0 mol 1 unq 0 iso 0 dist 9.48433 8.3673 4.50502 5.84337 10.488 6.86701 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 4.89563 9.60736 6.91314 11.4242 11.3543 8.85174 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.27448 4.71964 6.8396 6.44262 11.0377 7.6114 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.07927 4.71964 6.10919 6.44262 7.31767 7.6114 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.50987 4.71964 5.86705 6.44262 6.03987 7.6114 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 6.08894 9.79797 6.68648 9.50457 11.1139 9.12226 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 9.02308 9.46119 6.68648 10.4754 11.1139 9.12226 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.36475 5.65006 6.77898 5.27863 12.4242 8.23026 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 8.98848 8.15473 3.55765 10.0436 7.83136 8.19331 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 8.98848 8.15473 3.55765 6.81312 7.0603 8.85711 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.45717 8.25027 4.19723 4.28997 6.82262 7.22643 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 6.91573 9.64785 4.67662 12.444 9.2313 7.81207 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 6.91573 9.64785 4.67662 7.18287 5.31024 6.14151 numMergedOcc 0
13 mol 144 unq 0 iso 0 dist 8.6353 8.85737 8.65006 7.12825 12.8215 7.64028 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.07968 9.72819 9.82834 9.58096 13.2262 9.20104 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.82584 9.06892 6.12236 10.0163 10.7346 6.74196 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.48923 9.69367 6.83765 12.61 10.95 7.27993 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 9.48923 9.69367 6.83765 12.7466 14.473 9.51168 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 9.48923 9.69367 6.83765 6.23286 10.0037 6.95201 numMergedOcc 0
19 mol 229 unq 3 iso 0 dist 9.67544 9.69367 4.61227 12.61 11.6115 7.27993 numMergedOcc 0
20 mol 229 unq 4 iso 0 dist 9.67544 9.69367 4.61227 12.7466 13.9028 9.51168 numMergedOcc 0
21 mol 229 unq 5 iso 0 dist 9.67544 9.69367 4.61227 6.23286 9.87838 6.95201 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 9.39439 7.86214 6.8325 10.8561 15.159 8.51625 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.19458 7.42359 11.8376 13.504 16.5593 8.69318 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 9.45133 7.42359 12.0468 13.504 18.7062 8.69318 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.70852 6.93417 5.8801 9.13047 9.95973 9.07743 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.70852 6.93417 5.8801 5.07898 7.84554 7.66153 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 9.89728 6.93417 11.8896 9.13047 10.3935 9.07743 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 9.89728 6.93417 11.8896 5.07898 7.46176 7.66153 numMergedOcc 0
29 mol 259 unq 4 iso 0 dist 6.42437 6.93417 5.81576 9.13047 12.6839 9.07743 numMergedOcc 0
30 mol 259 unq 5 iso 0 dist 6.42437 6.93417 5.81576 5.07898 9.18903 7.66153 numMergedOcc 0
