0 mol 10 unq 0 iso 0 dist 9.09758 10.1803 9.88507 12.8363 6.61479 8.03458 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.1301 9.11059 9.52857 13.9411 13.5603 6.6051 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.1301 9.11059 9.52857 9.97958 4.40652 8.15864 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 8.01372 6.32851 6.6691 12.1184 7.81704 6.6051 numMergedOcc 0
4 mol 12 unq 3 iso 0 dist 8.01372 6.32851 6.6691 13.0992 12.0704 8.15864 numMergedOcc 0
5 mol 12 unq 4 iso 0 dist 9.57429 6.32851 9.23807 12.1184 11.1322 6.6051 numMergedOcc 0
6 mol 12 unq 5 iso 0 dist 9.57429 6.32851 9.23807 13.0992 12.4138 8.15864 numMergedOcc 0
7 mol 15 unq 0 iso 0 dist 5.94245 9.36663 8.3794 16.1037 11.9755 9.05123 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 8.41903 4.58881 9.8482 10.2012 6.29569 8.74487 numMergedOcc 0
9 mol 33 unq 1 iso 0 dist 8.41903 4.58881 9.8482 11.7282 13.6327 7.44828 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 6.9297 4.82573 5.33546 7.78105 5.37898 8.61089 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 6.9297 4.82573 5.33546 13.2324 8.69896 8.64686 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 4.86532 4.4056 7.12701 8.01351 12.671 8.91354 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.29523 5.30543 6.78887 10.2396 5.19485 5.32865 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.94488 4.0331 6.69487 8.6903 7.46548 9.38856 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.57117 11.1214 8.14859 17.2204 13.2917 6.2016 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 9.9312 11.1214 5.62421 17.2204 10.3343 6.2016 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 9.3437 6.01671 9.854 8.5734 8.18632 5.61326 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.639 7.03981 7.59757 13.969 16.9386 9.52029 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 8.72409 6.60289 8.70049 9.79447 4.65019 6.28935 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 8.72409 7.70905 9.55385 9.79447 4.65019 8.4208 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.61914 4.51125 8.99878 12.9038 11.7623 8.46734 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 9.499 4.72952 5.95622 10.4134 8.35939 8.86185 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.7282 4.34115 9.58168 9.19506 11.2425 8.00386 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 8.33795 4.52659 8.88059 5.84157 6.1967 7.57779 numMergedOcc 0
25 mol 268 unq 0 iso 0 dist 9.71278 4.77868 6.68794 12.4671 9.69026 7.87089 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.7625 10.6345 9.35976 12.5202 5.41599 6.66936 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.7625 10.6345 9.35976 14.8656 12.7485 8.15119 numMergedOcc 0
