -0.798 1.870 -3.230
H  1.044 -0.415 -2.474
H  -0.506 -0.420 -3.398
H  -0.826 -1.564 -1.244
 18 
energy.map (56,2)
C 0.000 0.000 -2.488
C -0.736 -0.443 -1.245
C 0.000 0.000 0.000
C 0.470 1.439 -0.062
C 0.000 2.232 -1.263
C 0.060 1.509 -2.596
H  -1.770 -0.009 -1.249
H  0.887 -0.670 0.157
H  -0.671 -0.141 0.888
H  0.140 1.977 0.866
H  1.594 1.446 -0.051
H  -1.066 2.542 -1.080
H  0.607 3.174 -1.328
H  1.004 1.793 -3.133
H  -0.792 1.871 -3.232
H  1.043 -0.418 -2.467
H  -0.504 -0.421 -3.397
H  -0.839 -1.559 -1.241
 18 
energy.map (56,3)
C 0.000 0.000 -2.486
C -0.740 -0.438 -1.243
C 0.000 0.000 0.000
C 0.460 1.442 -0.057
C 0.000 2.234 -1.262
C 0.063 1.508 -2.595
H  -1.772 0.002 -1.248
H  0.892 -0.665 0.147
H  -0.665 -0.150 0.891
H  0.115 1.978 0.867
H  1.583 1.458 -0.031
H  -1.065 2.548 -1.086
H  0.609 3.173 -1.327
H  1.010 1.790 -3.127
H  -0.785 1.871 -3.235
H  1.041 -0.420 -2.460
H  -0.503 -0.421 -3.395
H  -0.853 -1.553 -1.239
 18 
energy.map (57,0)
C 0.000 0.000 -2.483
C -0.745 -0.434 -1.242
C 0.000 0.000 0.000
C 0.450 1.446 -0.052
C 0.000 2.235 -1.262
C 0.066 1.507 -2.593
H  -1.774 0.013 -1.246
H  0.897 -0.661 0.137
H  -0.658 -0.160 0.895
H  0.090 1.980 0.868
H  1.573 1.469 -0.012
H  -1.065 2.555 -1.093
H  0.612 3.173 -1.327
H  1.016 1.787 -3.122
H  -0.778 1.872 -3.237
H  1.040 -0.423 -2.453
H  -0.502 -0.421 -3.393
H  -0.866 -1.548 -1.236
 18 
energy.map (57,1)
C 0.000 0.000 -2.480
C -0.751 -0.428 -1.241
C 0.000 0.000 0.000
C 0.439 1.450 -0.045
C 0.000 2.236 -1.261
C 0.073 1.507 -2.591
H  -1.774 0.032 -1.244
H  0.902 -0.656 0.126
H  -0.651 -0.170 0.898
H  0.061 1.981 0.869
H  1.561 1.482 0.013
H  -1.065 2.559 -1.101
H  0.615 3.173 -1.323
H  1.028 1.782 -3.113
H  -0.764 1.875 -3.241
H  1.038 -0.429 -2.449
H  -0.502 -0.420 -3.392
H  -0.887 -1.540 -1.237
 18 
energy.map (57,2)
C 0.000 0.000 -2.478
C -0.757 -0.421 -1.240
C 0.000 0.000 0.000
C 0.428 1.454 -0.038
C 0.000 2.238 -1.261
C 0.080 1.507 -2.589
H  -1.774 0.051 -1.241
H  0.906 -0.651 0.115
H  -0.644 -0.180 0.901
H  0.031 1.981 0.871
H  1.548 1.496 0.037
H  -1.065 2.563 -1.109
H  0.617 3.173 -1.319
H  1.040 1.778 -3.104
H  -0.750 1.879 -3.245
H  1.035 -0.435 -2.444
H  -0.502 -0.418 -3.390
H  -0.909 -1.531 -1.239
 18 
energy.map (57,3)
C 0.000 0.000 -2.475
C -0.762 -0.415 -1.239
C 0.000 0.000 0.000
C 0.416 1.458 -0.031
C 0.000 2.239 -1.260
C 0.087 1.506 -2.586
H  -1.773 0.070 -1.239
H  0.911 -0.646 0.104
H  -0.636 -0.190 0.903
H  0.001 1.982 0.872
H  1.536 1.509 0.061
H  -1.065 2.567 -1.116
H  0.620 3.173 -1.315
H  1.051 1.773 -3.095
H  -0.737 1.882 -3.248
H  1.033 -0.441 -2.440
H  -0.502 -0.417 -3.389
H  -0.930 -1.523 -1.240
 18 
energy.map (58,0)
C 0.000 0.000 -2.472
C -0.768 -0.408 -1.238
C 0.000 0.000 0.000
C 0.405 1.462 -0.024
C 0.000 2.240 -1.259
C 0.094 1.506 -2.584
H  -1.773 0.089 -1.236
H  0.915 -0.641 0.093
H  -0.629 -0.200 0.906
H  -0.028 1.982 0.873
H  1.523 1.522 0.086
H  -1.065 2.571 -1.124
H  0.623 3.173 -1.311
H  1.063 1.768 -3.086
H  -0.723 1.885 -3.252
H  1.030 -0.447 -2.435
H  -0.502 -0.415 -3.387
H  -0.951 -1.514 -1.241
 18 
energy.map (58,1)
C 0.000 0.000 -2.471
C -0.768 -0.409 -1.237
C 0.000 0.000 0.000
C 0.395 1.464 -0.019
C 0.000 2.241 -1.258
C 0.097 1.506 -2.582
H  -1.774 0.088 -1.236
H  0.919 -0.637 0.090
H  -0.623 -0.208 0.908
H  -0.053 1.981 0.872
H  1.511 1.532 0.104
H  -1.064 2.578 -1.128
H  0.627 3.171 -1.311
H  1.067 1.767 -3.082
H  -0.719 1.886 -3.253
H  1.029 -0.448 -2.435
H  -0.502 -0.413 -3.387
H  -0.950 -1.515 -1.240
 18 
energy.map (58,2)
C 0.000 0.000 -2.471
C -0.769 -0.410 -1.235
C 0.000 0.000 0.000
C 0.385 1.466 -0.015
C 0.000 2.242 -1.258
C 0.099 1.506 -2.581
H  -1.776 0.087 -1.236
H  0.924 -0.632 0.086
H  -0.618 -0.216 0.910
H  -0.077 1.979 0.871
H  1.499 1.542 0.123
H  -1.064 2.585 -1.133
H  0.630 3.170 -1.311
H  1.071 1.766 -3.078
H  -0.715 1.886 -3.253
H  1.029 -0.450 -2.434
H  -0.503 -0.411 -3.386
H  -0.948 -1.516 -1.239
 18 
energy.map (58,3)
C 0.000 0.000 -2.470
C -0.769 -0.410 -1.234
C 0.000 0.000 0.000
C 0.375 1.468 -0.010
C 0.000 2.243 -1.257
C 0.102 1.506 -2.579
H  -1.777 0.086 -1.236
H  0.928 -0.627 0.083
H  -0.613 -0.224 0.912
H  -0.102 1.978 0.871
H  1.486 1.552 0.141
H  -1.063 2.591 -1.137
H  0.634 3.168 -1.310
H  1.075 1.765 -3.073
H  -0.711 1.887 -3.254
H  1.028 -0.451 -2.434
H  -0.504 -0.409 -3.386
H  -0.946 -1.516 -1.238
 18 
energy.map (59,0)
C 0.000 0.000 -2.469
C -0.769 -0.411 -1.232
C 0.000 0.000 0.000
C 0.365 1.470 -0.005
C 0.000 2.244 -1.256
C 0.104 1.506 -2.577
H  -1.778 0.085 -1.236
H  0.932 -0.623 0.080
H  -0.607 -0.232 0.914
H  -0.126 1.976 0.870
H  1.474 1.562 0.159
H  -1.062 2.598 -1.141
H  0.637 3.166 -1.310
H  1.079 1.764 -3.069
H  -0.707 1.887 -3.254
H  1.027 -0.452 -2.433
H  -0.504 -0.407 -3.385
H  -0.945 -1.517 -1.237
 18 
energy.map (59,1)
C 0.000 0.000 -2.469
C -0.769 -0.412 -1.233
C 0.000 0.000 0.000
C 0.355 1.473 -0.001
C 0.000 2.245 -1.255
C 0.106 1.506 -2.576
H  -1.778 0.084 -1.235
H  0.936 -0.617 0.074
H  -0.606 -0.240 0.913
H  -0.149 1.975 0.869
H  1.461 1.570 0.177
H  -1.061 2.604 -1.146
H  0.643 3.164 -1.307
H  1.083 1.763 -3.065
H  -0.702 1.888 -3.255
H  1.027 -0.453 -2.434
H  -0.505 -0.406 -3.385
H  -0.943 -1.518 -1.237
 18 
energy.map (59,2)
C 0.000 0.000 -2.470
C -0.769 -0.413 -1.233
C 0.000 0.000 0.000
C 0.346 1.476 0.004
C 0.000 2.246 -1.255
C 0.108 1.506 -2.575
H  -1.778 0.082 -1.234
H  0.941 -0.611 0.069
H  -0.605 -0.248 0.912
H  -0.173 1.974 0.867
H  1.449 1.577 0.196
H  -1.060 2.610 -1.152
H  0.648 3.161 -1.303
H  1.087 1.762 -3.062
H  -0.698 1.889 -3.256
H  1.026 -0.454 -2.436
H  -0.506 -0.406 -3.385
H  -0.941 -1.519 -1.236
 18 
energy.map (59,3)
C 0.000 0.000 -2.470
C -0.768 -0.413 -1.234
C 0.000 0.000 0.000
C 0.336 1.478 0.008
C 0.000 2.247 -1.254
C 0.110 1.505 -2.573
H  -1.777 0.081 -1.232
H  0.945 -0.605 0.063
H  -0.603 -0.255 0.910
H  -0.196 1.972 0.865
H  1.436 1.585 0.214
H  -1.059 2.615 -1.157
H  0.654 3.159 -1.300
H  1.090 1.761 -3.058
H  -0.694 1.889 -3.256
H  1.026 -0.455 -2.437
H  -0.506 -0.405 -3.385
H  -0.938 -1.520 -1.236
 18 
energy.map (60,0)
C 0.000 0.000 -2.470
C -0.768 -0.414 -1.234
C 0.000 0.000 0.000
C 0.326 1.481 0.013
C 0.000 2.248 -1.253
C 0.112 1.505 -2.572
H  -1.777 0.079 -1.231
H  0.949 -0.599 0.057
H  -0.602 -0.263 0.909
H  -0.219 1.971 0.864
H  1.423 1.592 0.232
H  -1.058 2.621 -1.162
H  0.659 3.156 -1.296
H  1.094 1.760 -3.054
H  -0.689 1.890 -3.257
H  1.025 -0.456 -2.438
H  -0.507 -0.404 -3.385
H  -0.936 -1.521 -1.235
 18 
energy.map (60,1)
C 0.000 0.000 -2.469
C -0.769 -0.413 -1.234
C 0.000 0.000 0.000
C 0.315 1.483 0.018
C 0.000 2.249 -1.252
C 0.117 1.505 -2.570
H  -1.777 0.080 -1.230
H  0.954 -0.590 0.052
H  -0.595 -0.271 0.911
H  -0.243 1.969 0.862
H  1.408 1.602 0.250
H  -1.057 2.626 -1.168
H  0.661 3.155 -1.293
H  1.102 1.757 -3.047
H  -0.680 1.892 -3.259
H  1.024 -0.459 -2.437
H  -0.508 -0.402 -3.385
H  -0.936 -1.521 -1.233
 18 
energy.map (60,2)
C 0.000 0.000 -2.469
C -0.770 -0.413 -1.234
C 0.000 0.000 0.000
C 0.304 1.485 0.023
C 0.000 2.249 -1.251
C 0.122 1.504 -2.567
H  -1.777 0.081 -1.229
H  0.960 -0.581 0.047
H  -0.589 -0.278 0.913
H  -0.268 1.967 0.859
H  1.393 1.612 0.269
H  -1.056 2.631 -1.174
H  0.664 3.154 -1.290
H  1.110 1.754 -3.040
H  -0.670 1.895 -3.261
H  1.023 -0.462 -2.436
H  -0.508 -0.400 -3.385
H  -0.935 -1.520 -1.232
 18 
energy.map (60,3)
C 0.000 0.000 -2.468
C -0.770 -0.412 -1.234
C 0.000 0.000 0.000
C 0.293 1.486 0.027
C 0.000 2.250 -1.249
C 0.126 1.504 -2.565
H  -1.777 0.082 -1.227
H  0.965 -0.572 0.041
H  -0.583 -0.286 0.914
H  -0.292 1.964 0.857
H  1.377 1.622 0.287
H  -1.054 2.636 -1.179
H  0.666 3.152 -1.287
H  1.117 1.750 -3.033
H  -0.661 1.897 -3.263
H  1.022 -0.464 -2.434
H  -0.509 -0.398 -3.385
H  -0.935 -1.520 -1.230
 18 
energy.map (61,0)
C 0.000 0.000 -2.467
C -0.771 -0.411 -1.234
C 0.000 0.000 0.000
C 0.282 1.488 0.032
C 0.000 2.250 -1.248
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H  -1.777 0.083 -1.226
H  0.970 -0.563 0.036
H  -0.576 -0.293 0.916
H  -0.316 1.962 0.855
H  1.362 1.632 0.305
H  -1.053 2.641 -1.185
H  0.668 3.151 -1.284
H  1.125 1.747 -3.026
H  -0.651 1.899 -3.265
H  1.021 -0.467 -2.433
H  -0.509 -0.396 -3.385
H  -0.934 -1.519 -1.228
 18 
energy.map (61,1)
C 0.000 0.000 -2.467
C -0.770 -0.414 -1.234
C 0.000 0.000 0.000
C 0.270 1.490 0.037
C 0.000 2.251 -1.246
C 0.138 1.503 -2.558
H  -1.778 0.075 -1.230
H  0.974 -0.556 0.031
H  -0.571 -0.301 0.917
H  -0.345 1.957 0.852
H  1.344 1.643 0.327
H  -1.052 2.646 -1.190
H  0.671 3.150 -1.277
H  1.136 1.743 -3.014
H  -0.637 1.903 -3.267
H  1.019 -0.472 -2.438
H  -0.514 -0.390 -3.385
H  -0.927 -1.523 -1.229
 18 
energy.map (61,2)
C 0.000 0.000 -2.467
C -0.768 -0.416 -1.234
C 0.000 0.000 0.000
C 0.258 1.492 0.043
C 0.000 2.252 -1.243
C 0.144 1.503 -2.554
H  -1.779 0.068 -1.233
H  0.978 -0.549 0.026
H  -0.567 -0.309 0.917
H  -0.373 1.953 0.849
H  1.326 1.654 0.350
H  -1.051 2.651 -1.196
H  0.675 3.149 -1.269
H  1.147 1.739 -3.003
H  -0.623 1.906 -3.268
H  1.017 -0.477 -2.443
H  -0.519 -0.384 -3.384
H  -0.919 -1.526 -1.230
 18 
energy.map (61,3)
C 0.000 0.000 -2.467
C -0.767 -0.419 -1.233
C 0.000 0.000 0.000
C 0.245 1.494 0.048
C 0.000 2.252 -1.241
C 0.151 1.503 -2.550
H  -1.780 0.060 -1.237
H  0.983 -0.542 0.021
H  -0.562 -0.316 0.918
H  -0.402 1.948 0.846
H  1.307 1.664 0.372
H  -1.050 2.655 -1.201
H  0.678 3.147 -1.262
H  1.158 1.735 -2.991
H  -0.610 1.910 -3.270
H  1.014 -0.481 -2.447
H  -0.524 -0.377 -3.384
H  -0.912 -1.530 -1.231
 18 
energy.map (62,0)
C 0.000 0.000 -2.467
C -0.765 -0.421 -1.233
C 0.000 0.000 0.000
C 0.233 1.496 0.053
C 0.000 2.253 -1.238
C 0.157 1.503 -2.546
H  -1.781 0.052 -1.240
H  0.987 -0.535 0.016
H  -0.557 -0.324 0.918
H  -0.430 1.943 0.843
H  1.289 1.675 0.394
H  -1.049 2.660 -1.206
H  0.681 3.146 -1.254
H  1.169 1.731 -2.979
H  -0.596 1.913 -3.271
H  1.012 -0.486 -2.452
H  -0.529 -0.371 -3.383
H  -0.904 -1.533 -1.232
 18 
energy.map (62,1)
C 0.000 0.000 -2.469
C -0.762 -0.425 -1.234
C 0.000 0.000 0.000
C 0.219 1.498 0.057
C 0.000 2.254 -1.237
C 0.166 1.502 -2.543
H  -1.781 0.042 -1.239
H  0.992 -0.526 0.015
H  -0.555 -0.331 0.917
H  -0.460 1.938 0.835
H  1.268 1.685 0.414
H  -1.048 2.664 -1.214
H  0.684 3.145 -1.249
H  1.184 1.725 -2.965
H  -0.576 1.918 -3.276
H  1.009 -0.492 -2.461
H  -0.535 -0.364 -3.384
H  -0.896 -1.537 -1.233
 18 
energy.map (62,2)
C 0.000 0.000 -2.471
C -0.759 -0.428 -1.235
C 0.000 0.000 0.000
C 0.206 1.499 0.060
C 0.000 2.255 -1.237
C 0.175 1.502 -2.540
H  -1.781 0.032 -1.238
H  0.996 -0.518 0.013
H  -0.552 -0.338 0.916
H  -0.490 1.933 0.828
H  1.246 1.696 0.434
H  -1.047 2.669 -1.223
H  0.688 3.143 -1.244
H  1.199 1.719 -2.951
H  -0.557 1.922 -3.281
H  1.007 -0.498 -2.470
H  -0.541 -0.357 -3.386
H  -0.888 -1.541 -1.235
 18 
energy.map (62,3)
C 0.000 0.000 -2.472
C -0.755 -0.432 -1.236
C 0.000 0.000 0.000
C 0.192 1.501 0.064
C 0.000 2.256 -1.236
C 0.184 1.501 -2.536
H  -1.781 0.021 -1.236
H  1.001 -0.509 0.012
H  -0.550 -0.345 0.915
H  -0.520 1.928 0.820
H  1.225 1.706 0.454
H  -1.046 2.673 -1.231
H  0.691 3.142 -1.238
H  1.213 1.712 -2.936
H  -0.537 1.927 -3.285
H  1.004 -0.503 -2.478
H  -0.546 -0.350 -3.387
H  -0.879 -1.545 -1.236
 18 
energy.map (63,0)
C 0.000 0.000 -2.474
C -0.752 -0.435 -1.237
C 0.000 0.000 0.000
C 0.178 1.502 0.067
C 0.000 2.257 -1.235
C 0.193 1.500 -2.533
H  -1.781 0.011 -1.235
H  1.006 -0.500 0.010
H  -0.547 -0.352 0.914
H  -0.550 1.923 0.812
H  1.203 1.716 0.474
H  -1.045 2.677 -1.239
H  0.694 3.140 -1.233
H  1.228 1.706 -2.922
H  -0.517 1.931 -3.290
H  1.001 -0.509 -2.487
H  -0.552 -0.343 -3.388
H  -0.871 -1.549 -1.237
 18 
energy.map (63,1)
C 0.000 0.000 -2.471
C -0.756 -0.432 -1.236
C 0.000 0.000 0.000
C 0.167 1.503 0.071
C 0.000 2.258 -1.233
C 0.198 1.500 -2.530
H  -1.782 0.021 -1.234
H  1.009 -0.493 0.002
H  -0.539 -0.360 0.916
H  -0.574 1.918 0.807
H  1.185 1.724 0.492
H  -1.043 2.683 -1.244
H  0.698 3.138 -1.227
H  1.235 1.703 -2.913
H  -0.508 1.932 -3.290
H  0.999 -0.512 -2.482
H  -0.551 -0.341 -3.387
H  -0.882 -1.545 -1.237
 18 
energy.map (63,2)
C 0.000 0.000 -2.469
C -0.761 -0.429 -1.235
C 0.000 0.000 0.000
C 0.156 1.504 0.076
C 0.000 2.259 -1.230
C 0.202 1.499 -2.526
H  -1.783 0.031 -1.233
H  1.013 -0.486 -0.007
H  -0.531 -0.368 0.917
H  -0.598 1.912 0.802
H  1.166 1.731 0.509
H  -1.041 2.689 -1.248
H  0.702 3.135 -1.221
H  1.242 1.699 -2.904
H  -0.498 1.934 -3.291
H  0.997 -0.515 -2.478
H  -0.550 -0.339 -3.385
H  -0.892 -1.542 -1.236
 18 
energy.map (63,3)
C 0.000 0.000 -2.466
C -0.765 -0.426 -1.233
C 0.000 0.000 0.000
C 0.144 1.504 0.080
C 0.000 2.260 -1.228
C 0.207 1.499 -2.523
H  -1.784 0.041 -1.232
H  1.016 -0.478 -0.016
H  -0.523 -0.375 0.919
H  -0.621 1.907 0.796
H  1.148 1.739 0.527
H  -1.038 2.695 -1.253
H  0.707 3.133 -1.214
H  1.248 1.696 -2.895
H  -0.489 1.935 -3.291
H  0.996 -0.518 -2.473
H  -0.549 -0.337 -3.384
H  -0.903 -1.538 -1.236
 18 
energy.map (64,0)
C 0.000 0.000 -2.463
C -0.769 -0.423 -1.232
C 0.000 0.000 0.000
C 0.133 1.505 0.084
C 0.000 2.261 -1.225
C 0.211 1.498 -2.519
H  -1.785 0.051 -1.231
H  1.019 -0.471 -0.024
H  -0.515 -0.383 0.920
H  -0.645 1.901 0.791
H  1.129 1.746 0.544
H  -1.036 2.701 -1.257
H  0.711 3.130 -1.208
H  1.255 1.692 -2.886
H  -0.479 1.936 -3.291
H  0.994 -0.521 -2.468
H  -0.548 -0.335 -3.382
H  -0.913 -1.534 -1.235
 18 
energy.map (64,1)
C 0.000 0.000 -2.466
C -0.766 -0.425 -1.234
C 0.000 0.000 0.000
C 0.122 1.506 0.087
C 0.000 2.260 -1.223
C 0.214 1.498 -2.518
H  -1.784 0.044 -1.232
H  1.022 -0.463 -0.025
H  -0.513 -0.388 0.919
H  -0.668 1.895 0.784
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H  -1.034 2.706 -1.262
H  0.715 3.126 -1.203
H  1.260 1.691 -2.880
H  -0.472 1.939 -3.292
H  0.993 -0.523 -2.475
H  -0.552 -0.331 -3.384
H  -0.905 -1.537 -1.237
 18 
energy.map (64,2)
C 0.000 0.000 -2.468
C -0.763 -0.427 -1.235
C 0.000 0.000 0.000
C 0.111 1.506 0.089
C 0.000 2.260 -1.222
C 0.218 1.499 -2.517
H  -1.783 0.037 -1.233
H  1.026 -0.456 -0.026
H  -0.511 -0.394 0.918
H  -0.690 1.890 0.777
H  1.091 1.760 0.575
H  -1.031 2.711 -1.266
H  0.718 3.123 -1.198
H  1.266 1.689 -2.875
H  -0.465 1.941 -3.292
H  0.992 -0.525 -2.482
H  -0.556 -0.326 -3.386
H  -0.898 -1.541 -1.238
 18 
energy.map (64,3)
C 0.000 0.000 -2.471
C -0.760 -0.429 -1.237
C 0.000 0.000 0.000
C 0.099 1.507 0.092
C 0.000 2.259 -1.220
C 0.221 1.499 -2.515
H  -1.782 0.030 -1.234
H  1.029 -0.448 -0.026
H  -0.508 -0.399 0.917
H  -0.713 1.884 0.770
H  1.071 1.766 0.591
H  -1.029 2.715 -1.271
H  0.722 3.119 -1.192
H  1.271 1.688 -2.869
H  -0.458 1.944 -3.293
H  0.991 -0.526 -2.488
H  -0.559 -0.322 -3.387
H  -0.890 -1.544 -1.240
 18 
energy.map (65,0)
C 0.000 0.000 -2.473
C -0.757 -0.431 -1.238
C 0.000 0.000 0.000
C 0.088 1.507 0.094
C 0.000 2.258 -1.218
C 0.224 1.499 -2.514
H  -1.781 0.023 -1.235
H  1.032 -0.440 -0.027
H  -0.506 -0.404 0.916
H  -0.735 1.878 0.763
H  1.052 1.773 0.606
H  -1.026 2.720 -1.275
H  0.726 3.115 -1.187
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H  -0.451 1.946 -3.293
H  0.990 -0.528 -2.495
H  -0.563 -0.317 -3.389
H  -0.882 -1.547 -1.241
 18 
energy.map (65,1)
C 0.000 0.000 -2.471
C -0.757 -0.433 -1.237
C 0.000 0.000 0.000
C 0.077 1.507 0.098
C 0.000 2.259 -1.216
C 0.227 1.499 -2.510
H  -1.782 0.020 -1.234
H  1.035 -0.433 -0.031
H  -0.500 -0.409 0.917
H  -0.757 1.871 0.756
H  1.033 1.779 0.621
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H  0.730 3.112 -1.180
H  1.281 1.683 -2.855
H  -0.443 1.947 -3.292
H  0.989 -0.530 -2.495
H  -0.563 -0.315 -3.388
H  -0.879 -1.549 -1.239
 18 
energy.map (65,2)
C 0.000 0.000 -2.468
C -0.758 -0.435 -1.236
C 0.000 0.000 0.000
C 0.066 1.507 0.102
C 0.000 2.260 -1.213
C 0.231 1.498 -2.507
H  -1.783 0.016 -1.233
H  1.038 -0.425 -0.035
H  -0.495 -0.413 0.918
H  -0.779 1.865 0.749
H  1.013 1.785 0.637
H  -1.020 2.732 -1.280
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H  -0.436 1.948 -3.292
H  0.988 -0.531 -2.494
H  -0.563 -0.312 -3.386
H  -0.875 -1.551 -1.236
 18 
energy.map (65,3)
C 0.000 0.000 -2.466
C -0.758 -0.437 -1.234
C 0.000 0.000 0.000
C 0.054 1.506 0.105
C 0.000 2.260 -1.211
C 0.234 1.498 -2.503
H  -1.784 0.013 -1.232
H  1.040 -0.418 -0.038
H  -0.490 -0.418 0.918
H  -0.801 1.858 0.742
H  0.994 1.791 0.652
H  -1.017 2.738 -1.283
H  0.740 3.105 -1.167
H  1.292 1.677 -2.838
H  -0.428 1.949 -3.291
H  0.988 -0.533 -2.494
H  -0.564 -0.310 -3.385
H  -0.872 -1.552 -1.234
 18 
energy.map (66,0)
C 0.000 0.000 -2.463
C -0.758 -0.439 -1.233
C 0.000 0.000 0.000
C 0.043 1.506 0.109
C 0.000 2.261 -1.208
C 0.237 1.497 -2.499
H  -1.785 0.009 -1.231
H  1.043 -0.410 -0.042
H  -0.484 -0.422 0.919
H  -0.823 1.851 0.735
H  0.974 1.797 0.667
H  -1.014 2.744 -1.285
H  0.744 3.102 -1.160
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H  -0.420 1.950 -3.290
H  0.987 -0.534 -2.493
H  -0.564 -0.307 -3.383
H  -0.869 -1.554 -1.231
 18 
energy.map (66,1)
C 0.000 0.000 -2.462
C -0.755 -0.443 -1.232
C 0.000 0.000 0.000
C 0.032 1.507 0.110
C 0.000 2.262 -1.207
C 0.241 1.496 -2.496
H  -1.785 -0.001 -1.230
H  1.046 -0.403 -0.043
H  -0.480 -0.427 0.919
H  -0.845 1.845 0.725
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H  0.748 3.099 -1.155
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H  -0.410 1.951 -3.290
H  0.986 -0.536 -2.496
H  -0.567 -0.304 -3.381
H  -0.864 -1.559 -1.232
 18 
energy.map (66,2)
C 0.000 0.000 -2.461
C -0.752 -0.448 -1.231
C 0.000 0.000 0.000
C 0.021 1.507 0.111
C 0.000 2.263 -1.206
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H  -1.785 -0.010 -1.229
H  1.049 -0.396 -0.044
H  -0.476 -0.431 0.919
H  -0.867 1.838 0.715
H  0.932 1.809 0.693
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H  0.752 3.096 -1.151
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H  -0.401 1.952 -3.291
H  0.984 -0.539 -2.500
H  -0.569 -0.302 -3.379
H  -0.859 -1.563 -1.232
 18 
energy.map (66,3)
C 0.000 0.000 -2.459
C -0.750 -0.452 -1.229
C 0.000 0.000 0.000
C 0.009 1.508 0.112
C 0.000 2.264 -1.205
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H  -1.784 -0.020 -1.228
H  1.052 -0.389 -0.045
H  -0.472 -0.436 0.919
H  -0.888 1.832 0.705
H  0.911 1.815 0.706
H  -1.004 2.764 -1.300
H  0.757 3.092 -1.146
H  1.315 1.662 -2.805
H  -0.391 1.952 -3.291
H  0.983 -0.541 -2.503
H  -0.572 -0.299 -3.377
H  -0.853 -1.568 -1.233
 18 
energy.map (67,0)
C 0.000 0.000 -2.458
C -0.747 -0.456 -1.228
C 0.000 0.000 0.000
C -0.002 1.508 0.113
C 0.000 2.265 -1.204
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H  -1.784 -0.029 -1.227
H  1.055 -0.382 -0.046
H  -0.468 -0.440 0.919
H  -0.910 1.825 0.695
H  0.890 1.821 0.719
H  -1.000 2.770 -1.305
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H  -0.381 1.953 -3.291
H  0.982 -0.543 -2.506
H  -0.575 -0.296 -3.375
H  -0.848 -1.572 -1.233
 18 
energy.map (67,1)
C 0.000 0.000 -2.460
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C 0.000 0.000 0.000
C -0.014 1.508 0.112
C 0.000 2.266 -1.204
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H  -1.783 -0.041 -1.228
H  1.058 -0.373 -0.046
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H  -0.932 1.817 0.682
H  0.867 1.827 0.730
H  -0.997 2.776 -1.311
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H  -0.369 1.955 -3.293
H  0.980 -0.546 -2.515
H  -0.580 -0.291 -3.376
H  -0.835 -1.577 -1.234
 18 
energy.map (67,2)
C 0.000 0.000 -2.463
C -0.740 -0.465 -1.232
C 0.000 0.000 0.000
C -0.027 1.507 0.111
C 0.000 2.267 -1.203
C 0.263 1.491 -2.482
H  -1.782 -0.052 -1.230
H  1.061 -0.364 -0.045
H  -0.463 -0.448 0.918
H  -0.953 1.810 0.670
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H  -0.994 2.782 -1.317
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H  -0.356 1.958 -3.295
H  0.978 -0.549 -2.524
H  -0.585 -0.286 -3.377
H  -0.823 -1.582 -1.236
 18 
energy.map (67,3)
C 0.000 0.000 -2.465
C -0.736 -0.469 -1.233
C 0.000 0.000 0.000
C -0.039 1.507 0.110
C 0.000 2.267 -1.203
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H  -1.780 -0.064 -1.231
H  1.063 -0.354 -0.045
H  -0.460 -0.452 0.917
H  -0.975 1.802 0.657
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H  -0.990 2.787 -1.322
H  0.772 3.079 -1.123
H  1.344 1.645 -2.767
H  -0.344 1.960 -3.297
H  0.977 -0.551 -2.533
H  -0.590 -0.280 -3.378
H  -0.810 -1.587 -1.237
 18 
energy.map (68,0)
C 0.000 0.000 -2.467
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C 0.000 0.000 0.000
C -0.051 1.506 0.109
C 0.000 2.268 -1.202
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H  -1.779 -0.075 -1.232
H  1.066 -0.345 -0.044
H  -0.457 -0.456 0.916
H  -0.996 1.794 0.644
H  0.798 1.844 0.762
H  -0.987 2.793 -1.328
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H  1.351 1.641 -2.757
H  -0.331 1.962 -3.299
H  0.975 -0.554 -2.542
H  -0.595 -0.275 -3.379
H  -0.797 -1.592 -1.238
 18 
energy.map (68,1)
C 0.000 0.000 -2.468
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C 0.000 0.000 0.000
C -0.064 1.506 0.110
C 0.000 2.269 -1.200
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H  -1.778 -0.085 -1.233
H  1.068 -0.338 -0.044
H  -0.454 -0.459 0.916
H  -1.019 1.785 0.631
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 18 
energy.map (68,2)
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C -0.077 1.505 0.110
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H  1.071 -0.331 -0.043
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 18 
energy.map (68,3)
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C 0.000 0.000 0.000
C -0.090 1.505 0.111
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H  -1.775 -0.104 -1.235
H  1.073 -0.324 -0.043
H  -0.448 -0.465 0.917
H  -1.064 1.766 0.604
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H  -0.279 1.969 -3.298
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H  -0.609 -0.253 -3.377
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 18 
energy.map (69,0)
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C 0.000 0.000 0.000
C -0.103 1.504 0.111
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H  -1.774 -0.114 -1.236
H  1.075 -0.317 -0.042
H  -0.445 -0.468 0.917
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 18 
energy.map (69,1)
