0 mol 14 unq 0 iso 0 dist 8.73627 8.69369 5.38909 9.18933 6.38364 10.7133 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 8.67719 5.32694 5.35079 6.31718 10.9143 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.84479 8.67719 5.32694 6.53177 7.63133 5.46498 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.67719 5.84479 5.32694 6.53177 5.46498 7.63133 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.59893 9.06005 13.0997 11.9881 9.5589 11.5304 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.59893 9.06005 13.0997 10.3564 6.83299 13.4839 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 6.59893 9.06005 13.0997 12.4254 8.10861 19.0928 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.84983 9.56737 4.81926 11.5882 6.62496 6.35756 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.56737 7.84983 4.81926 11.5882 6.35756 6.62496 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 8.82095 6.27749 6.54743 5.63638 6.65595 8.90863 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.82095 6.27749 6.54743 5.95814 9.25011 10.0828 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 8.82095 6.27749 6.54743 13.6099 6.43294 11.5843 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 8.82095 6.27749 6.54743 12.0142 8.52121 12.4757 numMergedOcc 0
13 mol 60 unq 4 iso 0 dist 6.27749 8.82095 6.54743 5.63638 8.90863 6.65595 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.68526 7.26679 15.7123 8.31041 9.38498 9.96396 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 9.68526 9.30776 13.7412 8.31041 9.38498 9.75218 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 9.72442 9.02288 17.8791 11.7069 9.38498 17.8376 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.26679 9.68526 15.7123 8.31041 9.96396 9.38498 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 7.26679 9.68526 15.7123 5.44275 6.19304 10.2049 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 7.26679 9.68526 15.7123 11.2674 8.70481 20.257 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 7.26679 9.30776 12.016 8.31041 9.96396 9.75218 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 7.26679 9.30776 12.016 5.44275 6.19304 11.6369 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 7.26679 9.30776 12.016 11.2674 8.70481 10.1207 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 9.30776 9.68526 13.7412 8.31041 9.75218 9.38498 numMergedOcc 0
24 mol 73 unq 10 iso 0 dist 9.30776 7.26679 12.016 8.31041 9.75218 9.96396 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 9.514 7.84888 5.02055 11.8037 7.4729 11.862 numMergedOcc 0
26 mol 102 unq 0 iso 0 dist 9.80678 9.43411 9.15076 5.54551 7.36792 12.0341 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 8.21889 9.74643 7 5.5332 7.34473 8.58044 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 8.21889 6.86702 8.40993 5.5332 7.34473 9.97763 numMergedOcc 0
29 mol 109 unq 2 iso 0 dist 9.74643 8.21889 7 5.5332 8.58044 7.34473 numMergedOcc 0
30 mol 109 unq 3 iso 0 dist 9.74643 6.86702 6.94915 5.5332 8.58044 9.97763 numMergedOcc 0
31 mol 109 unq 4 iso 0 dist 6.86702 8.21889 8.40993 5.5332 9.97763 7.34473 numMergedOcc 0
32 mol 109 unq 5 iso 0 dist 6.86702 9.74643 6.94915 5.5332 9.97763 8.58044 numMergedOcc 0
33 mol 114 unq 0 iso 0 dist 8.42445 7.25166 11.6284 7.18757 7.5732 12.6649 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 7.83619 8.54461 8.38345 10.0837 9.28393 14.387 numMergedOcc 0
35 mol 142 unq 0 iso 0 dist 7.57458 8.48413 7.81981 13.1936 9.2313 14.7391 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 7.57458 8.48413 7.81981 12.288 7.73169 15.1873 numMergedOcc 0
