0 mol 26 unq 0 iso 0 dist 9.44507 14.2845 8.98417 3.30063 9.11311 12.6093 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.45566 11.5696 9.98746 12.2887 6.53981 5.05082 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 6.66861 8.03646 9.89804 6.77823 6.76315 8.45962 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 6.72084 13.0255 9.89804 8.80267 6.76315 8.45962 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.51406 6.16048 6.93893 8.88997 9.97813 12.7678 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.11127 4.24483 5.74593 3.94069 8.4219 3.63696 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 6.37888 6.18402 5.74593 6.87448 8.4219 3.63696 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 7.11438 11.011 5.74593 12.6706 8.4219 3.63696 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.4518 8.97237 7.8962 14.6061 7.83506 9.6722 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.25249 6.99582 7.48563 4.48773 7.55367 7.22521 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.41411 4.34199 7.48563 3.78499 7.55367 7.22521 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 6.03154 3.93522 7.61237 4.62046 7.4442 8.12622 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.49198 8.22726 7.50264 3.78601 8.31198 11.8519 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.6793 3.56357 8.71007 7.06015 6.90583 9.65579 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 7.6793 3.56357 8.71007 6 6.75593 5.93647 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 7.6793 3.56357 8.71007 8.90391 8.83562 8.51016 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.80819 14.6035 7.46919 13.1327 5.75959 7.34563 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 9.86714 7.51096 8.24581 3.68446 6.6946 7.34563 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 9.81665 14.6751 7.36989 13.0356 5.4798 7.33121 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 9.33412 7.47118 8.17805 3.56564 6.32391 7.33121 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 9.37017 9.44575 6.20426 11.2153 8.4784 8.6599 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 8.08939 16.7895 9.97458 15.1141 9.30179 4.80974 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 8.08939 16.7895 9.97458 3.62882 6.10489 13.59 numMergedOcc 0
23 mol 244 unq 2 iso 0 dist 8.08939 16.7895 9.97458 7.8506 4.4204 12.146 numMergedOcc 0
24 mol 244 unq 3 iso 0 dist 7.33574 15.1633 9.97458 12.1511 9.30179 4.80974 numMergedOcc 0
25 mol 244 unq 4 iso 0 dist 7.33574 15.1633 9.97458 5.2503 6.10489 13.59 numMergedOcc 0
26 mol 244 unq 5 iso 0 dist 7.33574 15.1633 9.97458 3.66626 4.4204 12.146 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.69704 13.127 9.29788 7.8581 9.82605 12.9301 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 9.69704 13.127 9.29788 8.46732 9.73723 8.8893 numMergedOcc 0
29 mol 253 unq 2 iso 0 dist 9.69704 14.7487 9.50983 7.8581 9.82605 16.4827 numMergedOcc 0
30 mol 253 unq 3 iso 0 dist 9.69704 14.7487 9.50983 8.46732 9.73723 13.3075 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 6.60049 9.28841 8.67838 3.80161 9.373 9.75548 numMergedOcc 0