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C -0.115 1.503 0.113
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H  1.078 -0.305 -0.047
H  -0.439 -0.474 0.917
H  -1.106 1.749 0.581
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H  -0.616 -0.243 -3.376
H  -0.756 -1.613 -1.241
 18 
energy.map (69,2)
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C -0.126 1.501 0.115
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H  1.081 -0.293 -0.052
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H  -0.752 -1.614 -1.241
 18 
energy.map (69,3)
C 0.000 0.000 -2.468
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C -0.138 1.500 0.117
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H  1.084 -0.280 -0.057
H  -0.428 -0.485 0.916
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 18 
energy.map (70,0)
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C -0.149 1.498 0.119
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H  1.087 -0.268 -0.062
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H  -0.621 -0.232 -3.374
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 18 
energy.map (70,1)
C 0.000 0.000 -2.468
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C 0.000 0.000 0.000
C -0.158 1.497 0.120
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H  1.088 -0.265 -0.062
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H  -1.176 1.716 0.543
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H  -0.621 -0.233 -3.374
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 18 
energy.map (70,2)
C 0.000 0.000 -2.469
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C -0.168 1.496 0.122
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H  1.088 -0.263 -0.062
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H  -1.191 1.709 0.534
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H  -0.620 -0.234 -3.374
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 18 
energy.map (70,3)
C 0.000 0.000 -2.469
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C -0.177 1.494 0.123
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H  1.089 -0.260 -0.061
H  -0.410 -0.504 0.913
H  -1.205 1.702 0.526
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H  -0.619 -0.234 -3.374
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 18 
energy.map (71,0)
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C -0.186 1.493 0.124
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H  1.089 -0.257 -0.061
H  -0.406 -0.509 0.912
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 18 
energy.map (71,1)
C 0.000 0.000 -2.470
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C -0.191 1.493 0.123
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H  -1.776 -0.158 -1.235
H  1.090 -0.253 -0.060
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 18 
energy.map (71,2)
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C -0.196 1.493 0.122
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H  1.092 -0.248 -0.059
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 18 
energy.map (71,3)
C 0.000 0.000 -2.471
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H  1.093 -0.244 -0.057
H  -0.406 -0.507 0.914
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 18 
energy.map (72,0)
C 0.000 0.000 -2.472
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H  -0.406 -0.506 0.914
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 18 
energy.map (72,1)
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 18 
energy.map (72,2)
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H  1.095 -0.237 -0.052
H  -0.407 -0.505 0.915
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H  -0.610 -0.262 -3.376
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 18 
energy.map (72,3)
C 0.000 0.000 -2.471
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C 0.000 0.000 0.000
C -0.209 1.490 0.117
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H  -0.658 -1.651 -1.241
 18 
energy.map (73,0)
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H  -0.408 -0.504 0.915
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H  -0.646 -1.654 -1.239
 18 
energy.map (73,1)
C 0.000 0.000 -2.470
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C -0.209 1.490 0.114
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 18 
energy.map (73,2)
C 0.000 0.000 -2.469
C -0.686 -0.537 -1.235
C 0.000 0.000 0.000
C -0.208 1.491 0.113
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H  -0.583 -0.303 -3.378
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 18 
energy.map (73,3)
C 0.000 0.000 -2.467
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C -0.206 1.491 0.111
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 18 
energy.map (74,0)
C 0.000 0.000 -2.466
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H  -0.643 -1.658 -1.242
 18 
energy.map (74,1)
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 18 
energy.map (74,2)
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 18 
energy.map (74,3)
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H  -0.572 -0.325 -3.380
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 18 
energy.map (75,0)
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H  -0.575 -0.323 -3.380
H  -0.608 -1.670 -1.243
 18 
energy.map (75,1)
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 18 
energy.map (75,2)
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C -0.263 1.482 0.104
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H  1.105 -0.193 -0.042
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H  -0.624 1.926 -3.191
H  1.022 -0.460 -2.565
H  -0.581 -0.318 -3.379
H  -0.582 -1.679 -1.245
 18 
energy.map (75,3)
C 0.000 0.000 -2.472
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H  -0.395 -0.517 0.914
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 18 
energy.map (76,0)
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H  -1.746 -0.326 -1.229
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H  -0.393 -0.519 0.914
H  -1.363 1.613 0.381
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H  -0.586 -0.312 -3.377
H  -0.556 -1.687 -1.246
 18 
energy.map (76,1)
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C -0.291 1.477 0.102
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H  -1.743 -0.341 -1.230
H  1.107 -0.179 -0.032
H  -0.394 -0.521 0.912
H  -1.376 1.606 0.368
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H  -0.589 -0.312 -3.378
H  -0.541 -1.691 -1.247
 18 
energy.map (76,2)
C 0.000 0.000 -2.477
C -0.642 -0.579 -1.240
C 0.000 0.000 0.000
C -0.301 1.475 0.099
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H  -1.740 -0.356 -1.231
H  1.108 -0.175 -0.029
H  -0.396 -0.523 0.911
H  -1.388 1.599 0.355
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H  -0.625 1.928 -3.185
H  1.021 -0.458 -2.590
H  -0.593 -0.311 -3.378
H  -0.526 -1.695 -1.247
 18 
energy.map (76,3)
C 0.000 0.000 -2.479
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C 0.000 0.000 0.000
C -0.310 1.474 0.097
C 0.000 2.257 -1.163
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H  -1.737 -0.371 -1.232
H  1.108 -0.171 -0.026
H  -0.397 -0.525 0.909
H  -1.401 1.591 0.341
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H  -0.625 1.927 -3.185
H  1.020 -0.459 -2.598
H  -0.596 -0.311 -3.379
H  -0.510 -1.698 -1.248
 18 
energy.map (77,0)
C 0.000 0.000 -2.481
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C 0.000 0.000 0.000
C -0.319 1.472 0.094
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H  -1.734 -0.386 -1.233
H  1.109 -0.167 -0.023
H  -0.398 -0.527 0.907
H  -1.413 1.584 0.328
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H  1.019 -0.459 -2.606
H  -0.599 -0.310 -3.379
H  -0.495 -1.702 -1.248
 18 
energy.map (77,1)
C 0.000 0.000 -2.482
C -0.625 -0.594 -1.242
C 0.000 0.000 0.000
C -0.328 1.470 0.093
C 0.000 2.254 -1.162
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H  -1.729 -0.400 -1.234
H  1.111 -0.155 -0.023
H  -0.395 -0.530 0.907
H  -1.424 1.577 0.316
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H  -0.627 1.926 -3.183
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H  -0.602 -0.308 -3.379
H  -0.478 -1.705 -1.248
 18 
energy.map (77,2)
C 0.000 0.000 -2.483
C -0.619 -0.599 -1.243
C 0.000 0.000 0.000
C -0.337 1.469 0.092
C 0.000 2.253 -1.160
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H  -1.725 -0.414 -1.235
H  1.112 -0.143 -0.022
H  -0.392 -0.533 0.907
H  -1.436 1.569 0.303
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H  -0.629 1.927 -3.181
H  1.020 -0.454 -2.618
H  -0.605 -0.306 -3.378
H  -0.461 -1.709 -1.248
 18 
energy.map (77,3)
C 0.000 0.000 -2.484
C -0.613 -0.603 -1.243
C 0.000 0.000 0.000
C -0.345 1.467 0.090
C 0.000 2.252 -1.159
C 0.138 1.509 -2.472
H  -1.720 -0.427 -1.235
H  1.114 -0.131 -0.022
H  -0.388 -0.535 0.906
H  -1.447 1.562 0.291
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H  -0.630 1.928 -3.179
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H  -0.609 -0.303 -3.378
H  -0.444 -1.712 -1.248
 18 
energy.map (78,0)
C 0.000 0.000 -2.485
C -0.606 -0.608 -1.243
C 0.000 0.000 0.000
C -0.354 1.465 0.089
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H  -1.715 -0.441 -1.236
H  1.115 -0.119 -0.021
H  -0.385 -0.538 0.906
H  -1.458 1.554 0.278
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H  -0.631 1.929 -3.177
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H  -0.612 -0.301 -3.377
H  -0.427 -1.715 -1.248
 18 
energy.map (78,1)
C 0.000 0.000 -2.488
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C 0.000 0.000 0.000
C -0.363 1.464 0.087
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H  -1.711 -0.455 -1.239
H  1.116 -0.114 -0.019
H  -0.383 -0.538 0.906
H  -1.468 1.547 0.266
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H  -0.635 1.929 -3.175
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H  -0.616 -0.299 -3.378
H  -0.414 -1.718 -1.250
 18 
energy.map (78,2)
C 0.000 0.000 -2.490
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C 0.000 0.000 0.000
C -0.371 1.462 0.085
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H  -1.706 -0.468 -1.241
H  1.116 -0.109 -0.017
H  -0.381 -0.539 0.907
H  -1.479 1.541 0.254
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H  -0.638 1.928 -3.173
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H  -0.619 -0.298 -3.378
H  -0.400 -1.721 -1.252
 18 
energy.map (78,3)
C 0.000 0.000 -2.493
C -0.589 -0.621 -1.248
C 0.000 0.000 0.000
C -0.380 1.461 0.083
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H  -1.702 -0.482 -1.244
H  1.117 -0.104 -0.014
H  -0.378 -0.539 0.907
H  -1.489 1.534 0.241
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H  -0.642 1.928 -3.171
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H  -0.623 -0.296 -3.379
H  -0.387 -1.724 -1.253
 18 
energy.map (79,0)
C 0.000 0.000 -2.495
C -0.583 -0.626 -1.250
C 0.000 0.000 0.000
C -0.388 1.459 0.081
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H  -1.697 -0.495 -1.246
H  1.117 -0.099 -0.012
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H  -1.499 1.527 0.229
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H  -0.645 1.927 -3.169
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 18 
energy.map (79,1)
C 0.000 0.000 -2.496
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C -0.396 1.457 0.080
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H  1.117 -0.093 -0.011
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H  -0.629 -0.296 -3.378
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 18 
energy.map (79,2)
C 0.000 0.000 -2.496
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C -0.404 1.454 0.078
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H  1.118 -0.086 -0.010
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H  -1.518 1.512 0.206
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H  -0.351 -1.730 -1.255
 18 
energy.map (79,3)
C 0.000 0.000 -2.497
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H  1.118 -0.080 -0.009
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H  -0.632 -0.299 -3.375
H  -0.340 -1.732 -1.255
 18 
energy.map (80,0)
C 0.000 0.000 -2.497
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C 0.000 0.000 0.000
C -0.420 1.449 0.075
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H  1.118 -0.074 -0.008
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H  -0.633 -0.301 -3.374
H  -0.329 -1.733 -1.255
 18 
energy.map (80,1)
C 0.000 0.000 -2.498
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C 0.000 0.000 0.000
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H  -0.323 -1.735 -1.257
 18 
energy.map (80,2)
C 0.000 0.000 -2.499
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C -0.435 1.445 0.071
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H  1.119 -0.064 -0.007
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H  -0.633 -0.302 -3.375
H  -0.318 -1.736 -1.258
 18 
energy.map (80,3)
C 0.000 0.000 -2.499
C -0.557 -0.643 -1.250
C 0.000 0.000 0.000
C -0.442 1.443 0.069
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H  1.120 -0.059 -0.006
H  -0.364 -0.551 0.906
H  -1.561 1.476 0.151
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H  -0.633 -0.303 -3.376
H  -0.312 -1.738 -1.260
 18 
energy.map (81,0)
C 0.000 0.000 -2.500
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C 0.000 0.000 0.000
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H  -0.306 -1.739 -1.261
 18 
energy.map (81,1)
C 0.000 0.000 -2.496
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H  -0.574 -0.355 -3.382
H  -0.291 -1.742 -1.254
 18 
energy.map (81,2)
C 0.000 0.000 -2.492
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H  -0.516 -0.408 -3.387
H  -0.277 -1.745 -1.248
 18 
energy.map (81,3)
C 0.000 0.000 -2.487
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H  -0.457 -0.460 -3.393
H  -0.262 -1.748 -1.241
 18 
energy.map (82,0)
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 18 
energy.map (82,1)
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H  -0.398 -0.512 -3.397
H  -0.257 -1.752 -1.235
 18 
energy.map (82,2)
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H  -0.397 -0.512 -3.397
H  -0.268 -1.753 -1.236
 18 
energy.map (82,3)
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H  -0.397 -0.511 -3.396
H  -0.278 -1.753 -1.237
 18 
energy.map (83,0)
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H  -0.396 -0.511 -3.395
H  -0.288 -1.754 -1.238
 18 
energy.map (83,1)
C 0.000 0.000 -2.481
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H  -1.670 -0.600 -1.240
H  1.109 -0.169 0.040
H  -0.441 -0.480 0.912
H  -1.369 1.630 0.296
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H  -1.492 1.542 -2.663
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H  -0.398 -0.511 -3.397
H  -0.279 -1.754 -1.240
 18 
energy.map (83,2)
C 0.000 0.000 -2.484
C -0.548 -0.669 -1.242
C 0.000 0.000 0.000
C -0.294 1.483 0.034
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C -0.383 1.464 -2.514
H  -1.667 -0.607 -1.243
H  1.110 -0.161 0.042
H  -0.440 -0.483 0.911
H  -1.381 1.623 0.284
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H  -1.494 1.542 -2.663
H  1.117 -0.099 -2.503
H  -0.399 -0.511 -3.398
H  -0.270 -1.755 -1.241
 18 
energy.map (83,3)
C 0.000 0.000 -2.486
C -0.543 -0.671 -1.243
C 0.000 0.000 0.000
C -0.303 1.481 0.033
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C -0.385 1.464 -2.515
H  -1.663 -0.614 -1.245
H  1.111 -0.152 0.043
H  -0.438 -0.486 0.910
H  -1.392 1.615 0.273
H  0.278 1.958 0.866
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H  1.103 2.429 -1.295
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H  1.117 -0.097 -2.508
H  -0.401 -0.511 -3.400
H  -0.261 -1.755 -1.243
 18 
energy.map (84,0)
C 0.000 0.000 -2.488
C -0.539 -0.672 -1.245
C 0.000 0.000 0.000
C -0.312 1.479 0.032
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C -0.386 1.464 -2.516
H  -1.659 -0.621 -1.247
H  1.112 -0.144 0.044
H  -0.437 -0.489 0.909
H  -1.404 1.608 0.261
H  0.259 1.959 0.870
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H  -1.497 1.541 -2.663
H  1.117 -0.095 -2.513
H  -0.402 -0.511 -3.401
H  -0.252 -1.755 -1.244
 18 
energy.map (84,1)
C 0.000 0.000 -2.489
C -0.532 -0.676 -1.245
C 0.000 0.000 0.000
C -0.320 1.478 0.031
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C -0.389 1.463 -2.515
H  -1.652 -0.636 -1.246
H  1.113 -0.139 0.047
H  -0.436 -0.491 0.909
H  -1.415 1.600 0.251
H  0.241 1.960 0.874
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H  -1.501 1.539 -2.658
H  1.117 -0.093 -2.518
H  -0.404 -0.511 -3.401
H  -0.234 -1.757 -1.244
 18 
energy.map (84,2)
C 0.000 0.000 -2.490
C -0.525 -0.680 -1.244
C 0.000 0.000 0.000
C -0.329 1.476 0.030
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C -0.393 1.462 -2.515
H  -1.646 -0.651 -1.244
H  1.114 -0.135 0.050
H  -0.436 -0.494 0.908
H  -1.426 1.593 0.241
H  0.224 1.961 0.877
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H  -1.505 1.537 -2.653
H  1.118 -0.091 -2.523
H  -0.406 -0.512 -3.401
H  -0.216 -1.759 -1.243
 18 
energy.map (84,3)
C 0.000 0.000 -2.490
C -0.517 -0.684 -1.244
C 0.000 0.000 0.000
C -0.337 1.475 0.029
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C -0.396 1.460 -2.514
H  -1.639 -0.666 -1.243
H  1.114 -0.130 0.052
H  -0.435 -0.496 0.908
H  -1.436 1.585 0.230
H  0.206 1.962 0.881
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H  0.078 1.965 -3.396
H  -1.508 1.534 -2.647
H  1.118 -0.088 -2.527
H  -0.407 -0.512 -3.401
H  -0.198 -1.761 -1.243
 18 
energy.map (85,0)
C 0.000 0.000 -2.491
C -0.510 -0.688 -1.243
C 0.000 0.000 0.000
C -0.345 1.473 0.028
C 0.000 2.201 -1.252
C -0.399 1.459 -2.513
H  -1.632 -0.681 -1.241
H  1.115 -0.125 0.055
H  -0.434 -0.498 0.907
H  -1.447 1.577 0.220
H  0.188 1.963 0.885
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H  -1.512 1.532 -2.642
H  1.118 -0.086 -2.532
H  -0.409 -0.512 -3.401
H  -0.180 -1.763 -1.242
 18 
energy.map (85,1)
C 0.000 0.000 -2.492
C -0.505 -0.691 -1.244
C 0.000 0.000 0.000
C -0.354 1.471 0.026
C 0.000 2.198 -1.253
C -0.402 1.458 -2.514
H  -1.627 -0.691 -1.243
H  1.116 -0.116 0.056
H  -0.432 -0.500 0.907
H  -1.458 1.571 0.209
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H  -1.515 1.529 -2.639
H  1.118 -0.083 -2.535
H  -0.409 -0.513 -3.401
H  -0.168 -1.763 -1.243
 18 
energy.map (85,2)
C 0.000 0.000 -2.493
C -0.500 -0.694 -1.246
C 0.000 0.000 0.000
C -0.363 1.470 0.025
C 0.000 2.196 -1.254
C -0.405 1.457 -2.514
H  -1.623 -0.701 -1.245
H  1.117 -0.107 0.058
H  -0.429 -0.502 0.907
H  -1.468 1.565 0.197
H  0.153 1.966 0.888
H  -0.481 3.210 -1.250
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H  0.061 1.965 -3.400
H  -1.519 1.527 -2.636
H  1.119 -0.079 -2.538
H  -0.409 -0.514 -3.402
H  -0.157 -1.763 -1.244
 18 
energy.map (85,3)
C 0.000 0.000 -2.494
C -0.496 -0.698 -1.247
C 0.000 0.000 0.000
C -0.371 1.468 0.023
C 0.000 2.193 -1.254
C -0.407 1.456 -2.515
H  -1.618 -0.711 -1.246
H  1.117 -0.097 0.059
H  -0.427 -0.503 0.907
H  -1.479 1.558 0.186
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H  1.113 2.346 -1.271
H  0.056 1.963 -3.402
H  -1.522 1.524 -2.632
H  1.119 -0.076 -2.541
H  -0.409 -0.515 -3.402
H  -0.145 -1.763 -1.245
 18 
energy.map (86,0)
C 0.000 0.000 -2.495
C -0.491 -0.701 -1.248
C 0.000 0.000 0.000
C -0.380 1.466 0.021
C 0.000 2.190 -1.255
C -0.410 1.455 -2.515
H  -1.613 -0.721 -1.248
H  1.118 -0.088 0.060
H  -0.424 -0.505 0.907
H  -1.489 1.552 0.174
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H  -0.470 3.209 -1.253
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H  -1.525 1.521 -2.629
H  1.119 -0.073 -2.544
H  -0.409 -0.516 -3.402
H  -0.133 -1.763 -1.246
 18 
energy.map (86,1)
C 0.000 0.000 -2.495
C -0.490 -0.702 -1.248
C 0.000 0.000 0.000
C -0.389 1.464 0.020
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C -0.413 1.455 -2.515
H  -1.612 -0.726 -1.248
H  1.118 -0.083 0.057
H  -0.420 -0.507 0.908
H  -1.499 1.545 0.163
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H  -1.528 1.519 -2.627
H  1.119 -0.071 -2.545
H  -0.408 -0.516 -3.403
H  -0.129 -1.762 -1.246
 18 
energy.map (86,2)
C 0.000 0.000 -2.495
C -0.489 -0.702 -1.248
C 0.000 0.000 0.000
C -0.397 1.462 0.018
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C -0.415 1.455 -2.515
H  -1.611 -0.730 -1.247
H  1.119 -0.078 0.054
H  -0.416 -0.509 0.908
H  -1.509 1.537 0.151
H  0.081 1.969 0.896
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H  -1.531 1.518 -2.625
H  1.120 -0.069 -2.546
H  -0.408 -0.516 -3.403
H  -0.124 -1.762 -1.245
 18 
energy.map (86,3)
C 0.000 0.000 -2.495
C -0.488 -0.703 -1.248
C 0.000 0.000 0.000
C -0.406 1.459 0.017
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C -0.418 1.455 -2.514
H  -1.610 -0.735 -1.247
H  1.119 -0.073 0.051
H  -0.412 -0.511 0.909
H  -1.519 1.530 0.140
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H  -1.533 1.516 -2.623
H  1.120 -0.066 -2.546
H  -0.407 -0.516 -3.404
H  -0.120 -1.761 -1.245
 18 
energy.map (87,0)
C 0.000 0.000 -2.495
C -0.487 -0.704 -1.248
C 0.000 0.000 0.000
C -0.414 1.457 0.015
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C -0.420 1.455 -2.514
H  -1.609 -0.740 -1.246
H  1.119 -0.068 0.048
H  -0.408 -0.513 0.909
H  -1.529 1.522 0.128
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H  -0.406 -0.516 -3.404
H  -0.115 -1.760 -1.244
 18 
energy.map (87,1)
C 0.000 0.000 -2.498
C -0.483 -0.706 -1.249
C 0.000 0.000 0.000
C -0.421 1.455 0.013
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C -0.426 1.454 -2.513
H  -1.604 -0.746 -1.248
H  1.119 -0.062 0.051
H  -0.408 -0.515 0.908
H  -1.537 1.516 0.119
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H  -1.543 1.511 -2.614
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H  -0.407 -0.518 -3.405
H  -0.108 -1.762 -1.247
 18 
energy.map (87,2)
C 0.000 0.000 -2.500
C -0.478 -0.708 -1.251
C 0.000 0.000 0.000
C -0.428 1.453 0.011
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C -0.432 1.453 -2.512
