0 mol 21 unq 0 iso 0 dist 6.93185 4.20216 5.63735 4.28381 6.28263 5.3862 numMergedOcc 0
1 mol 21 unq 0 iso 1 dist 6.93185 4.28381 6.28263 4.20216 5.63735 5.3862 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 6.24515 5.94068 8.20298 6.96883 6.13351 3.52812 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 6.24515 6.96883 6.13351 5.94068 8.20298 3.52812 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 6.47855 6.19061 8.20298 5.88718 6.13351 3.52812 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 6.47855 5.88718 6.13351 6.19061 8.20298 3.52812 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.6481 4.39445 7.58739 10.7557 9.01564 7.13086 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 7.6481 10.7557 9.01564 4.39445 7.58739 7.13086 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.6481 4.39445 7.58739 9.1083 7.11065 5.68445 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 7.6481 9.1083 7.11065 4.39445 7.58739 5.68445 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.6481 10.7557 9.01564 9.1083 7.11065 6.20884 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 7.6481 9.1083 7.11065 10.7557 9.01564 6.20884 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.11258 13.2208 7.58739 14.6599 9.01564 7.13086 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 9.11258 14.6599 9.01564 13.2208 7.58739 7.13086 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 9.11258 13.2208 7.58739 9.47022 7.11065 5.68445 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 9.11258 9.47022 7.11065 13.2208 7.58739 5.68445 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 9.11258 14.6599 9.01564 9.47022 7.11065 6.20884 numMergedOcc 0
17 mol 58 unq 3 iso 1 dist 9.11258 9.47022 7.11065 14.6599 9.01564 6.20884 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.10439 6.10063 8.96616 6.15714 6.14542 3.30399 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 7.10439 6.15714 6.14542 6.10063 8.96616 3.30399 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 9.63599 4.1859 9.77084 8.68431 6.5551 6.48468 numMergedOcc 0
21 mol 79 unq 0 iso 1 dist 9.63599 8.68431 6.5551 4.1859 9.77084 6.48468 numMergedOcc 0
22 mol 79 unq 1 iso 0 dist 8.01743 5.95598 9.77084 4.47084 6.5551 6.48468 numMergedOcc 0
23 mol 79 unq 1 iso 1 dist 8.01743 4.47084 6.5551 5.95598 9.77084 6.48468 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 6.05495 7.2898 5.05893 4.13305 5.71866 3.78063 numMergedOcc 0
25 mol 85 unq 0 iso 1 dist 6.05495 4.13305 5.71866 7.2898 5.05893 3.78063 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 6.0652 4.22932 7.81446 6.13211 6.55173 6.25463 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 6.0652 6.13211 6.55173 4.22932 7.81446 6.25463 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 4.25566 10.9801 7.42144 10.0279 6.27658 3.3724 numMergedOcc 0
29 mol 141 unq 0 iso 1 dist 4.25566 10.0279 6.27658 10.9801 7.42144 3.3724 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 6.63171 6.88786 7.42144 6.8633 6.27658 3.3724 numMergedOcc 0
31 mol 141 unq 1 iso 1 dist 6.63171 6.8633 6.27658 6.88786 7.42144 3.3724 numMergedOcc 0
32 mol 141 unq 2 iso 0 dist 7.67273 9.63622 7.42144 10.8428 6.27658 3.3724 numMergedOcc 0
33 mol 141 unq 2 iso 1 dist 7.67273 10.8428 6.27658 9.63622 7.42144 3.3724 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 5.97685 4.48306 8.12266 10.2172 9.43306 10.1041 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 5.97685 10.2172 9.43306 4.48306 8.12266 10.1041 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 5.97685 4.48306 8.12266 10.9122 8.59681 13.0097 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 5.97685 10.9122 8.59681 4.48306 8.12266 13.0097 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 5.97685 10.2172 9.43306 10.9122 8.59681 6.02942 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 5.97685 10.9122 8.59681 10.2172 9.43306 6.02942 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 8.9289 4.88823 8.12266 14.2334 9.43306 10.1041 numMergedOcc 0
41 mol 181 unq 2 iso 1 dist 8.9289 14.2334 9.43306 4.88823 8.12266 10.1041 numMergedOcc 0
42 mol 181 unq 3 iso 0 dist 8.9289 4.88823 8.12266 16.1796 8.59681 13.0097 numMergedOcc 0
43 mol 181 unq 3 iso 1 dist 8.9289 16.1796 8.59681 4.88823 8.12266 13.0097 numMergedOcc 0
44 mol 181 unq 3 iso 0 dist 8.9289 14.2334 9.43306 16.1796 8.59681 6.02942 numMergedOcc 0
45 mol 181 unq 3 iso 1 dist 8.9289 16.1796 8.59681 14.2334 9.43306 6.02942 numMergedOcc 0
46 mol 214 unq 0 iso 0 dist 7.69296 6.2381 5.31416 9.8806 5.44533 5.97842 numMergedOcc 0
47 mol 214 unq 0 iso 1 dist 7.69296 9.8806 5.44533 6.2381 5.31416 5.97842 numMergedOcc 0
48 mol 273 unq 0 iso 0 dist 8.68913 8.0478 7.85836 10.9311 6.35532 4.80896 numMergedOcc 0
49 mol 273 unq 0 iso 1 dist 8.68913 10.9311 6.35532 8.0478 7.85836 4.80896 numMergedOcc 0
