0 mol 26 unq 0 iso 0 dist 9.63803 6.66387 5.84066 6.88695 8.25132 9.16962 5.3315 13.6027 11.887 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.90986 11.7823 9.96121 9.7522 7.11305 6.73162 15.0931 14.8317 7.23546 8.34347 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 11.5838 12.466 9.20119 10.2624 12.457 6.89191 7.58835 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 8.30089 5.49138 8.38791 8.3164 6.35679 5.87358 11.5656 14.6042 9.46098 8.69985 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.42219 10.3316 8.0168 12.5192 6.63111 7.76729 5.24961 6.39384 10.7942 9.33865 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.42219 10.3316 8.0168 12.5192 6.63111 7.76729 11.8122 9.42082 10.9739 5.83991 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 11.7745 6.9194 9.63176 13.6062 12.31 10.6679 8.73993 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 5.90003 6.02826 6.55202 13.3911 12.4621 7.44174 10.8613 11.2897 7.36192 9.87172 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 7.25009 8.63858 7.29911 10.6076 4.91785 9.38946 10.4606 8.97626 12.8482 6.43582 numMergedOcc 0
9 mol 155 unq 1 iso 0 dist 7.25009 4.40049 5.36254 10.6076 4.91785 7.36102 10.4606 8.97626 8.27726 6.43582 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 6.0033 4.40086 9.27218 11.8137 17.0276 8.99696 9.97106 12.8171 9.82139 8.56633 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 9.96308 4.1511 8.17891 9.04956 9.91384 6.43754 7.22101 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 8.79884 4.18393 7.79951 9.96308 4.1511 8.17891 10.1896 10.3016 9.13836 7.09863 numMergedOcc 0
13 mol 227 unq 2 iso 0 dist 8.79884 4.18393 7.79951 9.95674 4.69247 6.95902 9.04956 9.91384 6.43754 8.65997 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 6.96382 13.1765 7.39547 11.6545 5.71717 7.67322 12.2428 10.1172 12.6986 7.31233 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 6.96382 8.92175 7.24334 9.66555 6.82305 7.49471 12.2428 10.1172 5.17471 6.22714 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 6.96382 8.92175 7.24334 11.6545 5.71717 7.19008 12.2428 10.1172 5.17471 7.31233 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 12.1767 10.3406 11.6195 7.88519 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 12.8636 12.8546 11.8736 7.84554 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 5.41945 5.85442 5.79468 7.46176 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 14.4131 16.0301 12.6649 9.18903 numMergedOcc 0
21 mol 259 unq 4 iso 0 dist 4.95855 4.09442 6.23661 9.12507 7.09907 8.37865 5.59901 6.9899 5.31048 5.30224 numMergedOcc 0