H  -1.599 -0.751 -1.251
H  1.120 -0.057 0.054
H  -0.408 -0.518 0.907
H  -1.545 1.510 0.110
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H  -1.549 1.507 -2.606
H  1.120 -0.051 -2.556
H  -0.408 -0.519 -3.407
H  -0.101 -1.763 -1.250
 18 
energy.map (87,3)
C 0.000 0.000 -2.503
C -0.474 -0.710 -1.252
C 0.000 0.000 0.000
C -0.435 1.451 0.009
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C -0.438 1.452 -2.511
H  -1.593 -0.757 -1.253
H  1.120 -0.051 0.057
H  -0.408 -0.520 0.905
H  -1.552 1.504 0.100
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H  -1.556 1.504 -2.599
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H  -0.408 -0.521 -3.408
H  -0.094 -1.765 -1.253
 18 
energy.map (88,0)
C 0.000 0.000 -2.505
C -0.469 -0.712 -1.253
C 0.000 0.000 0.000
C -0.442 1.449 0.007
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C -0.444 1.451 -2.510
H  -1.588 -0.762 -1.255
H  1.120 -0.045 0.060
H  -0.408 -0.522 0.904
H  -1.560 1.498 0.091
H  -0.014 1.970 0.902
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H  -1.562 1.500 -2.591
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H  -0.409 -0.522 -3.409
H  -0.087 -1.766 -1.256
 18 
energy.map (88,1)
C 0.000 0.000 -2.505
C -0.468 -0.713 -1.253
C 0.000 0.000 0.000
C -0.450 1.447 0.006
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C -0.450 1.450 -2.509
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H  -0.407 -0.523 -3.410
H  -0.081 -1.766 -1.256
 18 
energy.map (88,2)
C 0.000 0.000 -2.506
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C 0.000 0.000 0.000
C -0.458 1.444 0.005
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C -0.455 1.448 -2.507
H  -1.586 -0.769 -1.253
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H  -1.574 1.488 -2.576
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H  -0.406 -0.524 -3.410
H  -0.076 -1.766 -1.255
 18 
energy.map (88,3)
C 0.000 0.000 -2.506
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C 0.000 0.000 0.000
C -0.466 1.442 0.004
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H  -1.580 1.481 -2.569
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H  -0.404 -0.524 -3.411
H  -0.070 -1.766 -1.255
 18 
energy.map (89,0)
C 0.000 0.000 -2.506
C -0.464 -0.717 -1.253
C 0.000 0.000 0.000
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C -0.466 1.445 -2.504
H  -1.583 -0.776 -1.250
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H  -0.394 -0.532 0.905
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H  -0.083 1.967 0.910
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H  -0.402 -0.525 -3.411
H  -0.064 -1.766 -1.254
 18 
energy.map (89,1)
C 0.000 0.000 -2.508
C -0.458 -0.720 -1.254
C 0.000 0.000 0.000
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C -0.472 1.444 -2.502
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H  -0.402 -0.526 -3.412
H  -0.051 -1.766 -1.256
 18 
energy.map (89,2)
C 0.000 0.000 -2.509
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C -0.478 1.442 -2.501
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H  -0.402 -0.526 -3.413
H  -0.039 -1.766 -1.258
 18 
energy.map (89,3)
C 0.000 0.000 -2.511
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C -0.483 1.441 -2.499
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H  -1.603 1.465 -2.537
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H  -0.402 -0.527 -3.414
H  -0.026 -1.765 -1.259
 18 
energy.map (90,0)
C 0.000 0.000 -2.512
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C 0.000 0.000 0.000
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H  1.119 -0.002 0.067
H  -0.390 -0.540 0.901
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H  -1.608 1.461 -2.529
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H  -0.402 -0.527 -3.415
H  -0.013 -1.765 -1.261
 18 
energy.map (90,1)
C 0.000 0.000 -2.512
C -0.440 -0.728 -1.256
C 0.000 0.000 0.000
C -0.507 1.429 -0.007
C 0.000 2.140 -1.247
C -0.489 1.439 -2.497
H  -1.557 -0.824 -1.254
H  1.119 -0.002 0.067
H  -0.390 -0.540 0.901
H  -1.628 1.438 0.005
H  -0.151 1.964 0.911
H  -0.359 3.203 -1.246
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H  -1.608 1.461 -2.529
H  1.119 -0.010 -2.582
H  -0.402 -0.527 -3.415
H  -0.013 -1.765 -1.261
 18 
energy.map (90,2)
C 0.000 0.000 -2.512
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C 0.000 0.000 0.000
C -0.507 1.429 -0.007
C 0.000 2.140 -1.247
C -0.489 1.439 -2.497
H  -1.557 -0.824 -1.254
H  1.119 -0.002 0.067
H  -0.390 -0.540 0.901
H  -1.628 1.438 0.005
H  -0.151 1.964 0.911
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H  -0.402 -0.527 -3.415
H  -0.013 -1.765 -1.261
 18 
energy.map (90,3)
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C 0.000 0.000 0.000
C -0.507 1.429 -0.007
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H  -1.557 -0.824 -1.254
H  1.119 -0.002 0.067
H  -0.390 -0.540 0.901
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H  -1.608 1.461 -2.529
H  1.119 -0.010 -2.582
H  -0.402 -0.527 -3.415
H  -0.013 -1.765 -1.261
 18 
energy.map (91,0)
C 0.000 0.000 -2.512
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C 0.000 0.000 0.000
C -0.507 1.429 -0.007
C 0.000 2.140 -1.247
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H  -1.557 -0.824 -1.254
H  1.119 -0.002 0.067
H  -0.390 -0.540 0.901
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H  -0.151 1.964 0.911
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H  -1.608 1.461 -2.529
H  1.119 -0.010 -2.582
H  -0.402 -0.527 -3.415
H  -0.013 -1.765 -1.261
 18 
energy.map (91,1)
C 0.000 0.000 -2.511
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C 0.000 0.000 0.000
C -0.499 1.432 -0.005
C 0.000 2.143 -1.247
C -0.483 1.441 -2.499
H  -1.564 -0.812 -1.253
H  1.119 -0.007 0.064
H  -0.391 -0.538 0.902
H  -1.620 1.446 0.017
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H  -1.603 1.465 -2.537
H  1.119 -0.016 -2.578
H  -0.402 -0.527 -3.414
H  -0.026 -1.765 -1.259
 18 
energy.map (91,2)
C 0.000 0.000 -2.509
C -0.452 -0.722 -1.255
C 0.000 0.000 0.000
C -0.491 1.434 -0.002
C 0.000 2.145 -1.247
C -0.478 1.442 -2.501
H  -1.570 -0.800 -1.252
H  1.120 -0.013 0.061
H  -0.392 -0.536 0.903
H  -1.611 1.453 0.029
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H  -1.597 1.468 -2.545
H  1.119 -0.022 -2.574
H  -0.402 -0.526 -3.413
H  -0.039 -1.766 -1.258
 18 
energy.map (91,3)
C 0.000 0.000 -2.508
C -0.458 -0.720 -1.254
C 0.000 0.000 0.000
C -0.482 1.437 0.001
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C -0.472 1.444 -2.502
H  -1.577 -0.788 -1.251
H  1.120 -0.018 0.057
H  -0.393 -0.534 0.904
H  -1.603 1.461 0.040
H  -0.100 1.966 0.910
H  -0.378 3.204 -1.247
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H  -0.077 1.974 -3.406
H  -1.592 1.472 -2.553
H  1.119 -0.028 -2.570
H  -0.402 -0.526 -3.412
H  -0.051 -1.766 -1.256
 18 
energy.map (92,0)
C 0.000 0.000 -2.506
C -0.464 -0.717 -1.253
C 0.000 0.000 0.000
C -0.474 1.439 0.003
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C -0.466 1.445 -2.504
H  -1.583 -0.776 -1.250
H  1.120 -0.023 0.054
H  -0.394 -0.532 0.905
H  -1.594 1.468 0.052
H  -0.083 1.967 0.910
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H  -0.065 1.974 -3.406
H  -1.586 1.475 -2.561
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H  -0.402 -0.525 -3.411
H  -0.064 -1.766 -1.254
 18 
energy.map (92,1)
C 0.000 0.000 -2.506
C -0.465 -0.716 -1.253
C 0.000 0.000 0.000
C -0.466 1.442 0.004
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H  -1.584 -0.773 -1.251
H  1.120 -0.029 0.056
H  -0.398 -0.530 0.905
H  -1.586 1.476 0.062
H  -0.066 1.968 0.908
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H  -0.053 1.973 -3.407
H  -1.580 1.481 -2.569
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H  -0.404 -0.524 -3.411
H  -0.070 -1.766 -1.255
 18 
energy.map (92,2)
C 0.000 0.000 -2.506
C -0.467 -0.714 -1.253
C 0.000 0.000 0.000
C -0.458 1.444 0.005
C 0.000 2.156 -1.250
C -0.455 1.448 -2.507
H  -1.586 -0.769 -1.253
H  1.120 -0.034 0.057
H  -0.401 -0.527 0.905
H  -1.577 1.483 0.071
H  -0.049 1.969 0.906
H  -0.398 3.205 -1.249
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H  -0.042 1.973 -3.407
H  -1.574 1.488 -2.576
H  1.119 -0.036 -2.565
H  -0.406 -0.524 -3.410
H  -0.076 -1.766 -1.255
 18 
energy.map (92,3)
C 0.000 0.000 -2.505
C -0.468 -0.713 -1.253
C 0.000 0.000 0.000
C -0.450 1.447 0.006
C 0.000 2.159 -1.252
C -0.450 1.450 -2.509
H  -1.587 -0.766 -1.254
H  1.120 -0.040 0.059
H  -0.405 -0.525 0.904
H  -1.569 1.491 0.081
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H  -0.030 1.972 -3.408
H  -1.568 1.494 -2.584
H  1.119 -0.036 -2.565
H  -0.407 -0.523 -3.410
H  -0.081 -1.766 -1.256
 18 
energy.map (93,0)
C 0.000 0.000 -2.505
C -0.469 -0.712 -1.253
C 0.000 0.000 0.000
C -0.442 1.449 0.007
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C -0.444 1.451 -2.510
H  -1.588 -0.762 -1.255
H  1.120 -0.045 0.060
H  -0.408 -0.522 0.904
H  -1.560 1.498 0.091
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H  -0.018 1.971 -3.408
H  -1.562 1.500 -2.591
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H  -0.409 -0.522 -3.409
H  -0.087 -1.766 -1.256
 18 
energy.map (93,1)
C 0.000 0.000 -2.503
C -0.474 -0.710 -1.252
C 0.000 0.000 0.000
C -0.435 1.451 0.009
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C -0.438 1.452 -2.511
H  -1.593 -0.757 -1.253
H  1.120 -0.051 0.057
H  -0.408 -0.520 0.905
H  -1.552 1.504 0.100
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H  -1.556 1.504 -2.599
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H  -0.408 -0.521 -3.408
H  -0.094 -1.765 -1.253
 18 
energy.map (93,2)
C 0.000 0.000 -2.500
C -0.478 -0.708 -1.251
C 0.000 0.000 0.000
C -0.428 1.453 0.011
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C -0.432 1.453 -2.512
H  -1.599 -0.751 -1.251
H  1.120 -0.057 0.054
H  -0.408 -0.518 0.907
H  -1.545 1.510 0.110
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H  -1.549 1.507 -2.606
H  1.120 -0.051 -2.556
H  -0.408 -0.519 -3.407
H  -0.101 -1.763 -1.250
 18 
energy.map (93,3)
C 0.000 0.000 -2.498
C -0.483 -0.706 -1.249
C 0.000 0.000 0.000
C -0.421 1.455 0.013
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C -0.426 1.454 -2.513
H  -1.604 -0.746 -1.248
H  1.119 -0.062 0.051
H  -0.408 -0.515 0.908
H  -1.537 1.516 0.119
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H  -1.543 1.511 -2.614
H  1.120 -0.057 -2.551
H  -0.407 -0.518 -3.405
H  -0.108 -1.762 -1.247
 18 
energy.map (94,0)
C 0.000 0.000 -2.495
C -0.487 -0.704 -1.248
C 0.000 0.000 0.000
C -0.414 1.457 0.015
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C -0.420 1.455 -2.514
H  -1.609 -0.740 -1.246
H  1.119 -0.068 0.048
H  -0.408 -0.513 0.909
H  -1.529 1.522 0.128
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H  -1.536 1.514 -2.621
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H  -0.406 -0.516 -3.404
H  -0.115 -1.760 -1.244
 18 
energy.map (94,1)
C 0.000 0.000 -2.495
C -0.488 -0.703 -1.248
C 0.000 0.000 0.000
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C -0.418 1.455 -2.514
H  -1.610 -0.735 -1.247
H  1.119 -0.073 0.051
H  -0.412 -0.511 0.909
H  -1.519 1.530 0.140
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H  -0.407 -0.516 -3.404
H  -0.120 -1.761 -1.245
 18 
energy.map (94,2)
C 0.000 0.000 -2.495
C -0.489 -0.702 -1.248
C 0.000 0.000 0.000
C -0.397 1.462 0.018
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C -0.415 1.455 -2.515
H  -1.611 -0.730 -1.247
H  1.119 -0.078 0.054
H  -0.416 -0.509 0.908
H  -1.509 1.537 0.151
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H  -1.531 1.518 -2.625
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H  -0.408 -0.516 -3.403
H  -0.124 -1.762 -1.245
 18 
energy.map (94,3)
C 0.000 0.000 -2.495
C -0.490 -0.702 -1.248
C 0.000 0.000 0.000
C -0.389 1.464 0.020
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C -0.413 1.455 -2.515
H  -1.612 -0.726 -1.248
H  1.118 -0.083 0.057
H  -0.420 -0.507 0.908
H  -1.499 1.545 0.163
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H  -1.528 1.519 -2.627
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H  -0.408 -0.516 -3.403
H  -0.129 -1.762 -1.246
 18 
energy.map (95,0)
C 0.000 0.000 -2.495
C -0.491 -0.701 -1.248
C 0.000 0.000 0.000
C -0.380 1.466 0.021
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C -0.410 1.455 -2.515
H  -1.613 -0.721 -1.248
H  1.118 -0.088 0.060
H  -0.424 -0.505 0.907
H  -1.489 1.552 0.174
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H  -1.525 1.521 -2.629
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H  -0.409 -0.516 -3.402
H  -0.133 -1.763 -1.246
 18 
energy.map (95,1)
C 0.000 0.000 -2.494
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C 0.000 0.000 0.000
C -0.371 1.468 0.023
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C -0.407 1.456 -2.515
H  -1.618 -0.711 -1.246
H  1.117 -0.097 0.059
H  -0.427 -0.503 0.907
H  -1.479 1.558 0.186
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H  -1.522 1.524 -2.632
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H  -0.409 -0.515 -3.402
H  -0.145 -1.763 -1.245
 18 
energy.map (95,2)
C 0.000 0.000 -2.493
C -0.500 -0.694 -1.246
C 0.000 0.000 0.000
C -0.363 1.470 0.025
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C -0.405 1.457 -2.514
H  -1.623 -0.701 -1.245
H  1.117 -0.107 0.058
H  -0.429 -0.502 0.907
H  -1.468 1.565 0.197
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H  -1.519 1.527 -2.636
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H  -0.409 -0.514 -3.402
H  -0.157 -1.763 -1.244
 18 
energy.map (95,3)
C 0.000 0.000 -2.492
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C 0.000 0.000 0.000
C -0.354 1.471 0.026
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C -0.402 1.458 -2.514
H  -1.627 -0.691 -1.243
H  1.116 -0.116 0.056
H  -0.432 -0.500 0.907
H  -1.458 1.571 0.209
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H  -0.409 -0.513 -3.401
H  -0.168 -1.763 -1.243
 18 
energy.map (96,0)
C 0.000 0.000 -2.491
C -0.510 -0.688 -1.243
C 0.000 0.000 0.000
C -0.345 1.473 0.028
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H  -1.632 -0.681 -1.241
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H  -0.434 -0.498 0.907
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H  -0.409 -0.512 -3.401
H  -0.180 -1.763 -1.242
 18 
energy.map (96,1)
C 0.000 0.000 -2.490
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C 0.000 0.000 0.000
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C -0.396 1.460 -2.514
H  -1.639 -0.666 -1.243
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H  -0.407 -0.512 -3.401
H  -0.198 -1.761 -1.243
 18 
energy.map (96,2)
C 0.000 0.000 -2.490
C -0.525 -0.680 -1.244
C 0.000 0.000 0.000
C -0.329 1.476 0.030
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C -0.393 1.462 -2.515
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H  1.114 -0.135 0.050
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H  -0.406 -0.512 -3.401
H  -0.216 -1.759 -1.243
 18 
energy.map (96,3)
C 0.000 0.000 -2.489
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C -0.389 1.463 -2.515
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H  -0.404 -0.511 -3.401
H  -0.234 -1.757 -1.244
 18 
energy.map (97,0)
C 0.000 0.000 -2.488
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H  -0.402 -0.511 -3.401
H  -0.252 -1.755 -1.244
 18 
energy.map (97,1)
C 0.000 0.000 -2.486
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C -0.385 1.464 -2.515
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H  -0.401 -0.511 -3.400
H  -0.261 -1.755 -1.243
 18 
energy.map (97,2)
C 0.000 0.000 -2.484
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C 0.000 0.000 0.000
C -0.294 1.483 0.034
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C -0.383 1.464 -2.514
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H  1.117 -0.099 -2.503
H  -0.399 -0.511 -3.398
H  -0.270 -1.755 -1.241
 18 
energy.map (97,3)
C 0.000 0.000 -2.481
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H  -1.670 -0.600 -1.240
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H  -0.441 -0.480 0.912
H  -1.369 1.630 0.296
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H  -1.492 1.542 -2.663
H  1.117 -0.100 -2.497
H  -0.398 -0.511 -3.397
H  -0.279 -1.754 -1.240
 18 
energy.map (98,0)
C 0.000 0.000 -2.479
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C 0.000 0.000 0.000
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C -0.380 1.464 -2.512
H  -1.674 -0.593 -1.238
H  1.108 -0.177 0.039
H  -0.442 -0.477 0.913
H  -1.357 1.637 0.307
H  0.333 1.953 0.855
H  -0.542 3.203 -1.245
H  1.098 2.456 -1.308
H  0.106 1.953 -3.398
H  -1.490 1.542 -2.663
H  1.117 -0.102 -2.492
H  -0.396 -0.511 -3.395
H  -0.288 -1.754 -1.238
 18 
energy.map (98,1)
C 0.000 0.000 -2.480
C -0.553 -0.667 -1.239
C 0.000 0.000 0.000
C -0.265 1.489 0.035
C 0.000 2.223 -1.263
C -0.382 1.463 -2.513
H  -1.671 -0.601 -1.240
H  1.107 -0.182 0.045
H  -0.449 -0.473 0.912
H  -1.342 1.648 0.319
H  0.356 1.951 0.848
H  -0.547 3.202 -1.246
H  1.096 2.464 -1.317
H  0.101 1.952 -3.400
H  -1.493 1.539 -2.661
H  1.117 -0.100 -2.495
H  -0.397 -0.511 -3.396
H  -0.278 -1.753 -1.237
 18 
energy.map (98,2)
C 0.000 0.000 -2.481
C -0.549 -0.668 -1.239
C 0.000 0.000 0.000
C -0.254 1.491 0.036
C 0.000 2.224 -1.266
C -0.385 1.462 -2.514
H  -1.668 -0.609 -1.242
H  1.106 -0.188 0.050
H  -0.455 -0.470 0.911
H  -1.326 1.658 0.331
H  0.380 1.949 0.841
H  -0.552 3.201 -1.247
H  1.095 2.472 -1.326
H  0.096 1.952 -3.403
H  -1.496 1.536 -2.659
H  1.118 -0.098 -2.498
H  -0.397 -0.512 -3.397
H  -0.268 -1.753 -1.236
 18 
energy.map (98,3)
C 0.000 0.000 -2.482
C -0.546 -0.668 -1.240
C 0.000 0.000 0.000
C -0.243 1.493 0.036
C 0.000 2.226 -1.268
C -0.387 1.460 -2.514
H  -1.665 -0.617 -1.244
H  1.105 -0.193 0.056
H  -0.462 -0.466 0.910
H  -1.311 1.669 0.343
H  0.403 1.947 0.833
H  -0.557 3.199 -1.248
H  1.093 2.479 -1.334
H  0.090 1.951 -3.405
H  -1.498 1.532 -2.656
H  1.118 -0.096 -2.501
H  -0.398 -0.512 -3.397
H  -0.257 -1.752 -1.235
 18 
energy.map (99,0)
C 0.000 0.000 -2.483
C -0.542 -0.669 -1.240
C 0.000 0.000 0.000
C -0.232 1.495 0.036
C 0.000 2.227 -1.271
C -0.389 1.459 -2.515
H  -1.662 -0.625 -1.246
H  1.104 -0.198 0.061
H  -0.468 -0.462 0.909
H  -1.295 1.679 0.355
H  0.426 1.945 0.826
H  -0.562 3.198 -1.249
H  1.091 2.487 -1.343
H  0.085 1.950 -3.407
H  -1.501 1.529 -2.654
H  1.118 -0.094 -2.504
H  -0.398 -0.512 -3.398
H  -0.247 -1.751 -1.234
 18 
energy.map (99,1)
C 0.000 0.000 -2.487
C -0.545 -0.663 -1.243
C 0.000 0.000 0.000
C -0.286 1.482 0.044
C 0.000 2.231 -1.237
C -0.266 1.472 -2.502
H  -1.665 -0.610 -1.247
H  1.108 -0.162 0.045
H  -0.442 -0.485 0.909
H  -1.364 1.627 0.301
H  0.308 1.939 0.869
H  -0.595 3.177 -1.252
H  1.071 2.534 -1.232
H  0.334 1.913 -3.290
H  -1.301 1.628 -2.774
H  1.095 -0.176 -2.550
H  -0.457 -0.460 -3.393
H  -0.262 -1.748 -1.241
 18 
energy.map (99,2)
C 0.000 0.000 -2.492
C -0.549 -0.657 -1.246
C 0.000 0.000 0.000
C -0.341 1.468 0.052
C 0.000 2.235 -1.203
C -0.143 1.486 -2.489
H  -1.669 -0.595 -1.248
H  1.112 -0.126 0.028
H  -0.415 -0.507 0.908
H  -1.432 1.574 0.248
H  0.189 1.933 0.913
H  -0.628 3.157 -1.255
H  1.052 2.581 -1.122
H  0.583 1.876 -3.173
H  -1.101 1.726 -2.894
H  1.072 -0.258 -2.596
H  -0.516 -0.408 -3.387
H  -0.277 -1.745 -1.248
 18 
energy.map (99,3)
C 0.000 0.000 -2.496
C -0.552 -0.651 -1.248
C 0.000 0.000 0.000
C -0.395 1.455 0.059
C 0.000 2.238 -1.169
C -0.019 1.499 -2.476
H  -1.672 -0.581 -1.248
H  1.116 -0.090 0.012
H  -0.389 -0.530 0.908
H  -1.501 1.522 0.194
H  0.070 1.926 0.956
H  -0.661 3.136 -1.257
H  1.032 2.628 -1.011
H  0.832 1.839 -3.056
H  -0.901 1.825 -3.014
H  1.049 -0.339 -2.642
H  -0.574 -0.355 -3.382
H  -0.291 -1.742 -1.254
 18 
energy.map (100,0)
C 0.000 0.000 -2.500
C -0.555 -0.645 -1.251
C 0.000 0.000 0.000
C -0.449 1.441 0.067
C 0.000 2.242 -1.135
C 0.104 1.512 -2.463
H  -1.675 -0.566 -1.249
H  1.120 -0.054 -0.005
H  -0.362 -0.552 0.907
H  -1.569 1.469 0.140
H  -0.048 1.920 0.999
H  -0.694 3.115 -1.260
H  1.012 2.675 -0.900
H  1.081 1.802 -2.939
H  -0.701 1.923 -3.134
H  1.026 -0.421 -2.688
H  -0.633 -0.303 -3.376
H  -0.306 -1.739 -1.261
 18 
energy.map (100,1)
C 0.000 0.000 -2.499
C -0.557 -0.643 -1.250
C 0.000 0.000 0.000
C -0.442 1.443 0.069
C 0.000 2.242 -1.137
C 0.108 1.512 -2.463
H  -1.677 -0.559 -1.248
H  1.120 -0.059 -0.006
H  -0.364 -0.551 0.906
H  -1.561 1.476 0.151
H  -0.032 1.920 0.998
H  -0.700 3.110 -1.263
H  1.009 2.683 -0.905
H  1.086 1.800 -2.937
H  -0.694 1.923 -3.138
H  1.025 -0.425 -2.685
H  -0.633 -0.303 -3.376
H  -0.312 -1.738 -1.260
 18 
energy.map (100,2)
C 0.000 0.000 -2.499
C -0.559 -0.641 -1.250
C 0.000 0.000 0.000
C -0.435 1.445 0.071
C 0.000 2.242 -1.139
C 0.112 1.511 -2.464
H  -1.679 -0.552 -1.246
H  1.119 -0.064 -0.007
H  -0.366 -0.549 0.905
H  -1.553 1.483 0.162
H  -0.015 1.921 0.996
H  -0.707 3.105 -1.266
H  1.006 2.692 -0.909
H  1.092 1.798 -2.935
H  -0.686 1.923 -3.143
H  1.024 -0.428 -2.683
H  -0.633 -0.302 -3.375
H  -0.318 -1.736 -1.258
 18 
energy.map (100,3)
C 0.000 0.000 -2.498
C -0.561 -0.638 -1.249
C 0.000 0.000 0.000
C -0.427 1.447 0.073
C 0.000 2.242 -1.141
C 0.115 1.511 -2.464
H  -1.680 -0.544 -1.245
H  1.119 -0.069 -0.007
H  -0.367 -0.548 0.904
H  -1.545 1.489 0.172
H  0.001 1.921 0.994
H  -0.714 3.100 -1.269
H  1.003 2.700 -0.914
H  1.097 1.795 -2.932
H  -0.679 1.922 -3.147
H  1.022 -0.432 -2.680
H  -0.633 -0.302 -3.375
H  -0.323 -1.735 -1.257
 18 
energy.map (101,0)
C 0.000 0.000 -2.497
C -0.563 -0.636 -1.248
C 0.000 0.000 0.000
C -0.420 1.449 0.075
C 0.000 2.242 -1.143
C 0.119 1.510 -2.464
H  -1.682 -0.537 -1.243
H  1.118 -0.074 -0.008
H  -0.369 -0.546 0.903
H  -1.537 1.496 0.183
H  0.018 1.921 0.993
H  -0.720 3.095 -1.272
H  1.000 2.708 -0.918
H  1.102 1.793 -2.930
H  -0.671 1.922 -3.151
H  1.021 -0.435 -2.677
H  -0.633 -0.301 -3.374
H  -0.329 -1.733 -1.255
 18 
energy.map (101,1)
C 0.000 0.000 -2.497
C -0.568 -0.634 -1.249
C 0.000 0.000 0.000
C -0.412 1.452 0.077
C 0.000 2.243 -1.146
C 0.122 1.510 -2.465
H  -1.686 -0.527 -1.244
