0 mol 10 unq 0 iso 0 dist 9.09015 7.70383 3.3748 9.74846 7.82815 10.1589 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 6.97549 6.47424 8.53083 4.27102 8.20246 10.4287 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 6.47424 6.97549 8.53083 11.5624 9.59744 15.6644 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 9.59744 8.37314 8.45469 11.5624 6.47424 14.0003 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 8.6548 8.95766 5.48001 9.23344 6.02608 10.3057 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 8.55413 7.65919 9.76537 6.44723 6.98134 9.61657 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.39792 8.44206 5.26524 4.35802 5.56598 9.65403 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 5.39792 8.44206 5.26524 3.95559 7.00542 9.78884 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 8.44206 5.39792 5.26524 3.95559 9.78884 7.00542 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 7.00542 9.78884 5.26524 7.74329 5.56598 9.65403 numMergedOcc 0
10 mol 120 unq 4 iso 0 dist 7.00542 9.78884 5.26524 3.95559 5.39792 8.44206 numMergedOcc 0
11 mol 120 unq 5 iso 0 dist 9.78884 7.00542 5.26524 3.95559 8.44206 5.39792 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 8.35926 8.09682 10.2185 9.24766 9.72421 16.4685 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 8.35926 7.41568 13.0033 9.24766 9.72421 15.2739 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 6.03024 5.39386 7.05599 5.64998 7.50372 10.6694 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 6.03024 5.79819 5.61172 5.64998 7.50372 9.88424 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 9.81187 9.71347 3.00778 6.17921 4.67031 6.20326 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 9.81187 9.71347 3.00778 7.09761 9.49412 10.9826 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 9.81187 8.77405 5.3861 6.17921 4.67031 6.8243 numMergedOcc 0
19 mol 176 unq 3 iso 0 dist 9.81187 8.77405 5.3861 7.09761 9.49412 11.8005 numMergedOcc 0
20 mol 176 unq 4 iso 0 dist 9.81187 8.5107 8.21185 6.17921 4.67031 8.90797 numMergedOcc 0
21 mol 176 unq 5 iso 0 dist 9.81187 8.5107 8.21185 7.09761 9.49412 13.3927 numMergedOcc 0
22 mol 176 unq 6 iso 0 dist 4.67031 6.20326 3.00778 6.17921 9.81187 9.71347 numMergedOcc 0
23 mol 176 unq 7 iso 0 dist 4.67031 6.20326 3.00778 5.17521 9.49412 10.9826 numMergedOcc 0
24 mol 176 unq 8 iso 0 dist 4.67031 8.98043 8.45723 6.17921 9.81187 10.5825 numMergedOcc 0
25 mol 176 unq 9 iso 0 dist 4.67031 8.98043 8.45723 5.17521 9.49412 13.2659 numMergedOcc 0
26 mol 176 unq 10 iso 0 dist 4.67031 6.8243 5.3861 6.17921 9.81187 8.77405 numMergedOcc 0
27 mol 176 unq 11 iso 0 dist 4.67031 6.8243 5.3861 5.17521 9.49412 11.8005 numMergedOcc 0
28 mol 176 unq 12 iso 0 dist 4.67031 8.90797 8.21185 6.17921 9.81187 8.5107 numMergedOcc 0
29 mol 176 unq 13 iso 0 dist 4.67031 8.90797 8.21185 5.17521 9.49412 13.3927 numMergedOcc 0
30 mol 176 unq 14 iso 0 dist 9.71347 9.81187 3.00778 6.17921 6.20326 4.67031 numMergedOcc 0
31 mol 176 unq 15 iso 0 dist 9.71347 8.77405 5.04828 6.17921 6.20326 6.8243 numMergedOcc 0
