0 mol 16 unq 0 iso 0 dist 7.979 9.05346 12.0005 5.96976 5.36911 11.7521 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 7.10635 6.0961 6.26099 12.0084 9.18836 6.73801 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 7.10635 6.0961 6.26099 4.08339 6.07294 6.42834 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.65672 8.84323 6.03786 13.5485 9.79863 13.152 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 5.70192 13.1761 12.2427 9.42982 17.6606 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.34804 5.70192 13.1761 7.29309 8.17929 11.5264 numMergedOcc 0
6 mol 67 unq 2 iso 0 dist 8.34804 5.70192 13.1761 4.31746 5.63802 9.0008 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.68781 9.28803 5.74801 4.22631 7.74901 10.9165 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.01516 9.07582 5.79235 4.05986 7.99438 9.87027 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 8.01516 9.07582 5.79235 4.91535 6.64915 5.9249 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 5.74637 5.82918 8.71166 8.09473 7.01545 13.5995 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 7.40577 6.96057 4.8628 3.88006 4.86767 6.51395 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 7.40577 9.78437 12.5418 3.88006 4.86767 9.52562 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.56386 6.7201 7.32307 12.3975 9.04549 15.3016 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 9.48667 9.77771 7.14836 6.27901 8.68292 6.50043 numMergedOcc 0
15 mol 155 unq 0 iso 0 dist 5.16143 8.02593 7.00069 5.29099 9.83653 12.5009 numMergedOcc 0
16 mol 155 unq 1 iso 0 dist 8.08392 7.50392 5.49358 15.0233 9.83653 14.7339 numMergedOcc 0
17 mol 155 unq 2 iso 0 dist 8.08392 8.77391 7.00069 15.0233 9.83653 12.5009 numMergedOcc 0
18 mol 174 unq 0 iso 0 dist 4.77805 8.3622 6.26251 4.01137 5.07761 7.47932 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.78329 7.77951 5.17887 8.97694 9.62583 11.2383 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 8.40674 9.76925 12.9672 10.7268 6.29945 14.7861 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 5.76796 8.96754 8.9423 4.39355 6.46935 12.9257 numMergedOcc 0
