0 mol 18 unq 0 iso 0 dist 8.25905 6.82841 5.04478 9.12848 4.49033 6.39307 7.37356 7.04695 5.65084 4.25207 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.50453 12.5287 7.79336 20.9575 14.4774 9.81143 12.9387 5.32981 7.18022 9.84195 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.50453 13.6582 7.08559 20.9575 14.4774 9.78839 12.9387 5.32981 6.24711 9.84195 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 6.74716 7.48264 7.79336 16.602 14.4774 9.81143 10.172 5.32981 7.18022 9.84195 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 6.74716 9.18464 7.08559 16.602 14.4774 9.78839 10.172 5.32981 6.24711 9.84195 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 5.73257 6.65242 8.63635 12.2054 8.19638 9.78839 8.36524 8.90278 6.24711 9.84195 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.85365 6.59976 6.12922 9.83223 6.40435 4.77996 7.42474 6.35364 5.56994 4.34071 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.43229 9.02908 8.0168 14.5797 10.3316 8.42219 13.352 10.7942 6.39384 5.24961 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.43229 9.02908 8.0168 14.5797 10.3316 8.42219 11.172 10.9739 9.42082 11.8122 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.98435 7.97297 7.43401 8.49649 11.5532 8.78303 9.87619 5.3585 9.33094 11.9294 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.98435 7.97297 7.43401 8.49649 11.5532 8.78303 5.79157 6.74887 8.69531 6.36794 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 9.70106 4.33327 7.29911 10.5762 8.63858 7.25009 12.6012 12.8482 8.97626 10.4606 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 6.58245 9.66766 9.27218 8.22331 4.40086 6.0033 6.18446 5.2908 9.10817 7.56497 numMergedOcc 0
13 mol 197 unq 1 iso 0 dist 6.58245 9.66766 9.27218 8.22331 4.40086 6.0033 9.96544 6.23998 6.86828 5.66137 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 5.34745 9.86764 6.01775 7.55878 5.3674 7.1229 13.2954 8.96098 8.51625 6.52848 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 5.34745 9.86764 6.01775 14.9728 9.76593 9.55705 13.2954 8.96098 8.51625 5.51 numMergedOcc 0
16 mol 233 unq 2 iso 0 dist 7.99897 5.17683 6.01775 4.91191 5.3674 7.1229 6.48196 8.96098 8.51625 6.52848 numMergedOcc 0
17 mol 233 unq 3 iso 0 dist 7.99897 5.17683 6.01775 10.3801 9.76593 9.55705 6.48196 8.96098 8.51625 5.51 numMergedOcc 0
18 mol 233 unq 4 iso 0 dist 8.98366 9.7363 6.01775 14.0394 5.3674 7.1229 15.8002 8.96098 8.51625 6.52848 numMergedOcc 0
19 mol 233 unq 5 iso 0 dist 8.98366 9.7363 6.01775 13.7281 9.76593 9.55705 15.8002 8.96098 8.51625 5.51 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.93542 4.3735 9.06937 11.7493 14.6301 8.89714 9.79022 7.00883 6.31969 8.50795 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 8.38395 11.3961 6.66172 10.1112 5.95459 4.97796 12.6182 5.31116 6.4611 4.56913 numMergedOcc 0
