0 mol 12 unq 0 iso 0 dist 5.25583 7.86307 7.03296 4.12573 6.6691 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.25583 7.86307 7.03296 5.83262 9.23807 7.13046 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 5.25583 7.86307 7.03296 10.5333 9.52857 14.6581 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.34763 9.36326 11.2386 4.93307 5.99176 9.71382 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.66008 9.36326 9.66509 4.93307 6.98583 9.71382 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 8.81493 5.89919 5.53962 5.41268 9.05678 7.75012 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 8.81493 5.89919 5.53962 6.06511 8.73383 6.98158 numMergedOcc 0
7 mol 128 unq 2 iso 0 dist 6.49794 8.04178 5.53962 6.78058 9.05678 7.75012 numMergedOcc 0
8 mol 128 unq 3 iso 0 dist 6.49794 8.04178 5.53962 7.34304 8.73383 6.98158 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 7.94257 9.39237 5.03111 4.43511 6.47434 6.50043 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.89646 7.9061 15.5988 11.7737 7.08651 19.3589 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 9.89646 7.9061 15.5988 15.5134 6.78887 22.1223 numMergedOcc 0
12 mol 147 unq 2 iso 0 dist 9.89646 4.48898 10.9183 11.7737 7.08651 14.2659 numMergedOcc 0
13 mol 147 unq 3 iso 0 dist 9.89646 4.48898 10.9183 15.5134 6.78887 17.1905 numMergedOcc 0
14 mol 174 unq 0 iso 0 dist 8.36618 8.79469 5.2323 6.07412 8.39178 10.1869 numMergedOcc 0
15 mol 174 unq 1 iso 0 dist 8.36618 8.79469 5.2323 7.20832 7.54918 7.47932 numMergedOcc 0
16 mol 203 unq 0 iso 0 dist 6.79769 9.92969 4.52739 8.94229 8.22927 12.6751 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.70738 5.75996 4.47004 8.9959 8.99609 8.08764 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 6.70738 5.75996 4.47004 6.56772 8.09656 9.7086 numMergedOcc 0
19 mol 239 unq 2 iso 0 dist 8.55314 7.44932 4.47004 12.8119 8.99609 8.08764 numMergedOcc 0
20 mol 239 unq 3 iso 0 dist 8.55314 7.44932 4.47004 10.0385 8.09656 9.7086 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 8.60091 8.08534 4.54892 4.35114 9.18477 6.66959 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.27283 8.91185 8.1973 6.33919 7.53905 13.496 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 7.27283 9.28273 8.46837 6.33919 7.53905 9.71152 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 8.35447 7.98461 14.3971 10.4141 7.53905 18.2895 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 8.35447 5.60932 8.1973 10.4141 7.53905 13.496 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.17727 9.97399 13.074 6.25614 9.5144 5.7131 numMergedOcc 0
