0 mol 4 unq 0 iso 0 dist 7.53929 9.31285 11.5093 8.60134 3.25279 14.3737 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.53929 8.66947 10.8758 8.60134 3.25279 11.1776 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.42607 6.49709 5.8961 5.59847 5.23547 4.10106 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.20956 6.49709 4.73237 5.59847 6.74026 4.10106 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 9.4649 8.81762 7.29441 8.1133 12.14 10.6667 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 9.4649 8.81762 7.29441 8.44727 12.9864 6.75472 numMergedOcc 0
6 mol 18 unq 2 iso 0 dist 9.4649 5.32149 10.4194 8.1133 12.14 4.59668 numMergedOcc 0
7 mol 18 unq 3 iso 0 dist 9.4649 5.32149 10.4194 8.44727 12.9864 5.67577 numMergedOcc 0
8 mol 18 unq 4 iso 0 dist 6.45965 8.81762 8.32004 8.1133 10.8265 10.6667 numMergedOcc 0
9 mol 18 unq 5 iso 0 dist 6.45965 8.81762 8.32004 8.44727 3.91445 6.75472 numMergedOcc 0
10 mol 18 unq 6 iso 0 dist 6.45965 5.32149 6.47139 8.1133 10.8265 4.59668 numMergedOcc 0
11 mol 18 unq 7 iso 0 dist 6.45965 5.32149 6.47139 8.44727 3.91445 5.67577 numMergedOcc 0
12 mol 34 unq 0 iso 0 dist 9.12062 8.36524 15.5673 5.39587 13.3334 4.55481 numMergedOcc 0
13 mol 34 unq 1 iso 0 dist 9.12062 8.36524 15.5673 6.47252 8.73415 13.4762 numMergedOcc 0
14 mol 56 unq 0 iso 0 dist 7.68259 5.84326 4.61096 7.07124 10.6754 6.15355 numMergedOcc 0
15 mol 68 unq 0 iso 0 dist 9.073 5.9651 5.71797 6.09085 6.4113 7.50975 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 8.63204 11.0976 12.7012 numMergedOcc 0
17 mol 70 unq 1 iso 0 dist 9.2794 6.77833 5.51579 5.4014 6.92915 8.20805 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 9.35364 7.90775 15.7022 7.84956 10.5689 7.45908 numMergedOcc 0
19 mol 95 unq 1 iso 0 dist 9.35364 7.90775 15.7022 8.57607 17.1595 4.99174 numMergedOcc 0
20 mol 95 unq 2 iso 0 dist 9.35364 7.90775 15.7022 6.1991 15.0045 4.46005 numMergedOcc 0
21 mol 95 unq 3 iso 0 dist 9.35364 7.90775 15.7022 5.96246 10.1179 8.28518 numMergedOcc 0
22 mol 95 unq 4 iso 0 dist 9.35364 8.49531 3.96825 7.84956 10.5689 10.2496 numMergedOcc 0
23 mol 95 unq 5 iso 0 dist 9.35364 8.49531 3.96825 8.57607 17.1595 16.6518 numMergedOcc 0
24 mol 95 unq 6 iso 0 dist 9.35364 8.49531 3.96825 6.1991 15.0045 13.1525 numMergedOcc 0
25 mol 95 unq 7 iso 0 dist 9.35364 8.49531 3.96825 5.96246 10.1179 7.26851 numMergedOcc 0
26 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 6.91978 3.65582 6.9791 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.49649 8.31276 15.5462 7.96353 11.0328 15.3018 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.49649 5.79157 6.36794 7.96353 11.0328 10.7951 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 8.49649 5.50687 5.73965 7.96353 11.0328 5.4761 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 8.49649 7.30919 11.0638 7.96353 11.0328 5.03507 numMergedOcc 0
31 mol 154 unq 0 iso 0 dist 9.71025 6.44195 5.88662 8.59532 7.4198 4.55687 numMergedOcc 0
32 mol 154 unq 1 iso 0 dist 9.71025 7.34207 12.461 8.59532 7.4198 13.5599 numMergedOcc 0
33 mol 169 unq 0 iso 0 dist 9.19569 6.28961 4.34424 8.89822 7.0638 5.7891 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 6.22466 9.52413 11.7795 8.9388 3.6848 15.4336 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 5.7709 4.78641 5.90604 6.27266 3.7157 5.41635 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 8.95136 9.25882 10.6076 9.71147 11.9786 6.95738 numMergedOcc 0
37 mol 205 unq 1 iso 0 dist 8.95136 9.25882 10.6076 6.32553 10.0544 3.56269 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 5.96615 3.72432 5.70473 numMergedOcc 0
39 mol 233 unq 0 iso 0 dist 4.91191 6.48196 6.52848 7.69531 3.66075 5.65362 numMergedOcc 0
40 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 5.65458 3.67057 7.48679 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 5.77107 6.44657 4.16039 7.12723 8.02755 10.8644 numMergedOcc 0
