0 mol 11 unq 0 iso 0 dist 7.91082 8.92262 6.56599 10.638 5.19841 5.43238 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 5.66803 10.0913 7.77991 14.3346 9.19912 8.06829 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 5.66803 5.68492 5.1488 8.61926 4.56868 8.4517 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 8.85416 8.21081 7.77991 10.2533 9.19912 8.06829 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 8.85416 11.6323 5.1488 11.9691 4.56868 8.4517 numMergedOcc 0
5 mol 64 unq 4 iso 0 dist 8.52643 11.5903 7.7933 11.4891 4.97497 8.4517 numMergedOcc 0
6 mol 64 unq 5 iso 0 dist 5.41357 6.10515 7.7933 8.64746 4.97497 8.4517 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.54778 5.84883 6.06039 14.7982 13.312 9.86739 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 6.54778 5.84883 6.06039 10.2505 10.7702 8.39249 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 6.54778 5.84883 6.06039 10.6522 5.06074 8.93623 numMergedOcc 0
10 mol 114 unq 3 iso 0 dist 8.57909 6.14032 6.06039 14.7039 13.312 9.86739 numMergedOcc 0
11 mol 114 unq 4 iso 0 dist 8.57909 6.14032 6.06039 14.5169 10.7702 8.39249 numMergedOcc 0
12 mol 114 unq 5 iso 0 dist 8.57909 6.14032 6.06039 12.7445 5.06074 8.93623 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.67726 7.81164 9.12189 13.5695 8.09964 7.49546 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 8.94921 11.703 5.8277 12.9329 6.57826 7.49546 numMergedOcc 0
15 mol 140 unq 2 iso 0 dist 7.77669 7.81164 5.8277 13.5695 6.57826 7.49546 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 6.62514 10.239 6.35305 13.6203 9.31022 5.89018 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.20044 5.64245 6.35305 11.354 9.31022 5.89018 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 8.41232 5.64245 9.23348 11.354 11.6466 5.89018 numMergedOcc 0
19 mol 204 unq 3 iso 0 dist 9.41996 8.90839 6.35305 10.0558 9.31022 5.89018 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.03925 11.3098 7.26162 10.7896 4.60179 4.55996 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 6.23677 6.78713 9.89345 8.76325 4.76056 8.89778 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 6.23677 6.78713 9.89345 12.0468 10.7068 9.47554 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 9.04741 10.2748 9.89345 12.4794 4.76056 8.89778 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 9.04741 10.2748 9.89345 17.0348 10.7068 9.47554 numMergedOcc 0
25 mol 224 unq 5 iso 0 dist 7.31608 7.09867 9.89345 8.85101 4.76056 8.89778 numMergedOcc 0
26 mol 224 unq 6 iso 0 dist 7.31608 7.09867 9.89345 13.64 10.7068 9.47554 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.46734 9.64214 8.64747 12.8792 10.9732 6.34801 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 8.86185 7.57139 6.98781 4.57548 4.81796 7.25543 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 4.64178 10.8902 8.75924 15.437 12.6574 9.1101 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 4.64178 10.8902 8.75924 18.4051 14.7341 8.93338 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 9.16988 5.83664 8.75924 14.5547 12.6574 9.1101 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 9.16988 5.83664 8.75924 12.3582 14.7341 8.93338 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 7.89067 11.0863 9.45903 10.0527 4.82553 8.86638 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 7.89067 9.98799 8.51531 10.0527 4.82553 5.94383 numMergedOcc 0
35 mol 250 unq 2 iso 0 dist 7.89067 9.98799 8.51531 14.9506 11.4033 7.88284 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 9.86267 5.92281 9.60653 9.44826 3.83813 7.4363 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 9.98886 10.1569 5.98155 12.5941 5.36361 6.73692 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 6.81887 4.54514 5.98155 9.30114 5.36361 6.73692 numMergedOcc 0
