0 mol 24 unq 0 iso 0 dist 7.40392 8.56483 5.59311 8.23069 5.54419 8.70827 8.92687 8.4051 12.8389 5.11617 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.56483 5.59311 8.23069 5.54419 8.70827 13.278 8.23446 11.4596 13.1779 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.40392 8.56483 5.59311 8.23069 5.54419 8.70827 5.12527 8.75662 11.6684 10.8238 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.40392 8.56483 5.59311 8.59466 7.36323 9.12854 8.92687 8.4051 12.8389 13.2229 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.40392 8.56483 5.59311 8.59466 7.36323 9.12854 13.278 8.23446 11.4596 6.38336 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.40392 8.56483 5.59311 8.59466 7.36323 9.12854 5.12527 8.75662 11.6684 6.7828 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 13.9129 8.80331 21.0357 13.2914 8.95682 21.1014 6.18002 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.90024 9.35453 13.5667 5.84171 6.20293 14.0799 13.2914 8.95682 21.1014 8.38399 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.61812 9.58313 4.86592 11.5079 8.87449 10.8527 7.76066 7.80975 5.75014 7.97897 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 6.80429 8.69985 12.4099 11.4333 7.80523 13.2744 7.74599 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.66715 9.29665 17.3196 14.0905 7.11802 22.5735 5.05981 9.22232 9.98436 16.0138 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.66715 9.29665 17.3196 14.0905 7.11802 22.5735 17.5205 9.22661 26.4365 5.92062 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.66715 9.29665 17.3196 14.0905 7.11802 22.5735 15.4908 7.56378 23.0227 6.61891 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 4.68975 7.85849 4.60632 9.30817 9.89303 7.69991 6.64576 5.83771 6.40575 7.41674 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 4.9155 7.85849 5.71679 9.30817 6.54501 7.69991 6.64576 7.80532 6.40575 7.41674 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 4.9155 7.85849 5.71679 10.879 6.49416 6.23142 6.64576 7.80532 6.40575 9.87376 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 9.42271 6.08299 5.71679 6.16353 6.54501 7.69991 5.87436 7.80532 6.40575 7.41674 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 9.42271 6.08299 5.71679 7.07625 6.49416 6.23142 5.87436 7.80532 6.40575 9.87376 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 7.70631 9.3055 7.16732 12.7195 8.56633 15.5383 14.5203 7.50013 13.0799 8.46623 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 7.70631 9.3055 7.16732 12.7195 8.56633 15.5383 11.199 5.81233 10.1471 10.7305 numMergedOcc 0
20 mol 197 unq 2 iso 0 dist 7.70631 9.3055 7.16732 12.7195 8.56633 15.5383 12.0358 6.92924 12.4118 5.41996 numMergedOcc 0
21 mol 197 unq 3 iso 0 dist 7.70631 9.3055 7.16732 12.7195 8.56633 15.5383 7.10431 7.14306 13.1911 6.64537 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 9.35174 9.61492 15.8388 5.68053 4.8668 10.6839 9.13652 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.11505 6.79634 11.6232 11.3225 7.45763 16.0523 5.68053 4.8668 10.6839 5.8535 numMergedOcc 0
24 mol 209 unq 0 iso 0 dist 5.92907 9.17634 10.6456 5.35615 7.56373 13.9599 9.57857 6.85935 16.9869 6.552 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.13226 6.74022 5.29529 10.7073 7.56915 8.52587 8.85159 9.85289 6.88827 6.20558 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.13226 6.74022 5.29529 11.3302 8.49997 11.6126 8.85159 9.85289 6.88827 11.4459 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 9.91518 6.9592 14.3412 12.8387 8.44326 18.2538 11.8916 8.00673 18.3508 4.97614 numMergedOcc 0
