0 mol 26 unq 0 iso 0 dist 7.22361 11.3644 6.15893 4.15342 9.36924 12.8622 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 6.15893 11.3644 7.22361 12.8622 9.36924 4.15342 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 6.24515 4.85203 6.47855 5.94068 8.20298 6.19061 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 6.47855 4.85203 6.24515 6.19061 8.20298 5.94068 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 6.24515 4.85203 6.47855 6.96883 6.13351 5.88718 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 6.47855 4.85203 6.24515 5.88718 6.13351 6.96883 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.6481 13.9773 9.11258 4.39445 7.58739 13.2208 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 9.11258 13.9773 7.6481 13.2208 7.58739 4.39445 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.6481 13.9773 9.11258 10.7557 9.01564 14.6599 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 9.11258 13.9773 7.6481 14.6599 9.01564 10.7557 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.6481 13.9773 9.11258 9.1083 7.11065 9.47022 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 9.11258 13.9773 7.6481 9.47022 7.11065 9.1083 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.63599 9.20479 8.01743 4.1859 9.77084 5.95598 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 8.01743 9.20479 9.63599 5.95598 9.77084 4.1859 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 9.63599 9.20479 8.01743 8.68431 6.5551 4.47084 numMergedOcc 0
15 mol 79 unq 1 iso 1 dist 8.01743 9.20479 9.63599 4.47084 6.5551 8.68431 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.55616 9.57049 8.73604 9.48887 9.0176 5.67107 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 8.73604 9.57049 8.55616 5.67107 9.0176 9.48887 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.25566 7.41037 6.63171 10.9801 7.42144 6.88786 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 6.63171 7.41037 4.25566 6.88786 7.42144 10.9801 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 4.25566 7.41037 6.63171 10.0279 6.27658 6.8633 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 6.63171 7.41037 4.25566 6.8633 6.27658 10.0279 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 4.25566 6.97263 7.67273 10.9801 7.42144 9.63622 numMergedOcc 0
23 mol 141 unq 2 iso 1 dist 7.67273 6.97263 4.25566 9.63622 7.42144 10.9801 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 4.25566 6.97263 7.67273 10.0279 6.27658 10.8428 numMergedOcc 0
25 mol 141 unq 3 iso 1 dist 7.67273 6.97263 4.25566 10.8428 6.27658 10.0279 numMergedOcc 0
26 mol 141 unq 2 iso 0 dist 6.63171 6.23867 7.67273 6.88786 7.42144 9.63622 numMergedOcc 0
27 mol 141 unq 2 iso 1 dist 7.67273 6.23867 6.63171 9.63622 7.42144 6.88786 numMergedOcc 0
28 mol 141 unq 3 iso 0 dist 6.63171 6.23867 7.67273 6.8633 6.27658 10.8428 numMergedOcc 0
29 mol 141 unq 3 iso 1 dist 7.67273 6.23867 6.63171 10.8428 6.27658 6.8633 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 6.97487 6.54147 6.46089 5.43382 5.06564 4.38322 numMergedOcc 0
31 mol 143 unq 0 iso 1 dist 6.46089 6.54147 6.97487 4.38322 5.06564 5.43382 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 9.0529 7.63368 7.55196 12.0485 9.24038 4.48516 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 7.55196 7.63368 9.0529 4.48516 9.24038 12.0485 numMergedOcc 0
34 mol 159 unq 0 iso 0 dist 5.9032 7.97065 8.52082 4.27525 9.35202 10.5255 numMergedOcc 0
35 mol 159 unq 0 iso 1 dist 8.52082 7.97065 5.9032 10.5255 9.35202 4.27525 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.19117 7.48559 6.26365 4.01736 8.81244 4.45276 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 6.26365 7.48559 9.19117 4.45276 8.81244 4.01736 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 5.97685 6.46849 8.9289 4.48306 8.12266 4.88823 numMergedOcc 0
39 mol 181 unq 0 iso 1 dist 8.9289 6.46849 5.97685 4.88823 8.12266 4.48306 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 5.97685 6.46849 8.9289 10.2172 9.43306 14.2334 numMergedOcc 0
41 mol 181 unq 1 iso 1 dist 8.9289 6.46849 5.97685 14.2334 9.43306 10.2172 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 5.97685 6.46849 8.9289 10.9122 8.59681 16.1796 numMergedOcc 0
43 mol 181 unq 2 iso 1 dist 8.9289 6.46849 5.97685 16.1796 8.59681 10.9122 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 7.43663 9.35875 7.94068 11.8229 7.77911 6.45373 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 7.94068 9.35875 7.43663 6.45373 7.77911 11.8229 numMergedOcc 0
