0 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 13.7923 5.97304 7.56164 6.60423 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 9.75994 9.36158 13.7717 6.90155 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 9.75994 10.1525 13.7717 6.90155 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 7.70026 8.01537 6.68648 13.9113 7.34143 10.3447 19.9253 12.277 16.6002 9.66501 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 13.7941 11.8512 10.5056 9.00544 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 12.3707 9.52882 12.068 7.12017 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 13.7941 14.9392 10.5056 9.00544 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 12.3707 12.6602 12.068 7.12017 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 10.4602 4.91132 6.71103 8.56342 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 11.794 6.08167 12.4868 6.37542 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 10.4602 4.91132 17.1071 8.56342 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 11.794 6.08167 16.2883 6.37542 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 10.4602 4.91132 14.483 8.56342 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 11.794 6.08167 11.5122 6.37542 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 12.3218 6.67948 11.6694 8.03372 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 13.971 12.6057 9.38687 9.17106 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 8.8557 8.3932 4.17276 5.65373 8.22528 10.3243 11.5087 11.6847 13.6257 8.92743 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 5.00457 8.3932 4.92403 5.65373 7.03423 10.3243 11.5087 9.62106 13.6257 8.92743 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 4.87108 5.41453 6.82305 7.45873 6.22714 10.1172 11.1268 10.216 11.4389 5.64181 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 11.1268 7.83352 11.4389 5.64181 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.44862 5.8804 8.74421 10.4505 6.97229 9.17612 13.7957 11.6066 8.82141 8.15467 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 8.30744 7.31951 4.67584 8.59697 numMergedOcc 0
