0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 16.4903 9.19007 9.64573 4.16512 6.91778 9.15528 14.0232 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79297 11.7303 7.65806 13.9134 9.56794 6.05328 4.16512 6.91778 9.15528 10.1804 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 6.49868 7.88043 10.2446 5.26458 5.99972 12.0193 7.25346 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.20552 15.1647 8.41585 8.07954 8.80762 12.3097 5.26458 5.99972 12.0193 10.0658 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 10.812 6.90155 9.36158 6.84017 6.16347 9.34396 11.0508 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 10.812 6.90155 9.36158 15.5398 7.92503 6.11127 6.61233 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.94828 15.6642 7.17969 10.812 6.90155 10.1525 6.84017 6.16347 10.8498 11.0508 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.94828 15.6642 7.17969 10.812 6.90155 10.1525 15.5398 7.92503 5.30154 6.61233 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 5.90298 7.26086 7.32662 15.5475 6.65501 4.4057 11.2092 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 5.90298 7.26086 13.4985 15.5475 6.65501 7.42446 11.2092 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 5.90298 7.26086 6.934 15.5475 6.65501 9.67482 11.2092 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 8.8736 7.26086 7.32662 13.2316 6.65501 4.4057 11.2092 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 8.8736 7.26086 13.4985 13.2316 6.65501 7.42446 11.2092 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 8.8736 7.26086 6.934 13.2316 6.65501 9.67482 11.2092 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 12.3653 5.34214 9.14441 5.26309 7.80523 7.74599 10.8469 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 5.55157 5.34214 9.14441 11.4333 7.80523 7.74599 10.8469 numMergedOcc 0
16 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 3.56506 5.34214 9.14441 14.0908 7.80523 7.74599 10.8469 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 6.51881 6.34525 11.128 8.84017 6.84011 7.436 8.51024 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 4.9155 9.30817 6.54501 7.07077 5.53031 5.35679 6.64576 7.80532 7.41674 8.98004 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 4.9155 10.879 6.49416 7.07077 5.53031 8.46636 6.64576 7.80532 9.87376 8.98004 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.49987 6.47843 6.54501 5.92316 5.53031 5.35679 5.54455 7.80532 7.41674 8.98004 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 8.49987 10.9399 6.49416 5.92316 5.53031 8.46636 5.54455 7.80532 9.87376 8.98004 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.42271 6.16353 6.54501 10.7289 5.53031 5.35679 5.87436 7.80532 7.41674 8.98004 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 9.42271 7.07625 6.49416 10.7289 5.53031 8.46636 5.87436 7.80532 9.87376 8.98004 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 6.2749 7.20574 8.90184 10.0244 8.73217 11.7429 11.8992 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 5.35708 5.37446 9.59996 5.06328 7.10826 5.87279 7.1777 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 14.1473 7.83711 8.25884 5.70548 9.05071 8.80479 13.8622 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 12.9095 9.56685 5.90436 8.85159 9.85289 6.20558 5.36428 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 9.13226 10.7073 7.56915 16.3353 8.49922 9.27829 8.85159 9.85289 6.20558 11.9754 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 9.13226 11.3302 8.49997 12.9095 9.56685 12.106 8.85159 9.85289 11.4459 5.36428 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 9.13226 11.3302 8.49997 16.3353 8.49922 12.9674 8.85159 9.85289 11.4459 11.9754 numMergedOcc 0
