0 mol 7 unq 0 iso 0 dist 9.49232 8.75465 12.0608 15.7777 9.4095 15.1272 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.49232 8.00249 14.8119 15.7777 9.4095 18.8251 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 5.99463 7.84956 5.80449 4.84407 7.923 11.5834 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 5.99463 8.57607 12.9542 4.84407 7.923 12.0576 numMergedOcc 0
4 mol 95 unq 2 iso 0 dist 5.99463 6.1991 10.665 4.84407 7.923 10.4457 numMergedOcc 0
5 mol 95 unq 3 iso 0 dist 5.99463 5.96246 5.91949 4.84407 7.923 9.70292 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.54996 5.05627 12.017 12.6004 6.52227 16.6619 numMergedOcc 0
7 mol 188 unq 0 iso 0 dist 6.43097 8.01604 6.96531 4.37168 9.26108 7.6482 numMergedOcc 0
8 mol 188 unq 1 iso 0 dist 6.43097 9.07006 8.54685 4.37168 9.26108 9.30803 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 8.10951 5.06367 6.04052 4.30951 7.91956 7.85801 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 7.41627 8.13526 4.92048 5.09497 9.27706 6.90791 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.05137 7.59666 7.12863 10.7235 8.26132 11.7419 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 9.05137 6.51936 11.8793 10.7235 8.26132 15.3326 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.61758 6.28826 11.6354 4.77722 6.99667 10.3814 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 5.45548 6.28826 6.3054 4.77722 6.22499 10.3814 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 8.99521 8.34875 9.93335 8.63134 6.54042 12.6825 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 5.68392 9.00218 6.23677 3.73772 8.69185 10.1271 numMergedOcc 0
17 mol 233 unq 1 iso 0 dist 5.68392 6.0751 6.50689 3.73772 8.69185 5.76164 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 7.89041 5.9625 4.76073 5.05085 9.56736 9.94117 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.76413 7.48212 4.54051 4.56764 9.22345 5.72473 numMergedOcc 0
