0 mol 24 unq 0 iso 0 dist 6.01284 9.45579 5.05643 4.82556 5.78532 9.69815 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.01284 9.45579 5.05643 6.25108 8.49709 10.7495 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.73167 7.40948 10.1642 5.30297 6.07276 10.6018 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 7.99016 6.41793 3.52812 5.14532 8.20298 6.13351 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 7.99016 6.50101 5.02447 5.14532 8.20298 9.49942 numMergedOcc 0
5 mol 39 unq 2 iso 0 dist 6.41793 7.99016 3.52812 5.14532 6.13351 8.20298 numMergedOcc 0
6 mol 39 unq 3 iso 0 dist 6.41793 6.50101 5.09114 5.14532 6.13351 9.49942 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.04168 5.70907 9.61175 10.6438 6.5551 14.6122 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 6.98037 6.9223 6.02822 8.67827 6.59716 6.87506 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 6.9223 6.98037 6.02822 8.67827 6.87506 6.59716 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.8435 5.99269 5.21654 15.8624 9.19977 14.2126 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.8435 5.99269 5.21654 14.7862 7.28831 11.6193 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.8435 5.99269 5.21654 9.42916 9.71411 12.2183 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.8435 5.71763 13.3531 15.8624 9.19977 20.7659 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 7.8435 5.71763 13.3531 14.7862 7.28831 19.8987 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 7.8435 5.71763 13.3531 9.42916 9.71411 11.9145 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.14707 9.18457 6.70343 16.2968 9.25444 9.84703 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 9.14707 9.18457 6.70343 8.26478 8.46823 4.62494 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 9.18457 9.14707 6.70343 16.2968 9.84703 9.25444 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 9.18457 9.14707 6.70343 8.26478 4.62494 8.46823 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 5.43933 9.97483 5.20124 5.91698 7.67238 11.8232 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 5.43933 4.99604 6.86881 5.91698 7.67238 10.3786 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 5.43933 7.44041 9.41803 5.91698 7.67238 10.1906 numMergedOcc 0
23 mol 112 unq 3 iso 0 dist 7.44041 5.43933 9.41803 15.0784 8.72725 17.7626 numMergedOcc 0
24 mol 112 unq 4 iso 0 dist 7.44041 4.99604 10.5905 15.0784 8.72725 18.6669 numMergedOcc 0
25 mol 112 unq 5 iso 0 dist 7.44041 9.97483 10.596 15.0784 8.72725 18.5304 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 9.57341 9.6121 12.7135 14.8901 8.67537 20.5375 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 5.53324 6.72182 9.10229 5.92931 4.19371 11.7017 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 6.72182 5.53324 9.10229 7.50057 9.00322 9.64441 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 6.34234 7.87972 10.558 6.0634 6.22742 13.3723 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 7.87972 6.34234 10.558 11.4252 9.24936 15.9401 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 7.8744 9.87668 16.7885 8.98957 6.94762 16.0999 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 7.8744 9.87668 16.7885 6.59663 7.7086 11.432 numMergedOcc 0
33 mol 225 unq 2 iso 0 dist 7.8744 8.42121 14.5755 8.98957 6.94762 17.1195 numMergedOcc 0
34 mol 225 unq 3 iso 0 dist 7.8744 8.42121 14.5755 6.59663 7.7086 13.1625 numMergedOcc 0
35 mol 225 unq 4 iso 0 dist 7.8744 4.98402 8.90802 8.98957 6.94762 10.1785 numMergedOcc 0
36 mol 225 unq 5 iso 0 dist 7.8744 4.98402 8.90802 6.59663 7.7086 10.351 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 9.50634 9.65775 17.1683 7.16782 9.31888 12.6653 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 7.37478 5.8304 11.3734 5.89415 8.98854 11.458 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 7.37478 5.8304 11.3734 15.1378 9.42255 19.7895 numMergedOcc 0
