0 mol 18 unq 0 iso 0 dist 6.39307 4.49033 5.04478 11.7139 6.11048 8.52106 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39307 4.49033 5.04478 9.38772 4.52259 6.32451 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.63803 6.66387 5.84066 14.5062 5.56139 8.82012 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.63803 6.66387 5.84066 6.88695 8.25132 9.16962 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.90986 11.7823 9.96121 9.7522 7.11305 6.73162 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 10.9434 9.11842 9.77484 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 11.5838 12.466 9.20119 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 9.62411 5.35972 5.64432 10.3433 5.95511 6.91734 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 7.31989 5.77806 5.64432 11.7189 5.95511 6.91734 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 7.32064 10.1263 5.47706 11.3374 4.77202 8.30646 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 4.62314 6.88255 5.47706 9.31978 4.77202 8.30646 numMergedOcc 0
11 mol 78 unq 2 iso 0 dist 5.85007 10.1263 8.07568 11.3374 11.8801 8.30646 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 6.35234 6.88255 8.07568 9.31978 11.8801 8.30646 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.30089 5.49138 8.38791 8.3164 6.35679 5.87358 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.30089 5.49138 8.38791 11.4135 4.94189 9.20981 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.42219 10.3316 8.0168 12.5192 6.63111 7.76729 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 7.91337 6.30721 7.39889 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 5.90003 6.02826 6.55202 11.7745 6.9194 9.63176 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 5.90003 6.02826 6.55202 13.3911 12.4621 7.44174 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 9.13697 5.90631 5.52149 13.3013 11.5407 8.94837 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.13697 5.90631 5.52149 13.0519 5.91192 7.77454 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 7.25009 8.63858 7.29911 10.6076 4.91785 9.38946 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 7.25009 4.40049 5.36254 4.44292 7.10286 7.39644 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 7.25009 4.40049 5.36254 10.6076 4.91785 7.36102 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 6.0033 4.40086 9.27218 11.8137 17.0276 8.99696 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 9.96308 4.1511 8.17891 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.79884 4.18393 7.79951 9.95674 4.69247 6.95902 numMergedOcc 0
27 mol 233 unq 0 iso 0 dist 8.7831 5.3674 8.24424 12.7167 8.59528 9.43203 numMergedOcc 0
28 mol 233 unq 1 iso 0 dist 9.61071 5.3674 7.0942 12.7167 5.43315 9.43203 numMergedOcc 0
29 mol 233 unq 2 iso 0 dist 7.1229 5.3674 6.01775 12.7167 6.8325 9.43203 numMergedOcc 0
30 mol 233 unq 3 iso 0 dist 9.55705 9.76593 6.01775 14.8491 6.8325 9.43203 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.99194 4.81145 8.69525 9.32451 5.27215 6.05141 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 9.99194 4.81145 8.69525 11.5933 6.13368 8.09066 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.99194 4.81145 8.69525 10.7555 10.0605 7.2766 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 6.96382 13.1765 7.39547 11.6545 5.71717 7.67322 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 6.96382 8.92175 7.24334 9.66555 6.82305 7.49471 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 6.96382 8.92175 7.24334 11.6545 5.71717 7.19008 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 4.95855 4.09442 6.23661 9.12507 7.09907 8.37865 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 4.97796 5.95459 6.66172 6.55855 8.87855 9.19234 numMergedOcc 0
