0 mol 68 unq 0 iso 0 dist 6.27321 6.72469 7.71726 9.45647 8.91427 12.1884 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.21813 5.91797 3.92737 10.7165 8.43352 12.2279 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 5.21813 6.37954 3.94967 10.7165 8.43352 8.75597 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 7.35647 9.47287 10.5637 5.23329 8.91311 14.0984 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 5.08086 8.8639 5.75739 11.5035 7.82544 11.2907 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 5.08086 8.8639 5.75739 6.29102 6.18808 11.7477 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 5.08086 7.32009 5.46083 11.5035 7.82544 10.5314 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 5.08086 7.32009 5.46083 6.29102 6.18808 10.2106 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.08299 7.76446 11.5269 9.75179 9.30061 6.99345 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.08299 6.14652 6.93712 9.75179 9.30061 5.11043 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.10556 5.05627 3.98068 4.86119 4.46777 6.77921 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.85675 8.59532 14.2356 6.03671 6.51014 13.5675 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 8.51453 8.03528 15.5457 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 8.76228 7.48065 4.60149 8.51453 8.03528 10.3478 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.76308 8.9388 14.8715 7.72772 5.45675 14.7779 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.0685 9.16579 6.42554 8.49599 7.02575 11.8733 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 6.0685 8.95209 3.87082 8.49599 7.02575 6.07389 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.42329 9.94292 3.93305 5.35986 6.78579 9.14831 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 4.76698 8.19223 12.3914 12.1177 7.99521 20.1811 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 6.63088 7.85414 13.6334 numMergedOcc 0