H  1.118 -0.080 -0.009
H  -0.371 -0.544 0.904
H  -1.528 1.504 0.195
H  0.036 1.922 0.990
H  -0.726 3.091 -1.275
H  0.997 2.717 -0.924
H  1.108 1.788 -2.927
H  -0.665 1.923 -3.156
H  1.021 -0.437 -2.674
H  -0.632 -0.299 -3.375
H  -0.340 -1.732 -1.255
 18 
energy.map (101,2)
C 0.000 0.000 -2.496
C -0.573 -0.631 -1.249
C 0.000 0.000 0.000
C -0.404 1.454 0.078
C 0.000 2.244 -1.148
C 0.125 1.510 -2.466
H  -1.690 -0.516 -1.245
H  1.118 -0.086 -0.010
H  -0.373 -0.543 0.905
H  -1.518 1.512 0.206
H  0.055 1.923 0.988
H  -0.732 3.087 -1.278
H  0.994 2.726 -0.930
H  1.115 1.782 -2.925
H  -0.658 1.925 -3.160
H  1.021 -0.438 -2.670
H  -0.630 -0.298 -3.377
H  -0.351 -1.730 -1.255
 18 
energy.map (101,3)
C 0.000 0.000 -2.496
C -0.578 -0.629 -1.250
C 0.000 0.000 0.000
C -0.396 1.457 0.080
C 0.000 2.245 -1.151
C 0.127 1.509 -2.467
H  -1.693 -0.506 -1.245
H  1.117 -0.093 -0.011
H  -0.374 -0.541 0.906
H  -1.509 1.519 0.218
H  0.073 1.923 0.985
H  -0.737 3.083 -1.281
H  0.991 2.734 -0.936
H  1.121 1.777 -2.922
H  -0.652 1.926 -3.165
H  1.021 -0.440 -2.667
H  -0.629 -0.296 -3.378
H  -0.362 -1.729 -1.255
 18 
energy.map (102,0)
C 0.000 0.000 -2.495
C -0.583 -0.626 -1.250
C 0.000 0.000 0.000
C -0.388 1.459 0.081
C 0.000 2.246 -1.153
C 0.130 1.509 -2.468
H  -1.697 -0.495 -1.246
H  1.117 -0.099 -0.012
H  -0.376 -0.539 0.907
H  -1.499 1.527 0.229
H  0.091 1.924 0.982
H  -0.743 3.079 -1.284
H  0.988 2.743 -0.942
H  1.127 1.771 -2.919
H  -0.645 1.927 -3.169
H  1.021 -0.441 -2.663
H  -0.627 -0.294 -3.379
H  -0.373 -1.727 -1.255
 18 
energy.map (102,1)
C 0.000 0.000 -2.493
C -0.589 -0.621 -1.248
C 0.000 0.000 0.000
C -0.380 1.461 0.083
C 0.000 2.247 -1.154
C 0.132 1.509 -2.469
H  -1.702 -0.482 -1.244
H  1.117 -0.104 -0.014
H  -0.378 -0.539 0.907
H  -1.489 1.534 0.241
H  0.109 1.925 0.979
H  -0.750 3.075 -1.285
H  0.985 2.752 -0.947
H  1.129 1.771 -2.919
H  -0.642 1.928 -3.171
H  1.021 -0.443 -2.655
H  -0.623 -0.296 -3.379
H  -0.387 -1.724 -1.253
 18 
energy.map (102,2)
C 0.000 0.000 -2.490
C -0.595 -0.617 -1.247
C 0.000 0.000 0.000
C -0.371 1.462 0.085
C 0.000 2.249 -1.155
C 0.134 1.509 -2.469
H  -1.706 -0.468 -1.241
H  1.116 -0.109 -0.017
H  -0.381 -0.539 0.907
H  -1.479 1.541 0.254
H  0.127 1.926 0.976
H  -0.756 3.070 -1.285
H  0.982 2.761 -0.952
H  1.131 1.771 -2.918
H  -0.638 1.928 -3.173
H  1.021 -0.445 -2.647
H  -0.619 -0.298 -3.378
H  -0.400 -1.721 -1.252
 18 
energy.map (102,3)
C 0.000 0.000 -2.488
C -0.600 -0.613 -1.245
C 0.000 0.000 0.000
C -0.363 1.464 0.087
C 0.000 2.250 -1.156
C 0.135 1.509 -2.470
H  -1.711 -0.455 -1.239
H  1.116 -0.114 -0.019
H  -0.383 -0.538 0.906
H  -1.468 1.547 0.266
H  0.145 1.926 0.974
H  -0.763 3.066 -1.286
H  0.978 2.769 -0.956
H  1.133 1.770 -2.918
H  -0.635 1.929 -3.175
H  1.021 -0.447 -2.638
H  -0.616 -0.299 -3.378
H  -0.414 -1.718 -1.250
 18 
energy.map (103,0)
C 0.000 0.000 -2.485
C -0.606 -0.608 -1.243
C 0.000 0.000 0.000
C -0.354 1.465 0.089
C 0.000 2.251 -1.157
C 0.137 1.509 -2.470
H  -1.715 -0.441 -1.236
H  1.115 -0.119 -0.021
H  -0.385 -0.538 0.906
H  -1.458 1.554 0.278
H  0.163 1.927 0.971
H  -0.769 3.061 -1.286
H  0.975 2.778 -0.961
H  1.135 1.770 -2.917
H  -0.631 1.929 -3.177
H  1.021 -0.449 -2.630
H  -0.612 -0.301 -3.377
H  -0.427 -1.715 -1.248
 18 
energy.map (103,1)
C 0.000 0.000 -2.484
C -0.613 -0.603 -1.243
C 0.000 0.000 0.000
C -0.345 1.467 0.090
C 0.000 2.252 -1.159
C 0.138 1.509 -2.472
H  -1.720 -0.427 -1.235
H  1.114 -0.131 -0.022
H  -0.388 -0.535 0.906
H  -1.447 1.562 0.291
H  0.183 1.925 0.968
H  -0.775 3.057 -1.286
H  0.972 2.786 -0.968
H  1.138 1.766 -2.917
H  -0.630 1.928 -3.179
H  1.021 -0.452 -2.624
H  -0.609 -0.303 -3.378
H  -0.444 -1.712 -1.248
 18 
energy.map (103,2)
C 0.000 0.000 -2.483
C -0.619 -0.599 -1.243
C 0.000 0.000 0.000
C -0.337 1.469 0.092
C 0.000 2.253 -1.160
C 0.139 1.509 -2.474
H  -1.725 -0.414 -1.235
H  1.112 -0.143 -0.022
H  -0.392 -0.533 0.907
H  -1.436 1.569 0.303
H  0.203 1.924 0.964
H  -0.780 3.053 -1.287
H  0.970 2.793 -0.974
H  1.141 1.762 -2.917
H  -0.629 1.927 -3.181
H  1.020 -0.454 -2.618
H  -0.605 -0.306 -3.378
H  -0.461 -1.709 -1.248
 18 
energy.map (103,3)
C 0.000 0.000 -2.482
C -0.625 -0.594 -1.242
C 0.000 0.000 0.000
C -0.328 1.470 0.093
C 0.000 2.254 -1.162
C 0.140 1.508 -2.475
H  -1.729 -0.400 -1.234
H  1.111 -0.155 -0.023
H  -0.395 -0.530 0.907
H  -1.424 1.577 0.316
H  0.223 1.922 0.960
H  -0.786 3.048 -1.287
H  0.968 2.801 -0.980
H  1.143 1.758 -2.917
H  -0.627 1.926 -3.183
H  1.020 -0.457 -2.612
H  -0.602 -0.308 -3.379
H  -0.478 -1.705 -1.248
 18 
energy.map (104,0)
C 0.000 0.000 -2.481
C -0.632 -0.589 -1.242
C 0.000 0.000 0.000
C -0.319 1.472 0.094
C 0.000 2.255 -1.163
C 0.141 1.508 -2.477
H  -1.734 -0.386 -1.233
H  1.109 -0.167 -0.023
H  -0.398 -0.527 0.907
H  -1.413 1.584 0.328
H  0.243 1.920 0.957
H  -0.791 3.044 -1.287
H  0.965 2.808 -0.987
H  1.146 1.754 -2.917
H  -0.626 1.925 -3.185
H  1.019 -0.459 -2.606
H  -0.599 -0.310 -3.379
H  -0.495 -1.702 -1.248
 18 
energy.map (104,1)
C 0.000 0.000 -2.479
C -0.637 -0.584 -1.241
C 0.000 0.000 0.000
C -0.310 1.474 0.097
C 0.000 2.257 -1.163
C 0.141 1.509 -2.477
H  -1.737 -0.371 -1.232
H  1.108 -0.171 -0.026
H  -0.397 -0.525 0.909
H  -1.401 1.591 0.341
H  0.263 1.918 0.954
H  -0.797 3.040 -1.286
H  0.961 2.817 -0.990
H  1.146 1.756 -2.917
H  -0.625 1.927 -3.185
H  1.020 -0.459 -2.598
H  -0.596 -0.311 -3.379
H  -0.510 -1.698 -1.248
 18 
energy.map (104,2)
C 0.000 0.000 -2.477
C -0.642 -0.579 -1.240
C 0.000 0.000 0.000
C -0.301 1.475 0.099
C 0.000 2.259 -1.163
C 0.142 1.511 -2.477
H  -1.740 -0.356 -1.231
H  1.108 -0.175 -0.029
H  -0.396 -0.523 0.911
H  -1.388 1.599 0.355
H  0.282 1.916 0.951
H  -0.803 3.036 -1.284
H  0.957 2.826 -0.994
H  1.146 1.758 -2.916
H  -0.625 1.928 -3.185
H  1.021 -0.458 -2.590
H  -0.593 -0.311 -3.378
H  -0.526 -1.695 -1.247
 18 
energy.map (104,3)
C 0.000 0.000 -2.474
C -0.647 -0.575 -1.238
C 0.000 0.000 0.000
C -0.291 1.477 0.102
C 0.000 2.260 -1.162
C 0.142 1.512 -2.476
H  -1.743 -0.341 -1.230
H  1.107 -0.179 -0.032
H  -0.394 -0.521 0.912
H  -1.376 1.606 0.368
H  0.302 1.914 0.948
H  -0.808 3.032 -1.283
H  0.953 2.835 -0.997
H  1.146 1.760 -2.916
H  -0.624 1.930 -3.185
H  1.021 -0.458 -2.582
H  -0.589 -0.312 -3.378
H  -0.541 -1.691 -1.247
 18 
energy.map (105,0)
C 0.000 0.000 -2.472
C -0.652 -0.570 -1.237
C 0.000 0.000 0.000
C -0.282 1.478 0.104
C 0.000 2.262 -1.162
C 0.142 1.513 -2.476
H  -1.746 -0.326 -1.229
H  1.106 -0.183 -0.035
H  -0.393 -0.519 0.914
H  -1.363 1.613 0.381
H  0.321 1.912 0.945
H  -0.814 3.028 -1.281
H  0.949 2.844 -1.001
H  1.146 1.762 -2.915
H  -0.623 1.931 -3.185
H  1.022 -0.457 -2.574
H  -0.586 -0.312 -3.377
H  -0.556 -1.687 -1.246
 18 
energy.map (105,1)
C 0.000 0.000 -2.472
C -0.657 -0.565 -1.237
C 0.000 0.000 0.000
C -0.273 1.480 0.104
C 0.000 2.263 -1.165
C 0.142 1.512 -2.478
H  -1.749 -0.314 -1.230
H  1.105 -0.188 -0.038
H  -0.395 -0.517 0.914
H  -1.350 1.622 0.392
H  0.342 1.911 0.938
H  -0.819 3.023 -1.284
H  0.946 2.852 -1.009
H  1.146 1.761 -2.919
H  -0.623 1.929 -3.188
H  1.022 -0.459 -2.569
H  -0.583 -0.315 -3.378
H  -0.569 -1.683 -1.245
 18 
energy.map (105,2)
C 0.000 0.000 -2.472
C -0.662 -0.561 -1.237
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C -0.263 1.482 0.104
C 0.000 2.264 -1.168
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H  -1.752 -0.301 -1.231
H  1.105 -0.193 -0.042
H  -0.397 -0.514 0.914
H  -1.337 1.631 0.402
H  0.362 1.911 0.932
H  -0.825 3.017 -1.286
H  0.942 2.860 -1.017
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H  -0.624 1.926 -3.191
H  1.022 -0.460 -2.565
H  -0.581 -0.318 -3.379
H  -0.582 -1.679 -1.245
 18 
energy.map (105,3)
C 0.000 0.000 -2.471
C -0.667 -0.556 -1.236
C 0.000 0.000 0.000
C -0.254 1.484 0.104
C 0.000 2.264 -1.171
C 0.141 1.509 -2.483
H  -1.755 -0.289 -1.232
H  1.104 -0.197 -0.045
H  -0.399 -0.512 0.914
H  -1.323 1.639 0.413
H  0.383 1.910 0.925
H  -0.830 3.012 -1.289
H  0.939 2.867 -1.024
H  1.145 1.760 -2.926
H  -0.625 1.924 -3.194
H  1.021 -0.462 -2.560
H  -0.578 -0.320 -3.379
H  -0.595 -1.674 -1.244
 18 
energy.map (106,0)
C 0.000 0.000 -2.471
C -0.672 -0.551 -1.236
C 0.000 0.000 0.000
C -0.244 1.486 0.104
C 0.000 2.265 -1.174
C 0.141 1.508 -2.485
H  -1.758 -0.276 -1.233
H  1.103 -0.202 -0.048
H  -0.401 -0.509 0.914
H  -1.310 1.648 0.423
H  0.403 1.909 0.918
H  -0.835 3.006 -1.291
H  0.935 2.875 -1.032
H  1.144 1.759 -2.929
H  -0.625 1.921 -3.197
H  1.021 -0.463 -2.555
H  -0.575 -0.323 -3.380
H  -0.608 -1.670 -1.243
 18 
energy.map (106,1)
C 0.000 0.000 -2.470
C -0.676 -0.548 -1.236
C 0.000 0.000 0.000
C -0.234 1.488 0.105
C 0.000 2.266 -1.175
C 0.140 1.508 -2.486
H  -1.760 -0.268 -1.232
H  1.101 -0.211 -0.047
H  -0.403 -0.506 0.915
H  -1.295 1.656 0.436
H  0.424 1.907 0.912
H  -0.841 3.002 -1.289
H  0.932 2.882 -1.038
H  1.143 1.759 -2.931
H  -0.627 1.920 -3.197
H  1.022 -0.463 -2.550
H  -0.572 -0.325 -3.380
H  -0.617 -1.667 -1.243
 18 
energy.map (106,2)
C 0.000 0.000 -2.469
C -0.679 -0.545 -1.235
C 0.000 0.000 0.000
C -0.225 1.489 0.107
C 0.000 2.266 -1.177
C 0.140 1.508 -2.486
H  -1.763 -0.259 -1.231
H  1.100 -0.219 -0.047
H  -0.404 -0.504 0.916
H  -1.281 1.663 0.449
H  0.445 1.904 0.907
H  -0.846 2.997 -1.288
H  0.928 2.888 -1.045
H  1.141 1.758 -2.933
H  -0.628 1.919 -3.198
H  1.022 -0.463 -2.544
H  -0.569 -0.327 -3.380
H  -0.625 -1.664 -1.243
 18 
energy.map (106,3)
C 0.000 0.000 -2.467
C -0.683 -0.541 -1.235
C 0.000 0.000 0.000
C -0.215 1.491 0.108
C 0.000 2.267 -1.178
C 0.139 1.507 -2.487
H  -1.765 -0.251 -1.230
H  1.098 -0.228 -0.046
H  -0.406 -0.501 0.917
H  -1.266 1.671 0.462
H  0.465 1.902 0.901
H  -0.851 2.993 -1.286
H  0.925 2.895 -1.051
H  1.140 1.758 -2.934
H  -0.629 1.918 -3.198
H  1.023 -0.462 -2.539
H  -0.566 -0.329 -3.379
H  -0.634 -1.661 -1.242
 18 
energy.map (107,0)
C 0.000 0.000 -2.466
C -0.686 -0.538 -1.234
C 0.000 0.000 0.000
C -0.205 1.492 0.109
C 0.000 2.267 -1.179
C 0.138 1.507 -2.487
H  -1.767 -0.242 -1.229
H  1.096 -0.236 -0.045
H  -0.407 -0.498 0.918
H  -1.251 1.678 0.475
H  0.486 1.899 0.895
H  -0.857 2.988 -1.284
H  0.921 2.901 -1.057
H  1.138 1.757 -2.936
H  -0.631 1.917 -3.198
H  1.023 -0.462 -2.533
H  -0.563 -0.331 -3.379
H  -0.643 -1.658 -1.242
 18 
energy.map (107,1)
C 0.000 0.000 -2.467
C -0.686 -0.537 -1.235
C 0.000 0.000 0.000
C -0.206 1.491 0.111
C 0.000 2.269 -1.176
C 0.158 1.505 -2.478
H  -1.767 -0.240 -1.230
H  1.096 -0.236 -0.046
H  -0.407 -0.500 0.917
H  -1.253 1.676 0.476
H  0.483 1.897 0.899
H  -0.865 2.978 -1.290
H  0.912 2.915 -1.048
H  1.171 1.742 -2.902
H  -0.586 1.927 -3.207
H  1.016 -0.475 -2.544
H  -0.573 -0.317 -3.379
H  -0.644 -1.657 -1.241
 18 
energy.map (107,2)
C 0.000 0.000 -2.469
C -0.686 -0.537 -1.235
C 0.000 0.000 0.000
C -0.208 1.491 0.113
C 0.000 2.272 -1.172
C 0.178 1.503 -2.469
H  -1.767 -0.238 -1.231
H  1.096 -0.235 -0.046
H  -0.408 -0.501 0.917
H  -1.255 1.674 0.477
H  0.480 1.896 0.902
H  -0.873 2.968 -1.296
H  0.903 2.928 -1.040
H  1.204 1.726 -2.868
H  -0.541 1.937 -3.216
H  1.009 -0.487 -2.554
H  -0.583 -0.303 -3.378
H  -0.645 -1.656 -1.241
 18 
energy.map (107,3)
C 0.000 0.000 -2.470
C -0.686 -0.536 -1.236
C 0.000 0.000 0.000
C -0.209 1.490 0.114
C 0.000 2.274 -1.169
C 0.197 1.501 -2.460
H  -1.766 -0.235 -1.231
H  1.096 -0.235 -0.047
H  -0.408 -0.502 0.916
H  -1.257 1.672 0.477
H  0.477 1.894 0.906
H  -0.882 2.958 -1.301
H  0.893 2.942 -1.031
H  1.236 1.711 -2.834
H  -0.496 1.946 -3.224
H  1.002 -0.500 -2.565
H  -0.592 -0.289 -3.378
H  -0.645 -1.655 -1.240
 18 
energy.map (108,0)
C 0.000 0.000 -2.471
C -0.686 -0.535 -1.236
C 0.000 0.000 0.000
C -0.210 1.489 0.116
C 0.000 2.276 -1.165
C 0.217 1.499 -2.451
H  -1.766 -0.233 -1.232
H  1.096 -0.234 -0.047
H  -0.408 -0.504 0.915
H  -1.259 1.670 0.478
H  0.474 1.892 0.909
H  -0.890 2.948 -1.307
H  0.884 2.955 -1.022
H  1.269 1.695 -2.800
H  -0.451 1.956 -3.233
H  0.995 -0.512 -2.575
H  -0.602 -0.275 -3.377
H  -0.646 -1.654 -1.239
 18 
energy.map (108,1)
C 0.000 0.000 -2.471
C -0.689 -0.531 -1.237
C 0.000 0.000 0.000
C -0.209 1.490 0.117
C 0.000 2.272 -1.167
C 0.231 1.497 -2.451
H  -1.767 -0.222 -1.233
H  1.096 -0.235 -0.049
H  -0.408 -0.504 0.915
H  -1.257 1.672 0.481
H  0.478 1.892 0.908
H  -0.897 2.934 -1.315
H  0.875 2.962 -1.022
H  1.291 1.682 -2.780
H  -0.419 1.960 -3.243
H  0.990 -0.521 -2.578
H  -0.606 -0.269 -3.377
H  -0.658 -1.651 -1.241
 18 
energy.map (108,2)
C 0.000 0.000 -2.472
C -0.692 -0.527 -1.237
C 0.000 0.000 0.000
C -0.208 1.491 0.118
C 0.000 2.269 -1.169
C 0.246 1.495 -2.450
H  -1.768 -0.212 -1.234
H  1.095 -0.237 -0.052
H  -0.407 -0.505 0.915
H  -1.255 1.674 0.483
H  0.482 1.893 0.907
H  -0.903 2.920 -1.324
H  0.867 2.968 -1.022
H  1.312 1.669 -2.761
H  -0.387 1.965 -3.252
H  0.985 -0.530 -2.582
H  -0.610 -0.262 -3.376
H  -0.670 -1.647 -1.243
 18 
energy.map (108,3)
C 0.000 0.000 -2.472
C -0.695 -0.523 -1.238
C 0.000 0.000 0.000
C -0.206 1.491 0.119
C 0.000 2.265 -1.170
C 0.260 1.492 -2.450
H  -1.769 -0.201 -1.235
H  1.095 -0.238 -0.054
H  -0.407 -0.506 0.914
H  -1.252 1.676 0.486
H  0.485 1.893 0.906
H  -0.910 2.906 -1.332
H  0.859 2.975 -1.022
H  1.334 1.655 -2.741
H  -0.354 1.969 -3.262
H  0.980 -0.538 -2.585
H  -0.614 -0.256 -3.376
H  -0.681 -1.644 -1.244
 18 
energy.map (109,0)
C 0.000 0.000 -2.472
C -0.698 -0.519 -1.238
C 0.000 0.000 0.000
C -0.205 1.492 0.120
C 0.000 2.261 -1.172
C 0.274 1.490 -2.449
H  -1.770 -0.190 -1.236
H  1.094 -0.239 -0.056
H  -0.406 -0.506 0.914
H  -1.250 1.678 0.488
H  0.489 1.893 0.905
H  -0.916 2.892 -1.340
H  0.850 2.981 -1.022
H  1.355 1.642 -2.721
H  -0.322 1.973 -3.271
H  0.975 -0.547 -2.588
H  -0.618 -0.249 -3.375
H  -0.693 -1.640 -1.246
 18 
energy.map (109,1)
C 0.000 0.000 -2.471
C -0.702 -0.515 -1.238
C 0.000 0.000 0.000
C -0.200 1.492 0.121
C 0.000 2.260 -1.172
C 0.283 1.489 -2.448
H  -1.772 -0.179 -1.236
H  1.093 -0.244 -0.057
H  -0.406 -0.507 0.914
H  -1.243 1.682 0.495
H  0.500 1.892 0.902
H  -0.921 2.883 -1.343
H  0.843 2.989 -1.023
H  1.366 1.635 -2.709
H  -0.304 1.975 -3.275
H  0.972 -0.553 -2.586
H  -0.618 -0.246 -3.375
H  -0.702 -1.636 -1.245
 18 
energy.map (109,2)
C 0.000 0.000 -2.471
C -0.706 -0.511 -1.237
C 0.000 0.000 0.000
C -0.196 1.493 0.122
C 0.000 2.260 -1.172
C 0.291 1.488 -2.447
H  -1.774 -0.169 -1.236
H  1.092 -0.248 -0.059
H  -0.406 -0.508 0.913
H  -1.235 1.687 0.502
H  0.511 1.890 0.900
H  -0.927 2.874 -1.347
H  0.835 2.997 -1.024
H  1.378 1.628 -2.698
H  -0.285 1.976 -3.278
H  0.969 -0.559 -2.584
H  -0.619 -0.242 -3.375
H  -0.712 -1.631 -1.244
 18 
energy.map (109,3)
C 0.000 0.000 -2.470
C -0.711 -0.506 -1.237
C 0.000 0.000 0.000
C -0.191 1.493 0.123
C 0.000 2.259 -1.172
C 0.300 1.486 -2.445
H  -1.776 -0.158 -1.235
H  1.090 -0.253 -0.060
H  -0.406 -0.508 0.913
H  -1.228 1.691 0.510
H  0.521 1.889 0.897
H  -0.932 2.864 -1.350
H  0.827 3.004 -1.025
H  1.389 1.621 -2.686
H  -0.267 1.978 -3.282
H  0.966 -0.564 -2.582
H  -0.619 -0.239 -3.374
H  -0.722 -1.627 -1.243
 18 
energy.map (110,0)
C 0.000 0.000 -2.469
C -0.715 -0.502 -1.236
C 0.000 0.000 0.000
C -0.186 1.493 0.124
C 0.000 2.258 -1.172
C 0.308 1.485 -2.444
H  -1.778 -0.147 -1.235
H  1.089 -0.257 -0.061
H  -0.406 -0.509 0.912
H  -1.220 1.695 0.517
H  0.532 1.887 0.894
H  -0.937 2.855 -1.353
H  0.820 3.012 -1.026
H  1.400 1.614 -2.674
H  -0.248 1.979 -3.285
H  0.963 -0.570 -2.580
H  -0.619 -0.235 -3.374
H  -0.731 -1.622 -1.242
 18 
energy.map (110,1)
C 0.000 0.000 -2.469
C -0.715 -0.500 -1.236
C 0.000 0.000 0.000
C -0.177 1.494 0.123
C 0.000 2.261 -1.174
C 0.309 1.485 -2.444
H  -1.778 -0.143 -1.234
H  1.089 -0.260 -0.061
H  -0.410 -0.504 0.913
H  -1.205 1.702 0.526
H  0.550 1.885 0.886
H  -0.942 2.850 -1.353
H  0.816 3.020 -1.032
H  1.403 1.612 -2.671
H  -0.244 1.979 -3.287
H  0.962 -0.571 -2.580
H  -0.619 -0.234 -3.374
H  -0.734 -1.621 -1.242
 18 
energy.map (110,2)
C 0.000 0.000 -2.469
C -0.716 -0.499 -1.236
C 0.000 0.000 0.000
C -0.168 1.496 0.122
C 0.000 2.264 -1.176
C 0.311 1.485 -2.444
H  -1.777 -0.139 -1.232
H  1.088 -0.263 -0.062
H  -0.414 -0.500 0.914
H  -1.191 1.709 0.534
H  0.569 1.882 0.877
H  -0.947 2.846 -1.353
H  0.812 3.029 -1.038
H  1.405 1.609 -2.668
H  -0.240 1.979 -3.289
H  0.962 -0.571 -2.581
H  -0.620 -0.234 -3.374
H  -0.738 -1.620 -1.242
 18 
energy.map (110,3)
C 0.000 0.000 -2.468
C -0.716 -0.498 -1.236
C 0.000 0.000 0.000
C -0.158 1.497 0.120
C 0.000 2.267 -1.178
C 0.312 1.484 -2.443
H  -1.777 -0.135 -1.231
H  1.088 -0.265 -0.062
H  -0.418 -0.495 0.914
H  -1.176 1.716 0.543
H  0.587 1.880 0.869
H  -0.951 2.841 -1.353
H  0.807 3.037 -1.043
H  1.408 1.607 -2.665
H  -0.235 1.979 -3.291
H  0.962 -0.571 -2.581
H  -0.621 -0.233 -3.374
H  -0.741 -1.618 -1.242
 18 
energy.map (111,0)
C 0.000 0.000 -2.468
C -0.716 -0.496 -1.236
C 0.000 0.000 0.000
C -0.149 1.498 0.119
C 0.000 2.270 -1.180
C 0.313 1.484 -2.443
H  -1.776 -0.131 -1.229
H  1.087 -0.268 -0.062
H  -0.422 -0.490 0.915
H  -1.161 1.723 0.551
H  0.605 1.877 0.860
H  -0.956 2.836 -1.353
H  0.803 3.045 -1.049
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H  -0.231 1.979 -3.293
H  0.961 -0.572 -2.581
H  -0.621 -0.232 -3.374
H  -0.744 -1.617 -1.242
 18 
energy.map (111,1)
C 0.000 0.000 -2.468
C -0.717 -0.495 -1.236
C 0.000 0.000 0.000
C -0.138 1.500 0.117
C 0.000 2.271 -1.184
C 0.310 1.484 -2.446
H  -1.776 -0.127 -1.231
H  1.084 -0.280 -0.057
H  -0.428 -0.485 0.916
H  -1.143 1.732 0.561
H  0.627 1.874 0.849
H  -0.960 2.831 -1.352
H  0.800 3.050 -1.058
H  1.406 1.607 -2.670
H  -0.239 1.977 -3.294
H  0.962 -0.570 -2.579
H  -0.619 -0.236 -3.375
H  -0.748 -1.616 -1.242
 18 
energy.map (111,2)
C 0.000 0.000 -2.469
C -0.718 -0.494 -1.236
C 0.000 0.000 0.000
C -0.126 1.501 0.115
C 0.000 2.271 -1.187
C 0.307 1.485 -2.449
H  -1.775 -0.123 -1.233
H  1.081 -0.293 -0.052
H  -0.434 -0.479 0.916
H  -1.124 1.740 0.571
H  0.650 1.871 0.837
H  -0.964 2.826 -1.351
H  0.796 3.054 -1.067
H  1.401 1.610 -2.678
H  -0.246 1.975 -3.296
H  0.964 -0.569 -2.576
H  -0.617 -0.239 -3.375
H  -0.752 -1.614 -1.241
 18 
energy.map (111,3)
C 0.000 0.000 -2.469
C -0.718 -0.492 -1.236
C 0.000 0.000 0.000
C -0.115 1.503 0.113
C 0.000 2.272 -1.191
C 0.303 1.485 -2.451
H  -1.775 -0.118 -1.234
H  1.078 -0.305 -0.047
H  -0.439 -0.474 0.917
H  -1.106 1.749 0.581
H  0.673 1.867 0.825
H  -0.969 2.820 -1.350
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H  1.397 1.612 -2.685
H  -0.254 1.973 -3.297
H  0.965 -0.567 -2.574
H  -0.616 -0.243 -3.376
H  -0.756 -1.613 -1.241
 18 
energy.map (112,0)
C 0.000 0.000 -2.469
C -0.719 -0.491 -1.236
C 0.000 0.000 0.000
C -0.103 1.504 0.111
C 0.000 2.272 -1.194
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H  -1.774 -0.114 -1.236
H  1.075 -0.317 -0.042
H  -0.445 -0.468 0.917
H  -1.087 1.757 0.591
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H  0.789 3.063 -1.084
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H  -0.261 1.971 -3.298
H  0.966 -0.565 -2.571
H  -0.614 -0.246 -3.376
H  -0.760 -1.611 -1.240
 18 
energy.map (112,1)
C 0.000 0.000 -2.469
C -0.722 -0.487 -1.236
C 0.000 0.000 0.000
C -0.090 1.505 0.111
C 0.000 2.271 -1.196
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H  -1.775 -0.104 -1.235
H  1.073 -0.324 -0.043
H  -0.448 -0.465 0.917
H  -1.064 1.766 0.604
H  0.721 1.859 0.801
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H  0.786 3.066 -1.092
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H  -0.279 1.969 -3.298
H  0.968 -0.562 -2.564
H  -0.609 -0.253 -3.377
H  -0.769 -1.606 -1.240
 18 
energy.map (112,2)
C 0.000 0.000 -2.468
C -0.726 -0.482 -1.236
C 0.000 0.000 0.000
C -0.077 1.505 0.110
C 0.000 2.270 -1.198
C 0.287 1.487 -2.466
H  -1.777 -0.095 -1.234
H  1.071 -0.331 -0.043
H  -0.451 -0.462 0.917
H  -1.042 1.776 0.617
H  0.746 1.854 0.788
H  -0.980 2.804 -1.339
H  0.783 3.070 -1.101
H  1.372 1.628 -2.725
H  -0.296 1.967 -3.299
H  0.970 -0.560 -2.557
H  -0.605 -0.261 -3.378
H  -0.779 -1.602 -1.239
 18 
energy.map (112,3)
C 0.000 0.000 -2.468
C -0.729 -0.478 -1.235
C 0.000 0.000 0.000
C -0.064 1.506 0.110
C 0.000 2.269 -1.200
C 0.280 1.488 -2.471
H  -1.778 -0.085 -1.233
H  1.068 -0.338 -0.044
H  -0.454 -0.459 0.916
H  -1.019 1.785 0.631
H  0.772 1.849 0.775
H  -0.984 2.799 -1.333
H  0.779 3.073 -1.109
H  1.361 1.635 -2.741
H  -0.314 1.964 -3.299
H  0.973 -0.557 -2.549
H  -0.600 -0.268 -3.378
H  -0.788 -1.597 -1.239
 18 
energy.map (113,0)
C 0.000 0.000 -2.467
C -0.732 -0.473 -1.235
C 0.000 0.000 0.000
C -0.051 1.506 0.109
C 0.000 2.268 -1.202
C 0.273 1.489 -2.477
H  -1.779 -0.075 -1.232
H  1.066 -0.345 -0.044
H  -0.457 -0.456 0.916
H  -0.996 1.794 0.644
H  0.798 1.844 0.762
H  -0.987 2.793 -1.328
H  0.776 3.076 -1.117
H  1.351 1.641 -2.757
H  -0.331 1.962 -3.299
H  0.975 -0.554 -2.542
H  -0.595 -0.275 -3.379
H  -0.797 -1.592 -1.238
 18 
energy.map (113,1)
C 0.000 0.000 -2.465
C -0.736 -0.469 -1.233
C 0.000 0.000 0.000
C -0.039 1.507 0.110
C 0.000 2.267 -1.203
C 0.268 1.490 -2.480
H  -1.780 -0.064 -1.231
H  1.063 -0.354 -0.045
H  -0.460 -0.452 0.917
H  -0.975 1.802 0.657
H  0.821 1.838 0.751
H  -0.990 2.787 -1.322
H  0.772 3.079 -1.123
H  1.344 1.645 -2.767
H  -0.344 1.960 -3.297
H  0.977 -0.551 -2.533
H  -0.590 -0.280 -3.378
H  -0.810 -1.587 -1.237
 18 
energy.map (113,2)
C 0.000 0.000 -2.463
C -0.740 -0.465 -1.232
C 0.000 0.000 0.000
C -0.027 1.507 0.111
C 0.000 2.267 -1.203
C 0.263 1.491 -2.482
H  -1.782 -0.052 -1.230
H  1.061 -0.364 -0.045
H  -0.463 -0.448 0.918
H  -0.953 1.810 0.670
H  0.844 1.833 0.740
H  -0.994 2.782 -1.317
H  0.769 3.083 -1.129
H  1.336 1.650 -2.777
H  -0.356 1.958 -3.295
H  0.978 -0.549 -2.524
H  -0.585 -0.286 -3.377
H  -0.823 -1.582 -1.236
 18 
energy.map (113,3)
C 0.000 0.000 -2.460
C -0.743 -0.460 -1.230
C 0.000 0.000 0.000
C -0.014 1.508 0.112
C 0.000 2.266 -1.204
C 0.258 1.491 -2.485
H  -1.783 -0.041 -1.228
H  1.058 -0.373 -0.046
H  -0.465 -0.444 0.918
H  -0.932 1.817 0.682
H  0.867 1.827 0.730
H  -0.997 2.776 -1.311
H  0.765 3.086 -1.135
H  1.329 1.654 -2.786
H  -0.369 1.955 -3.293
H  0.980 -0.546 -2.515
H  -0.580 -0.291 -3.376
H  -0.835 -1.577 -1.234
 18 
energy.map (114,0)
C 0.000 0.000 -2.458
C -0.747 -0.456 -1.228
C 0.000 0.000 0.000
C -0.002 1.508 0.113
C 0.000 2.265 -1.204
