0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 4.49033 5.04478 7.04695 11.7139 6.11048 11.103 8.52106 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39307 4.25207 5.65084 4.49033 5.04478 7.04695 9.38772 4.52259 9.94539 6.32451 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 11.7823 9.96121 6.10146 9.7522 7.11305 10.2542 6.73162 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.69574 5.68664 5.94756 6.13812 5.81001 7.39653 11.5838 12.466 15.0348 9.20119 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 10.1263 5.47706 4.92509 11.3374 4.77202 11.3054 8.30646 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 7.32064 13.1649 8.65848 10.1263 5.47706 5.22036 11.3374 4.77202 11.2771 8.30646 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 4.62314 4.4651 6.85523 6.88255 5.47706 4.92509 9.31978 4.77202 11.3054 8.30646 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 4.62314 9.31889 8.65848 6.88255 5.47706 5.22036 9.31978 4.77202 11.2771 8.30646 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.85007 7.17843 5.77326 10.1263 8.07568 4.92509 11.3374 11.8801 11.3054 8.30646 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 6.35234 4.4651 5.77326 6.88255 8.07568 4.92509 9.31978 11.8801 11.3054 8.30646 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 10.3316 8.0168 10.7942 12.5192 6.63111 9.33865 7.76729 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 10.3316 8.0168 10.9739 12.5192 6.63111 5.83991 7.76729 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 8.63858 7.29911 12.8482 10.6076 4.91785 6.43582 9.38946 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 4.40049 5.36254 8.27726 4.44292 7.10286 10.7829 7.39644 numMergedOcc 0
14 mol 155 unq 2 iso 0 dist 7.25009 10.4606 8.97626 4.40049 5.36254 8.27726 10.6076 4.91785 6.43582 7.36102 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.0033 7.56497 9.10817 4.40086 9.27218 5.2908 11.8137 17.0276 11.6759 8.99696 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 6.0033 5.66137 6.86828 4.40086 9.27218 6.23998 11.8137 17.0276 11.3819 8.99696 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 7.1229 6.52848 8.51625 5.3674 6.01775 8.96098 12.7167 6.8325 15.159 9.43203 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 9.55705 5.51 8.51625 9.76593 6.01775 8.96098 14.8491 6.8325 15.159 9.43203 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 4.09442 6.23661 5.79468 10.5892 10.067 7.46176 7.48005 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 4.95855 5.41945 5.85442 4.09442 6.23661 5.79468 9.12507 7.09907 11.858 8.37865 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 4.95855 5.59901 6.9899 4.09442 6.23661 5.31048 10.5892 10.067 12.0576 7.48005 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 4.95855 5.59901 6.9899 4.09442 6.23661 5.31048 9.12507 7.09907 5.30224 8.37865 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 5.95459 6.66172 5.31116 6.55855 8.87855 10.7806 9.19234 numMergedOcc 0
