0 mol 17 unq 0 iso 0 dist 8.35273 7.95079 7.324 4.79124 7.18716 6.74364 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 8.35273 4.79124 7.18716 7.95079 7.324 6.74364 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.52145 9.74984 5.78231 7.27475 9.41538 11.1714 numMergedOcc 0
3 mol 32 unq 0 iso 1 dist 7.52145 7.27475 9.41538 9.74984 5.78231 11.1714 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 8.35776 11.3409 5.78231 8.8719 9.41538 11.1714 numMergedOcc 0
5 mol 32 unq 1 iso 1 dist 8.35776 8.8719 9.41538 11.3409 5.78231 11.1714 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.0827 8.53924 7.49792 4.38006 6.58981 4.97926 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 6.0827 4.38006 6.58981 8.53924 7.49792 4.97926 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 5.23167 6.37499 6.51901 11.7209 9.1926 6.8519 numMergedOcc 0
9 mol 62 unq 1 iso 1 dist 5.23167 11.7209 9.1926 6.37499 6.51901 6.8519 numMergedOcc 0
10 mol 62 unq 2 iso 0 dist 7.47607 9.79569 6.51901 13.1832 9.1926 6.8519 numMergedOcc 0
11 mol 62 unq 2 iso 1 dist 7.47607 13.1832 9.1926 9.79569 6.51901 6.8519 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.98861 8.14775 6.02596 14.9764 8.17454 7.28669 numMergedOcc 0
13 mol 90 unq 0 iso 1 dist 9.98861 14.9764 8.17454 8.14775 6.02596 7.28669 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 5.52904 4.03085 6.02596 4.99029 8.17454 7.28669 numMergedOcc 0
15 mol 90 unq 1 iso 1 dist 5.52904 4.99029 8.17454 4.03085 6.02596 7.28669 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 4.30961 5.67628 8.71568 4.86796 5.81859 10.3536 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 4.30961 4.86796 5.81859 5.67628 8.71568 10.3536 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 4.60192 5.16802 8.03867 4.87865 5.94465 10.0132 numMergedOcc 0
19 mol 117 unq 0 iso 1 dist 4.60192 4.87865 5.94465 5.16802 8.03867 10.0132 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 8.31527 10.7979 5.56598 6.76794 5.39792 4.35802 numMergedOcc 0
21 mol 120 unq 0 iso 1 dist 8.31527 6.76794 5.39792 10.7979 5.56598 4.35802 numMergedOcc 0
22 mol 120 unq 1 iso 0 dist 8.31527 10.7979 5.56598 5.49859 7.00542 7.74329 numMergedOcc 0
23 mol 120 unq 1 iso 1 dist 8.31527 5.49859 7.00542 10.7979 5.56598 7.74329 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 8.31527 6.76794 5.39792 5.49859 7.00542 3.95559 numMergedOcc 0
25 mol 120 unq 1 iso 1 dist 8.31527 5.49859 7.00542 6.76794 5.39792 3.95559 numMergedOcc 0
26 mol 120 unq 2 iso 0 dist 7.64841 6.76794 8.44206 5.49859 9.78884 3.95559 numMergedOcc 0
27 mol 120 unq 2 iso 1 dist 7.64841 5.49859 9.78884 6.76794 8.44206 3.95559 numMergedOcc 0
28 mol 123 unq 0 iso 0 dist 7.49032 4.20645 9.72421 9.0296 8.35926 9.24766 numMergedOcc 0
29 mol 123 unq 0 iso 1 dist 7.49032 9.0296 8.35926 4.20645 9.72421 9.24766 numMergedOcc 0
30 mol 123 unq 1 iso 0 dist 7.04627 6.60637 9.72421 6.33531 8.35926 9.24766 numMergedOcc 0
31 mol 123 unq 1 iso 1 dist 7.04627 6.33531 8.35926 6.60637 9.72421 9.24766 numMergedOcc 0
32 mol 176 unq 0 iso 0 dist 5.23992 9.95833 9.81187 3.97723 4.67031 6.17921 numMergedOcc 0
33 mol 176 unq 0 iso 1 dist 5.23992 3.97723 4.67031 9.95833 9.81187 6.17921 numMergedOcc 0