C 0.253 1.492 -2.487
H  -1.784 -0.029 -1.227
H  1.055 -0.382 -0.046
H  -0.468 -0.440 0.919
H  -0.910 1.825 0.695
H  0.890 1.821 0.719
H  -1.000 2.770 -1.305
H  0.761 3.089 -1.141
H  1.321 1.658 -2.796
H  -0.381 1.953 -3.291
H  0.982 -0.543 -2.506
H  -0.575 -0.296 -3.375
H  -0.848 -1.572 -1.233
 18 
energy.map (114,1)
C 0.000 0.000 -2.459
C -0.750 -0.452 -1.229
C 0.000 0.000 0.000
C 0.009 1.508 0.112
C 0.000 2.264 -1.205
C 0.249 1.493 -2.490
H  -1.784 -0.020 -1.228
H  1.052 -0.389 -0.045
H  -0.472 -0.436 0.919
H  -0.888 1.832 0.705
H  0.911 1.815 0.706
H  -1.004 2.764 -1.300
H  0.757 3.092 -1.146
H  1.315 1.662 -2.805
H  -0.391 1.952 -3.291
H  0.983 -0.541 -2.503
H  -0.572 -0.299 -3.377
H  -0.853 -1.568 -1.233
 18 
energy.map (114,2)
C 0.000 0.000 -2.461
C -0.752 -0.448 -1.231
C 0.000 0.000 0.000
C 0.021 1.507 0.111
C 0.000 2.263 -1.206
C 0.245 1.495 -2.493
H  -1.785 -0.010 -1.229
H  1.049 -0.396 -0.044
H  -0.476 -0.431 0.919
H  -0.867 1.838 0.715
H  0.932 1.809 0.693
H  -1.007 2.757 -1.295
H  0.752 3.096 -1.151
H  1.309 1.666 -2.813
H  -0.401 1.952 -3.291
H  0.984 -0.539 -2.500
H  -0.569 -0.302 -3.379
H  -0.859 -1.563 -1.232
 18 
energy.map (114,3)
C 0.000 0.000 -2.462
C -0.755 -0.443 -1.232
C 0.000 0.000 0.000
C 0.032 1.507 0.110
C 0.000 2.262 -1.207
C 0.241 1.496 -2.496
H  -1.785 -0.001 -1.230
H  1.046 -0.403 -0.043
H  -0.480 -0.427 0.919
H  -0.845 1.845 0.725
H  0.953 1.803 0.680
H  -1.011 2.751 -1.290
H  0.748 3.099 -1.155
H  1.303 1.670 -2.822
H  -0.410 1.951 -3.290
H  0.986 -0.536 -2.496
H  -0.567 -0.304 -3.381
H  -0.864 -1.559 -1.232
 18 
energy.map (115,0)
C 0.000 0.000 -2.463
C -0.758 -0.439 -1.233
C 0.000 0.000 0.000
C 0.043 1.506 0.109
C 0.000 2.261 -1.208
C 0.237 1.497 -2.499
H  -1.785 0.009 -1.231
H  1.043 -0.410 -0.042
H  -0.484 -0.422 0.919
H  -0.823 1.851 0.735
H  0.974 1.797 0.667
H  -1.014 2.744 -1.285
H  0.744 3.102 -1.160
H  1.297 1.674 -2.830
H  -0.420 1.950 -3.290
H  0.987 -0.534 -2.493
H  -0.564 -0.307 -3.383
H  -0.869 -1.554 -1.231
 18 
energy.map (115,1)
C 0.000 0.000 -2.466
C -0.758 -0.437 -1.234
C 0.000 0.000 0.000
C 0.054 1.506 0.105
C 0.000 2.260 -1.211
C 0.234 1.498 -2.503
H  -1.784 0.013 -1.232
H  1.040 -0.418 -0.038
H  -0.490 -0.418 0.918
H  -0.801 1.858 0.742
H  0.994 1.791 0.652
H  -1.017 2.738 -1.283
H  0.740 3.105 -1.167
H  1.292 1.677 -2.838
H  -0.428 1.949 -3.291
H  0.988 -0.533 -2.494
H  -0.564 -0.310 -3.385
H  -0.872 -1.552 -1.234
 18 
energy.map (115,2)
C 0.000 0.000 -2.468
C -0.758 -0.435 -1.236
C 0.000 0.000 0.000
C 0.066 1.507 0.102
C 0.000 2.260 -1.213
C 0.231 1.498 -2.507
H  -1.783 0.016 -1.233
H  1.038 -0.425 -0.035
H  -0.495 -0.413 0.918
H  -0.779 1.865 0.749
H  1.013 1.785 0.637
H  -1.020 2.732 -1.280
H  0.735 3.109 -1.174
H  1.287 1.680 -2.847
H  -0.436 1.948 -3.292
H  0.988 -0.531 -2.494
H  -0.563 -0.312 -3.386
H  -0.875 -1.551 -1.236
 18 
energy.map (115,3)
C 0.000 0.000 -2.471
C -0.757 -0.433 -1.237
C 0.000 0.000 0.000
C 0.077 1.507 0.098
C 0.000 2.259 -1.216
C 0.227 1.499 -2.510
H  -1.782 0.020 -1.234
H  1.035 -0.433 -0.031
H  -0.500 -0.409 0.917
H  -0.757 1.871 0.756
H  1.033 1.779 0.621
H  -1.023 2.726 -1.278
H  0.730 3.112 -1.180
H  1.281 1.683 -2.855
H  -0.443 1.947 -3.292
H  0.989 -0.530 -2.495
H  -0.563 -0.315 -3.388
H  -0.879 -1.549 -1.239
 18 
energy.map (116,0)
C 0.000 0.000 -2.473
C -0.757 -0.431 -1.238
C 0.000 0.000 0.000
C 0.088 1.507 0.094
C 0.000 2.258 -1.218
C 0.224 1.499 -2.514
H  -1.781 0.023 -1.235
H  1.032 -0.440 -0.027
H  -0.506 -0.404 0.916
H  -0.735 1.878 0.763
H  1.052 1.773 0.606
H  -1.026 2.720 -1.275
H  0.726 3.115 -1.187
H  1.276 1.686 -2.863
H  -0.451 1.946 -3.293
H  0.990 -0.528 -2.495
H  -0.563 -0.317 -3.389
H  -0.882 -1.547 -1.241
 18 
energy.map (116,1)
C 0.000 0.000 -2.471
C -0.760 -0.429 -1.237
C 0.000 0.000 0.000
C 0.099 1.507 0.092
C 0.000 2.259 -1.220
C 0.221 1.499 -2.515
H  -1.782 0.030 -1.234
H  1.029 -0.448 -0.026
H  -0.508 -0.399 0.917
H  -0.713 1.884 0.770
H  1.071 1.766 0.591
H  -1.029 2.715 -1.271
H  0.722 3.119 -1.192
H  1.271 1.688 -2.869
H  -0.458 1.944 -3.293
H  0.991 -0.526 -2.488
H  -0.559 -0.322 -3.387
H  -0.890 -1.544 -1.240
 18 
energy.map (116,2)
C 0.000 0.000 -2.468
C -0.763 -0.427 -1.235
C 0.000 0.000 0.000
C 0.111 1.506 0.089
C 0.000 2.260 -1.222
C 0.218 1.499 -2.517
H  -1.783 0.037 -1.233
H  1.026 -0.456 -0.026
H  -0.511 -0.394 0.918
H  -0.690 1.890 0.777
H  1.091 1.760 0.575
H  -1.031 2.711 -1.266
H  0.718 3.123 -1.198
H  1.266 1.689 -2.875
H  -0.465 1.941 -3.292
H  0.992 -0.525 -2.482
H  -0.556 -0.326 -3.386
H  -0.898 -1.541 -1.238
 18 
energy.map (116,3)
C 0.000 0.000 -2.466
C -0.766 -0.425 -1.234
C 0.000 0.000 0.000
C 0.122 1.506 0.087
C 0.000 2.260 -1.223
C 0.214 1.498 -2.518
H  -1.784 0.044 -1.232
H  1.022 -0.463 -0.025
H  -0.513 -0.388 0.919
H  -0.668 1.895 0.784
H  1.110 1.753 0.560
H  -1.034 2.706 -1.262
H  0.715 3.126 -1.203
H  1.260 1.691 -2.880
H  -0.472 1.939 -3.292
H  0.993 -0.523 -2.475
H  -0.552 -0.331 -3.384
H  -0.905 -1.537 -1.237
 18 
energy.map (117,0)
C 0.000 0.000 -2.463
C -0.769 -0.423 -1.232
C 0.000 0.000 0.000
C 0.133 1.505 0.084
C 0.000 2.261 -1.225
C 0.211 1.498 -2.519
H  -1.785 0.051 -1.231
H  1.019 -0.471 -0.024
H  -0.515 -0.383 0.920
H  -0.645 1.901 0.791
H  1.129 1.746 0.544
H  -1.036 2.701 -1.257
H  0.711 3.130 -1.208
H  1.255 1.692 -2.886
H  -0.479 1.936 -3.291
H  0.994 -0.521 -2.468
H  -0.548 -0.335 -3.382
H  -0.913 -1.534 -1.235
 18 
energy.map (117,1)
C 0.000 0.000 -2.466
C -0.765 -0.426 -1.233
C 0.000 0.000 0.000
C 0.144 1.504 0.080
C 0.000 2.260 -1.228
C 0.207 1.499 -2.523
H  -1.784 0.041 -1.232
H  1.016 -0.478 -0.016
H  -0.523 -0.375 0.919
H  -0.621 1.907 0.796
H  1.148 1.739 0.527
H  -1.038 2.695 -1.253
H  0.707 3.133 -1.214
H  1.248 1.696 -2.895
H  -0.489 1.935 -3.291
H  0.996 -0.518 -2.473
H  -0.549 -0.337 -3.384
H  -0.903 -1.538 -1.236
 18 
energy.map (117,2)
C 0.000 0.000 -2.469
C -0.761 -0.429 -1.235
C 0.000 0.000 0.000
C 0.156 1.504 0.076
C 0.000 2.259 -1.230
C 0.202 1.499 -2.526
H  -1.783 0.031 -1.233
H  1.013 -0.486 -0.007
H  -0.531 -0.368 0.917
H  -0.598 1.912 0.802
H  1.166 1.731 0.509
H  -1.041 2.689 -1.248
H  0.702 3.135 -1.221
H  1.242 1.699 -2.904
H  -0.498 1.934 -3.291
H  0.997 -0.515 -2.478
H  -0.550 -0.339 -3.385
H  -0.892 -1.542 -1.236
 18 
energy.map (117,3)
C 0.000 0.000 -2.471
C -0.756 -0.432 -1.236
C 0.000 0.000 0.000
C 0.167 1.503 0.071
C 0.000 2.258 -1.233
C 0.198 1.500 -2.530
H  -1.782 0.021 -1.234
H  1.009 -0.493 0.002
H  -0.539 -0.360 0.916
H  -0.574 1.918 0.807
H  1.185 1.724 0.492
H  -1.043 2.683 -1.244
H  0.698 3.138 -1.227
H  1.235 1.703 -2.913
H  -0.508 1.932 -3.290
H  0.999 -0.512 -2.482
H  -0.551 -0.341 -3.387
H  -0.882 -1.545 -1.237
 18 
energy.map (118,0)
C 0.000 0.000 -2.474
C -0.752 -0.435 -1.237
C 0.000 0.000 0.000
C 0.178 1.502 0.067
C 0.000 2.257 -1.235
C 0.193 1.500 -2.533
H  -1.781 0.011 -1.235
H  1.006 -0.500 0.010
H  -0.547 -0.352 0.914
H  -0.550 1.923 0.812
H  1.203 1.716 0.474
H  -1.045 2.677 -1.239
H  0.694 3.140 -1.233
H  1.228 1.706 -2.922
H  -0.517 1.931 -3.290
H  1.001 -0.509 -2.487
H  -0.552 -0.343 -3.388
H  -0.871 -1.549 -1.237
 18 
energy.map (118,1)
C 0.000 0.000 -2.472
C -0.755 -0.432 -1.236
C 0.000 0.000 0.000
C 0.192 1.501 0.064
C 0.000 2.256 -1.236
C 0.184 1.501 -2.536
H  -1.781 0.021 -1.236
H  1.001 -0.509 0.012
H  -0.550 -0.345 0.915
H  -0.520 1.928 0.820
H  1.225 1.706 0.454
H  -1.046 2.673 -1.231
H  0.691 3.142 -1.238
H  1.213 1.712 -2.936
H  -0.537 1.927 -3.285
H  1.004 -0.503 -2.478
H  -0.546 -0.350 -3.387
H  -0.879 -1.545 -1.236
 18 
energy.map (118,2)
C 0.000 0.000 -2.471
C -0.759 -0.428 -1.235
C 0.000 0.000 0.000
C 0.206 1.499 0.060
C 0.000 2.255 -1.237
C 0.175 1.502 -2.540
H  -1.781 0.032 -1.238
H  0.996 -0.518 0.013
H  -0.552 -0.338 0.916
H  -0.490 1.933 0.828
H  1.246 1.696 0.434
H  -1.047 2.669 -1.223
H  0.688 3.143 -1.244
H  1.199 1.719 -2.951
H  -0.557 1.922 -3.281
H  1.007 -0.498 -2.470
H  -0.541 -0.357 -3.386
H  -0.888 -1.541 -1.235
 18 
energy.map (118,3)
C 0.000 0.000 -2.469
C -0.762 -0.425 -1.234
C 0.000 0.000 0.000
C 0.219 1.498 0.057
C 0.000 2.254 -1.237
C 0.166 1.502 -2.543
H  -1.781 0.042 -1.239
H  0.992 -0.526 0.015
H  -0.555 -0.331 0.917
H  -0.460 1.938 0.835
H  1.268 1.685 0.414
H  -1.048 2.664 -1.214
H  0.684 3.145 -1.249
H  1.184 1.725 -2.965
H  -0.576 1.918 -3.276
H  1.009 -0.492 -2.461
H  -0.535 -0.364 -3.384
H  -0.896 -1.537 -1.233
 18 
energy.map (119,0)
C 0.000 0.000 -2.467
C -0.765 -0.421 -1.233
C 0.000 0.000 0.000
C 0.233 1.496 0.053
C 0.000 2.253 -1.238
C 0.157 1.503 -2.546
H  -1.781 0.052 -1.240
H  0.987 -0.535 0.016
H  -0.557 -0.324 0.918
H  -0.430 1.943 0.843
H  1.289 1.675 0.394
H  -1.049 2.660 -1.206
H  0.681 3.146 -1.254
H  1.169 1.731 -2.979
H  -0.596 1.913 -3.271
H  1.012 -0.486 -2.452
H  -0.529 -0.371 -3.383
H  -0.904 -1.533 -1.232
 18 
energy.map (119,1)
C 0.000 0.000 -2.467
C -0.767 -0.419 -1.233
C 0.000 0.000 0.000
C 0.245 1.494 0.048
C 0.000 2.252 -1.241
C 0.151 1.503 -2.550
H  -1.780 0.060 -1.237
H  0.983 -0.542 0.021
H  -0.562 -0.316 0.918
H  -0.402 1.948 0.846
H  1.307 1.664 0.372
H  -1.050 2.655 -1.201
H  0.678 3.147 -1.262
H  1.158 1.735 -2.991
H  -0.610 1.910 -3.270
H  1.014 -0.481 -2.447
H  -0.524 -0.377 -3.384
H  -0.912 -1.530 -1.231
 18 
energy.map (119,2)
C 0.000 0.000 -2.467
C -0.768 -0.416 -1.234
C 0.000 0.000 0.000
C 0.258 1.492 0.043
C 0.000 2.252 -1.243
C 0.144 1.503 -2.554
H  -1.779 0.068 -1.233
H  0.978 -0.549 0.026
H  -0.567 -0.309 0.917
H  -0.373 1.953 0.849
H  1.326 1.654 0.350
H  -1.051 2.651 -1.196
H  0.675 3.149 -1.269
H  1.147 1.739 -3.003
H  -0.623 1.906 -3.268
H  1.017 -0.477 -2.443
H  -0.519 -0.384 -3.384
H  -0.919 -1.526 -1.230
 18 
energy.map (119,3)
C 0.000 0.000 -2.467
C -0.770 -0.414 -1.234
C 0.000 0.000 0.000
C 0.270 1.490 0.037
C 0.000 2.251 -1.246
C 0.138 1.503 -2.558
H  -1.778 0.075 -1.230
H  0.974 -0.556 0.031
H  -0.571 -0.301 0.917
H  -0.345 1.957 0.852
H  1.344 1.643 0.327
H  -1.052 2.646 -1.190
H  0.671 3.150 -1.277
H  1.136 1.743 -3.014
H  -0.637 1.903 -3.267
H  1.019 -0.472 -2.438
H  -0.514 -0.390 -3.385
H  -0.927 -1.523 -1.229
 18 
energy.map (120,0)
C 0.000 0.000 -2.467
C -0.771 -0.411 -1.234
C 0.000 0.000 0.000
C 0.282 1.488 0.032
C 0.000 2.250 -1.248
C 0.131 1.503 -2.562
H  -1.777 0.083 -1.226
H  0.970 -0.563 0.036
H  -0.576 -0.293 0.916
H  -0.316 1.962 0.855
H  1.362 1.632 0.305
H  -1.053 2.641 -1.185
H  0.668 3.151 -1.284
H  1.125 1.747 -3.026
H  -0.651 1.899 -3.265
H  1.021 -0.467 -2.433
H  -0.509 -0.396 -3.385
H  -0.934 -1.519 -1.228
 18 
energy.map (120,1)
C 0.000 0.000 -2.468
C -0.770 -0.412 -1.234
C 0.000 0.000 0.000
C 0.293 1.486 0.027
C 0.000 2.250 -1.249
C 0.126 1.504 -2.565
H  -1.777 0.082 -1.227
H  0.965 -0.572 0.041
H  -0.583 -0.286 0.914
H  -0.292 1.964 0.857
H  1.377 1.622 0.287
H  -1.054 2.636 -1.179
H  0.666 3.152 -1.287
H  1.117 1.750 -3.033
H  -0.661 1.897 -3.263
H  1.022 -0.464 -2.434
H  -0.509 -0.398 -3.385
H  -0.935 -1.520 -1.230
 18 
energy.map (120,2)
C 0.000 0.000 -2.469
C -0.770 -0.413 -1.234
C 0.000 0.000 0.000
C 0.304 1.485 0.023
C 0.000 2.249 -1.251
C 0.122 1.504 -2.567
H  -1.777 0.081 -1.229
H  0.960 -0.581 0.047
H  -0.589 -0.278 0.913
H  -0.268 1.967 0.859
H  1.393 1.612 0.269
H  -1.056 2.631 -1.174
H  0.664 3.154 -1.290
H  1.110 1.754 -3.040
H  -0.670 1.895 -3.261
H  1.023 -0.462 -2.436
H  -0.508 -0.400 -3.385
H  -0.935 -1.520 -1.232
 18 
energy.map (120,3)
C 0.000 0.000 -2.469
C -0.769 -0.413 -1.234
C 0.000 0.000 0.000
C 0.315 1.483 0.018
C 0.000 2.249 -1.252
C 0.117 1.505 -2.570
H  -1.777 0.080 -1.230
H  0.954 -0.590 0.052
H  -0.595 -0.271 0.911
H  -0.243 1.969 0.862
H  1.408 1.602 0.250
H  -1.057 2.626 -1.168
H  0.661 3.155 -1.293
H  1.102 1.757 -3.047
H  -0.680 1.892 -3.259
H  1.024 -0.459 -2.437
H  -0.508 -0.402 -3.385
H  -0.936 -1.521 -1.233
 18 
energy.map (121,0)
C 0.000 0.000 -2.470
C -0.768 -0.414 -1.234
C 0.000 0.000 0.000
C 0.326 1.481 0.013
C 0.000 2.248 -1.253
C 0.112 1.505 -2.572
H  -1.777 0.079 -1.231
H  0.949 -0.599 0.057
H  -0.602 -0.263 0.909
H  -0.219 1.971 0.864
H  1.423 1.592 0.232
H  -1.058 2.621 -1.162
H  0.659 3.156 -1.296
H  1.094 1.760 -3.054
H  -0.689 1.890 -3.257
H  1.025 -0.456 -2.438
H  -0.507 -0.404 -3.385
H  -0.936 -1.521 -1.235
 18 
energy.map (121,1)
C 0.000 0.000 -2.470
C -0.768 -0.413 -1.234
C 0.000 0.000 0.000
C 0.336 1.478 0.008
C 0.000 2.247 -1.254
C 0.110 1.505 -2.573
H  -1.777 0.081 -1.232
H  0.945 -0.605 0.063
H  -0.603 -0.255 0.910
H  -0.196 1.972 0.865
H  1.436 1.585 0.214
H  -1.059 2.615 -1.157
H  0.654 3.159 -1.300
H  1.090 1.761 -3.058
H  -0.694 1.889 -3.256
H  1.026 -0.455 -2.437
H  -0.506 -0.405 -3.385
H  -0.938 -1.520 -1.236
 18 
energy.map (121,2)
C 0.000 0.000 -2.470
C -0.769 -0.413 -1.233
C 0.000 0.000 0.000
C 0.346 1.476 0.004
C 0.000 2.246 -1.255
C 0.108 1.506 -2.575
H  -1.778 0.082 -1.234
H  0.941 -0.611 0.069
H  -0.605 -0.248 0.912
H  -0.173 1.974 0.867
H  1.449 1.577 0.196
H  -1.060 2.610 -1.152
H  0.648 3.161 -1.303
H  1.087 1.762 -3.062
H  -0.698 1.889 -3.256
H  1.026 -0.454 -2.436
H  -0.506 -0.406 -3.385
H  -0.941 -1.519 -1.236
 18 
energy.map (121,3)
C 0.000 0.000 -2.469
C -0.769 -0.412 -1.233
C 0.000 0.000 0.000
C 0.355 1.473 -0.001
C 0.000 2.245 -1.255
C 0.106 1.506 -2.576
H  -1.778 0.084 -1.235
H  0.936 -0.617 0.074
H  -0.606 -0.240 0.913
H  -0.149 1.975 0.869
H  1.461 1.570 0.177
H  -1.061 2.604 -1.146
H  0.643 3.164 -1.307
H  1.083 1.763 -3.065
H  -0.702 1.888 -3.255
H  1.027 -0.453 -2.434
H  -0.505 -0.406 -3.385
H  -0.943 -1.518 -1.237
 18 
energy.map (122,0)
C 0.000 0.000 -2.469
C -0.769 -0.411 -1.232
C 0.000 0.000 0.000
C 0.365 1.470 -0.005
C 0.000 2.244 -1.256
C 0.104 1.506 -2.577
H  -1.778 0.085 -1.236
H  0.932 -0.623 0.080
H  -0.607 -0.232 0.914
H  -0.126 1.976 0.870
H  1.474 1.562 0.159
H  -1.062 2.598 -1.141
H  0.637 3.166 -1.310
H  1.079 1.764 -3.069
H  -0.707 1.887 -3.254
H  1.027 -0.452 -2.433
H  -0.504 -0.407 -3.385
H  -0.945 -1.517 -1.237
 18 
energy.map (122,1)
C 0.000 0.000 -2.470
C -0.769 -0.410 -1.234
C 0.000 0.000 0.000
C 0.375 1.468 -0.010
C 0.000 2.243 -1.257
C 0.102 1.506 -2.579
H  -1.777 0.086 -1.236
H  0.928 -0.627 0.083
H  -0.613 -0.224 0.912
H  -0.102 1.978 0.871
H  1.486 1.552 0.141
H  -1.063 2.591 -1.137
H  0.634 3.168 -1.310
H  1.075 1.765 -3.073
H  -0.711 1.887 -3.254
H  1.028 -0.451 -2.434
H  -0.504 -0.409 -3.386
H  -0.946 -1.516 -1.238
 18 
energy.map (122,2)
C 0.000 0.000 -2.471
C -0.769 -0.410 -1.235
C 0.000 0.000 0.000
C 0.385 1.466 -0.015
C 0.000 2.242 -1.258
C 0.099 1.506 -2.581
H  -1.776 0.087 -1.236
H  0.924 -0.632 0.086
H  -0.618 -0.216 0.910
H  -0.077 1.979 0.871
H  1.499 1.542 0.123
H  -1.064 2.585 -1.133
H  0.630 3.170 -1.311
H  1.071 1.766 -3.078
H  -0.715 1.886 -3.253
H  1.029 -0.450 -2.434
H  -0.503 -0.411 -3.386
H  -0.948 -1.516 -1.239
 18 
energy.map (122,3)
C 0.000 0.000 -2.471
C -0.768 -0.409 -1.237
C 0.000 0.000 0.000
C 0.395 1.464 -0.019
C 0.000 2.241 -1.258
C 0.097 1.506 -2.582
H  -1.774 0.088 -1.236
H  0.919 -0.637 0.090
H  -0.623 -0.208 0.908
H  -0.053 1.981 0.872
H  1.511 1.532 0.104
H  -1.064 2.578 -1.128
H  0.627 3.171 -1.311
H  1.067 1.767 -3.082
H  -0.719 1.886 -3.253
H  1.029 -0.448 -2.435
H  -0.502 -0.413 -3.387
H  -0.950 -1.515 -1.240
 18 
energy.map (123,0)
C 0.000 0.000 -2.472
C -0.768 -0.408 -1.238
C 0.000 0.000 0.000
C 0.405 1.462 -0.024
C 0.000 2.240 -1.259
C 0.094 1.506 -2.584
H  -1.773 0.089 -1.236
H  0.915 -0.641 0.093
H  -0.629 -0.200 0.906
H  -0.028 1.982 0.873
H  1.523 1.522 0.086
H  -1.065 2.571 -1.124
H  0.623 3.173 -1.311
H  1.063 1.768 -3.086
H  -0.723 1.885 -3.252
H  1.030 -0.447 -2.435
H  -0.502 -0.415 -3.387
H  -0.951 -1.514 -1.241
 18 
energy.map (123,1)
C 0.000 0.000 -2.475
C -0.762 -0.415 -1.239
C 0.000 0.000 0.000
C 0.416 1.458 -0.031
C 0.000 2.239 -1.260
C 0.087 1.506 -2.586
H  -1.773 0.070 -1.239
H  0.911 -0.646 0.104
H  -0.636 -0.190 0.903
H  0.001 1.982 0.872
H  1.536 1.509 0.061
H  -1.065 2.567 -1.116
H  0.620 3.173 -1.315
H  1.051 1.773 -3.095
H  -0.737 1.882 -3.248
H  1.033 -0.441 -2.440
H  -0.502 -0.417 -3.389
H  -0.930 -1.523 -1.240
 18 
energy.map (123,2)
C 0.000 0.000 -2.478
C -0.757 -0.421 -1.240
C 0.000 0.000 0.000
C 0.428 1.454 -0.038
C 0.000 2.238 -1.261
C 0.080 1.507 -2.589
H  -1.774 0.051 -1.241
H  0.906 -0.651 0.115
H  -0.644 -0.180 0.901
H  0.031 1.981 0.871
H  1.548 1.496 0.037
H  -1.065 2.563 -1.109
H  0.617 3.173 -1.319
H  1.040 1.778 -3.104
H  -0.750 1.879 -3.245
H  1.035 -0.435 -2.444
H  -0.502 -0.418 -3.390
H  -0.909 -1.531 -1.239
 18 
energy.map (123,3)
C 0.000 0.000 -2.480
C -0.751 -0.428 -1.241
C 0.000 0.000 0.000
C 0.439 1.450 -0.045
C 0.000 2.236 -1.261
C 0.073 1.507 -2.591
H  -1.774 0.032 -1.244
H  0.902 -0.656 0.126
H  -0.651 -0.170 0.898
H  0.061 1.981 0.869
H  1.561 1.482 0.013
H  -1.065 2.559 -1.101
H  0.615 3.173 -1.323
H  1.028 1.782 -3.113
H  -0.764 1.875 -3.241
H  1.038 -0.429 -2.449
H  -0.502 -0.420 -3.392
H  -0.887 -1.540 -1.237
 18 
energy.map (124,0)
C 0.000 0.000 -2.483
C -0.745 -0.434 -1.242
C 0.000 0.000 0.000
C 0.450 1.446 -0.052
C 0.000 2.235 -1.262
C 0.066 1.507 -2.593
H  -1.774 0.013 -1.246
H  0.897 -0.661 0.137
H  -0.658 -0.160 0.895
H  0.090 1.980 0.868
H  1.573 1.469 -0.012
H  -1.065 2.555 -1.093
H  0.612 3.173 -1.327
H  1.016 1.787 -3.122
H  -0.778 1.872 -3.237
H  1.040 -0.423 -2.453
H  -0.502 -0.421 -3.393
H  -0.866 -1.548 -1.236
 18 
energy.map (124,1)
C 0.000 0.000 -2.486
C -0.740 -0.438 -1.243
C 0.000 0.000 0.000
C 0.460 1.442 -0.057
C 0.000 2.234 -1.262
C 0.063 1.508 -2.595
H  -1.772 0.002 -1.248
H  0.892 -0.665 0.147
H  -0.665 -0.150 0.891
H  0.115 1.978 0.867
H  1.583 1.458 -0.031
H  -1.065 2.548 -1.086
H  0.609 3.173 -1.327
H  1.010 1.790 -3.127
H  -0.785 1.871 -3.235
H  1.041 -0.420 -2.460
H  -0.503 -0.421 -3.395
H  -0.853 -1.553 -1.239
 18 
energy.map (124,2)
C 0.000 0.000 -2.488
C -0.736 -0.443 -1.245
C 0.000 0.000 0.000
C 0.470 1.439 -0.062
C 0.000 2.232 -1.263
C 0.060 1.509 -2.596
H  -1.770 -0.009 -1.249
H  0.887 -0.670 0.157
H  -0.671 -0.141 0.888
H  0.140 1.977 0.866
H  1.594 1.446 -0.051
H  -1.066 2.542 -1.080
H  0.607 3.174 -1.328
H  1.004 1.793 -3.133
H  -0.792 1.871 -3.232
H  1.043 -0.418 -2.467
H  -0.504 -0.421 -3.397
H  -0.839 -1.559 -1.241
 18 
energy.map (124,3)
C 0.000 0.000 -2.491
C -0.732 -0.447 -1.246
C 0.000 0.000 0.000
C 0.479 1.435 -0.067
C 0.000 2.231 -1.263
C 0.056 1.510 -2.598
H  -1.768 -0.019 -1.251
H  0.882 -0.674 0.167
H  -0.678 -0.131 0.884
H  0.165 1.975 0.865
H  1.604 1.435 -0.070
H  -1.066 2.535 -1.073
H  0.604 3.174 -1.328
H  0.997 1.796 -3.138
H  -0.798 1.870 -3.230
H  1.044 -0.415 -2.474
H  -0.506 -0.420 -3.398
H  -0.826 -1.564 -1.244
 18 
energy.map (125,0)
C 0.000 0.000 -2.493
C -0.727 -0.451 -1.247
C 0.000 0.000 0.000
C 0.489 1.431 -0.072
C 0.000 2.229 -1.263
C 0.053 1.511 -2.599
H  -1.766 -0.030 -1.252
H  0.877 -0.678 0.177
H  -0.684 -0.121 0.880
H  0.190 1.973 0.864
H  1.614 1.423 -0.089
H  -1.066 2.528 -1.066
H  0.601 3.174 -1.328
H  0.991 1.799 -3.143
H  -0.805 1.869 -3.227
H  1.045 -0.412 -2.481
H  -0.507 -0.420 -3.400
H  -0.812 -1.569 -1.246
 18 
energy.map (125,1)
C 0.000 0.000 -2.492
C -0.726 -0.453 -1.247
C 0.000 0.000 0.000
C 0.499 1.429 -0.078
C 0.000 2.227 -1.264
C 0.051 1.510 -2.599
H  -1.767 -0.034 -1.251
H  0.872 -0.682 0.183
H  -0.687 -0.112 0.879
H  0.214 1.973 0.861
H  1.623 1.413 -0.109
H  -1.066 2.520 -1.061
H  0.595 3.175 -1.331
H  0.988 1.799 -3.145
H  -0.809 1.868 -3.226
H  1.046 -0.410 -2.479
H  -0.506 -0.422 -3.399
H  -0.811 -1.571 -1.244
 18 
energy.map (125,2)
C 0.000 0.000 -2.491
C -0.726 -0.455 -1.247
C 0.000 0.000 0.000
C 0.510 1.426 -0.083
C 0.000 2.225 -1.265
C 0.049 1.509 -2.600
H  -1.767 -0.038 -1.251
H  0.867 -0.686 0.190
H  -0.691 -0.103 0.877
H  0.238 1.974 0.857
H  1.632 1.404 -0.129
H  -1.067 2.513 -1.056
H  0.590 3.177 -1.334
H  0.984 1.799 -3.147
H  -0.812 1.867 -3.225
H  1.047 -0.408 -2.476
H  -0.504 -0.424 -3.399
H  -0.810 -1.573 -1.243
 18 
energy.map (125,3)
C 0.000 0.000 -2.490
C -0.726 -0.456 -1.246
C 0.000 0.000 0.000
C 0.520 1.424 -0.089
C 0.000 2.222 -1.266
C 0.046 1.507 -2.600
H  -1.768 -0.041 -1.250
H  0.863 -0.689 0.196
H  -0.694 -0.093 0.876
H  0.262 1.974 0.853
H  1.640 1.394 -0.149
H  -1.067 2.505 -1.050
H  0.585 3.178 -1.337
H  0.980 1.799 -3.149
H  -0.816 1.865 -3.224
H  1.047 -0.406 -2.474
H  -0.503 -0.425 -3.398
H  -0.808 -1.574 -1.241
 18 
energy.map (126,0)
C 0.000 0.000 -2.489
C -0.725 -0.458 -1.246
C 0.000 0.000 0.000
C 0.530 1.421 -0.094
C 0.000 2.220 -1.267
C 0.044 1.506 -2.600
H  -1.768 -0.045 -1.249
H  0.858 -0.693 0.202
H  -0.697 -0.084 0.875
H  0.286 1.974 0.850
H  1.649 1.384 -0.169
H  -1.067 2.497 -1.045
H  0.579 3.179 -1.340
H  0.977 1.799 -3.151
H  -0.819 1.864 -3.223
H  1.048 -0.404 -2.471
H  -0.502 -0.427 -3.397
H  -0.807 -1.576 -1.239
 18 
energy.map (126,1)
C 0.000 0.000 -2.490
C -0.728 -0.454 -1.246
C 0.000 0.000 0.000
C 0.540 1.417 -0.096
C 0.000 2.218 -1.263
C 0.043 1.507 -2.598
H  -1.769 -0.036 -1.250
H  0.853 -0.699 0.202
H  -0.698 -0.078 0.875
H  0.310 1.969 0.851
H  1.657 1.372 -0.185
H  -1.067 2.490 -1.035
H  0.574 3.180 -1.336
H  0.974 1.803 -3.150
H  -0.823 1.864 -3.218
H  1.048 -0.404 -2.469
H  -0.500 -0.427 -3.398
H  -0.816 -1.572 -1.240
 18 
energy.map (126,2)
C 0.000 0.000 -2.490
C -0.731 -0.451 -1.246
C 0.000 0.000 0.000
C 0.549 1.412 -0.099
C 0.000 2.216 -1.259
C 0.041 1.509 -2.596
H  -1.770 -0.026 -1.250
H  0.849 -0.704 0.202
H  -0.698 -0.072 0.875
H  0.334 1.964 0.853
H  1.666 1.360 -0.201
H  -1.067 2.482 -1.025
H  0.569 3.181 -1.332
H  0.972 1.806 -3.148
H  -0.827 1.865 -3.214
H  1.047 -0.404 -2.466
H  -0.499 -0.426 -3.399
H  -0.825 -1.568 -1.240
 18 
energy.map (126,3)
C 0.000 0.000 -2.491
C -0.734 -0.447 -1.246
C 0.000 0.000 0.000
C 0.559 1.408 -0.101
C 0.000 2.214 -1.254
C 0.040 1.510 -2.593
H  -1.771 -0.017 -1.251
H  0.845 -0.710 0.201
H  -0.699 -0.066 0.874
H  0.358 1.959 0.855
H  1.674 1.348 -0.216
H  -1.067 2.475 -1.015
H  0.564 3.181 -1.328
H  0.969 1.810 -3.147
H  -0.830 1.865 -3.209
H  1.047 -0.403 -2.464
H  -0.498 -0.426 -3.400
H  -0.834 -1.563 -1.241
 18 
energy.map (127,0)
C 0.000 0.000 -2.491
C -0.737 -0.443 -1.246
C 0.000 0.000 0.000
C 0.568 1.403 -0.103
