0 mol 17 unq 0 iso 0 dist 9.84612 5.57445 9.78918 14.3956 16.603 9.54285 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.61335 12.6609 7.96312 10.2499 6.25033 9.48375 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.61335 8.34493 7.67129 10.2499 6.25033 6.85127 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 8.70783 12.8097 8.54555 8.14002 4.91428 9.1487 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.86118 7.75281 6.07108 9.81216 7.26324 6.57749 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 7.64681 7.67811 9.46568 12.297 8.73932 9.21945 numMergedOcc 0
6 mol 96 unq 1 iso 0 dist 7.64681 7.67811 9.46568 8.09839 5.03448 5.5851 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 8.48638 12.0088 9.2062 16.5727 10.5803 6.37194 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.75179 7.32598 7.81731 11.1772 5.84237 7.82151 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.29394 7.04318 9.52442 11.8238 6.03683 9.01131 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 5.98534 5.76997 9.52442 8.40076 6.03683 9.01131 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 7.91633 12.9486 7.46919 15.0422 8.40891 8.60157 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 8.94451 12.9486 8.24581 15.0422 11.7674 8.60157 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.11909 13.33 7.36989 15.0749 8.32178 8.59359 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 9.21219 13.33 8.17805 15.0749 11.7699 8.59359 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.96031 10.5408 9.2802 12.6216 10.2789 8.74666 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 5.64003 7.33309 7.37823 6.9134 5.27811 5.99974 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 9.86987 15.2564 7.15093 7.83577 5.22125 9.10712 numMergedOcc 0
18 mol 272 unq 1 iso 0 dist 9.88921 8.8375 7.15093 6.63595 5.22125 9.10712 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 8.31165 9.05496 8.30195 11.1878 3.5882 9.48559 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 9.95662 10.1082 4.87349 6.36106 8.51351 5.62295 numMergedOcc 0
