0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.86116 6.58998 7.95042 8.60554 6.99746 5.80953 8.52463 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 10.2542 5.30734 9.12845 11.9684 5.66783 6.81793 6.04762 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 9.64443 7.24315 9.36001 9.75237 8.67827 6.59716 13.9524 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.61823 4.3481 6.9223 9.33898 6.08245 7.06939 9.75237 8.67827 6.87506 9.44576 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 6.49956 4.3481 7.0561 9.33898 6.86728 7.06939 9.75237 13.0818 6.87506 9.44576 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 11.3043 8.02554 9.84703 7.94178 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 6.65501 11.2092 4.62494 4.4057 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 11.3043 8.02554 9.84703 15.7178 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 6.65501 11.2092 4.62494 7.42446 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 11.3043 8.02554 9.84703 9.85543 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 6.65501 11.2092 4.62494 9.67482 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 11.3043 8.02554 9.84703 7.28361 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 6.65501 11.2092 4.62494 12.0974 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 11.8312 12.6695 9.05166 12.9739 15.0784 8.72725 5.76986 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 11.438 12.6695 9.05166 10.1861 15.0784 8.72725 5.76986 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 17.8739 14.8901 8.67537 5.13589 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 17.8739 14.8901 8.67537 10.8661 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 17.8739 14.8901 8.67537 12.0175 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 7.25673 4.78563 8.612 5.99315 9.23795 5.37047 7.78652 6.60479 5.06564 6.48978 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 7.25673 4.78563 8.612 5.99315 9.23795 5.37047 8.91301 7.54337 7.5373 5.20762 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 12.8281 5.95519 9.08274 6.35982 7.29587 6.47164 9.275 numMergedOcc 0
21 mol 170 unq 1 iso 0 dist 8.15099 4.78249 5.13268 12.8281 5.95519 9.08274 7.51126 8.73585 9.65126 12.5696 numMergedOcc 0
22 mol 170 unq 2 iso 0 dist 8.15099 4.78249 5.13268 9.76807 7.72147 9.51256 6.35982 7.29587 6.47164 4.34698 numMergedOcc 0
23 mol 170 unq 3 iso 0 dist 8.15099 4.78249 5.13268 9.76807 7.72147 9.51256 7.51126 8.73585 9.65126 5.75144 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 8.57261 9.71636 7.79115 13.353 5.48276 7.88013 7.14503 5.0782 8.66624 8.77113 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 6.61986 4.59567 8.08349 10.0553 10.0385 5.05368 10.7174 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 8.37597 5.13732 8.54702 13.4025 9.48743 9.78218 10.0553 10.0385 5.05368 6.51732 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 7.43071 12.8075 9.18728 6.35849 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 5.41321 4.59123 8.91971 10.9607 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 7.43071 12.8075 9.18728 10.204 numMergedOcc 0
30 mol 227 unq 3 iso 0 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 5.41321 4.59123 8.91971 9.72615 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 10.5136 13.9054 7.15764 12.9597 17.2823 8.09509 6.35641 numMergedOcc 0
32 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 10.5136 7.63376 7.15764 12.9597 12.0545 8.09509 6.35641 numMergedOcc 0
33 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 7.19638 7.63376 7.15764 11.0831 12.0545 8.09509 6.35641 numMergedOcc 0