C 0.000 2.212 -1.250
C 0.038 1.511 -2.591
H  -1.772 -0.007 -1.251
H  0.840 -0.716 0.201
H  -0.700 -0.060 0.874
H  0.382 1.954 0.856
H  1.682 1.336 -0.232
H  -1.067 2.467 -1.005
H  0.559 3.182 -1.324
H  0.966 1.813 -3.145
H  -0.834 1.865 -3.204
H  1.046 -0.403 -2.461
H  -0.496 -0.425 -3.401
H  -0.843 -1.559 -1.241
 18 
energy.map (127,1)
C 0.000 0.000 -2.492
C -0.738 -0.441 -1.247
C 0.000 0.000 0.000
C 0.577 1.399 -0.110
C 0.000 2.210 -1.250
C 0.036 1.512 -2.592
H  -1.771 -0.003 -1.251
H  0.834 -0.721 0.207
H  -0.702 -0.051 0.873
H  0.406 1.951 0.851
H  1.688 1.325 -0.252
H  -1.067 2.460 -1.000
H  0.555 3.183 -1.323
H  0.963 1.815 -3.147
H  -0.837 1.865 -3.203
H  1.046 -0.402 -2.462
H  -0.496 -0.426 -3.402
H  -0.846 -1.557 -1.241
 18 
energy.map (127,2)
C 0.000 0.000 -2.494
C -0.738 -0.439 -1.248
C 0.000 0.000 0.000
C 0.585 1.395 -0.116
C 0.000 2.209 -1.249
C 0.034 1.512 -2.593
H  -1.771 0.002 -1.251
H  0.827 -0.726 0.212
H  -0.705 -0.043 0.871
H  0.430 1.948 0.847
H  1.694 1.313 -0.272
H  -1.067 2.454 -0.995
H  0.551 3.183 -1.322
H  0.960 1.817 -3.149
H  -0.841 1.866 -3.202
H  1.047 -0.402 -2.463
H  -0.497 -0.427 -3.403
H  -0.849 -1.555 -1.242
 18 
energy.map (127,3)
C 0.000 0.000 -2.495
C -0.738 -0.437 -1.248
C 0.000 0.000 0.000
C 0.593 1.390 -0.123
C 0.000 2.207 -1.249
C 0.031 1.513 -2.594
H  -1.770 0.007 -1.250
H  0.821 -0.731 0.218
H  -0.708 -0.034 0.870
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H  -0.851 -1.552 -1.242
 18 
energy.map (128,0)
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H  -0.854 -1.550 -1.242
 18 
energy.map (128,1)
C 0.000 0.000 -2.497
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C 0.000 0.000 0.000
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C 0.000 2.203 -1.248
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H  -1.768 0.004 -1.251
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H  -0.714 -0.015 0.866
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H  -0.496 -0.429 -3.406
H  -0.849 -1.553 -1.244
 18 
energy.map (128,2)
C 0.000 0.000 -2.498
C -0.734 -0.441 -1.250
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C 0.620 1.377 -0.144
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H  0.805 -0.741 0.241
H  -0.718 -0.004 0.863
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H  -0.495 -0.431 -3.406
H  -0.845 -1.557 -1.245
 18 
energy.map (128,3)
C 0.000 0.000 -2.498
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C 0.000 2.199 -1.248
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H  -1.767 -0.009 -1.254
H  0.799 -0.744 0.250
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H  -0.840 -1.560 -1.247
 18 
energy.map (129,0)
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H  -0.725 0.017 0.856
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H  -0.835 -1.563 -1.248
 18 
energy.map (129,1)
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H  0.789 -0.749 0.268
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H  -0.493 -0.435 -3.407
H  -0.826 -1.568 -1.250
 18 
energy.map (129,2)
C 0.000 0.000 -2.501
C -0.724 -0.456 -1.252
C 0.000 0.000 0.000
C 0.656 1.358 -0.173
C 0.000 2.193 -1.248
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H  0.785 -0.752 0.276
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H  -0.493 -0.436 -3.408
H  -0.817 -1.573 -1.251
 18 
energy.map (129,3)
C 0.000 0.000 -2.501
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C 0.000 0.000 0.000
C 0.664 1.352 -0.181
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H  -1.765 -0.048 -1.261
H  0.780 -0.755 0.285
H  -0.736 0.049 0.845
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H  -0.493 -0.438 -3.408
H  -0.808 -1.578 -1.253
 18 
energy.map (130,0)
C 0.000 0.000 -2.502
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H  0.775 -0.758 0.293
H  -0.739 0.059 0.842
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 18 
energy.map (130,1)
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H  -1.763 -0.070 -1.262
H  0.768 -0.760 0.303
H  -0.742 0.070 0.838
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H  -0.494 -0.439 -3.408
H  -0.787 -1.588 -1.254
 18 
energy.map (130,2)
C 0.000 0.000 -2.503
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H  0.762 -0.762 0.313
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H  -0.496 -0.440 -3.408
H  -0.775 -1.592 -1.255
 18 
energy.map (130,3)
C 0.000 0.000 -2.504
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H  -0.763 -1.597 -1.255
 18 
energy.map (131,0)
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 18 
energy.map (131,1)
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H  -0.751 -1.601 -1.255
 18 
energy.map (131,2)
C 0.000 0.000 -2.504
C -0.703 -0.481 -1.254
C 0.000 0.000 0.000
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H  -0.751 -1.601 -1.255
 18 
energy.map (131,3)
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H  -1.759 -0.102 -1.260
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H  -0.498 -0.440 -3.408
H  -0.751 -1.601 -1.255
 18 
energy.map (132,0)
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C 0.000 0.000 0.000
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 18 
energy.map (132,1)
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H  -0.751 -1.601 -1.255
 18 
energy.map (132,2)
C 0.000 0.000 -2.505
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H  -0.750 -1.601 -1.256
 18 
energy.map (132,3)
C 0.000 0.000 -2.505
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 18 
energy.map (133,0)
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 18 
energy.map (133,1)
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 18 
energy.map (133,2)
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 18 
energy.map (133,3)
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 18 
energy.map (134,0)
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 18 
energy.map (134,1)
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 18 
energy.map (134,2)
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 18 
energy.map (134,3)
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 18 
energy.map (135,0)
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 18 
energy.map (135,1)
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H  -0.465 -0.468 -3.410
H  -0.697 -1.625 -1.252
 18 
energy.map (135,2)
C 0.000 0.000 -2.506
C -0.676 -0.520 -1.256
C 0.000 0.000 0.000
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C 0.000 2.181 -1.243
C -0.121 1.509 -2.600
H  -1.750 -0.199 -1.262
H  0.728 -0.763 0.380
H  -0.773 0.150 0.797
H  0.852 1.855 0.722
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H  -1.107 1.782 -3.057
H  1.082 -0.294 -2.495
H  -0.464 -0.471 -3.412
H  -0.664 -1.640 -1.253
 18 
energy.map (135,3)
C 0.000 0.000 -2.508
C -0.664 -0.535 -1.257
C 0.000 0.000 0.000
C 0.745 1.294 -0.260
C 0.000 2.177 -1.239
C -0.140 1.508 -2.597
H  -1.745 -0.237 -1.264
H  0.718 -0.760 0.403
H  -0.781 0.168 0.785
H  0.892 1.842 0.707
H  1.764 1.068 -0.670
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H  0.640 1.905 -3.297
H  -1.138 1.771 -3.033
H  1.086 -0.280 -2.505
H  -0.463 -0.473 -3.413
H  -0.630 -1.654 -1.254
 18 
energy.map (136,0)
C 0.000 0.000 -2.509
C -0.651 -0.549 -1.257
C 0.000 0.000 0.000
C 0.759 1.284 -0.273
C 0.000 2.174 -1.235
C -0.159 1.507 -2.594
H  -1.740 -0.275 -1.266
H  0.707 -0.758 0.427
H  -0.789 0.186 0.774
H  0.931 1.829 0.692
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H  0.603 1.915 -3.308
H  -1.169 1.761 -3.009
H  1.089 -0.267 -2.514
H  -0.462 -0.475 -3.414
H  -0.596 -1.668 -1.255
 18 
energy.map (136,1)
C 0.000 0.000 -2.512
C -0.637 -0.562 -1.259
C 0.000 0.000 0.000
C 0.765 1.279 -0.279
C 0.000 2.172 -1.234
C -0.173 1.506 -2.591
H  -1.731 -0.313 -1.267
H  0.699 -0.755 0.445
H  -0.798 0.198 0.761
H  0.949 1.823 0.684
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H  0.574 1.921 -3.316
H  -1.191 1.750 -2.990
H  1.091 -0.257 -2.526
H  -0.464 -0.476 -3.416
H  -0.556 -1.679 -1.260
 18 
energy.map (136,2)
C 0.000 0.000 -2.516
C -0.623 -0.575 -1.260
C 0.000 0.000 0.000
C 0.772 1.273 -0.286
C 0.000 2.169 -1.233
C -0.187 1.504 -2.587
H  -1.722 -0.351 -1.269
H  0.691 -0.752 0.463
H  -0.807 0.211 0.748
H  0.966 1.817 0.676
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H  -1.000 2.406 -0.783
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H  -1.214 1.738 -2.972
H  1.093 -0.247 -2.538
H  -0.466 -0.477 -3.417
H  -0.516 -1.689 -1.264
 18 
energy.map (136,3)
C 0.000 0.000 -2.519
C -0.609 -0.587 -1.262
C 0.000 0.000 0.000
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C 0.000 2.167 -1.231
C -0.201 1.503 -2.584
H  -1.712 -0.388 -1.270
H  0.682 -0.748 0.481
H  -0.815 0.223 0.736
H  0.983 1.811 0.668
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H  -0.995 2.404 -0.772
H  0.542 3.139 -1.363
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H  -1.236 1.727 -2.953
H  1.095 -0.237 -2.549
H  -0.467 -0.478 -3.419
H  -0.476 -1.700 -1.269
 18 
energy.map (137,0)
C 0.000 0.000 -2.522
C -0.595 -0.600 -1.263
C 0.000 0.000 0.000
C 0.784 1.262 -0.298
C 0.000 2.164 -1.230
C -0.215 1.501 -2.580
H  -1.703 -0.426 -1.271
H  0.674 -0.745 0.499
H  -0.824 0.235 0.723
H  1.001 1.805 0.660
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H  0.486 1.938 -3.338
H  -1.258 1.715 -2.934
H  1.097 -0.227 -2.561
H  -0.469 -0.479 -3.420
H  -0.436 -1.710 -1.273
 18 
energy.map (137,1)
C 0.000 0.000 -2.521
C -0.589 -0.605 -1.263
C 0.000 0.000 0.000
C 0.779 1.267 -0.293
C 0.000 2.167 -1.230
C -0.222 1.499 -2.576
H  -1.699 -0.444 -1.270
H  0.676 -0.741 0.502
H  -0.827 0.229 0.722
H  0.986 1.810 0.667
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H  -1.268 1.709 -2.923
H  1.098 -0.222 -2.561
H  -0.468 -0.479 -3.419
H  -0.418 -1.714 -1.270
 18 
energy.map (137,2)
C 0.000 0.000 -2.519
C -0.584 -0.611 -1.262
C 0.000 0.000 0.000
C 0.775 1.272 -0.287
C 0.000 2.170 -1.230
C -0.228 1.498 -2.572
H  -1.696 -0.462 -1.270
H  0.679 -0.736 0.504
H  -0.829 0.223 0.722
H  0.972 1.814 0.675
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H  -0.987 2.427 -0.763
H  0.556 3.132 -1.377
H  0.458 1.941 -3.341
H  -1.278 1.702 -2.912
H  1.100 -0.217 -2.562
H  -0.467 -0.480 -3.419
H  -0.400 -1.717 -1.268
 18 
energy.map (137,3)
C 0.000 0.000 -2.518
C -0.579 -0.617 -1.262
C 0.000 0.000 0.000
C 0.770 1.276 -0.282
C 0.000 2.173 -1.229
C -0.235 1.496 -2.567
H  -1.692 -0.480 -1.269
H  0.681 -0.732 0.507
H  -0.831 0.216 0.721
H  0.957 1.819 0.682
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H  0.443 1.942 -3.342
H  -1.287 1.696 -2.901
H  1.101 -0.211 -2.562
H  -0.465 -0.480 -3.418
H  -0.382 -1.721 -1.265
 18 
energy.map (138,0)
C 0.000 0.000 -2.516
C -0.573 -0.622 -1.261
C 0.000 0.000 0.000
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C 0.000 2.176 -1.229
C -0.241 1.494 -2.563
H  -1.688 -0.498 -1.268
H  0.683 -0.728 0.510
H  -0.834 0.210 0.720
H  0.943 1.823 0.689
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H  -0.983 2.451 -0.763
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H  -1.297 1.689 -2.890
H  1.102 -0.206 -2.562
H  -0.464 -0.480 -3.417
H  -0.364 -1.724 -1.262
 18 
energy.map (138,1)
C 0.000 0.000 -2.519
C -0.560 -0.630 -1.262
C 0.000 0.000 0.000
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C 0.000 2.177 -1.230
C -0.249 1.493 -2.562
H  -1.677 -0.526 -1.270
H  0.680 -0.723 0.520
H  -0.841 0.214 0.712
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H  0.410 1.947 -3.348
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H  -0.467 -0.481 -3.418
H  -0.334 -1.728 -1.265
 18 
energy.map (138,2)
C 0.000 0.000 -2.522
C -0.548 -0.638 -1.264
C 0.000 0.000 0.000
C 0.761 1.283 -0.276
C 0.000 2.178 -1.231
C -0.258 1.492 -2.561
H  -1.666 -0.555 -1.272
H  0.677 -0.718 0.531
H  -0.847 0.217 0.703
H  0.938 1.825 0.690
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H  -0.977 2.467 -0.762
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H  -1.321 1.675 -2.867
H  1.104 -0.193 -2.585
H  -0.471 -0.482 -3.419
H  -0.304 -1.732 -1.269
 18 
energy.map (138,3)
C 0.000 0.000 -2.524
C -0.535 -0.646 -1.265
C 0.000 0.000 0.000
C 0.758 1.283 -0.275
C 0.000 2.179 -1.231
C -0.266 1.490 -2.559
H  -1.655 -0.583 -1.273
H  0.674 -0.714 0.541
H  -0.853 0.221 0.695
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H  -1.333 1.667 -2.856
H  1.104 -0.186 -2.596
H  -0.474 -0.482 -3.419
H  -0.273 -1.736 -1.272
 18 
energy.map (139,0)
C 0.000 0.000 -2.527
C -0.522 -0.654 -1.266
C 0.000 0.000 0.000
C 0.756 1.284 -0.275
C 0.000 2.180 -1.232
C -0.274 1.489 -2.558
H  -1.644 -0.611 -1.275
H  0.671 -0.709 0.551
H  -0.860 0.224 0.686
H  0.932 1.827 0.690
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H  -1.345 1.660 -2.844
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H  -0.477 -0.483 -3.420
H  -0.243 -1.740 -1.275
 18 
energy.map (139,1)
C 0.000 0.000 -2.528
C -0.508 -0.665 -1.266
C 0.000 0.000 0.000
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C 0.000 2.178 -1.231
C -0.287 1.487 -2.553
H  -1.630 -0.646 -1.274
H  0.664 -0.706 0.564
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H  0.947 1.821 0.683
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H  -0.477 -0.486 -3.419
H  -0.203 -1.743 -1.275
 18 
energy.map (139,2)
C 0.000 0.000 -2.528
C -0.495 -0.675 -1.267
C 0.000 0.000 0.000
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C 0.000 2.176 -1.230
C -0.301 1.485 -2.548
H  -1.616 -0.681 -1.273
H  0.656 -0.702 0.577
H  -0.875 0.240 0.661
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H  0.298 1.963 -3.368
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H  -0.477 -0.489 -3.418
H  -0.163 -1.745 -1.276
 18 
energy.map (139,3)
C 0.000 0.000 -2.529
C -0.481 -0.686 -1.267
C 0.000 0.000 0.000
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C 0.000 2.174 -1.228
C -0.314 1.483 -2.543
H  -1.602 -0.715 -1.272
H  0.649 -0.698 0.590
H  -0.883 0.247 0.648
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H  -0.477 -0.491 -3.417
H  -0.123 -1.748 -1.276
 18 
energy.map (140,0)
C 0.000 0.000 -2.529
C -0.467 -0.696 -1.267
C 0.000 0.000 0.000
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C 0.000 2.172 -1.227
C -0.327 1.481 -2.538
H  -1.588 -0.750 -1.271
H  0.641 -0.695 0.603
H  -0.890 0.255 0.635
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H  -0.477 -0.494 -3.416
H  -0.083 -1.750 -1.276
 18 
energy.map (140,1)
C 0.000 0.000 -2.529
C -0.465 -0.698 -1.267
C 0.000 0.000 0.000
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C 0.000 2.172 -1.227
C -0.336 1.478 -2.534
H  -1.586 -0.755 -1.271
H  0.641 -0.694 0.604
H  -0.892 0.255 0.633
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H  -0.475 -0.495 -3.416
H  -0.081 -1.752 -1.276
 18 
energy.map (140,2)
C 0.000 0.000 -2.528
C -0.463 -0.700 -1.267
C 0.000 0.000 0.000
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C 0.000 2.171 -1.226
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H  0.640 -0.694 0.605
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H  -1.442 1.598 -2.731
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H  -0.473 -0.496 -3.416
H  -0.079 -1.754 -1.277
 18 
energy.map (140,3)
C 0.000 0.000 -2.528
C -0.461 -0.702 -1.266
C 0.000 0.000 0.000
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C 0.000 2.171 -1.226
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H  -0.076 -1.755 -1.277
 18 
energy.map (141,0)
C 0.000 0.000 -2.527
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C 0.000 0.000 0.000
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H  -0.074 -1.757 -1.277
 18 
energy.map (141,1)
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C -0.371 1.467 -2.521
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H  0.642 -0.689 0.607
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H  -0.070 -1.757 -1.276
 18 
energy.map (141,2)
C 0.000 0.000 -2.526
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C -0.378 1.466 -2.521
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H  -0.462 -0.502 -3.416
H  -0.067 -1.756 -1.275
 18 
energy.map (141,3)
C 0.000 0.000 -2.525
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C 0.000 0.000 0.000
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C 0.000 2.176 -1.236
C -0.385 1.464 -2.521
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H  -0.459 -0.504 -3.416
H  -0.063 -1.756 -1.274
 18 
energy.map (142,0)
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H  -0.455 -0.506 -3.416
H  -0.059 -1.755 -1.273
 18 
energy.map (142,1)
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C 0.000 2.179 -1.243
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H  -0.452 -0.508 -3.416
H  -0.044 -1.756 -1.273
 18 
energy.map (142,2)
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C 0.000 2.180 -1.246
C -0.408 1.458 -2.521
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H  0.653 -0.676 0.612
H  -0.901 0.238 0.625
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H  0.053 1.966 -3.408
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H  -0.449 -0.509 -3.415
H  -0.028 -1.757 -1.274
 18 
energy.map (142,3)
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 18 
energy.map (143,0)
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 18 
energy.map (143,1)
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 18 
energy.map (143,2)
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H  -1.528 -0.865 -1.271
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 18 
energy.map (143,3)
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 18 
energy.map (144,0)
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 18 
energy.map (144,1)
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C 0.000 2.174 -1.261
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 18 
energy.map (144,2)
C 0.000 0.000 -2.530
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C 0.000 2.174 -1.258
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 18 
energy.map (144,3)
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 18 
energy.map (145,0)
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 18 
energy.map (145,1)
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 18 
energy.map (145,2)
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H  0.235 -1.741 -1.280
 18 
energy.map (145,3)
C 0.000 0.000 -2.531
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 18 
energy.map (146,0)
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 18 
energy.map (146,1)
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 18 
energy.map (146,2)
C 0.000 0.000 -2.528
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 18 
energy.map (146,3)
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 18 
energy.map (147,0)
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 18 
energy.map (147,1)
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 18 
energy.map (147,2)
C 0.000 0.000 -2.528
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H  0.531 -1.669 -1.277
 18 
energy.map (147,3)
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 18 
energy.map (148,0)
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 18 
energy.map (148,1)
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 18 
energy.map (148,2)
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 18 
energy.map (148,3)
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 18 
energy.map (149,0)
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 18 
energy.map (149,1)
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 18 
energy.map (149,2)
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 18 
energy.map (149,3)
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 18 
energy.map (150,0)
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 18 
energy.map (150,1)
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H  -0.496 -0.547 -3.369
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 18 
energy.map (150,2)
C 0.000 0.000 -2.525
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C 0.708 1.318 -0.226
C 0.000 2.175 -1.256
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H  -1.045 -1.411 -1.256
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H  -0.498 -0.549 -3.367
H  0.748 -1.586 -1.273
 18 
energy.map (150,3)
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C 0.000 2.176 -1.257
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H  -0.499 -0.550 -3.364
H  0.765 -1.579 -1.273
 18 
energy.map (151,0)
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C 0.000 2.177 -1.259
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H  0.781 -1.572 -1.272
 18 
energy.map (151,1)
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C 0.000 2.177 -1.260
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H  0.527 -0.572 0.808
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H  -1.735 1.210 -2.114
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H  -0.504 -0.554 -3.359
H  0.807 -1.559 -1.273
 18 
energy.map (151,2)
C 0.000 0.000 -2.525
C -0.037 -0.837 -1.263
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C 0.000 2.177 -1.262
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H  -0.966 -1.465 -1.254
H  0.525 -0.568 0.812
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H  -1.737 1.202 -2.100
H  1.069 0.154 -2.832
H  -0.508 -0.556 -3.355
H  0.832 -1.546 -1.274
 18 
energy.map (151,3)
C 0.000 0.000 -2.525
C -0.022 -0.838 -1.263
C 0.000 0.000 0.000
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C 0.000 2.177 -1.263
C -0.658 1.350 -2.346
H  -0.941 -1.481 -1.254
H  0.524 -0.564 0.815
H  -1.052 0.185 0.343
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H  1.066 0.160 -2.841
H  -0.512 -0.559 -3.352
H  0.858 -1.533 -1.275
 18 
energy.map (152,0)
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C 0.000 0.000 0.000
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C 0.000 2.177 -1.264
C -0.663 1.346 -2.341
H  -0.916 -1.497 -1.254
H  0.522 -0.560 0.819
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H  -0.516 -0.561 -3.348
