0 mol 41 unq 0 iso 0 dist 7.10635 12.0084 9.18836 3.97934 8.45859 15.3135 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.10635 4.08339 6.07294 3.97934 8.45859 6.00929 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.65672 13.5485 9.79863 10.6356 7.61377 5.77803 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.09675 8.49877 8.3768 11.1342 9.85386 11.1804 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.09675 8.49877 8.3768 8.22845 4.8983 4.39723 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.09675 7.25285 8.13535 11.1342 9.85386 14.019 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.09675 7.25285 8.13535 8.22845 4.8983 4.1846 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 9.02753 4.6403 8.3768 10.0544 9.85386 11.1804 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 9.02753 4.6403 8.3768 6.96897 4.8983 4.39723 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 9.02753 5.90782 8.13535 10.0544 9.85386 14.019 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 9.02753 5.90782 8.13535 6.96897 4.8983 4.1846 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.01516 4.05986 7.99438 12.5904 6.65972 10.2709 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 8.01516 4.05986 7.99438 7.80434 4.2253 6.1647 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 8.01516 4.91535 6.64915 12.5904 6.65972 9.87964 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 8.01516 4.91535 6.64915 7.80434 4.2253 4.31939 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 5.74637 8.09473 7.01545 4.56066 5.6516 5.46401 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 5.53726 11.0631 7.31426 11.0283 6.34669 3.77771 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 9.22651 10.9578 8.62829 10.0473 9.51771 7.06835 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 5.32892 6.21757 8.62829 7.08749 9.51771 7.06835 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.40577 3.88006 4.86767 5.40104 7.4113 3.67473 numMergedOcc 0
20 mol 123 unq 0 iso 0 dist 8.56386 12.3975 9.04549 10.941 8.40918 5.09879 numMergedOcc 0
21 mol 124 unq 0 iso 0 dist 9.7589 11.2067 9.18949 11.2407 8.50362 9.91987 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 9.28415 12.541 8.46376 15.6885 9.57243 3.84623 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 9.28415 12.541 8.46376 7.06015 8.12558 10.3222 numMergedOcc 0
24 mol 165 unq 0 iso 0 dist 9.8446 9.96973 5.79029 3.36546 9.98689 11.7621 numMergedOcc 0
25 mol 165 unq 1 iso 0 dist 9.8446 9.96973 5.79029 14.9166 5.93144 6.57937 numMergedOcc 0
26 mol 174 unq 0 iso 0 dist 4.77805 4.01137 5.07761 7.70204 8.46317 8.95182 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.32641 4.29967 9.2802 4.77079 7.90621 3.74763 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.32641 4.29967 9.2802 7.71219 8.0943 4.4787 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 8.32641 6.48822 7.2843 4.77079 7.90621 4.87674 numMergedOcc 0
30 mol 186 unq 3 iso 0 dist 8.32641 6.48822 7.2843 7.71219 8.0943 8.72129 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 4.45738 11.5701 8.82861 6.18322 6.46946 8.56684 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 8.40718 15.9432 9.23676 16.6893 8.77524 3.85186 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 8.20598 4.73615 9.83883 3.4982 8.2484 5.24709 numMergedOcc 0
34 mol 244 unq 0 iso 0 dist 9.53211 9.01951 9.97458 3.29359 9.3491 11.7712 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 9.80002 15.8648 9.57659 14.1095 8.13393 6.18399 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 9.80002 11.6682 7.8424 14.1095 8.13393 3.91587 numMergedOcc 0
37 mol 273 unq 2 iso 0 dist 6.73794 14.6347 9.57659 10.5232 8.13393 6.18399 numMergedOcc 0
38 mol 273 unq 3 iso 0 dist 6.73794 10.6008 7.8424 10.5232 8.13393 3.91587 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 9.56601 12.9629 9.29922 10.5503 9.98182 18.0446 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 5.76796 4.39355 6.46935 10.1123 7.08681 8.21781 numMergedOcc 0
41 mol 285 unq 1 iso 0 dist 5.76796 4.39355 6.46935 7.01472 4.95596 9.60745 numMergedOcc 0
42 mol 285 unq 2 iso 0 dist 5.76796 4.39355 6.46935 11.0045 6.3508 12.3762 numMergedOcc 0
43 mol 285 unq 3 iso 0 dist 5.76796 4.39355 6.46935 8.2602 8.3005 8.69747 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 8.55037 7.33654 7.14502 3.83842 9.49562 8.15681 numMergedOcc 0
