0 mol 4 unq 0 iso 0 dist 8.19615 5.41335 6.04705 11.5881 7.12033 6.3317 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.76702 4.11115 8.89145 10.9135 11.4855 9.31461 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.27477 4.11115 6.92865 10.9135 5.96331 9.31461 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 7.06199 10.2834 8.52254 8.98545 3.53534 7.53194 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 8.72463 12.8171 7.5984 7.99127 6.75249 5.33772 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 6.7319 5.10341 8.11202 8.19373 7.02542 9.12935 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 4.93984 4.72853 8.58946 7.33483 6.13061 8.43955 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 15.6349 12.5746 8.06007 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 7.92766 3.96829 7.7292 7.8518 6.49075 6.46946 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 6.32652 3.96829 6.27396 7.8518 8.62057 6.46946 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 8.59262 5.2696 7.10166 11.9973 3.56132 9.58346 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 8.59262 15.5823 9.66896 11.9973 3.56132 9.60549 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 8.3035 10.8341 9.4835 6.03628 4.15355 9.46274 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 9.01896 9.47512 9.4835 10.0467 4.15355 9.46274 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 9.55587 8.23649 5.10683 8.92812 5.62746 7.94351 numMergedOcc 0
15 mol 217 unq 1 iso 0 dist 9.38111 7.25518 5.10683 11.0382 5.62746 7.94351 numMergedOcc 0
16 mol 217 unq 2 iso 0 dist 8.28941 6.94126 5.10683 10.9779 5.62746 7.94351 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.17766 6.17101 9.98232 10.0247 8.58535 8.37596 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 9.84965 14.1831 9.98232 15.39 8.58535 8.37596 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 8.49673 11.2835 9.26156 12.8153 9.65344 9.2554 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 5.76077 9.07394 8.53729 8.86676 9.46115 6.93942 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 5.76077 9.07394 8.53729 10.9433 10.3603 9.05161 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 5.76077 11.6981 8.07341 8.86676 9.46115 9.31626 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 5.76077 11.6981 8.07341 10.9433 10.3603 9.77366 numMergedOcc 0
24 mol 253 unq 4 iso 0 dist 7.0247 14.7046 8.53729 14.0165 9.46115 6.93942 numMergedOcc 0
25 mol 253 unq 5 iso 0 dist 7.0247 14.7046 8.53729 13.3812 10.3603 9.05161 numMergedOcc 0
26 mol 253 unq 6 iso 0 dist 7.0247 12.0836 8.07341 14.0165 9.46115 9.31626 numMergedOcc 0
27 mol 253 unq 7 iso 0 dist 7.0247 12.0836 8.07341 13.3812 10.3603 9.77366 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 4.96568 11.7587 7.54805 9.19805 5.94366 6.18698 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.27588 11.574 7.72749 15.3466 7.64118 9.32456 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 7.18433 11.764 7.34344 18.218 12.4957 8.2236 numMergedOcc 0
31 mol 284 unq 1 iso 0 dist 9.26573 16.3452 8.08993 20.1449 14.4667 8.2236 numMergedOcc 0
