0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 10.0703 7.8329 9.7713 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 3.30063 9.82851 8.97754 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 3.30063 9.11311 8.97754 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.25567 9.22183 6.64374 10.8557 9.82851 13.5854 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.84625 8.85156 10.5604 6.09663 6.41008 12.5877 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 8.65738 6.2576 8.18375 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.47416 8.57705 4.08868 8.65738 8.96069 8.18375 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.59552 9.68629 11.7168 13.0919 9.69694 17.2842 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 4.48773 7.55367 11.36 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 9.25249 7.34638 11.5696 4.48773 7.55367 8.7081 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 3.77247 5.35711 4.30875 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.37302 6.12348 3.84573 7.1034 6.23759 9.06319 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 8.47541 7.2672 3.84573 7.80142 5.35711 4.30875 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 8.47541 7.2672 3.84573 9.72813 6.23759 9.06319 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.4733 5.90003 10.3622 3.80816 6.21165 4.55071 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 5.49198 9.13697 6.06606 3.78601 8.31198 12.2254 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.7311 9.13697 12.1477 3.78601 9.81349 12.2254 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.6793 5.56446 9.84473 7.06015 6.90583 5.95801 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 7.6793 5.56446 9.84473 6 6.75593 9.92715 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 7.6793 5.56446 9.84473 8.90391 8.83562 12.4743 numMergedOcc 0
20 mol 146 unq 0 iso 0 dist 7.13378 6.93154 8.9669 4.74818 5.95148 10.4559 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 7.13766 6.12453 7.0961 numMergedOcc 0
22 mol 168 unq 1 iso 0 dist 8.90876 9.23064 12.6805 7.29489 9.87447 8.26768 numMergedOcc 0
23 mol 168 unq 2 iso 0 dist 8.90876 7.30338 4.02702 7.13766 6.12453 8.21227 numMergedOcc 0
24 mol 168 unq 3 iso 0 dist 8.90876 7.30338 4.02702 7.29489 9.87447 11.0485 numMergedOcc 0
25 mol 169 unq 0 iso 0 dist 5.51388 6.27683 3.95773 3.89732 5.41121 4.11374 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 5.51388 6.27683 3.95773 7.16323 6.35799 9.23839 numMergedOcc 0
27 mol 169 unq 2 iso 0 dist 7.79437 6.00783 8.86736 4.24401 9.84538 8.6961 numMergedOcc 0
28 mol 169 unq 3 iso 0 dist 8.68909 7.1757 3.95773 7.61664 5.41121 4.11374 numMergedOcc 0
29 mol 169 unq 4 iso 0 dist 8.68909 7.1757 3.95773 10.1079 6.35799 9.23839 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 9.10254 7.02762 5.23187 numMergedOcc 0
31 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 9.4797 7.75318 13.7245 numMergedOcc 0
32 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 13.314 7.75318 13.7245 numMergedOcc 0
33 mol 205 unq 2 iso 0 dist 8.86587 8.69512 16.7363 13.314 7.75318 21.2679 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 6.60049 7.78796 3.92782 3.80161 9.373 11.1818 numMergedOcc 0