32 mol 176 unq 16 iso 0 dist 9.71347 8.5107 6.79616 6.17921 6.20326 8.90797 numMergedOcc 0
33 mol 176 unq 17 iso 0 dist 6.20326 4.67031 3.00778 6.17921 9.71347 9.81187 numMergedOcc 0
34 mol 176 unq 18 iso 0 dist 6.20326 8.98043 9.21089 6.17921 9.71347 10.5825 numMergedOcc 0
35 mol 176 unq 19 iso 0 dist 6.20326 6.8243 5.04828 6.17921 9.71347 8.77405 numMergedOcc 0
36 mol 176 unq 20 iso 0 dist 6.20326 8.90797 6.79616 6.17921 9.71347 8.5107 numMergedOcc 0
37 mol 176 unq 21 iso 0 dist 8.77405 9.81187 5.3861 6.17921 6.8243 4.67031 numMergedOcc 0
38 mol 176 unq 22 iso 0 dist 8.77405 9.71347 5.04828 6.17921 6.8243 6.20326 numMergedOcc 0
39 mol 176 unq 23 iso 0 dist 8.77405 8.5107 3.47516 6.17921 6.8243 8.90797 numMergedOcc 0
40 mol 176 unq 24 iso 0 dist 6.8243 4.67031 5.3861 6.17921 8.77405 9.81187 numMergedOcc 0
41 mol 176 unq 25 iso 0 dist 6.8243 6.20326 5.04828 6.17921 8.77405 9.71347 numMergedOcc 0
42 mol 176 unq 26 iso 0 dist 6.8243 8.98043 4.47711 6.17921 8.77405 10.5825 numMergedOcc 0
43 mol 176 unq 27 iso 0 dist 6.8243 8.90797 3.47516 6.17921 8.77405 8.5107 numMergedOcc 0
44 mol 176 unq 28 iso 0 dist 8.5107 9.81187 8.21185 6.17921 8.90797 4.67031 numMergedOcc 0
45 mol 176 unq 29 iso 0 dist 8.5107 9.71347 6.79616 6.17921 8.90797 6.20326 numMergedOcc 0
46 mol 176 unq 30 iso 0 dist 8.5107 8.77405 3.47516 6.17921 8.90797 6.8243 numMergedOcc 0
47 mol 176 unq 31 iso 0 dist 8.90797 4.67031 8.21185 6.17921 8.5107 9.81187 numMergedOcc 0
48 mol 176 unq 32 iso 0 dist 8.90797 6.20326 6.79616 6.17921 8.5107 9.71347 numMergedOcc 0
49 mol 176 unq 33 iso 0 dist 8.90797 8.98043 6.34877 6.17921 8.5107 10.5825 numMergedOcc 0
50 mol 176 unq 34 iso 0 dist 8.90797 6.8243 3.47516 6.17921 8.5107 8.77405 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 5.72474 6.88386 4.63898 numMergedOcc 0
52 mol 194 unq 1 iso 0 dist 4.42095 4.55528 3.78714 5.72474 4.63898 6.88386 numMergedOcc 0
53 mol 194 unq 2 iso 0 dist 4.42095 4.55528 3.78714 10.1601 9.53641 11.9425 numMergedOcc 0
54 mol 194 unq 3 iso 0 dist 6.88386 4.63898 3.78714 5.72474 4.55528 4.42095 numMergedOcc 0
55 mol 194 unq 4 iso 0 dist 4.63898 6.88386 3.78714 5.72474 4.42095 4.55528 numMergedOcc 0
56 mol 194 unq 5 iso 0 dist 4.63898 6.88386 3.78714 12.2071 9.53641 11.9425 numMergedOcc 0
57 mol 212 unq 0 iso 0 dist 8.13391 8.4285 3.62594 4.61536 9.10717 9.63444 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 6.67548 5.57579 2.95376 11.3529 9.05879 10.354 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 5.77565 6.32853 5.57024 12.1772 9.89615 11.6437 numMergedOcc 0
60 mol 294 unq 0 iso 0 dist 4.83062 8.81999 11.8335 5.89 8.65363 13.4825 numMergedOcc 0
61 mol 294 unq 1 iso 0 dist 4.83062 5.18334 4.59062 5.89 8.65363 6.44588 numMergedOcc 0
62 mol 294 unq 2 iso 0 dist 8.65363 6.44588 4.59062 5.89 4.83062 5.18334 numMergedOcc 0
63 mol 294 unq 3 iso 0 dist 5.18334 8.81999 12.3466 5.89 6.44588 13.4825 numMergedOcc 0
64 mol 294 unq 4 iso 0 dist 5.18334 4.83062 4.59062 5.89 6.44588 8.65363 numMergedOcc 0
65 mol 294 unq 5 iso 0 dist 6.44588 8.65363 4.59062 5.89 5.18334 4.83062 numMergedOcc 0
