0 mol 26 unq 0 iso 0 dist 7.61055 10.267 6.73167 6.77624 7.40948 10.1642 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 7.61055 6.77624 7.40948 10.267 6.73167 10.1642 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.19733 5.94068 7.99016 6.96883 6.41793 3.52812 numMergedOcc 0
3 mol 39 unq 0 iso 1 dist 8.19733 6.96883 6.41793 5.94068 7.99016 3.52812 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 8.19733 5.94068 7.99016 9.56481 6.50101 5.02447 numMergedOcc 0
5 mol 39 unq 1 iso 1 dist 8.19733 9.56481 6.50101 5.94068 7.99016 5.02447 numMergedOcc 0
6 mol 39 unq 1 iso 0 dist 8.19733 6.96883 6.41793 9.56481 6.50101 5.09114 numMergedOcc 0
7 mol 39 unq 1 iso 1 dist 8.19733 9.56481 6.50101 6.96883 6.41793 5.09114 numMergedOcc 0
8 mol 39 unq 2 iso 0 dist 8.57165 13.5954 7.99016 13.0639 6.41793 3.52812 numMergedOcc 0
9 mol 39 unq 2 iso 1 dist 8.57165 13.0639 6.41793 13.5954 7.99016 3.52812 numMergedOcc 0
10 mol 39 unq 3 iso 0 dist 8.57165 13.5954 7.99016 9.32558 6.50101 5.02447 numMergedOcc 0
11 mol 39 unq 3 iso 1 dist 8.57165 9.32558 6.50101 13.5954 7.99016 5.02447 numMergedOcc 0
12 mol 39 unq 3 iso 0 dist 8.57165 13.0639 6.41793 9.32558 6.50101 5.09114 numMergedOcc 0
13 mol 39 unq 3 iso 1 dist 8.57165 9.32558 6.50101 13.0639 6.41793 5.09114 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 7.85041 12.1673 7.8435 7.30779 5.99269 5.21654 numMergedOcc 0
15 mol 93 unq 0 iso 1 dist 7.85041 7.30779 5.99269 12.1673 7.8435 5.21654 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.85041 12.1673 7.8435 9.18194 5.71763 13.3531 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 7.85041 9.18194 5.71763 12.1673 7.8435 13.3531 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.85041 7.30779 5.99269 9.18194 5.71763 10.7398 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 7.85041 9.18194 5.71763 7.30779 5.99269 10.7398 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.82011 10.119 9.97483 8.36589 5.43933 5.20124 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 7.82011 8.36589 5.43933 10.119 9.97483 5.20124 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 7.82011 10.119 9.97483 4.89178 4.99604 10.8861 numMergedOcc 0
23 mol 112 unq 1 iso 1 dist 7.82011 4.89178 4.99604 10.119 9.97483 10.8861 numMergedOcc 0
24 mol 112 unq 2 iso 0 dist 7.82011 10.119 9.97483 9.69404 7.44041 10.596 numMergedOcc 0
25 mol 112 unq 2 iso 1 dist 7.82011 9.69404 7.44041 10.119 9.97483 10.596 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 7.82011 8.36589 5.43933 4.89178 4.99604 6.86881 numMergedOcc 0
27 mol 112 unq 1 iso 1 dist 7.82011 4.89178 4.99604 8.36589 5.43933 6.86881 numMergedOcc 0
28 mol 112 unq 2 iso 0 dist 7.82011 8.36589 5.43933 9.69404 7.44041 9.41803 numMergedOcc 0
29 mol 112 unq 2 iso 1 dist 7.82011 9.69404 7.44041 8.36589 5.43933 9.41803 numMergedOcc 0
30 mol 112 unq 2 iso 0 dist 7.82011 4.89178 4.99604 9.69404 7.44041 10.5905 numMergedOcc 0
31 mol 112 unq 2 iso 1 dist 7.82011 9.69404 7.44041 4.89178 4.99604 10.5905 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 7.94153 5.93479 7.04815 5.86306 6.07389 6.05141 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 7.94153 5.86306 6.07389 5.93479 7.04815 6.05141 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 9.77862 8.31541 5.53324 6.72001 6.72182 9.10229 numMergedOcc 0
35 mol 194 unq 0 iso 1 dist 9.77862 6.72001 6.72182 8.31541 5.53324 9.10229 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 9.79691 10.5776 6.34234 4.18074 7.87972 10.558 numMergedOcc 0
