0 mol 15 unq 0 iso 0 dist 4.89563 6.66625 9.29358 7.38118 8.4014 11.1793 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.88829 5.91961 8.68559 3.24351 8.91596 4.84198 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.52979 13.1241 7.18176 10.7036 6.22221 6.35905 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 7.09258 6.65814 9.02278 10.7286 6.62699 7.82564 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.28058 10.6264 7.13087 10.273 8.62079 15.7104 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 6.97244 11.7596 7.20326 11.3762 7.78789 6.69019 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 6.97244 11.7596 7.20326 10.2106 7.42146 4.18875 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.44766 8.49634 6.91348 9.62739 8.80895 6.25029 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.44766 5.0492 9.51418 9.62739 8.80895 13.4297 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.11046 12.3238 8.33261 5.76262 6.73617 6.60281 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 9.11046 12.3238 8.33261 4.09924 9.03544 9.65163 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.96375 10.0732 7.90031 11.0465 9.76973 8.56728 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 7.96375 5.75622 7.21533 11.0465 9.76973 6.76174 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 9.95084 4.99098 8.53199 3.90895 7.84952 6.19774 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.81925 4.95108 6.82208 4.73685 5.1609 3.72064 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 5.40961 11.018 6.83797 7.13208 7.52531 7.5936 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 8.74174 12.854 6.83797 6.95297 7.52531 7.5936 numMergedOcc 0
17 mol 241 unq 2 iso 0 dist 5.57621 8.63376 6.83797 8.09397 7.52531 7.5936 numMergedOcc 0
18 mol 241 unq 3 iso 0 dist 8.28853 5.64355 6.83797 6.13288 7.52531 7.5936 numMergedOcc 0
19 mol 241 unq 4 iso 0 dist 8.71739 4.56995 6.83797 5.13491 7.52531 7.5936 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 6.50405 5.02339 7.14834 8.74714 9.6834 4.46167 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.14812 4.7348 6.49982 6.55101 8.03012 6.93346 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.86014 6.60083 9.41725 9.69757 4.9764 13.6468 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.86014 6.60083 9.41725 10.2113 6.36559 13.3297 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 5.97073 10.5543 9.41725 7.55695 4.9764 13.6468 numMergedOcc 0
25 mol 277 unq 3 iso 0 dist 5.97073 10.5543 9.41725 6.26644 6.36559 13.3297 numMergedOcc 0
26 mol 277 unq 4 iso 0 dist 6.49176 14.6973 9.41725 5.00704 4.9764 13.6468 numMergedOcc 0
27 mol 277 unq 5 iso 0 dist 6.49176 14.6973 9.41725 5.23954 6.36559 13.3297 numMergedOcc 0
