0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 13.5785 6.0225 9.72725 16.4903 9.19007 9.64573 6.94943 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 14.4965 12.8323 9.87885 6.49868 7.88043 10.2446 8.15894 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.20552 15.1647 8.41585 14.4965 12.8323 9.87885 8.07954 8.80762 12.3097 8.45544 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 7.40392 8.59466 7.36323 11.0243 5.50396 7.27472 13.4279 11.9933 10.0655 7.96195 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 10.8355 4.96926 6.75943 10.0977 8.44903 5.48048 7.15901 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.06275 5.5249 8.80331 8.74209 5.41726 6.6263 11.8036 10.0649 7.05402 7.15901 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 8.74209 5.41726 6.75943 11.8036 10.0649 5.48048 7.15901 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 8.90024 13.9129 8.80331 10.8355 5.41726 6.6263 10.0977 10.0649 7.05402 7.15901 numMergedOcc 0
8 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 10.8355 5.41726 6.75943 10.0977 10.0649 5.48048 7.15901 numMergedOcc 0
9 mol 43 unq 5 iso 0 dist 6.78532 5.84171 8.93915 10.8355 10.0383 6.75943 10.0977 13.5072 5.48048 7.15901 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 10.3611 3.94537 9.3948 12.7101 9.7126 14.484 7.27506 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 16.0926 11.3215 9.3948 21.6171 18.067 14.484 7.27506 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 5.90298 7.26086 7.32662 8.75597 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 20.7643 12.285 12.3881 9.18457 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 5.90298 7.26086 13.4985 8.75597 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 20.7643 12.285 7.89505 9.18457 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 21.913 15.6191 13.9572 6.83746 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 20.7643 12.285 13.1975 9.14707 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 5.90298 7.26086 6.934 8.75597 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 20.7643 12.285 13.1975 9.18457 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 8.8736 7.26086 7.32662 8.75597 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 16.1793 12.285 12.3881 9.18457 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 8.8736 7.26086 13.4985 8.75597 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 16.1793 12.285 7.89505 9.18457 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 18.1394 15.6191 13.9572 6.83746 numMergedOcc 0
25 mol 98 unq 13 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 16.1793 12.285 13.1975 9.14707 numMergedOcc 0
26 mol 98 unq 14 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 8.8736 7.26086 6.934 8.75597 numMergedOcc 0
27 mol 98 unq 15 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 16.1793 12.285 13.1975 9.18457 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 14.395 10.8635 9.33094 17.112 10.873 9.4027 5.11043 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.84656 16.7911 9.71307 18.4308 15.0225 9.1998 17.112 10.873 5.12325 6.99345 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 14.395 10.8635 8.69531 17.112 10.873 5.12325 5.11043 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 4.9155 10.879 6.49416 14.395 12.3479 9.33094 17.112 13.846 9.4027 5.11043 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.49987 10.9399 6.49416 14.5869 12.3479 9.33094 17.9211 13.846 9.4027 5.11043 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 9.42271 7.07625 6.49416 6.14652 12.3479 9.33094 9.75179 13.846 9.4027 5.11043 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 12.3347 7.39837 5.40637 16.2472 13.4668 10.8441 8.68663 numMergedOcc 0
35 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 9.4275 5.39112 6.59889 12.369 10.4911 7.2238 7.1069 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 9.4275 5.39112 6.70693 12.369 10.4911 5.59336 7.1069 numMergedOcc 0
37 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 10.9114 6.42973 7.06025 5.24118 4.92088 10.1489 8.25282 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 6.32553 3.56269 6.52816 9.91251 10.03 5.54129 7.53395 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 11.0981 12.8595 6.74196 12.1321 12.5287 6.42798 7.97027 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.88846 6.17038 7.54212 14.5172 12.5866 8.36842 12.1321 12.5287 6.42798 4.9876 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 8.97461 11.6506 7.31233 18.2277 10.3162 9.12776 20.3695 11.9624 11.0349 6.53286 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 20.4474 18.6283 13.1624 8.88763 numMergedOcc 0
43 mol 239 unq 1 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 16.1386 13.3923 7.34872 6.43209 numMergedOcc 0
44 mol 239 unq 2 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 12.474 13.1682 8.9361 8.48769 numMergedOcc 0
