0 mol 41 unq 0 iso 0 dist 8.45063 9.08934 4.68793 10.7583 7.64235 6.59294 3.84207 7.7727 9.50094 9.02592 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.45063 9.08934 4.68793 6.24565 6.00623 5.62412 3.84207 7.7727 9.50094 5.05474 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 8.45063 9.08934 4.68793 5.14132 6.59367 5.0364 3.84207 7.7727 9.50094 7.42205 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.41134 5.29688 9.05547 8.85727 8.10708 14.134 5.96516 8.185 10.1462 7.57153 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.61357 12.0007 9.05547 4.07863 8.10708 14.134 7.53537 8.185 10.1462 7.57153 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.73908 13.4703 9.7754 3.89794 8.18002 13.6262 7.27578 5.26566 6.60361 8.14072 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 5.73908 13.4703 9.7754 3.89794 8.18002 13.6262 5.66182 6.27118 9.64558 4.262 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 5.73908 13.4703 9.7754 9.05937 7.07032 6.65054 7.27578 5.26566 6.60361 5.54348 numMergedOcc 0
8 mol 68 unq 3 iso 0 dist 5.73908 13.4703 9.7754 9.05937 7.07032 6.65054 5.66182 6.27118 9.64558 3.9061 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.53726 4.33359 6.30103 4.43947 8.15236 6.93027 11.0283 6.34669 9.85862 12.2134 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 5.53726 4.33359 6.30103 11.8016 8.24447 11.145 11.0283 6.34669 9.85862 4.07336 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 4.65504 7.77669 10.3111 3.47137 8.06007 12.5746 3.63393 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.7013 12.3067 9.45659 4.65504 7.77669 10.6973 3.47137 8.06007 13.5565 3.63393 numMergedOcc 0
13 mol 175 unq 2 iso 0 dist 7.7013 7.28603 9.44856 4.65504 7.77669 6.27043 3.47137 8.06007 9.03819 3.63393 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 8.72578 6.20364 5.10683 6.00114 5.60554 5.35865 8.03625 7.94351 5.62746 4.23392 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 7.26376 5.0241 8.09769 6.16486 9.38761 4.74167 5.23281 8.58891 10.0702 9.62023 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 7.26376 4.36122 7.24832 6.16486 9.38761 4.9853 5.23281 8.58891 5.0824 9.62023 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 6.75411 6.52635 10.9667 3.64298 9.87477 4.95884 10.2516 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 9.80002 10.5063 6.54753 14.2814 6.59786 4.89568 14.1095 8.13393 5.07045 3.40141 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 9.80002 10.5063 6.54753 17.5382 7.96519 11.5447 14.1095 8.13393 5.07045 9.36978 numMergedOcc 0
20 mol 273 unq 2 iso 0 dist 6.73794 5.75973 6.54753 9.11005 6.59786 4.89568 10.5232 8.13393 5.07045 3.40141 numMergedOcc 0
21 mol 273 unq 3 iso 0 dist 6.73794 5.75973 6.54753 13.7838 7.96519 11.5447 10.5232 8.13393 5.07045 9.36978 numMergedOcc 0
22 mol 293 unq 0 iso 0 dist 6.97887 8.40114 8.78835 4.37303 5.88449 4.74164 5.93756 7.15948 6.11795 5.66577 numMergedOcc 0
23 mol 293 unq 1 iso 0 dist 6.97887 8.40114 8.78835 11.0749 7.2668 7.0683 5.93756 7.15948 6.11795 10.547 numMergedOcc 0