34 mol 176 unq 1 iso 0 dist 5.23992 9.95833 9.81187 6.09521 9.49412 7.09761 numMergedOcc 0
35 mol 176 unq 1 iso 1 dist 5.23992 6.09521 9.49412 9.95833 9.81187 7.09761 numMergedOcc 0
36 mol 176 unq 1 iso 0 dist 5.23992 3.97723 4.67031 6.09521 9.49412 5.17521 numMergedOcc 0
37 mol 176 unq 1 iso 1 dist 5.23992 6.09521 9.49412 3.97723 4.67031 5.17521 numMergedOcc 0
38 mol 176 unq 2 iso 0 dist 7.91974 9.95833 9.71347 3.97723 6.20326 6.17921 numMergedOcc 0
39 mol 176 unq 2 iso 1 dist 7.91974 3.97723 6.20326 9.95833 9.71347 6.17921 numMergedOcc 0
40 mol 176 unq 3 iso 0 dist 9.1617 9.95833 8.77405 3.97723 6.8243 6.17921 numMergedOcc 0
41 mol 176 unq 3 iso 1 dist 9.1617 3.97723 6.8243 9.95833 8.77405 6.17921 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 9.3032 10.4172 4.55528 13.6082 6.88386 5.72474 numMergedOcc 0
43 mol 194 unq 0 iso 1 dist 9.3032 13.6082 6.88386 10.4172 4.55528 5.72474 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 8.10451 10.3249 4.55528 6.55814 6.88386 5.72474 numMergedOcc 0
45 mol 194 unq 1 iso 1 dist 8.10451 6.55814 6.88386 10.3249 4.55528 5.72474 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 6.6747 10.3249 4.42095 6.55814 4.63898 5.72474 numMergedOcc 0
47 mol 194 unq 2 iso 1 dist 6.6747 6.55814 4.63898 10.3249 4.42095 5.72474 numMergedOcc 0
48 mol 194 unq 3 iso 0 dist 6.6747 10.3249 4.42095 14.9692 9.53641 10.1601 numMergedOcc 0
49 mol 194 unq 3 iso 1 dist 6.6747 14.9692 9.53641 10.3249 4.42095 10.1601 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 6.6747 6.55814 4.63898 14.9692 9.53641 12.2071 numMergedOcc 0
51 mol 194 unq 3 iso 1 dist 6.6747 14.9692 9.53641 6.55814 4.63898 12.2071 numMergedOcc 0
52 mol 194 unq 4 iso 0 dist 6.28412 6.65382 4.42095 8.25387 4.63898 5.72474 numMergedOcc 0
53 mol 194 unq 4 iso 1 dist 6.28412 8.25387 4.63898 6.65382 4.42095 5.72474 numMergedOcc 0
54 mol 194 unq 5 iso 0 dist 6.28412 6.65382 4.42095 4.09071 9.53641 10.1601 numMergedOcc 0
55 mol 194 unq 5 iso 1 dist 6.28412 4.09071 9.53641 6.65382 4.42095 10.1601 numMergedOcc 0
56 mol 194 unq 5 iso 0 dist 6.28412 8.25387 4.63898 4.09071 9.53641 12.2071 numMergedOcc 0
57 mol 194 unq 5 iso 1 dist 6.28412 4.09071 9.53641 8.25387 4.63898 12.2071 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 9.05194 14.9602 9.05879 5.495 6.67548 11.3529 numMergedOcc 0
59 mol 264 unq 0 iso 1 dist 9.05194 5.495 6.67548 14.9602 9.05879 11.3529 numMergedOcc 0
60 mol 284 unq 0 iso 0 dist 5.06373 4.29335 5.2862 6.24981 5.31097 4.24841 numMergedOcc 0
61 mol 284 unq 0 iso 1 dist 5.06373 6.24981 5.31097 4.29335 5.2862 4.24841 numMergedOcc 0
62 mol 287 unq 0 iso 0 dist 7.96707 13.5162 9.03468 5.22713 6.05363 12.9333 numMergedOcc 0
63 mol 287 unq 0 iso 1 dist 7.96707 5.22713 6.05363 13.5162 9.03468 12.9333 numMergedOcc 0
64 mol 288 unq 0 iso 0 dist 7.96707 13.5162 9.03468 5.22713 6.05363 12.9333 numMergedOcc 0
65 mol 288 unq 0 iso 1 dist 7.96707 5.22713 6.05363 13.5162 9.03468 12.9333 numMergedOcc 0
66 mol 289 unq 0 iso 0 dist 7.96707 13.5162 9.03468 5.22713 6.05363 12.9333 numMergedOcc 0
67 mol 289 unq 0 iso 1 dist 7.96707 5.22713 6.05363 13.5162 9.03468 12.9333 numMergedOcc 0
