0 mol 0 unq 0 iso 0 dist 9.23213 10.3034 6.3267 5.24778 8.34244 6.0597 6.26831 4.04089 7.48645 6.64713 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.47421 8.27962 9.29529 9.5997 9.57198 4.45625 8.83269 6.81435 10.4906 8.076 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.47421 8.27962 9.29529 9.5997 9.57198 4.45625 15.5119 13.6861 10.3282 6.32226 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 8.83269 6.81435 9.82483 8.076 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.47421 11.4878 7.2199 9.5997 9.57198 6.0397 15.5119 13.6861 9.22214 6.32226 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 9.77484 10.1814 8.11206 14.3929 7.60283 7.47886 19.9619 14.2471 10.4028 7.45532 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 10.7082 5.55096 8.70414 13.2858 4.52443 12.5773 8.80014 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 9.20119 16.2375 8.13782 10.7082 5.55096 6.39184 13.2858 4.52443 7.95778 8.80014 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 6.99408 7.39653 8.13782 13.4503 9.62637 13.1805 13.9502 7.91752 10.537 9.32898 numMergedOcc 0
9 mol 45 unq 3 iso 0 dist 9.3403 10.6095 8.13782 10.6148 9.62637 13.1805 15.174 7.91752 10.537 9.32898 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.63333 10.6476 6.96494 10.2049 9.11258 13.4366 14.62 9.17656 14.6093 6.62229 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.63333 5.92889 7.01363 10.2049 9.11258 8.88332 14.62 9.17656 12.8203 6.62229 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.89374 12.7331 6.96494 5.49591 9.11258 13.4366 10.9864 9.17656 14.6093 6.62229 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 8.89374 7.05413 7.01363 5.49591 9.11258 8.88332 10.9864 9.17656 12.8203 6.62229 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.46761 8.74789 6.96494 5.85698 9.11258 13.4366 7.27383 9.17656 14.6093 6.62229 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 6.46761 6.61756 7.01363 5.85698 9.11258 8.88332 7.27383 9.17656 12.8203 6.62229 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 9.73139 7.02095 6.96494 12.2123 9.11258 13.4366 12.5444 9.17656 14.6093 6.62229 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 9.73139 8.94672 7.01363 12.2123 9.11258 8.88332 12.5444 9.17656 12.8203 6.62229 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 14.3116 8.36453 8.06525 9.35942 numMergedOcc 0
19 mol 114 unq 1 iso 0 dist 6.73814 12.1324 9.86739 13.7032 9.83981 9.47219 20.2915 17.1979 15.0678 7.42482 numMergedOcc 0
20 mol 114 unq 2 iso 0 dist 6.73814 6.95201 8.39249 13.7032 9.83981 14.0577 14.3116 8.36453 11.9332 9.35942 numMergedOcc 0
21 mol 114 unq 3 iso 0 dist 6.73814 6.95201 8.39249 13.7032 9.83981 14.0577 20.2915 17.1979 20.6751 7.42482 numMergedOcc 0
22 mol 114 unq 4 iso 0 dist 6.73814 5.9968 8.93623 13.7032 9.83981 10.6837 14.3116 8.36453 15.1774 9.35942 numMergedOcc 0
23 mol 114 unq 5 iso 0 dist 6.73814 5.9968 8.93623 13.7032 9.83981 10.6837 20.2915 17.1979 15.8708 7.42482 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 6.93652 7.57216 6.2135 7.42649 5.26989 8.7258 6.69515 8.00633 12.4542 6.94988 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 9.54444 6.96143 6.2135 8.39549 5.26989 8.7258 11.0888 8.00633 12.4542 6.94988 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 7.93331 13.3053 9.79554 4.72839 6.64779 15.1434 12.4422 10.2821 19.7874 8.03528 numMergedOcc 0
27 mol 173 unq 1 iso 0 dist 6.98095 8.94065 9.79554 8.07089 6.64779 15.1434 14.5628 10.2821 19.7874 8.03528 numMergedOcc 0
28 mol 173 unq 2 iso 0 dist 8.31897 14.2537 9.79554 5.70743 6.64779 15.1434 13.1902 10.2821 19.7874 8.03528 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 9.8589 11.0415 4.79852 8.29015 5.4997 4.30489 12.6297 5.95187 7.01126 5.89564 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 9.8589 11.0415 4.79852 14.7282 6.99693 4.57622 12.6297 5.95187 7.01126 5.60528 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 9.8589 11.0415 4.79852 14.7282 6.99693 4.57622 15.2721 5.46129 6.58434 5.5995 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 7.24908 5.0384 4.79852 4.63177 5.4997 4.30489 10.1905 5.95187 7.01126 5.89564 numMergedOcc 0
33 mol 175 unq 4 iso 0 dist 7.24908 5.0384 4.79852 9.30597 6.99693 4.57622 10.1905 5.95187 7.01126 5.60528 numMergedOcc 0
34 mol 175 unq 5 iso 0 dist 7.24908 5.0384 4.79852 9.30597 6.99693 4.57622 11.1503 5.46129 6.58434 5.5995 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 6.95408 7.11879 6.41318 5.43725 9.86703 12.2576 6.96521 4.05564 9.68977 7.74683 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 9.57538 8.89656 6.41318 10.0597 9.86703 12.2576 11.3758 4.05564 9.68977 7.74683 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 9.2285 7.8502 6.41318 13.5246 9.86703 12.2576 12.3049 4.05564 9.68977 7.74683 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 7.58278 7.82648 6.41318 14.8824 9.86703 12.2576 11.1778 4.05564 9.68977 7.74683 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 9.39181 6.29366 5.32183 12.6661 7.22019 6.56416 14.2988 5.3976 9.06084 6.00582 numMergedOcc 0
