0 mol 24 unq 0 iso 0 dist 7.63824 10.9159 7.79911 4.09817 9.58192 10.0857 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.56722 12.1174 8.76224 14.9575 9.2146 7.77448 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 6.64146 4.03892 8.49879 4.85938 9.11764 5.97456 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.51901 10.1564 7.25138 5.90259 7.16844 5.56988 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 9.1926 10.5761 7.25138 6.38075 7.16844 5.56988 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.63792 4.35001 6.46582 9.51274 9.57759 11.3491 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.39335 12.3044 6.73466 13.8821 9.38837 3.44873 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 8.39335 12.3044 6.73466 6.6691 9.80913 10.3854 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.96189 8.74935 6.13459 8.99253 8.28591 3.91263 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 5.96189 8.74935 6.13459 3.78587 5.35008 5.59024 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 5.96189 8.74935 6.13459 10.5386 8.30921 12.9872 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 4.81841 4.98105 7.74924 3.84897 4.3439 3.60451 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 4.81841 4.98105 7.74924 5.78182 6.05855 8.25253 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.44 15.0126 7.96893 15.8274 8.67025 8.60362 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.44206 10.1556 8.03124 9.64212 9.98772 4.22448 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 9.78884 12.3435 8.03124 10.8696 9.98772 4.22448 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 8.5107 12.2988 9.09554 10.4037 9.9109 3.94408 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 8.90797 15.7575 9.09554 15.1544 9.9109 3.94408 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.91764 3.8834 4.37577 5.72704 7.36794 3.6848 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.91764 3.8834 4.37577 5.72963 5.81881 5.33968 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.15344 3.89328 9.12524 10.7662 8.23717 9.69119 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 7.45508 9.19611 8.53092 10.7383 7.97504 5.59638 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 9.11501 12.3297 7.88108 5.75884 8.51564 9.0549 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 5.28746 7.5048 9.35293 11.5675 8.20376 10.858 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 5.28746 8.13064 7.93375 11.5675 8.20376 7.54309 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.03468 6.1412 8.71974 6.05528 8.06767 10.8556 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 9.03468 6.1412 8.71974 13.0121 9.91087 10.4719 numMergedOcc 0
27 mol 287 unq 2 iso 0 dist 9.03468 13.2279 8.82649 6.05528 8.06767 10.8866 numMergedOcc 0
28 mol 287 unq 3 iso 0 dist 9.03468 13.2279 8.82649 13.0121 9.91087 6.15828 numMergedOcc 0
29 mol 287 unq 4 iso 0 dist 9.03468 12.5251 7.35776 6.05528 8.06767 7.54288 numMergedOcc 0
30 mol 287 unq 5 iso 0 dist 9.03468 12.5251 7.35776 13.0121 9.91087 13.3294 numMergedOcc 0
31 mol 287 unq 6 iso 0 dist 6.05363 11.8278 8.71974 11.2805 8.06767 10.8556 numMergedOcc 0
32 mol 287 unq 7 iso 0 dist 6.05363 11.8278 8.71974 6.24038 9.91087 10.4719 numMergedOcc 0
33 mol 287 unq 8 iso 0 dist 6.05363 4.22529 8.82649 11.2805 8.06767 10.8866 numMergedOcc 0
34 mol 287 unq 9 iso 0 dist 6.05363 4.22529 8.82649 6.24038 9.91087 6.15828 numMergedOcc 0
35 mol 287 unq 10 iso 0 dist 6.05363 8.19487 7.35776 11.2805 8.06767 7.54288 numMergedOcc 0
36 mol 287 unq 11 iso 0 dist 6.05363 8.19487 7.35776 6.24038 9.91087 13.3294 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 9.03468 6.1412 8.71974 6.05528 8.06767 10.8556 numMergedOcc 0
38 mol 288 unq 1 iso 0 dist 9.03468 6.1412 8.71974 13.0121 9.91087 10.4719 numMergedOcc 0
39 mol 288 unq 2 iso 0 dist 9.03468 13.2279 8.82649 6.05528 8.06767 10.8866 numMergedOcc 0
40 mol 288 unq 3 iso 0 dist 9.03468 13.2279 8.82649 13.0121 9.91087 6.15828 numMergedOcc 0
41 mol 288 unq 4 iso 0 dist 9.03468 12.5251 7.35776 6.05528 8.06767 7.54288 numMergedOcc 0
42 mol 288 unq 5 iso 0 dist 9.03468 12.5251 7.35776 13.0121 9.91087 13.3294 numMergedOcc 0
43 mol 288 unq 6 iso 0 dist 6.05363 11.8278 8.71974 11.2805 8.06767 10.8556 numMergedOcc 0
44 mol 288 unq 7 iso 0 dist 6.05363 11.8278 8.71974 6.24038 9.91087 10.4719 numMergedOcc 0
45 mol 288 unq 8 iso 0 dist 6.05363 4.22529 8.82649 11.2805 8.06767 10.8866 numMergedOcc 0
46 mol 288 unq 9 iso 0 dist 6.05363 4.22529 8.82649 6.24038 9.91087 6.15828 numMergedOcc 0
47 mol 288 unq 10 iso 0 dist 6.05363 8.19487 7.35776 11.2805 8.06767 7.54288 numMergedOcc 0
48 mol 288 unq 11 iso 0 dist 6.05363 8.19487 7.35776 6.24038 9.91087 13.3294 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 9.03468 6.1412 8.71974 6.05528 8.06767 10.8556 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 9.03468 6.1412 8.71974 13.0121 9.91087 10.4719 numMergedOcc 0
51 mol 289 unq 2 iso 0 dist 9.03468 13.2279 8.82649 6.05528 8.06767 10.8866 numMergedOcc 0
52 mol 289 unq 3 iso 0 dist 9.03468 13.2279 8.82649 13.0121 9.91087 6.15828 numMergedOcc 0
53 mol 289 unq 4 iso 0 dist 9.03468 12.5251 7.35776 6.05528 8.06767 7.54288 numMergedOcc 0
54 mol 289 unq 5 iso 0 dist 9.03468 12.5251 7.35776 13.0121 9.91087 13.3294 numMergedOcc 0
55 mol 289 unq 6 iso 0 dist 6.05363 11.8278 8.71974 11.2805 8.06767 10.8556 numMergedOcc 0
56 mol 289 unq 7 iso 0 dist 6.05363 11.8278 8.71974 6.24038 9.91087 10.4719 numMergedOcc 0
57 mol 289 unq 8 iso 0 dist 6.05363 4.22529 8.82649 11.2805 8.06767 10.8866 numMergedOcc 0
58 mol 289 unq 9 iso 0 dist 6.05363 4.22529 8.82649 6.24038 9.91087 6.15828 numMergedOcc 0
59 mol 289 unq 10 iso 0 dist 6.05363 8.19487 7.35776 11.2805 8.06767 7.54288 numMergedOcc 0
60 mol 289 unq 11 iso 0 dist 6.05363 8.19487 7.35776 6.24038 9.91087 13.3294 numMergedOcc 0
