0 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 11.7823 6.73162 9.96121 14.3129 10.2542 9.12845 6.10146 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 13.2281 9.49449 10.9283 9.42791 12.4242 8.23026 12.1847 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.69069 9.70292 7.26851 4.41983 8.67367 10.8228 5.69671 11.659 8.57395 8.91447 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 8.69069 9.59704 9.13016 4.41983 8.67367 13.0863 5.69671 11.659 9.85409 8.91447 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 5.49138 5.87358 9.74008 14.8479 13.1098 9.89083 15.054 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 8.3164 9.94704 5.00433 5.49138 5.87358 9.74008 11.5656 8.69985 8.52024 9.46098 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 9.81097 8.66155 13.0432 5.28901 7.30858 6.04595 11.3902 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 6.53156 6.89257 10.1252 3.96103 8.70949 6.93139 8.84655 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 5.49877 5.82945 4.97996 4.72188 8.74308 10.5067 3.96103 8.70949 6.93139 6.76754 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 10.2625 8.79571 11.7151 11.9294 8.94367 9.33094 5.41704 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 10.2625 8.79571 11.7151 6.36794 9.86662 8.69531 6.17103 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 4.40049 7.39644 5.36254 10.4606 10.7829 8.97626 8.27726 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 6.61119 7.70572 12.6321 10.4606 10.7829 8.97626 11.1591 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 7.90095 6.87664 10.8888 6.31508 10.103 6.99769 12.6949 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 7.90095 6.87664 10.8888 5.72088 6.57273 8.79428 7.12232 numMergedOcc 0
15 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 7.90095 6.87664 10.8888 6.51315 5.78342 6.8692 5.3621 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 4.09442 8.37865 6.23661 5.41945 11.858 5.85442 5.79468 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 4.09442 8.37865 6.23661 5.59901 5.30224 6.9899 5.31048 numMergedOcc 0
18 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 4.09442 8.37865 9.43105 12.1767 15.9169 9.46361 11.6195 numMergedOcc 0
19 mol 259 unq 3 iso 0 dist 9.12507 7.72489 9.71793 4.09442 8.37865 9.43105 5.41945 11.858 6.95511 5.79468 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 5.95459 9.19234 6.66172 4.56913 10.7806 6.4611 5.31116 numMergedOcc 0
