0 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 9.33642 5.93193 9.9648 9.01612 5.35073 8.63333 9.07666 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 4.88613 9.80755 8.89374 9.33642 5.93193 9.9648 10.3132 8.62958 6.46761 5.72191 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 4.88613 9.80755 8.89374 9.33642 5.93193 9.9648 16.5848 14.176 9.73139 10.3384 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.99491 6.84612 8.68586 9.82294 5.9853 5.1488 13.8335 10.6748 9.54144 6.43864 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 12.2402 4.60412 6.96647 14.7651 7.4697 8.70133 4.78435 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.2377 12.6436 5.64598 12.2402 4.60412 6.96647 12.864 5.7113 4.65521 6.33833 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.18305 4.31731 4.65521 10.7883 6.33833 6.96647 11.0671 5.4148 8.70133 4.78435 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.18305 4.31731 4.65521 10.7883 6.33833 6.96647 9.43662 5.7113 5.64598 4.60412 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 6.95595 8.91765 5.15851 9.01568 4.95201 9.24433 14.747 9.02771 6.33365 11.278 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.44713 9.39191 8.68821 17.2913 12.8158 9.33819 14.3625 8.66412 7.12609 4.26125 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 8.32241 4.56139 7.75534 13.0491 12.3787 8.62574 11.9998 7.12167 9.06011 10.0564 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 5.49877 4.72188 8.74308 5.74058 5.21262 8.28884 9.72083 7.50049 9.12581 8.22558 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 4.44292 6.61119 7.70572 9.22494 5.88096 9.18489 10.449 7.01918 8.65888 5.4783 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 5.83071 9.81014 9.93083 9.34187 6.89601 8.55287 10.342 6.64382 7.01383 8.16006 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 11.4007 10.8978 9.94653 12.1893 4.96364 9.62952 10.9318 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.70279 6.17401 7.07392 11.9289 10.4487 7.97572 12.1893 4.96364 9.62952 9.66136 numMergedOcc 0
