0 mol 7 unq 0 iso 0 dist 5.51421 4.7739 5.99459 3.52338 7.78327 7.00508 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.73067 5.96514 7.26639 3.47751 8.83233 8.71152 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 4.88613 4.99692 8.96727 6.09663 7.17488 10.5853 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 3.70586 8.01308 6.09663 7.17488 5.11422 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.06168 13.9003 8.72682 15.6688 8.62079 14.0236 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.06168 8.88868 6.45841 15.6688 8.62079 11.9118 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.06168 10.8798 5.61588 15.6688 8.62079 10.0644 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.06168 13.7267 7.83244 15.6688 8.62079 12.1501 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.67532 17.2466 8.72682 8.22845 8.62079 14.0236 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 8.67532 10.2047 6.45841 8.22845 8.62079 11.9118 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 8.67532 10.8441 5.61588 8.22845 8.62079 10.0644 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 8.67532 15.2203 7.83244 8.22845 8.62079 12.1501 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.23023 13.8703 6.85523 15.9532 7.91148 6.99884 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 9.23023 13.8703 6.85523 14.6188 6.59794 3.75261 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 15.1992 8.34957 10.6388 numMergedOcc 0
15 mol 78 unq 3 iso 0 dist 9.23023 11.9719 5.77326 15.9532 7.91148 4.75637 numMergedOcc 0
16 mol 78 unq 4 iso 0 dist 9.23023 11.9719 5.77326 14.6188 6.59794 5.62063 numMergedOcc 0
17 mol 78 unq 5 iso 0 dist 9.23023 11.9719 5.77326 15.1992 8.34957 3.81575 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 6.58793 6.97936 7.7068 12.1387 8.04242 11.1225 numMergedOcc 0
19 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 3.48087 9.07128 9.11654 numMergedOcc 0
20 mol 88 unq 1 iso 0 dist 9.72689 10.0429 7.80898 10.0091 6.65615 10.8983 numMergedOcc 0
21 mol 88 unq 2 iso 0 dist 7.74197 11.151 7.80898 12.4888 9.07128 9.11654 numMergedOcc 0
22 mol 88 unq 3 iso 0 dist 7.74197 11.151 7.80898 6.15983 6.65615 10.8983 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.89481 7.09333 8.80934 5.96967 7.02367 3.52445 numMergedOcc 0
24 mol 113 unq 1 iso 0 dist 8.89481 7.09333 8.80934 7.52951 9.30832 10.4701 numMergedOcc 0
25 mol 122 unq 0 iso 0 dist 6.78949 4.78332 6.00603 6.80573 4.42563 3.17342 numMergedOcc 0
26 mol 122 unq 1 iso 0 dist 9.40018 12.4857 6.00603 12.9961 4.42563 3.17342 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 9.28278 9.63308 6.69691 3.54691 7.97548 9.74071 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 9.28278 9.63308 6.69691 5.56761 9.64164 6.92699 numMergedOcc 0
29 mol 129 unq 2 iso 0 dist 9.28278 9.05571 5.51197 3.54691 7.97548 9.87781 numMergedOcc 0
30 mol 129 unq 3 iso 0 dist 9.28278 9.05571 5.51197 5.56761 9.64164 9.93375 numMergedOcc 0
31 mol 129 unq 4 iso 0 dist 9.28278 14.5546 8.86944 3.54691 7.97548 13.8096 numMergedOcc 0
32 mol 129 unq 5 iso 0 dist 9.28278 14.5546 8.86944 5.56761 9.64164 11.221 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 9.81306 8.99891 14.4074 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 8.30654 4.68518 5.40637 9.81306 8.99891 5.94217 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 3.55808 9.70481 18.0236 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 3.59953 8.29467 5.09584 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 3.59953 8.29467 11.4645 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 9.84952 10.0615 9.55105 3.59953 8.29467 11.5807 numMergedOcc 0
39 mol 195 unq 0 iso 0 dist 7.63036 3.58901 7.41662 8.15115 6.59544 5.60873 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 3.70636 9.23086 17.435 numMergedOcc 0
41 mol 197 unq 1 iso 0 dist 8.3337 5.5875 9.73548 3.70636 9.23086 4.91041 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 7.73315 3.5359 7.33709 14.9642 7.84952 13.5381 numMergedOcc 0
43 mol 257 unq 0 iso 0 dist 7.82899 14.9352 8.83833 11.7751 9.6834 9.14227 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 8.96343 6.17642 5.46926 7.9169 7.42932 5.9732 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 8.96343 8.24206 5.13913 7.9169 7.42932 3.79766 numMergedOcc 0
46 mol 277 unq 2 iso 0 dist 9.29635 12.7269 9.35539 7.31817 4.9764 13.2853 numMergedOcc 0
47 mol 277 unq 3 iso 0 dist 9.29635 12.7269 9.35539 3.91224 6.36559 12.4985 numMergedOcc 0
48 mol 277 unq 4 iso 0 dist 9.29635 12.2421 8.9682 7.31817 4.9764 5.9732 numMergedOcc 0
49 mol 277 unq 5 iso 0 dist 9.29635 12.2421 8.9682 3.91224 6.36559 8.61922 numMergedOcc 0
50 mol 277 unq 6 iso 0 dist 9.29635 10.9521 6.92711 7.31817 4.9764 3.79766 numMergedOcc 0
51 mol 277 unq 7 iso 0 dist 9.29635 10.9521 6.92711 3.91224 6.36559 7.07613 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 9.20416 8.88312 7.20674 3.64117 6.69619 8.76061 numMergedOcc 0
53 mol 292 unq 1 iso 0 dist 9.20416 8.88312 7.20674 7.30677 4.49592 9.42231 numMergedOcc 0
54 mol 292 unq 2 iso 0 dist 9.20416 12.3704 8.38121 3.64117 6.69619 12.1704 numMergedOcc 0
55 mol 292 unq 3 iso 0 dist 9.20416 12.3704 8.38121 7.30677 4.49592 11.9106 numMergedOcc 0
56 mol 292 unq 4 iso 0 dist 7.53641 10.0594 7.20674 6.97445 6.69619 8.76061 numMergedOcc 0
57 mol 292 unq 5 iso 0 dist 7.53641 10.0594 7.20674 5.33412 4.49592 9.42231 numMergedOcc 0
58 mol 292 unq 6 iso 0 dist 7.53641 15.5666 8.38121 6.97445 6.69619 12.1704 numMergedOcc 0
59 mol 292 unq 7 iso 0 dist 7.53641 15.5666 8.38121 5.33412 4.49592 11.9106 numMergedOcc 0
