0 mol 41 unq 0 iso 0 dist 5.36895 9.78508 6.68779 5.07641 7.99312 14.028 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 5.36895 9.78508 6.68779 8.54745 8.2183 14.8819 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 9.92963 15.4121 5.84171 5.73819 15.4429 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 5.84171 5.73819 9.07906 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 9.92963 18.4575 13.9129 8.80331 23.4952 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 9.92963 18.4575 5.84171 6.20293 15.4429 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 8.90024 8.07389 6.09486 13.9129 8.80331 14.1869 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 8.90024 8.07389 6.09486 5.84171 6.20293 9.07906 numMergedOcc 0
8 mol 43 unq 6 iso 0 dist 6.78532 9.92963 13.9259 5.84171 8.93915 15.4429 numMergedOcc 0
9 mol 43 unq 7 iso 0 dist 6.78532 8.07389 4.40385 5.84171 8.93915 9.07906 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 6.77833 9.54062 10.1702 5.33532 9.65964 10.0194 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 9.53239 7.97049 11.6471 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 9.9795 8.58689 5.83941 13.0232 6.19965 11.2465 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 9.9795 7.82214 5.46695 9.53239 7.97049 8.77199 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 9.9795 7.82214 5.46695 13.0232 6.19965 8.81824 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 5.06555 6.21509 4.98499 7.75534 8.75408 12.259 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 5.06555 6.21509 4.98499 5.61914 6.44653 8.1671 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.42271 6.94623 10.7371 6.16353 6.54501 11.5755 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.42271 6.94623 10.7371 7.07625 6.49416 10.9803 numMergedOcc 0
19 mol 142 unq 0 iso 0 dist 4.93681 7.97859 6.05056 12.8283 9.2313 10.1107 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 4.93681 7.97859 6.05056 10.1677 7.73169 11.3512 numMergedOcc 0
21 mol 142 unq 2 iso 0 dist 4.93681 7.97859 6.05056 10.0866 8.96657 14.5043 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 6.53913 7.71402 6.38496 12.4033 9.87651 5.72735 numMergedOcc 0
23 mol 167 unq 1 iso 0 dist 6.53913 4.74768 8.09332 12.4033 9.87651 16.2246 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.28961 6.58855 4.19562 5.3864 8.49164 6.21943 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 12.7195 8.56633 11.5739 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.25882 6.254 6.16939 9.40714 7.80463 9.25331 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 7.38315 6.77322 3.87128 10.6994 7.32223 9.29422 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.2067 9.95473 8.40328 9.88911 6.42289 12.9131 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 4.63237 9.14619 9.00426 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.80409 9.00616 15.4874 6.39263 8.45658 14.9571 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 9.80409 6.35699 13.3429 4.63237 9.14619 8.19348 numMergedOcc 0
32 mol 261 unq 3 iso 0 dist 9.80409 6.35699 13.3429 6.39263 8.45658 12.6716 numMergedOcc 0
