0 mol 15 unq 0 iso 0 dist 5.20237 6.88546 6.10381 5.68079 5.04712 5.69755 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.83595 8.90581 5.02236 7.88072 7.22162 5.6849 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 7.49794 13.0811 13.357 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.04551 5.60663 9.48836 7.49794 13.0811 6.34854 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.36915 6.42242 13.1229 5.43913 5.44336 10.8889 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.36915 6.42242 13.1229 8.26877 10.4965 13.697 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.01454 6.42242 6.98858 5.43913 9.12054 10.8889 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.01454 6.42242 6.98858 8.26877 13.688 13.697 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.31161 6.8073 12.2137 7.49794 5.91316 13.357 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.31161 5.60663 5.2902 7.49794 5.91316 6.34854 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.35912 5.55574 8.07336 6.89855 10.749 7.1742 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 7.41952 7.99438 9.30887 6.65972 8.14479 10.2709 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 7.41952 7.99438 9.30887 4.2253 9.07516 6.1647 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 7.41952 6.64915 11.3722 6.65972 8.14479 9.87964 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 7.41952 6.64915 11.3722 4.2253 9.07516 4.31939 numMergedOcc 0
15 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 8.91998 5.4863 12.8723 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 4.91714 4.69684 3.98877 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 7.12199 8.02376 9.23369 4.91714 4.69684 8.90513 numMergedOcc 0
18 mol 92 unq 2 iso 0 dist 7.90837 5.74593 9.58876 4.91714 9.94373 3.98877 numMergedOcc 0
19 mol 92 unq 3 iso 0 dist 7.90837 8.02376 5.64135 4.91714 9.94373 8.90513 numMergedOcc 0
20 mol 92 unq 4 iso 0 dist 9.56884 6.15654 7.21296 6.61645 4.76164 3.87825 numMergedOcc 0
21 mol 92 unq 5 iso 0 dist 9.56884 7.89887 9.18931 6.61645 4.76164 8.8033 numMergedOcc 0
22 mol 92 unq 6 iso 0 dist 8.67865 6.15654 9.52463 6.61645 12.6253 3.87825 numMergedOcc 0
23 mol 92 unq 7 iso 0 dist 8.67865 7.89887 6.07224 6.61645 12.6253 8.8033 numMergedOcc 0
24 mol 92 unq 8 iso 0 dist 8.40148 6.15654 9.30089 6.61645 9.40226 3.87825 numMergedOcc 0
25 mol 92 unq 9 iso 0 dist 8.40148 7.89887 5.77554 6.61645 9.40226 8.8033 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 9.18835 5.12002 10.1606 7.06763 7.47617 4.26413 numMergedOcc 0
27 mol 120 unq 1 iso 0 dist 9.18835 8.46914 5.30162 7.06763 7.47617 3.64386 numMergedOcc 0
28 mol 123 unq 0 iso 0 dist 9.86842 9.04549 4.86652 8.40918 4.42208 5.09879 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 7.25133 6.62527 11.5654 5.78493 4.32945 7.72948 numMergedOcc 0
30 mol 140 unq 0 iso 0 dist 9.92335 6.58859 11.1208 7.82005 4.00168 7.36201 numMergedOcc 0
31 mol 162 unq 0 iso 0 dist 8.98459 9.31025 5.76291 9.88912 4.06355 6.17752 numMergedOcc 0
32 mol 162 unq 1 iso 0 dist 8.98459 9.31025 5.76291 9.46218 11.8004 15.8538 numMergedOcc 0
33 mol 165 unq 0 iso 0 dist 9.59989 5.79029 9.33914 9.98689 9.80262 11.7621 numMergedOcc 0
34 mol 165 unq 1 iso 0 dist 9.59989 5.79029 9.33914 5.93144 11.7431 6.57937 numMergedOcc 0
35 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 8.5544 15.8504 8.00739 numMergedOcc 0
36 mol 184 unq 1 iso 0 dist 7.895 4.88303 5.18787 8.5544 8.94646 8.00739 numMergedOcc 0
37 mol 194 unq 0 iso 0 dist 5.69763 6.57575 6.38935 7.96463 7.55666 12.8597 numMergedOcc 0
38 mol 198 unq 0 iso 0 dist 4.58291 8.28295 5.47473 7.94413 6.52619 4.73496 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 7.00683 9.46973 6.08392 9.41594 4.96901 8.51539 numMergedOcc 0
40 mol 204 unq 1 iso 0 dist 7.00683 9.46973 6.08392 9.92651 3.72258 9.07662 numMergedOcc 0
41 mol 230 unq 0 iso 0 dist 6.88683 8.85051 5.50843 8.01593 7.62813 6.2222 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 9.09835 9.85821 15.7033 8.99104 12.64 14.7528 numMergedOcc 0
43 mol 239 unq 1 iso 0 dist 7.21466 9.85821 11.3034 8.99104 10.3384 14.7528 numMergedOcc 0
44 mol 239 unq 2 iso 0 dist 5.38325 8.89981 5.34167 5.19729 7.07666 8.82573 numMergedOcc 0
45 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 9.3491 12.2668 11.7712 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 9.58767 9.50983 7.48646 9.31626 7.64377 5.68255 numMergedOcc 0
47 mol 253 unq 1 iso 0 dist 9.58767 9.50983 7.48646 9.77366 4.87368 5.57952 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 5.78017 9.29922 13.4771 9.98182 6.3791 18.0446 numMergedOcc 0
49 mol 279 unq 1 iso 0 dist 8.78203 9.29922 12.7014 9.98182 9.86569 18.0446 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 7.02503 9.38952 11.9041 7.00616 3.76721 8.71368 numMergedOcc 0
51 mol 294 unq 0 iso 0 dist 8.0661 7.14502 7.87119 9.49562 5.07231 8.15681 numMergedOcc 0
