0 mol 63 unq 0 iso 0 dist 9.87719 5.9644 4.97423 11.2919 12.8872 9.16658 13.6051 14.2739 10.9414 9.35912 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.09199 7.81334 9.19822 7.08972 11.9492 4.66377 12.3287 13.8312 5.00699 6.98862 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 4.99966 9.7171 6.29991 4.36597 7.55805 9.39702 6.67575 6.35372 8.20815 7.57822 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.53905 7.98999 11.7428 14.3349 17.9516 7.35503 15.8105 18.8242 7.99528 7.02969 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 7.53905 7.98999 11.7428 15.4161 20.2941 8.79543 15.8105 18.8242 7.99528 7.02265 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 7.53905 7.98999 11.7428 9.87475 15.8477 6.48223 15.8105 18.8242 7.99528 9.42175 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 7.15985 7.98999 3.98564 14.3349 11.0565 7.35503 15.8105 9.60908 7.99528 7.02969 numMergedOcc 0
7 mol 112 unq 4 iso 0 dist 7.15985 7.98999 3.98564 15.4161 11.6825 8.79543 15.8105 9.60908 7.99528 7.02265 numMergedOcc 0
8 mol 112 unq 5 iso 0 dist 7.15985 7.98999 3.98564 9.87475 5.81552 6.48223 15.8105 9.60908 7.99528 9.42175 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.49877 7.39532 5.97111 7.43279 9.05626 4.85559 11.9351 9.97628 4.79695 7.9663 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 5.49877 7.39532 5.97111 10.9627 12.173 6.87562 11.9351 9.97628 4.79695 6.54338 numMergedOcc 0
11 mol 130 unq 2 iso 0 dist 5.49877 7.39532 5.97111 10.9627 12.173 6.87562 15.4338 13.2043 8.11667 9.39135 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.07091 7.68295 5.487 5.24208 6.01711 6.81707 10.111 5.53673 10.6959 9.47945 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.80299 9.47421 14.9475 14.9776 19.6048 8.74308 21.7473 23.8664 16.45 9.08767 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 7.0843 5.72444 6.90702 5.7173 12.1227 8.23919 6.2441 9.92743 5.18278 8.44004 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 7.73315 5.72444 10.4526 5.7173 13.0264 8.23919 6.2441 12.0573 5.18278 8.44004 numMergedOcc 0
16 mol 218 unq 2 iso 0 dist 6.9398 5.72444 8.94041 5.7173 12.5172 8.23919 6.2441 8.31343 5.18278 8.44004 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 8.39644 8.38382 14.7239 6.58237 14.7507 5.0953 10.8011 15.4745 4.20853 8.65339 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.59986 9.39659 7.05373 5.57126 10.0438 9.54884 13.2523 10.2159 9.00495 9.56469 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.59986 8.25445 7.26083 6.31111 7.72749 7.25797 13.2523 10.2159 5.75478 9.58577 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 8.59986 8.25445 7.26083 5.57126 10.0438 6.03938 13.2523 10.2159 5.75478 9.56469 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.71801 9.89698 10.0584 16.839 18.1197 9.4626 11.8069 15.9759 7.47773 6.12202 numMergedOcc 0
