0 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 6.77783 13.2086 9.06516 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 9.90986 7.11305 11.7823 6.73162 9.96121 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.88695 9.63803 8.25132 6.66387 9.16962 5.84066 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 12.8333 10.417 6.61111 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.3164 8.30089 6.35679 5.49138 5.87358 8.38791 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 5.64346 11.6478 8.86037 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.48328 8.42219 8.14031 10.3316 10.7416 8.0168 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.91337 5.90003 6.30721 6.02826 7.39889 6.55202 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.40546 5.90003 10.5082 6.02826 10.5042 6.55202 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 11.5532 11.425 7.43401 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 11.5532 11.2292 7.43401 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 8.63858 11.5473 7.29911 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 4.40049 7.39644 5.36254 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.32451 9.99194 5.27215 4.81145 6.05141 8.69525 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.94315 7.13727 7.06793 13.0115 15.9735 9.84652 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 8.59074 8.56975 7.06793 14.0686 15.9735 9.84652 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.66555 6.96382 6.82305 13.1765 12.1937 7.39547 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 9.66555 6.96382 6.82305 8.92175 7.49471 7.24334 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 4.09442 8.37865 6.23661 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 5.95459 9.19234 6.66172 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.52894 4.97796 13.0867 5.95459 14.3124 6.66172 numMergedOcc 0
