0 mol 10 unq 0 iso 0 dist 7.99404 8.44864 8.76488 10.0703 12.8755 7.8329 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.21423 9.45566 6.30672 12.2887 10.6997 6.53981 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.83906 5.51406 11.5684 8.88997 18.6446 9.97813 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.59382 5.59552 4.7483 13.0919 13.6179 9.69694 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.99537 6.37888 7.27534 6.87448 10.6664 8.4219 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.61879 7.11127 9.18589 3.94069 10.399 8.4219 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.81131 7.11127 9.58876 3.94069 10.1337 8.4219 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.62629 7.4518 10.9752 14.6061 17.6128 7.83506 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.39253 8.4733 13.7956 3.80816 8.53215 6.21165 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.49104 5.49198 5.45341 3.78601 13.0303 8.31198 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.49104 8.7311 10.2702 3.78601 13.0303 9.81349 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.32669 7.6793 4.8653 7.06015 7.53168 6.90583 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.32669 7.6793 4.8653 6 5.18805 6.75593 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 6.32669 7.6793 4.8653 8.90391 7.11158 8.83562 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 6.60739 9.80819 12.193 13.1327 17.2323 5.75959 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 9.22427 9.80819 14.6053 13.1327 18.6273 5.75959 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 5.55129 9.80819 11.2269 13.1327 15.3754 5.75959 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 6.71763 9.81665 12.1772 13.0356 17.0465 5.4798 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 9.32504 9.81665 14.5231 13.0356 18.5065 5.4798 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 5.53778 9.81665 11.1674 13.0356 15.1483 5.4798 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.13872 5.66363 9.21613 3.55808 6.19329 9.20617 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 8.48582 9.37017 8.98299 11.2153 15.184 8.4784 numMergedOcc 0
22 mol 188 unq 1 iso 0 dist 9.94804 9.37017 11.054 11.2153 17.8692 8.4784 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.09754 5.86419 5.42117 3.83801 5.32465 7.75318 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 9.4886 8.63176 8.01004 10.3385 9.30975 9.36974 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 8.78928 6.38341 5.06747 10.2963 12.6851 9.81919 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.34389 8.42076 13.6869 9.03098 13.4969 7.99204 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.34389 8.42076 13.6869 9.03098 13.4969 7.99204 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.34389 8.42076 13.6869 9.03098 13.4969 7.99204 numMergedOcc 0