37 mol 195 unq 0 iso 1 dist 9.79691 4.18074 7.87972 10.5776 6.34234 10.558 numMergedOcc 0
38 mol 198 unq 0 iso 0 dist 8.15936 4.12366 8.8864 8.27289 8.12201 5.85034 numMergedOcc 0
39 mol 198 unq 0 iso 1 dist 8.15936 8.27289 8.12201 4.12366 8.8864 5.85034 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 8.15936 4.12366 8.8864 7.09645 5.45162 5.38093 numMergedOcc 0
41 mol 198 unq 1 iso 1 dist 8.15936 7.09645 5.45162 4.12366 8.8864 5.38093 numMergedOcc 0
42 mol 198 unq 1 iso 0 dist 8.15936 8.27289 8.12201 7.09645 5.45162 6.06126 numMergedOcc 0
43 mol 198 unq 1 iso 1 dist 8.15936 7.09645 5.45162 8.27289 8.12201 6.06126 numMergedOcc 0
44 mol 198 unq 2 iso 0 dist 8.16598 5.7714 8.8864 5.50315 8.12201 5.85034 numMergedOcc 0
45 mol 198 unq 2 iso 1 dist 8.16598 5.50315 8.12201 5.7714 8.8864 5.85034 numMergedOcc 0
46 mol 198 unq 3 iso 0 dist 8.16598 5.7714 8.8864 8.18633 5.45162 5.38093 numMergedOcc 0
47 mol 198 unq 3 iso 1 dist 8.16598 8.18633 5.45162 5.7714 8.8864 5.38093 numMergedOcc 0
48 mol 198 unq 3 iso 0 dist 8.16598 5.50315 8.12201 8.18633 5.45162 6.06126 numMergedOcc 0
49 mol 198 unq 3 iso 1 dist 8.16598 8.18633 5.45162 5.50315 8.12201 6.06126 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 7.29542 13.317 9.87668 10.43 8.42121 8.05944 numMergedOcc 0
51 mol 225 unq 0 iso 1 dist 7.29542 10.43 8.42121 13.317 9.87668 8.05944 numMergedOcc 0
52 mol 225 unq 1 iso 0 dist 7.29542 13.317 9.87668 6.24324 7.8744 16.7885 numMergedOcc 0
53 mol 225 unq 1 iso 1 dist 7.29542 6.24324 7.8744 13.317 9.87668 16.7885 numMergedOcc 0
54 mol 225 unq 2 iso 0 dist 7.29542 13.317 9.87668 10.7885 4.98402 13.7858 numMergedOcc 0
55 mol 225 unq 2 iso 1 dist 7.29542 10.7885 4.98402 13.317 9.87668 13.7858 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 7.29542 10.43 8.42121 6.24324 7.8744 14.5755 numMergedOcc 0
57 mol 225 unq 1 iso 1 dist 7.29542 6.24324 7.8744 10.43 8.42121 14.5755 numMergedOcc 0
58 mol 225 unq 2 iso 0 dist 7.29542 10.43 8.42121 10.7885 4.98402 11.2712 numMergedOcc 0
59 mol 225 unq 2 iso 1 dist 7.29542 10.7885 4.98402 10.43 8.42121 11.2712 numMergedOcc 0
60 mol 225 unq 2 iso 0 dist 7.29542 6.24324 7.8744 10.7885 4.98402 8.90802 numMergedOcc 0
61 mol 225 unq 2 iso 1 dist 7.29542 10.7885 4.98402 6.24324 7.8744 8.90802 numMergedOcc 0
62 mol 250 unq 0 iso 0 dist 8.70484 9.91231 7.22664 8.25599 7.15762 6.74332 numMergedOcc 0
63 mol 250 unq 0 iso 1 dist 8.70484 8.25599 7.15762 9.91231 7.22664 6.74332 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 5.2361 4.21466 8.19529 6.19861 6.45396 5.1765 numMergedOcc 0
65 mol 252 unq 0 iso 1 dist 5.2361 6.19861 6.45396 4.21466 8.19529 5.1765 numMergedOcc 0
66 mol 252 unq 1 iso 0 dist 5.57515 11.9287 8.19529 7.84988 6.45396 5.1765 numMergedOcc 0
67 mol 252 unq 1 iso 1 dist 5.57515 7.84988 6.45396 11.9287 8.19529 5.1765 numMergedOcc 0
68 mol 252 unq 2 iso 0 dist 8.28694 11.5083 8.19529 6.38319 6.45396 5.1765 numMergedOcc 0
69 mol 252 unq 2 iso 1 dist 8.28694 6.38319 6.45396 11.5083 8.19529 5.1765 numMergedOcc 0
70 mol 270 unq 0 iso 0 dist 6.31869 4.4142 7.39185 3.98629 8.20158 6.67404 numMergedOcc 0
71 mol 270 unq 0 iso 1 dist 6.31869 3.98629 8.20158 4.4142 7.39185 6.67404 numMergedOcc 0
72 mol 279 unq 0 iso 0 dist 8.23056 6.25207 5.8304 10.8722 7.37478 11.3734 numMergedOcc 0
73 mol 279 unq 0 iso 1 dist 8.23056 10.8722 7.37478 6.25207 5.8304 11.3734 numMergedOcc 0
74 mol 284 unq 0 iso 0 dist 8.27054 9.97692 9.07503 10.6148 7.63256 4.7381 numMergedOcc 0
75 mol 284 unq 0 iso 1 dist 8.27054 10.6148 7.63256 9.97692 9.07503 4.7381 numMergedOcc 0