37 mol 142 unq 2 iso 0 dist 7.57458 8.48413 7.81981 14.2067 8.96657 16.6217 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 5.08206 9.57611 9.24932 12.1783 9.0018 17.0633 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 5.08206 9.57611 9.24932 7.28617 5.6234 12.0591 numMergedOcc 0
40 mol 175 unq 2 iso 0 dist 5.08206 9.57611 9.24932 5.77256 6.57069 14.3157 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 9.34636 9.79616 4.70378 5.63485 8.95269 6.57273 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 9.33771 7.39839 5.0744 5.41021 8.95269 9.99123 numMergedOcc 0
43 mol 224 unq 2 iso 0 dist 9.33771 7.39839 5.0744 4.91322 6.57273 6.60589 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 9.33771 7.39839 5.0744 12.979 5.78342 9.16166 numMergedOcc 0
45 mol 224 unq 4 iso 0 dist 7.39839 9.33771 5.0744 7.65225 6.65832 10.103 numMergedOcc 0
46 mol 224 unq 5 iso 0 dist 7.39839 9.33771 5.0744 4.91322 6.60589 6.57273 numMergedOcc 0
47 mol 224 unq 6 iso 0 dist 7.39839 9.33771 5.0744 12.979 9.16166 5.78342 numMergedOcc 0
48 mol 224 unq 7 iso 0 dist 9.79616 9.34636 4.70378 5.63485 6.57273 8.95269 numMergedOcc 0
49 mol 224 unq 8 iso 0 dist 9.79616 9.34636 4.70378 9.36962 6.60589 9.99123 numMergedOcc 0
50 mol 231 unq 0 iso 0 dist 7.79865 6.14348 4.06055 5.3251 7.37839 8.40182 numMergedOcc 0
51 mol 231 unq 1 iso 0 dist 6.14348 7.79865 4.06055 5.3251 8.40182 7.37839 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 5.89084 8.47009 7.82322 4.74041 6.56247 9.36357 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 5.89084 8.47009 7.82322 6.16697 9.45496 6.7625 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 8.47009 5.89084 7.82322 4.74041 9.36357 6.56247 numMergedOcc 0
55 mol 234 unq 3 iso 0 dist 8.47009 5.89084 7.82322 6.16697 6.7625 9.45496 numMergedOcc 0
56 mol 236 unq 0 iso 0 dist 8.77254 9.96976 6.99332 5.74377 8.04248 12.2364 numMergedOcc 0
57 mol 236 unq 1 iso 0 dist 8.77254 9.96976 6.99332 10.054 8.35971 14.664 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.83152 5.24313 5.42006 10.8336 6.57393 11.101 numMergedOcc 0
59 mol 238 unq 1 iso 0 dist 5.24313 6.83152 5.42006 12.1448 7.31233 10.0756 numMergedOcc 0
60 mol 249 unq 0 iso 0 dist 7.29898 5.78121 8.34718 6.6173 7.57994 11.7594 numMergedOcc 0
61 mol 249 unq 1 iso 0 dist 7.29898 5.78121 8.34718 8.95486 6.18582 12.2913 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 5.81927 6.09782 4.26007 9.49027 6.97229 10.9661 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 6.77279 9.58006 4.69778 7.55268 8.53687 10.5767 numMergedOcc 0
64 mol 259 unq 1 iso 0 dist 6.77279 9.58006 4.69778 5.71237 8.13497 7.88519 numMergedOcc 0
65 mol 259 unq 2 iso 0 dist 9.58006 6.77279 4.69778 5.71237 7.88519 8.13497 numMergedOcc 0
66 mol 259 unq 3 iso 0 dist 9.58006 6.77279 4.69778 9.10984 7.84554 9.95973 numMergedOcc 0
67 mol 259 unq 4 iso 0 dist 9.58006 6.77279 4.69778 11.8501 7.46176 10.3935 numMergedOcc 0
68 mol 259 unq 5 iso 0 dist 9.58006 6.77279 4.69778 13.9868 9.18903 12.6839 numMergedOcc 0
69 mol 274 unq 0 iso 0 dist 7.80446 9.86142 5.34251 6.57235 9.10818 13.0736 numMergedOcc 0
70 mol 276 unq 0 iso 0 dist 9.05218 7.70061 8.56707 5.72513 9.8993 10.033 numMergedOcc 0
71 mol 276 unq 1 iso 0 dist 9.05218 7.70061 8.56707 8.86096 6.87396 12.6292 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 6.90434 8.57532 12.7728 13.2927 9.7748 19.7909 numMergedOcc 0
73 mol 277 unq 1 iso 0 dist 6.90434 9.02914 7.08227 13.2927 9.7748 16.3537 numMergedOcc 0