H  0.883 -1.520 -1.276
 18 
energy.map (152,1)
C 0.000 0.000 -2.526
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C 0.000 2.176 -1.261
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H  -0.884 -1.516 -1.254
H  0.512 -0.560 0.825
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H  -0.521 -0.563 -3.343
H  0.915 -1.499 -1.274
 18 
energy.map (152,2)
C 0.000 0.000 -2.526
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C 0.000 0.000 0.000
C 0.684 1.336 -0.197
C 0.000 2.176 -1.258
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H  -0.852 -1.535 -1.253
H  0.502 -0.560 0.831
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H  -1.746 1.165 -2.038
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H  -0.526 -0.566 -3.338
H  0.947 -1.478 -1.273
 18 
energy.map (152,3)
C 0.000 0.000 -2.526
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C -0.680 1.335 -2.318
H  -0.820 -1.554 -1.253
H  0.493 -0.559 0.837
H  -1.068 0.175 0.297
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H  -0.698 1.899 -3.287
H  -1.748 1.155 -2.020
H  1.050 0.182 -2.881
H  -0.531 -0.568 -3.333
H  0.978 -1.456 -1.271
 18 
energy.map (153,0)
C 0.000 0.000 -2.526
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C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
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H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (153,1)
C 0.000 0.000 -2.526
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C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
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H  -1.750 1.144 -2.003
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H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (153,2)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
C 0.681 1.337 -0.187
C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
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H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
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H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (153,3)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
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H  -0.761 2.844 -0.772
H  0.763 2.839 -1.735
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H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (154,0)
C 0.000 0.000 -2.526
C 0.060 -0.838 -1.262
C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.686 1.331 -2.310
H  -0.788 -1.573 -1.252
H  0.483 -0.559 0.843
H  -1.072 0.173 0.284
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H  0.763 2.839 -1.735
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H  -1.750 1.144 -2.003
H  1.045 0.188 -2.891
H  -0.536 -0.570 -3.328
H  1.010 -1.435 -1.269
 18 
energy.map (154,1)
C 0.000 0.000 -2.523
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C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.690 1.329 -2.305
H  -0.776 -1.581 -1.250
H  0.480 -0.556 0.847
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H  -1.752 1.139 -1.991
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H  -0.536 -0.571 -3.325
H  1.021 -1.431 -1.267
 18 
energy.map (154,2)
C 0.000 0.000 -2.520
C 0.074 -0.843 -1.259
C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.695 1.326 -2.299
H  -0.765 -1.588 -1.249
H  0.477 -0.553 0.850
H  -1.075 0.169 0.276
H  0.678 1.898 0.788
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H  -0.742 1.890 -3.267
H  -1.754 1.134 -1.979
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H  -0.536 -0.572 -3.321
H  1.032 -1.426 -1.265
 18 
energy.map (154,3)
C 0.000 0.000 -2.516
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C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.699 1.324 -2.294
H  -0.753 -1.596 -1.247
H  0.474 -0.550 0.853
H  -1.077 0.167 0.271
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H  -1.755 1.128 -1.966
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H  -0.535 -0.573 -3.318
H  1.042 -1.422 -1.263
 18 
energy.map (155,0)
C 0.000 0.000 -2.513
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C 0.000 0.000 0.000
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C 0.000 2.174 -1.251
C -0.703 1.321 -2.288
H  -0.741 -1.603 -1.245
H  0.471 -0.547 0.857
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H  -1.757 1.123 -1.954
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H  -0.535 -0.574 -3.314
H  1.053 -1.417 -1.261
 18 
energy.map (155,1)
C 0.000 0.000 -2.513
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H  0.468 -0.551 0.857
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H  -1.750 1.141 -1.980
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H  -0.542 -0.571 -3.312
H  1.048 -1.420 -1.262
 18 
energy.map (155,2)
C 0.000 0.000 -2.514
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C 0.000 0.000 0.000
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C 0.000 2.176 -1.236
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H  -0.752 -1.597 -1.246
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H  -1.744 1.159 -2.007
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H  -0.550 -0.567 -3.310
H  1.043 -1.422 -1.264
 18 
energy.map (155,3)
C 0.000 0.000 -2.514
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C 0.000 2.176 -1.228
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H  -0.557 -0.564 -3.308
H  1.038 -1.425 -1.265
 18 
energy.map (156,0)
C 0.000 0.000 -2.514
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C 0.000 0.000 0.000
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C 0.000 2.177 -1.220
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H  -0.564 -0.560 -3.306
H  1.033 -1.427 -1.266
 18 
energy.map (156,1)
C 0.000 0.000 -2.519
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C -0.624 1.363 -2.337
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H  -0.562 -0.554 -3.317
H  0.978 -1.457 -1.269
 18 
energy.map (156,2)
C 0.000 0.000 -2.524
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H  -0.561 -0.548 -3.327
H  0.923 -1.488 -1.273
 18 
energy.map (156,3)
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H  -0.559 -0.542 -3.338
H  0.867 -1.518 -1.276
 18 
energy.map (157,0)
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H  -0.557 -0.536 -3.348
H  0.812 -1.548 -1.279
 18 
energy.map (157,1)
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H  -1.660 1.355 -2.333
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H  -0.566 -0.534 -3.346
H  0.815 -1.545 -1.280
 18 
energy.map (157,2)
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C 0.000 2.175 -1.220
C -0.529 1.412 -2.420
H  -0.980 -1.448 -1.261
H  0.504 -0.584 0.813
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H  -0.574 -0.532 -3.344
H  0.819 -1.542 -1.280
 18 
energy.map (157,3)
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H  -0.976 -1.448 -1.262
H  0.503 -0.585 0.813
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H  -0.244 1.974 -3.362
H  -1.637 1.388 -2.382
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H  -0.583 -0.530 -3.341
H  0.822 -1.538 -1.281
 18 
energy.map (158,0)
C 0.000 0.000 -2.544
C -0.042 -0.821 -1.270
C 0.000 0.000 0.000
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C 0.000 2.176 -1.216
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H  -0.973 -1.449 -1.262
H  0.502 -0.586 0.813
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H  -0.871 2.668 -0.706
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H  -0.211 1.978 -3.364
H  -1.626 1.404 -2.407
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H  -0.591 -0.528 -3.339
H  0.825 -1.535 -1.281
 18 
energy.map (158,1)
C 0.000 0.000 -2.543
C -0.009 -0.821 -1.270
C 0.000 0.000 0.000
C 0.727 1.310 -0.207
C 0.000 2.179 -1.209
C -0.502 1.422 -2.425
H  -0.911 -1.485 -1.261
H  0.490 -0.582 0.823
H  -1.053 0.211 0.323
H  0.815 1.857 0.767
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H  -0.871 2.675 -0.704
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H  -0.214 1.979 -3.356
H  -1.625 1.401 -2.395
H  1.055 0.036 -2.928
H  -0.609 -0.530 -3.323
H  0.885 -1.498 -1.278
 18 
energy.map (158,2)
C 0.000 0.000 -2.541
C 0.025 -0.822 -1.270
C 0.000 0.000 0.000
C 0.720 1.315 -0.195
C 0.000 2.183 -1.203
C -0.500 1.422 -2.416
H  -0.849 -1.521 -1.261
H  0.479 -0.577 0.833
H  -1.061 0.202 0.301
H  0.793 1.859 0.783
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H  -0.871 2.682 -0.702
H  0.694 3.001 -1.533
H  -0.217 1.981 -3.348
H  -1.624 1.398 -2.382
H  1.045 0.037 -2.953
H  -0.626 -0.531 -3.306
H  0.945 -1.460 -1.276
 18 
energy.map (158,3)
C 0.000 0.000 -2.540
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C 0.000 0.000 0.000
C 0.713 1.321 -0.182
C 0.000 2.186 -1.196
C -0.499 1.421 -2.408
H  -0.786 -1.557 -1.260
H  0.467 -0.573 0.842
H  -1.068 0.192 0.279
H  0.770 1.862 0.798
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H  -0.872 2.689 -0.699
H  0.697 3.001 -1.526
H  -0.220 1.982 -3.339
H  -1.622 1.395 -2.370
H  1.034 0.037 -2.978
H  -0.644 -0.533 -3.290
H  1.004 -1.423 -1.273
 18 
energy.map (159,0)
C 0.000 0.000 -2.538
C 0.092 -0.823 -1.269
C 0.000 0.000 0.000
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C 0.000 2.189 -1.189
C -0.498 1.420 -2.399
H  -0.724 -1.593 -1.259
H  0.455 -0.569 0.852
H  -1.076 0.183 0.257
H  0.748 1.864 0.814
H  1.763 1.146 -0.498
H  -0.872 2.696 -0.697
H  0.700 3.001 -1.519
H  -0.223 1.983 -3.331
H  -1.621 1.392 -2.357
H  1.024 0.037 -3.003
H  -0.661 -0.534 -3.273
H  1.064 -1.385 -1.270
 18 
energy.map (159,1)
C 0.000 0.000 -2.540
C 0.086 -0.823 -1.269
C 0.000 0.000 0.000
C 0.710 1.324 -0.171
C 0.000 2.189 -1.186
C -0.482 1.426 -2.405
H  -0.735 -1.587 -1.259
H  0.455 -0.571 0.851
H  -1.075 0.187 0.260
H  0.759 1.861 0.813
H  1.765 1.139 -0.504
H  -0.880 2.681 -0.694
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H  -0.182 1.986 -3.330
H  -1.605 1.413 -2.386
H  1.024 0.024 -3.006
H  -0.668 -0.529 -3.272
H  1.055 -1.391 -1.271
 18 
energy.map (159,2)
C 0.000 0.000 -2.541
C 0.081 -0.823 -1.269
C 0.000 0.000 0.000
C 0.714 1.322 -0.172
C 0.000 2.189 -1.183
C -0.466 1.432 -2.411
H  -0.746 -1.581 -1.259
H  0.456 -0.573 0.849
H  -1.074 0.191 0.263
H  0.770 1.858 0.811
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H  -0.889 2.665 -0.691
H  0.684 3.023 -1.490
H  -0.141 1.990 -3.329
H  -1.589 1.434 -2.416
H  1.024 0.011 -3.008
H  -0.675 -0.523 -3.271
H  1.045 -1.397 -1.272
 18 
energy.map (159,3)
C 0.000 0.000 -2.543
C 0.075 -0.822 -1.268
C 0.000 0.000 0.000
C 0.719 1.319 -0.174
C 0.000 2.189 -1.179
C -0.449 1.438 -2.417
H  -0.758 -1.574 -1.259
H  0.456 -0.574 0.847
H  -1.072 0.194 0.266
H  0.780 1.854 0.810
H  1.768 1.126 -0.518
H  -0.897 2.650 -0.687
H  0.676 3.033 -1.476
H  -0.100 1.993 -3.328
H  -1.572 1.455 -2.445
H  1.023 -0.002 -3.011
H  -0.681 -0.518 -3.270
H  1.036 -1.402 -1.272
 18 
energy.map (160,0)
C 0.000 0.000 -2.544
C 0.069 -0.822 -1.268
C 0.000 0.000 0.000
C 0.723 1.317 -0.175
C 0.000 2.189 -1.176
C -0.433 1.444 -2.423
H  -0.769 -1.568 -1.259
H  0.456 -0.576 0.846
H  -1.071 0.198 0.269
H  0.791 1.851 0.808
H  1.770 1.119 -0.524
H  -0.905 2.634 -0.684
H  0.668 3.044 -1.461
H  -0.059 1.996 -3.327
H  -1.556 1.476 -2.474
H  1.023 -0.015 -3.013
H  -0.688 -0.512 -3.269
H  1.026 -1.408 -1.273
 18 
energy.map (160,1)
C 0.000 0.000 -2.547
C 0.028 -0.818 -1.270
C 0.000 0.000 0.000
C 0.731 1.311 -0.184
C 0.000 2.185 -1.176
C -0.402 1.454 -2.440
H  -0.843 -1.519 -1.261
H  0.469 -0.585 0.832
H  -1.061 0.208 0.296
H  0.814 1.845 0.798
H  1.773 1.107 -0.546
H  -0.919 2.601 -0.687
H  0.650 3.059 -1.440
H  0.021 1.994 -3.325
H  -1.516 1.516 -2.536
H  1.030 -0.039 -2.997
H  -0.685 -0.500 -3.283
H  0.950 -1.450 -1.277
 18 
energy.map (160,2)
C 0.000 0.000 -2.550
C -0.013 -0.813 -1.273
C 0.000 0.000 0.000
C 0.740 1.305 -0.193
C 0.000 2.182 -1.177
C -0.370 1.464 -2.457
H  -0.917 -1.470 -1.263
H  0.481 -0.595 0.819
H  -1.051 0.218 0.322
H  0.837 1.838 0.788
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H  -0.933 2.567 -0.691
H  0.633 3.073 -1.419
H  0.101 1.993 -3.322
H  -1.477 1.555 -2.598
H  1.037 -0.062 -2.981
H  -0.681 -0.489 -3.297
H  0.874 -1.492 -1.281
 18 
energy.map (160,3)
C 0.000 0.000 -2.553
C -0.054 -0.809 -1.275
C 0.000 0.000 0.000
C 0.748 1.298 -0.201
C 0.000 2.178 -1.177
C -0.339 1.473 -2.474
H  -0.991 -1.420 -1.264
H  0.494 -0.604 0.805
H  -1.041 0.227 0.349
H  0.860 1.832 0.777
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H  -0.947 2.534 -0.694
H  0.615 3.088 -1.397
H  0.181 1.991 -3.320
H  -1.437 1.595 -2.659
H  1.043 -0.085 -2.965
H  -0.678 -0.477 -3.311
H  0.798 -1.533 -1.285
 18 
energy.map (161,0)
C 0.000 0.000 -2.556
C -0.095 -0.804 -1.277
C 0.000 0.000 0.000
C 0.756 1.292 -0.210
C 0.000 2.174 -1.177
C -0.307 1.483 -2.491
H  -1.065 -1.371 -1.266
H  0.506 -0.613 0.791
H  -1.031 0.237 0.375
H  0.883 1.825 0.767
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H  -0.961 2.500 -0.697
H  0.597 3.102 -1.376
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H  -1.397 1.634 -2.721
H  1.050 -0.109 -2.949
H  -0.674 -0.465 -3.325
H  0.722 -1.575 -1.289
 18 
energy.map (161,1)
C 0.000 0.000 -2.559
C -0.097 -0.801 -1.279
C 0.000 0.000 0.000
C 0.755 1.293 -0.211
C 0.000 2.173 -1.180
C -0.292 1.486 -2.499
H  -1.068 -1.366 -1.269
H  0.509 -0.614 0.789
H  -1.030 0.236 0.378
H  0.880 1.827 0.766
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H  -0.966 2.490 -0.705
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H  0.296 1.986 -3.314
H  -1.375 1.650 -2.747
H  1.047 -0.121 -2.957
H  -0.682 -0.461 -3.324
H  0.718 -1.575 -1.290
 18 
energy.map (161,2)
C 0.000 0.000 -2.563
C -0.099 -0.799 -1.281
C 0.000 0.000 0.000
C 0.754 1.293 -0.212
C 0.000 2.172 -1.182
C -0.277 1.489 -2.506
H  -1.072 -1.362 -1.271
H  0.511 -0.615 0.787
H  -1.029 0.235 0.381
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H  -0.972 2.480 -0.713
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H  0.331 1.982 -3.310
H  -1.353 1.665 -2.773
H  1.044 -0.133 -2.964
H  -0.690 -0.456 -3.323
H  0.714 -1.575 -1.292
 18 
energy.map (161,3)
C 0.000 0.000 -2.566
C -0.100 -0.796 -1.282
C 0.000 0.000 0.000
C 0.753 1.294 -0.213
C 0.000 2.171 -1.185
C -0.261 1.492 -2.514
H  -1.075 -1.357 -1.274
H  0.514 -0.615 0.784
H  -1.028 0.233 0.384
H  0.874 1.830 0.764
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H  -0.978 2.469 -0.721
H  0.579 3.116 -1.357
H  0.366 1.979 -3.307
H  -1.331 1.681 -2.799
H  1.041 -0.144 -2.972
H  -0.698 -0.452 -3.321
H  0.710 -1.574 -1.293
 18 
energy.map (162,0)
C 0.000 0.000 -2.569
C -0.102 -0.793 -1.284
C 0.000 0.000 0.000
C 0.752 1.294 -0.214
C 0.000 2.170 -1.187
C -0.246 1.495 -2.521
H  -1.078 -1.352 -1.276
H  0.516 -0.616 0.782
H  -1.027 0.232 0.387
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H  -0.983 2.459 -0.729
H  0.573 3.121 -1.350
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H  -1.309 1.696 -2.825
H  1.038 -0.156 -2.979
H  -0.706 -0.447 -3.320
H  0.706 -1.574 -1.294
 18 
energy.map (162,1)
C 0.000 0.000 -2.567
C -0.068 -0.797 -1.282
C 0.000 0.000 0.000
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C 0.000 2.174 -1.179
C -0.247 1.495 -2.510
H  -1.017 -1.395 -1.274
H  0.504 -0.611 0.794
H  -1.037 0.224 0.364
H  0.848 1.835 0.780
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H  -0.983 2.469 -0.725
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H  0.397 1.978 -3.294
H  -1.311 1.694 -2.812
H  1.025 -0.155 -3.004
H  -0.724 -0.446 -3.300
H  0.771 -1.540 -1.291
 18 
energy.map (162,2)
C 0.000 0.000 -2.564
C -0.035 -0.801 -1.281
C 0.000 0.000 0.000
C 0.738 1.306 -0.185
C 0.000 2.178 -1.171
C -0.248 1.494 -2.500
H  -0.956 -1.438 -1.272
H  0.492 -0.605 0.805
H  -1.046 0.215 0.341
H  0.826 1.839 0.797
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H  -1.313 1.693 -2.800
H  1.013 -0.154 -3.029
H  -0.742 -0.445 -3.279
H  0.835 -1.506 -1.288
 18 
energy.map (162,3)
C 0.000 0.000 -2.562
C -0.001 -0.804 -1.279
C 0.000 0.000 0.000
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C 0.000 2.182 -1.163
C -0.248 1.494 -2.489
H  -0.894 -1.480 -1.270
H  0.479 -0.600 0.817
H  -1.056 0.207 0.318
H  0.803 1.842 0.814
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H  -0.983 2.490 -0.716
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H  0.389 1.983 -3.275
H  -1.315 1.691 -2.787
H  1.000 -0.152 -3.054
H  -0.760 -0.444 -3.259
H  0.900 -1.471 -1.285
 18 
energy.map (163,0)
C 0.000 0.000 -2.559
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C 0.000 0.000 0.000
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C 0.000 2.186 -1.155
C -0.249 1.493 -2.478
H  -0.833 -1.523 -1.268
H  0.467 -0.595 0.828
H  -1.065 0.198 0.295
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H  0.385 1.985 -3.265
H  -1.317 1.689 -2.774
H  0.987 -0.151 -3.079
H  -0.778 -0.443 -3.238
H  0.964 -1.437 -1.282
 18 
energy.map (163,1)
C 0.000 0.000 -2.556
C 0.062 -0.807 -1.275
C 0.000 0.000 0.000
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C 0.000 2.189 -1.150
C -0.248 1.494 -2.471
H  -0.777 -1.551 -1.267
H  0.457 -0.592 0.835
H  -1.071 0.190 0.276
H  0.754 1.848 0.846
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H  -0.983 2.507 -0.710
H  0.598 3.121 -1.326
H  0.385 1.987 -3.259
H  -1.317 1.690 -2.766
H  0.974 -0.152 -3.099
H  -0.793 -0.443 -3.216
H  1.013 -1.401 -1.279
 18 
energy.map (163,2)
C 0.000 0.000 -2.554
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C 0.000 0.000 0.000
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C 0.000 2.192 -1.144
C -0.248 1.494 -2.464
H  -0.720 -1.579 -1.266
H  0.446 -0.589 0.843
H  -1.077 0.183 0.258
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H  -1.316 1.690 -2.757
H  0.960 -0.153 -3.118
H  -0.809 -0.444 -3.195
H  1.063 -1.364 -1.276
 18 
energy.map (163,3)
C 0.000 0.000 -2.551
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C 0.000 0.000 0.000
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C 0.000 2.195 -1.139
C -0.247 1.495 -2.457
H  -0.664 -1.607 -1.265
H  0.436 -0.587 0.851
H  -1.082 0.175 0.239
H  0.703 1.851 0.875
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H  -0.984 2.522 -0.705
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H  0.384 1.990 -3.246
H  -1.316 1.691 -2.749
H  0.947 -0.154 -3.138
H  -0.824 -0.444 -3.173
H  1.112 -1.328 -1.272
 18 
energy.map (164,0)
C 0.000 0.000 -2.548
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C 0.000 0.000 0.000
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C 0.000 2.198 -1.133
C -0.246 1.495 -2.450
H  -0.607 -1.635 -1.264
H  0.425 -0.584 0.858
H  -1.088 0.167 0.220
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H  -1.315 1.691 -2.740
H  0.933 -0.155 -3.157
H  -0.839 -0.444 -3.151
H  1.161 -1.291 -1.269
 18 
energy.map (164,1)
C 0.000 0.000 -2.546
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C -0.243 1.495 -2.448
H  -0.559 -1.651 -1.264
H  0.417 -0.582 0.863
H  -1.092 0.159 0.205
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H  -1.311 1.693 -2.742
H  0.920 -0.159 -3.173
H  -0.851 -0.445 -3.130
H  1.197 -1.257 -1.267
 18 
energy.map (164,2)
C 0.000 0.000 -2.544
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C 0.000 0.000 0.000
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C -0.241 1.496 -2.445
H  -0.511 -1.667 -1.263
H  0.410 -0.580 0.868
H  -1.095 0.152 0.191
H  0.645 1.858 0.908
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H  0.397 1.991 -3.229
H  -1.307 1.696 -2.744
H  0.906 -0.163 -3.188
H  -0.863 -0.447 -3.108
H  1.233 -1.223 -1.265
 18 
energy.map (164,3)
C 0.000 0.000 -2.541
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C 0.000 0.000 0.000
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C 0.000 2.202 -1.123
C -0.238 1.496 -2.443
H  -0.462 -1.683 -1.263
H  0.402 -0.578 0.873
H  -1.099 0.144 0.176
H  0.629 1.861 0.916
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H  -0.987 2.546 -0.712
H  0.616 3.122 -1.302
H  0.403 1.990 -3.224
H  -1.302 1.698 -2.746
H  0.893 -0.166 -3.204
H  -0.875 -0.448 -3.087
H  1.268 -1.188 -1.262
 18 
energy.map (165,0)
C 0.000 0.000 -2.539
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C 0.000 0.000 0.000
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C 0.000 2.203 -1.120
C -0.235 1.496 -2.440
H  -0.414 -1.699 -1.262
H  0.394 -0.576 0.878
H  -1.102 0.136 0.161
H  0.613 1.864 0.925
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 18 
energy.map (165,1)
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H  -0.376 -1.707 -1.263
H  0.389 -0.575 0.881
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H  -1.290 1.706 -2.756
H  0.867 -0.176 -3.230
H  -0.896 -0.448 -3.047
H  1.328 -1.125 -1.259
 18 
energy.map (165,2)
C 0.000 0.000 -2.536
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C 0.000 0.000 0.000
C 0.663 1.357 -0.060
C 0.000 2.204 -1.118
C -0.225 1.500 -2.441
H  -0.339 -1.715 -1.264
H  0.384 -0.575 0.883
H  -1.105 0.127 0.141
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H  0.435 1.987 -3.211
H  -1.281 1.712 -2.764
H  0.855 -0.181 -3.242
H  -0.906 -0.448 -3.029
H  1.353 -1.096 -1.258
 18 
energy.map (165,3)
C 0.000 0.000 -2.534
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C 0.000 0.000 0.000
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C 0.000 2.204 -1.116
C -0.219 1.501 -2.442
H  -0.301 -1.723 -1.264
H  0.379 -0.575 0.886
H  -1.107 0.123 0.131
H  0.569 1.869 0.940
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H  -0.995 2.551 -0.725
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H  -1.273 1.718 -2.771
H  0.843 -0.187 -3.253
H  -0.915 -0.447 -3.010
H  1.377 -1.066 -1.257
 18 
energy.map (166,0)
C 0.000 0.000 -2.532
C 0.311 -0.766 -1.263
C 0.000 0.000 0.000
C 0.653 1.362 -0.049
C 0.000 2.204 -1.115
C -0.214 1.503 -2.442
H  -0.263 -1.731 -1.265
H  0.374 -0.574 0.888
H  -1.108 0.118 0.121
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H  -0.997 2.551 -0.728
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H  -1.264 1.724 -2.779
H  0.831 -0.192 -3.264
H  -0.924 -0.446 -2.992
