0 mol 26 unq 0 iso 0 dist 9.06516 14.531 9.96121 11.553 6.81793 10.8434 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.96121 14.531 9.06516 10.8434 6.81793 11.553 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.03126 14.2885 9.68228 11.6859 9.02642 10.8453 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.68228 14.2885 7.03126 10.8453 9.02642 11.6859 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.4605 6.31884 6.1906 4.67641 7.58875 4.5168 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 6.1906 6.31884 5.4605 4.5168 7.58875 4.67641 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.4605 4.64409 6.7272 4.67641 7.58875 7.04549 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 6.7272 4.64409 5.4605 7.04549 7.58875 4.67641 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 6.53824 6.31884 7.67686 4.67641 6.91169 4.5168 numMergedOcc 0
9 mol 72 unq 2 iso 1 dist 7.67686 6.31884 6.53824 4.5168 6.91169 4.67641 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.1906 6.08893 6.7272 4.5168 7.58875 7.04549 numMergedOcc 0
11 mol 72 unq 1 iso 1 dist 6.7272 6.08893 6.1906 7.04549 7.58875 4.5168 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.13374 8.58342 9.08536 7.39626 8.67537 15.4934 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 9.08536 8.58342 6.13374 15.4934 8.67537 7.39626 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.26972 6.83062 7.54341 6.76437 7.58337 11.3535 numMergedOcc 0
15 mol 141 unq 0 iso 1 dist 7.54341 6.83062 4.26972 11.3535 7.58337 6.76437 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 7.29911 5.68272 5.36254 9.50478 9.16358 5.50045 numMergedOcc 0
17 mol 155 unq 0 iso 1 dist 5.36254 5.68272 7.29911 5.50045 9.16358 9.50478 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 7.29911 5.68272 5.36254 12.0574 9.24038 6.40403 numMergedOcc 0
19 mol 155 unq 1 iso 1 dist 5.36254 5.68272 7.29911 6.40403 9.24038 12.0574 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 6.11135 7.46053 6.54481 4.34256 9.32959 11.2817 numMergedOcc 0
21 mol 194 unq 0 iso 1 dist 6.54481 7.46053 6.11135 11.2817 9.32959 4.34256 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 6.11135 7.46053 6.54481 4.79043 8.64056 6.56076 numMergedOcc 0
23 mol 194 unq 1 iso 1 dist 6.54481 7.46053 6.11135 6.56076 8.64056 4.79043 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 6.11135 7.61485 8.03403 4.34256 9.32959 9.79708 numMergedOcc 0
25 mol 194 unq 2 iso 1 dist 8.03403 7.61485 6.11135 9.79708 9.32959 4.34256 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 6.11135 7.61485 8.03403 4.79043 8.64056 4.48495 numMergedOcc 0
27 mol 194 unq 3 iso 1 dist 8.03403 7.61485 6.11135 4.48495 8.64056 4.79043 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 6.54481 4.87859 8.03403 11.2817 9.32959 9.79708 numMergedOcc 0
29 mol 194 unq 2 iso 1 dist 8.03403 4.87859 6.54481 9.79708 9.32959 11.2817 numMergedOcc 0
30 mol 194 unq 3 iso 0 dist 6.54481 4.87859 8.03403 6.56076 8.64056 4.48495 numMergedOcc 0
31 mol 194 unq 3 iso 1 dist 8.03403 4.87859 6.54481 4.48495 8.64056 6.56076 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 5.87439 5.42587 8.18059 4.4994 6.22742 5.99784 numMergedOcc 0
33 mol 195 unq 0 iso 1 dist 8.18059 5.42587 5.87439 5.99784 6.22742 4.4994 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 9.59426 4.63933 8.61306 6.53543 8.57119 9.52657 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 8.61306 4.63933 9.59426 9.52657 8.57119 6.53543 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 5.73591 4.74813 8.55345 6.957 5.05368 7.16077 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 8.55345 4.74813 5.73591 7.16077 5.05368 6.957 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 9.11572 12.4341 9.49229 7.17691 7.77911 6.51967 numMergedOcc 0
39 mol 234 unq 0 iso 1 dist 9.49229 12.4341 9.11572 6.51967 7.77911 7.17691 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 9.11572 10.9755 7.20293 7.17691 7.77911 4.51304 numMergedOcc 0
41 mol 234 unq 1 iso 1 dist 7.20293 10.9755 9.11572 4.51304 7.77911 7.17691 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 9.49229 5.6054 7.20293 6.51967 7.77911 4.51304 numMergedOcc 0
43 mol 234 unq 1 iso 1 dist 7.20293 5.6054 9.49229 4.51304 7.77911 6.51967 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 8.92667 6.95 6.0283 14.9504 7.17958 9.09973 numMergedOcc 0
45 mol 279 unq 0 iso 1 dist 6.0283 6.95 8.92667 9.09973 7.17958 14.9504 numMergedOcc 0