H  1.401 -1.037 -1.256
 18 
energy.map (166,1)
C 0.000 0.000 -2.531
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C 0.000 0.000 0.000
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C 0.000 2.205 -1.118
C -0.206 1.504 -2.446
H  -0.236 -1.735 -1.265
H  0.373 -0.573 0.889
H  -1.109 0.112 0.114
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H  0.479 1.980 -3.199
H  -1.251 1.731 -2.793
H  0.820 -0.200 -3.273
H  -0.932 -0.444 -2.976
H  1.417 -1.016 -1.256
 18 
energy.map (166,2)
C 0.000 0.000 -2.531
C 0.335 -0.757 -1.263
C 0.000 0.000 0.000
C 0.642 1.368 -0.042
C 0.000 2.206 -1.120
C -0.198 1.505 -2.449
H  -0.210 -1.738 -1.266
H  0.372 -0.571 0.890
H  -1.111 0.106 0.108
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H  0.498 1.977 -3.196
H  -1.238 1.738 -2.808
H  0.810 -0.208 -3.282
H  -0.940 -0.443 -2.961
H  1.432 -0.994 -1.255
 18 
energy.map (166,3)
C 0.000 0.000 -2.530
C 0.346 -0.752 -1.262
C 0.000 0.000 0.000
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C 0.000 2.207 -1.123
C -0.190 1.505 -2.453
H  -0.183 -1.742 -1.266
H  0.371 -0.570 0.891
H  -1.112 0.099 0.101
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H  -1.005 2.552 -0.754
H  0.618 3.131 -1.281
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H  -1.224 1.745 -2.822
H  0.799 -0.216 -3.290
H  -0.948 -0.441 -2.945
H  1.448 -0.973 -1.255
 18 
energy.map (167,0)
C 0.000 0.000 -2.529
C 0.358 -0.748 -1.262
C 0.000 0.000 0.000
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C 0.000 2.208 -1.125
C -0.182 1.506 -2.456
H  -0.156 -1.745 -1.266
H  0.370 -0.569 0.892
H  -1.113 0.093 0.094
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H  -1.211 1.752 -2.836
H  0.788 -0.224 -3.299
H  -0.956 -0.439 -2.929
H  1.463 -0.952 -1.254
 18 
energy.map (167,1)
C 0.000 0.000 -2.529
C 0.365 -0.745 -1.262
C 0.000 0.000 0.000
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C 0.000 2.210 -1.129
C -0.171 1.507 -2.461
H  -0.141 -1.746 -1.266
H  0.371 -0.567 0.893
H  -1.114 0.087 0.092
H  0.475 1.889 0.954
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H  0.616 3.136 -1.280
H  0.559 1.963 -3.185
H  -1.192 1.760 -2.855
H  0.779 -0.233 -3.305
H  -0.963 -0.434 -2.917
H  1.471 -0.940 -1.254
 18 
energy.map (167,2)
C 0.000 0.000 -2.529
C 0.371 -0.742 -1.263
C 0.000 0.000 0.000
C 0.616 1.381 -0.031
C 0.000 2.211 -1.133
C -0.160 1.508 -2.466
H  -0.127 -1.748 -1.266
H  0.372 -0.566 0.893
H  -1.114 0.081 0.089
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H  -1.013 2.557 -0.788
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H  0.584 1.957 -3.181
H  -1.174 1.769 -2.874
H  0.770 -0.242 -3.312
H  -0.970 -0.429 -2.906
H  1.479 -0.928 -1.255
 18 
energy.map (167,3)
C 0.000 0.000 -2.529
C 0.378 -0.740 -1.263
C 0.000 0.000 0.000
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C 0.000 2.213 -1.137
C -0.148 1.508 -2.470
H  -0.112 -1.749 -1.265
H  0.372 -0.565 0.894
H  -1.115 0.075 0.087
H  0.442 1.896 0.955
H  1.719 1.300 -0.174
H  -1.015 2.560 -0.800
H  0.617 3.139 -1.280
H  0.608 1.951 -3.176
H  -1.155 1.777 -2.892
H  0.760 -0.250 -3.318
H  -0.977 -0.424 -2.894
H  1.487 -0.916 -1.255
 18 
energy.map (168,0)
C 0.000 0.000 -2.529
C 0.384 -0.737 -1.263
C 0.000 0.000 0.000
C 0.602 1.387 -0.027
C 0.000 2.214 -1.141
C -0.137 1.509 -2.475
H  -0.097 -1.750 -1.265
H  0.373 -0.563 0.894
H  -1.115 0.069 0.084
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H  -1.136 1.785 -2.911
H  0.751 -0.259 -3.324
H  -0.984 -0.419 -2.882
H  1.495 -0.904 -1.255
 18 
energy.map (168,1)
C 0.000 0.000 -2.528
C 0.382 -0.739 -1.262
C 0.000 0.000 0.000
C 0.603 1.387 -0.026
C 0.000 2.213 -1.138
C -0.121 1.511 -2.475
H  -0.104 -1.750 -1.265
H  0.373 -0.563 0.894
H  -1.115 0.070 0.085
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H  -1.108 1.798 -2.928
H  0.745 -0.267 -3.326
H  -0.990 -0.409 -2.876
H  1.492 -0.910 -1.254
 18 
energy.map (168,2)
C 0.000 0.000 -2.527
C 0.379 -0.741 -1.261
C 0.000 0.000 0.000
C 0.603 1.388 -0.024
C 0.000 2.213 -1.136
C -0.106 1.512 -2.474
H  -0.111 -1.751 -1.265
H  0.374 -0.563 0.894
H  -1.115 0.072 0.086
H  0.426 1.899 0.959
H  1.714 1.308 -0.161
H  -1.029 2.537 -0.817
H  0.601 3.152 -1.263
H  0.699 1.930 -3.140
H  -1.080 1.811 -2.946
H  0.738 -0.276 -3.327
H  -0.995 -0.399 -2.870
H  1.489 -0.915 -1.253
 18 
energy.map (168,3)
C 0.000 0.000 -2.525
C 0.377 -0.743 -1.260
C 0.000 0.000 0.000
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C 0.000 2.212 -1.133
C -0.090 1.514 -2.474
H  -0.117 -1.751 -1.264
H  0.374 -0.564 0.893
H  -1.115 0.073 0.087
H  0.427 1.898 0.960
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H  -1.034 2.524 -0.819
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H  0.732 1.923 -3.125
H  -1.052 1.823 -2.963
H  0.732 -0.284 -3.329
H  -1.001 -0.389 -2.864
H  1.485 -0.921 -1.252
 18 
energy.map (169,0)
C 0.000 0.000 -2.524
C 0.374 -0.745 -1.259
C 0.000 0.000 0.000
C 0.604 1.388 -0.021
C 0.000 2.211 -1.130
C -0.074 1.515 -2.473
H  -0.124 -1.751 -1.264
H  0.374 -0.564 0.893
H  -1.115 0.074 0.088
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H  0.765 1.915 -3.109
H  -1.024 1.836 -2.980
H  0.726 -0.292 -3.330
H  -1.006 -0.379 -2.858
H  1.482 -0.926 -1.251
 18 
energy.map (169,1)
C 0.000 0.000 -2.526
C 0.378 -0.740 -1.260
C 0.000 0.000 0.000
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C 0.000 2.209 -1.133
C -0.061 1.516 -2.478
H  -0.113 -1.750 -1.266
H  0.374 -0.565 0.893
H  -1.116 0.069 0.085
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H  -1.001 1.845 -2.998
H  0.716 -0.301 -3.337
H  -1.012 -0.372 -2.849
H  1.487 -0.915 -1.253
 18 
energy.map (169,2)
C 0.000 0.000 -2.528
C 0.382 -0.736 -1.261
C 0.000 0.000 0.000
C 0.596 1.390 -0.018
C 0.000 2.208 -1.137
C -0.048 1.516 -2.483
H  -0.102 -1.749 -1.268
H  0.374 -0.566 0.892
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H  0.816 1.902 -3.092
H  -0.978 1.853 -3.016
H  0.707 -0.311 -3.343
H  -1.018 -0.365 -2.839
H  1.493 -0.905 -1.254
 18 
energy.map (169,3)
C 0.000 0.000 -2.529
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C 0.000 0.000 0.000
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C 0.000 2.206 -1.140
C -0.035 1.517 -2.488
H  -0.091 -1.747 -1.269
H  0.374 -0.567 0.892
H  -1.117 0.059 0.080
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H  -0.954 1.862 -3.033
H  0.697 -0.320 -3.350
H  -1.024 -0.358 -2.830
H  1.498 -0.894 -1.256
 18 
energy.map (170,0)
C 0.000 0.000 -2.531
C 0.389 -0.727 -1.262
C 0.000 0.000 0.000
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C 0.000 2.204 -1.143
C -0.022 1.517 -2.493
H  -0.080 -1.746 -1.271
H  0.374 -0.568 0.891
H  -1.117 0.054 0.077
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H  -0.931 1.870 -3.051
H  0.687 -0.329 -3.356
H  -1.030 -0.351 -2.820
H  1.503 -0.883 -1.257
 18 
energy.map (170,1)
C 0.000 0.000 -2.532
C 0.390 -0.726 -1.263
C 0.000 0.000 0.000
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C 0.000 2.201 -1.145
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H  -0.079 -1.745 -1.271
H  0.373 -0.569 0.891
H  -1.117 0.056 0.078
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H  -0.902 1.880 -3.069
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H  -1.035 -0.342 -2.815
H  1.504 -0.880 -1.258
 18 
energy.map (170,2)
C 0.000 0.000 -2.534
C 0.391 -0.724 -1.264
C 0.000 0.000 0.000
C 0.588 1.393 -0.010
C 0.000 2.198 -1.147
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H  -0.078 -1.744 -1.272
H  0.373 -0.569 0.891
H  -1.117 0.058 0.079
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H  0.923 1.867 -3.051
H  -0.873 1.890 -3.087
H  0.671 -0.345 -3.365
H  -1.039 -0.333 -2.810
H  1.505 -0.877 -1.259
 18 
energy.map (170,3)
C 0.000 0.000 -2.535
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C 0.000 0.000 0.000
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H  0.372 -0.569 0.891
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H  -0.843 1.900 -3.105
H  0.663 -0.352 -3.370
H  -1.044 -0.323 -2.805
H  1.505 -0.875 -1.259
 18 
energy.map (171,0)
C 0.000 0.000 -2.536
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C 0.000 0.000 0.000
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C 0.000 2.192 -1.150
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H  0.371 -0.570 0.891
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H  -1.048 -0.314 -2.800
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 18 
energy.map (171,1)
C 0.000 0.000 -2.536
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C 0.000 0.000 0.000
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H  0.372 -0.569 0.892
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H  -1.052 -0.304 -2.793
H  1.506 -0.873 -1.260
 18 
energy.map (171,2)
C 0.000 0.000 -2.535
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C 0.000 0.000 0.000
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C 0.000 2.191 -1.156
C 0.068 1.515 -2.511
H  -0.074 -1.744 -1.272
H  0.374 -0.567 0.892
H  -1.117 0.059 0.082
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H  -0.757 1.922 -3.153
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H  -1.057 -0.295 -2.786
H  1.507 -0.873 -1.260
 18 
energy.map (171,3)
C 0.000 0.000 -2.535
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C 0.000 0.000 0.000
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C 0.000 2.191 -1.158
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H  -0.073 -1.744 -1.272
H  0.375 -0.566 0.893
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H  -0.728 1.927 -3.168
H  0.633 -0.383 -3.379
H  -1.061 -0.285 -2.778
H  1.507 -0.873 -1.259
 18 
energy.map (172,0)
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C 0.000 0.000 0.000
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C 0.000 2.190 -1.161
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H  -0.072 -1.745 -1.272
H  0.376 -0.565 0.893
H  -1.117 0.057 0.084
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H  -1.065 -0.275 -2.771
H  1.507 -0.874 -1.259
 18 
energy.map (172,1)
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H  -0.075 -1.745 -1.272
H  0.378 -0.565 0.893
H  -1.117 0.055 0.084
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H  -0.667 1.939 -3.197
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H  -1.069 -0.264 -2.764
H  1.506 -0.877 -1.259
 18 
energy.map (172,2)
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C 0.000 0.000 0.000
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C 0.000 2.185 -1.165
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H  -0.079 -1.745 -1.271
H  0.379 -0.564 0.892
H  -1.117 0.054 0.085
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H  -1.088 2.369 -0.958
H  0.494 3.192 -1.213
H  1.138 1.778 -2.937
H  -0.634 1.946 -3.210
H  0.609 -0.404 -3.384
H  -1.073 -0.253 -2.758
H  1.505 -0.880 -1.260
 18 
energy.map (172,3)
C 0.000 0.000 -2.532
C 0.391 -0.727 -1.263
C 0.000 0.000 0.000
C 0.579 1.397 -0.012
C 0.000 2.183 -1.166
C 0.147 1.509 -2.516
H  -0.082 -1.745 -1.271
H  0.381 -0.563 0.892
H  -1.117 0.052 0.085
H  0.341 1.916 0.954
H  1.694 1.346 -0.099
H  -1.091 2.356 -0.967
H  0.487 3.193 -1.208
H  1.164 1.764 -2.920
H  -0.601 1.952 -3.224
H  0.601 -0.410 -3.386
H  -1.076 -0.242 -2.751
H  1.504 -0.883 -1.260
 18 
energy.map (173,0)
C 0.000 0.000 -2.531
C 0.390 -0.728 -1.263
C 0.000 0.000 0.000
C 0.577 1.398 -0.012
C 0.000 2.180 -1.168
C 0.163 1.507 -2.516
H  -0.085 -1.745 -1.270
H  0.382 -0.563 0.891
H  -1.117 0.050 0.085
H  0.337 1.916 0.954
H  1.692 1.348 -0.096
H  -1.094 2.343 -0.977
H  0.479 3.194 -1.203
H  1.190 1.751 -2.904
H  -0.569 1.958 -3.237
H  0.593 -0.417 -3.388
H  -1.080 -0.231 -2.744
H  1.503 -0.886 -1.260
 18 
energy.map (173,1)
C 0.000 0.000 -2.531
C 0.391 -0.728 -1.263
C 0.000 0.000 0.000
C 0.575 1.400 -0.014
C 0.000 2.180 -1.173
C 0.178 1.505 -2.518
H  -0.083 -1.746 -1.270
H  0.383 -0.562 0.891
H  -1.117 0.049 0.086
H  0.333 1.920 0.950
H  1.691 1.351 -0.097
H  -1.097 2.335 -0.989
H  0.474 3.196 -1.208
H  1.213 1.738 -2.889
H  -0.538 1.961 -3.251
H  0.584 -0.424 -3.390
H  -1.083 -0.221 -2.737
H  1.504 -0.885 -1.260
 18 
energy.map (173,2)
C 0.000 0.000 -2.531
C 0.392 -0.729 -1.264
C 0.000 0.000 0.000
C 0.573 1.401 -0.017
C 0.000 2.179 -1.179
C 0.194 1.503 -2.520
H  -0.082 -1.747 -1.271
H  0.385 -0.561 0.892
H  -1.117 0.048 0.087
H  0.329 1.924 0.945
H  1.689 1.353 -0.098
H  -1.099 2.326 -1.002
H  0.469 3.198 -1.213
H  1.237 1.724 -2.874
H  -0.507 1.963 -3.264
H  0.576 -0.432 -3.392
H  -1.087 -0.211 -2.729
H  1.504 -0.884 -1.260
 18 
energy.map (173,3)
C 0.000 0.000 -2.530
C 0.392 -0.730 -1.264
C 0.000 0.000 0.000
C 0.570 1.403 -0.019
C 0.000 2.179 -1.184
C 0.209 1.500 -2.521
H  -0.080 -1.748 -1.271
H  0.386 -0.559 0.892
H  -1.116 0.047 0.088
H  0.324 1.927 0.941
H  1.688 1.356 -0.098
H  -1.102 2.318 -1.014
H  0.463 3.200 -1.217
H  1.260 1.711 -2.859
H  -0.476 1.966 -3.278
H  0.567 -0.439 -3.393
H  -1.090 -0.200 -2.722
H  1.505 -0.883 -1.259
 18 
energy.map (174,0)
C 0.000 0.000 -2.530
C 0.393 -0.730 -1.264
C 0.000 0.000 0.000
C 0.568 1.404 -0.021
C 0.000 2.178 -1.189
C 0.224 1.498 -2.523
H  -0.078 -1.749 -1.271
H  0.387 -0.558 0.892
H  -1.116 0.046 0.089
H  0.320 1.931 0.936
H  1.686 1.358 -0.099
H  -1.104 2.309 -1.026
H  0.458 3.202 -1.222
H  1.283 1.697 -2.844
H  -0.445 1.968 -3.291
H  0.558 -0.446 -3.395
H  -1.093 -0.190 -2.714
H  1.505 -0.882 -1.259
 18 
energy.map (174,1)
C 0.000 0.000 -2.529
C 0.404 -0.726 -1.264
C 0.000 0.000 0.000
C 0.564 1.406 -0.021
C 0.000 2.178 -1.192
C 0.236 1.497 -2.523
H  -0.055 -1.750 -1.271
H  0.387 -0.556 0.893
H  -1.117 0.041 0.084
H  0.310 1.933 0.935
H  1.682 1.363 -0.093
H  -1.106 2.304 -1.038
H  0.453 3.204 -1.224
H  1.299 1.689 -2.833
H  -0.423 1.970 -3.299
H  0.548 -0.451 -3.398
H  -1.095 -0.184 -2.702
H  1.517 -0.864 -1.259
 18 
energy.map (174,2)
C 0.000 0.000 -2.528
C 0.414 -0.722 -1.263
C 0.000 0.000 0.000
C 0.559 1.408 -0.020
C 0.000 2.178 -1.195
C 0.247 1.496 -2.523
H  -0.032 -1.752 -1.272
H  0.388 -0.554 0.894
H  -1.117 0.036 0.079
H  0.300 1.935 0.935
H  1.678 1.368 -0.087
H  -1.108 2.299 -1.049
H  0.449 3.205 -1.225
H  1.314 1.681 -2.822
H  -0.401 1.971 -3.306
H  0.538 -0.455 -3.400
H  -1.098 -0.178 -2.690
H  1.529 -0.847 -1.259
 18 
energy.map (174,3)
C 0.000 0.000 -2.526
C 0.425 -0.717 -1.263
C 0.000 0.000 0.000
C 0.555 1.409 -0.020
C 0.000 2.177 -1.197
C 0.259 1.494 -2.523
H  -0.009 -1.753 -1.272
H  0.388 -0.552 0.895
H  -1.118 0.030 0.074
H  0.290 1.936 0.934
H  1.674 1.373 -0.081
H  -1.109 2.294 -1.061
H  0.444 3.207 -1.227
H  1.330 1.672 -2.811
H  -0.378 1.973 -3.314
H  0.527 -0.460 -3.403
H  -1.100 -0.171 -2.677
H  1.541 -0.829 -1.258
 18 
energy.map (175,0)
C 0.000 0.000 -2.525
C 0.435 -0.713 -1.262
C 0.000 0.000 0.000
C 0.550 1.411 -0.019
C 0.000 2.177 -1.200
C 0.270 1.493 -2.523
H  0.014 -1.754 -1.272
H  0.388 -0.550 0.896
H  -1.118 0.025 0.069
H  0.280 1.938 0.933
H  1.670 1.378 -0.075
H  -1.111 2.289 -1.072
H  0.439 3.208 -1.228
H  1.345 1.664 -2.800
H  -0.356 1.974 -3.321
H  0.517 -0.464 -3.405
H  -1.102 -0.165 -2.665
H  1.553 -0.811 -1.258
 18 
energy.map (175,1)
C 0.000 0.000 -2.523
C 0.443 -0.710 -1.261
C 0.000 0.000 0.000
C 0.541 1.415 -0.013
C 0.000 2.177 -1.202
C 0.282 1.490 -2.520
H  0.033 -1.755 -1.269
H  0.386 -0.549 0.898
H  -1.119 0.018 0.063
H  0.254 1.940 0.935
H  1.661 1.389 -0.056
H  -1.112 2.290 -1.083
H  0.440 3.208 -1.226
H  1.362 1.652 -2.783
H  -0.328 1.976 -3.326
H  0.507 -0.468 -3.406
H  -1.104 -0.157 -2.653
H  1.562 -0.796 -1.257
 18 
energy.map (175,2)
C 0.000 0.000 -2.520
C 0.451 -0.707 -1.260
C 0.000 0.000 0.000
C 0.531 1.419 -0.007
C 0.000 2.176 -1.203
C 0.295 1.487 -2.518
H  0.051 -1.756 -1.266
H  0.385 -0.548 0.900
H  -1.119 0.010 0.057
H  0.228 1.942 0.937
H  1.652 1.401 -0.036
H  -1.112 2.291 -1.094
H  0.440 3.208 -1.224
H  1.380 1.641 -2.765
H  -0.300 1.978 -3.332
H  0.497 -0.472 -3.407
H  -1.106 -0.150 -2.640
H  1.571 -0.781 -1.256
 18 
energy.map (175,3)
C 0.000 0.000 -2.518
C 0.459 -0.704 -1.258
C 0.000 0.000 0.000
C 0.522 1.422 -0.001
C 0.000 2.176 -1.205
C 0.307 1.484 -2.515
H  0.069 -1.756 -1.263
H  0.383 -0.546 0.901
H  -1.120 0.003 0.051
H  0.202 1.943 0.938
H  1.642 1.412 -0.017
H  -1.113 2.292 -1.104
H  0.441 3.207 -1.222
H  1.397 1.629 -2.748
H  -0.272 1.980 -3.337
H  0.487 -0.475 -3.408
H  -1.108 -0.142 -2.628
H  1.580 -0.766 -1.255
 18 
energy.map (176,0)
C 0.000 0.000 -2.515
C 0.467 -0.701 -1.257
C 0.000 0.000 0.000
C 0.512 1.426 0.005
C 0.000 2.175 -1.206
C 0.319 1.481 -2.512
H  0.088 -1.757 -1.260
H  0.381 -0.545 0.903
H  -1.120 -0.005 0.045
H  0.176 1.945 0.940
H  1.633 1.423 0.003
H  -1.113 2.293 -1.115
H  0.441 3.207 -1.220
H  1.414 1.617 -2.730
H  -0.244 1.982 -3.342
H  0.477 -0.479 -3.409
H  -1.110 -0.134 -2.615
H  1.589 -0.751 -1.254
 18 
energy.map (176,1)
C 0.000 0.000 -2.512
C 0.474 -0.700 -1.255
C 0.000 0.000 0.000
C 0.502 1.429 0.008
C 0.000 2.176 -1.209
C 0.332 1.477 -2.510
H  0.100 -1.758 -1.259
H  0.380 -0.543 0.905
H  -1.120 -0.012 0.041
H  0.153 1.948 0.938
H  1.623 1.433 0.018
H  -1.114 2.293 -1.129
H  0.440 3.208 -1.222
H  1.431 1.603 -2.713
H  -0.216 1.981 -3.348
H  0.467 -0.484 -3.409
H  -1.111 -0.126 -2.603
H  1.596 -0.743 -1.253
 18 
energy.map (176,2)
C 0.000 0.000 -2.510
C 0.481 -0.700 -1.253
C 0.000 0.000 0.000
C 0.493 1.432 0.011
C 0.000 2.176 -1.212
C 0.346 1.474 -2.508
H  0.113 -1.760 -1.258
H  0.379 -0.540 0.907
H  -1.121 -0.018 0.038
H  0.130 1.952 0.935
H  1.614 1.443 0.033
H  -1.115 2.293 -1.144
H  0.440 3.209 -1.224
H  1.447 1.589 -2.696
H  -0.188 1.981 -3.354
H  0.457 -0.489 -3.409
H  -1.113 -0.119 -2.592
H  1.602 -0.735 -1.252
 18 
energy.map (176,3)
C 0.000 0.000 -2.507
C 0.487 -0.700 -1.251
C 0.000 0.000 0.000
C 0.484 1.435 0.014
C 0.000 2.177 -1.214
C 0.359 1.470 -2.506
H  0.125 -1.761 -1.256
H  0.378 -0.538 0.908
H  -1.121 -0.025 0.034
H  0.107 1.955 0.933
H  1.604 1.452 0.048
H  -1.115 2.292 -1.158
H  0.439 3.209 -1.226
H  1.464 1.575 -2.679
H  -0.159 1.980 -3.359
H  0.447 -0.493 -3.408
H  -1.114 -0.111 -2.580
H  1.609 -0.727 -1.251
 18 
energy.map (177,0)
C 0.000 0.000 -2.504
C 0.494 -0.699 -1.249
C 0.000 0.000 0.000
C 0.474 1.438 0.017
C 0.000 2.177 -1.217
C 0.372 1.466 -2.504
H  0.137 -1.762 -1.255
H  0.377 -0.535 0.910
H  -1.121 -0.031 0.030
H  0.084 1.958 0.930
H  1.594 1.462 0.063
H  -1.116 2.292 -1.172
H  0.438 3.210 -1.228
H  1.480 1.561 -2.662
H  -0.131 1.979 -3.365
H  0.437 -0.498 -3.408
H  -1.115 -0.103 -2.568
H  1.615 -0.719 -1.250
 18 
energy.map (177,1)
C 0.000 0.000 -2.500
C 0.498 -0.699 -1.247
C 0.000 0.000 0.000
C 0.469 1.440 0.019
C 0.000 2.176 -1.220
C 0.387 1.463 -2.501
H  0.145 -1.763 -1.251
H  0.377 -0.532 0.912
H  -1.121 -0.034 0.029
H  0.072 1.959 0.929
H  1.589 1.468 0.071
H  -1.117 2.285 -1.184
H  0.433 3.211 -1.228
H  1.497 1.547 -2.643
H  -0.099 1.978 -3.370
H  0.427 -0.502 -3.406
H  -1.116 -0.093 -2.557
H  1.619 -0.715 -1.248
 18 
energy.map (177,2)
C 0.000 0.000 -2.496
C 0.502 -0.699 -1.245
C 0.000 0.000 0.000
C 0.464 1.442 0.020
C 0.000 2.175 -1.223
C 0.402 1.460 -2.498
H  0.154 -1.765 -1.248
H  0.377 -0.530 0.914
H  -1.121 -0.037 0.028
H  0.061 1.959 0.928
H  1.583 1.475 0.078
H  -1.117 2.279 -1.196
H  0.428 3.212 -1.229
H  1.515 1.533 -2.624
H  -0.067 1.977 -3.375
H  0.417 -0.507 -3.404
H  -1.117 -0.082 -2.545
H  1.623 -0.711 -1.245
 18 
energy.map (177,3)
C 0.000 0.000 -2.491
C 0.505 -0.699 -1.243
C 0.000 0.000 0.000
C 0.458 1.444 0.022
C 0.000 2.173 -1.226
C 0.417 1.456 -2.495
H  0.162 -1.766 -1.244
H  0.377 -0.527 0.915
H  -1.120 -0.039 0.027
H  0.049 1.960 0.927
H  1.578 1.481 0.085
H  -1.118 2.272 -1.208
H  0.423 3.212 -1.229
H  1.532 1.519 -2.604
H  -0.034 1.976 -3.379
H  0.406 -0.511 -3.402
H  -1.118 -0.072 -2.534
H  1.626 -0.707 -1.243
 18 
energy.map (178,0)
C 0.000 0.000 -2.487
C 0.509 -0.699 -1.241
C 0.000 0.000 0.000
C 0.453 1.446 0.023
C 0.000 2.172 -1.229
C 0.432 1.453 -2.492
H  0.170 -1.767 -1.240
H  0.377 -0.524 0.917
H  -1.120 -0.042 0.026
H  0.037 1.960 0.926
H  1.572 1.487 0.093
H  -1.118 2.265 -1.220
H  0.418 3.213 -1.229
H  1.549 1.505 -2.585
H  -0.002 1.975 -3.384
H  0.396 -0.515 -3.400
H  -1.119 -0.062 -2.522
H  1.630 -0.703 -1.240
 18 
energy.map (178,1)
C 0.000 0.000 -2.484
C 0.513 -0.699 -1.241
C 0.000 0.000 0.000
C 0.448 1.448 0.020
C 0.000 2.172 -1.235
C 0.447 1.449 -2.491
H  0.177 -1.768 -1.239
H  0.380 -0.521 0.917
H  -1.120 -0.047 0.025
H  0.027 1.963 0.921
H  1.567 1.492 0.096
H  -1.118 2.259 -1.235
H  0.414 3.214 -1.234
H  1.565 1.492 -2.569
H  0.028 1.971 -3.390
H  0.386 -0.518 -3.400
H  -1.119 -0.052 -2.513
H  1.634 -0.699 -1.240
 18 
energy.map (178,2)
C 0.000 0.000 -2.482
C 0.518 -0.700 -1.242
C 0.000 0.000 0.000
C 0.444 1.450 0.017
C 0.000 2.171 -1.242
C 0.462 1.446 -2.490
H  0.185 -1.770 -1.238
H  0.384 -0.518 0.917
H  -1.120 -0.051 0.024
H  0.017 1.965 0.915
H  1.561 1.497 0.099
H  -1.119 2.252 -1.250
H  0.411 3.215 -1.239
H  1.580 1.479 -2.552
H  0.059 1.967 -3.396
H  0.375 -0.522 -3.399
H  -1.120 -0.042 -2.503
H  1.638 -0.696 -1.240
 18 
energy.map (178,3)
C 0.000 0.000 -2.479
C 0.522 -0.700 -1.242
C 0.000 0.000 0.000
C 0.439 1.452 0.014
C 0.000 2.171 -1.248
C 0.476 1.442 -2.489
H  0.192 -1.771 -1.236
H  0.387 -0.515 0.917
H  -1.119 -0.056 0.023
H  0.007 1.968 0.910
H  1.556 1.502 0.102
H  -1.119 2.246 -1.265
H  0.407 3.216 -1.243
H  1.596 1.466 -2.536
H  0.089 1.962 -3.402
H  0.365 -0.525 -3.399
H  -1.120 -0.031 -2.494
H  1.642 -0.692 -1.240
 18 
energy.map (179,0)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (179,1)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (179,2)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (179,3)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
 18 
energy.map (180,0)
C 0.000 0.000 -2.476
C 0.526 -0.700 -1.242
C 0.000 0.000 0.000
C 0.434 1.454 0.011
C 0.000 2.170 -1.254
C 0.491 1.438 -2.488
H  0.199 -1.772 -1.235
H  0.390 -0.512 0.917
H  -1.119 -0.060 0.022
H  -0.003 1.970 0.904
H  1.550 1.507 0.105
H  -1.119 2.239 -1.280
H  0.403 3.217 -1.248
H  1.611 1.453 -2.519
H  0.119 1.958 -3.408
H  0.354 -0.528 -3.398
H  -1.120 -0.021 -2.484
H  1.646 -0.688 -1.240
