0 mol 16 unq 0 iso 0 dist 5.84479 8.67719 5.32694 5.35079 6.31718 10.9143 6.53177 7.63133 5.46498 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.84479 8.67719 5.32694 6.53177 7.63133 5.46498 5.35079 6.31718 10.9143 10.8455 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.59893 9.06005 13.0997 11.9881 9.5589 11.5304 10.3564 6.83299 13.4839 5.08001 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 6.59893 9.06005 13.0997 10.3564 6.83299 13.4839 11.9881 9.5589 11.5304 5.08001 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.59893 9.06005 13.0997 11.9881 9.5589 11.5304 12.4254 8.10861 19.0928 16.3192 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 6.59893 9.06005 13.0997 12.4254 8.10861 19.0928 11.9881 9.5589 11.5304 16.3192 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.59893 9.06005 13.0997 10.3564 6.83299 13.4839 12.4254 8.10861 19.0928 14.2075 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 6.59893 9.06005 13.0997 12.4254 8.10861 19.0928 10.3564 6.83299 13.4839 14.2075 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.82095 6.27749 6.54743 5.63638 6.65595 8.90863 5.95814 9.25011 10.0828 4.73512 numMergedOcc 0
9 mol 60 unq 0 iso 1 dist 8.82095 6.27749 6.54743 5.95814 9.25011 10.0828 5.63638 6.65595 8.90863 4.73512 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 8.82095 6.27749 6.54743 5.63638 6.65595 8.90863 13.6099 6.43294 11.5843 10.6819 numMergedOcc 0
11 mol 60 unq 1 iso 1 dist 8.82095 6.27749 6.54743 13.6099 6.43294 11.5843 5.63638 6.65595 8.90863 10.6819 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 8.82095 6.27749 6.54743 5.63638 6.65595 8.90863 12.0142 8.52121 12.4757 8.93946 numMergedOcc 0
13 mol 60 unq 2 iso 1 dist 8.82095 6.27749 6.54743 12.0142 8.52121 12.4757 5.63638 6.65595 8.90863 8.93946 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.82095 6.27749 6.54743 5.95814 9.25011 10.0828 13.6099 6.43294 11.5843 11.3621 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 8.82095 6.27749 6.54743 13.6099 6.43294 11.5843 5.95814 9.25011 10.0828 11.3621 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 8.82095 6.27749 6.54743 5.95814 9.25011 10.0828 12.0142 8.52121 12.4757 7.66664 numMergedOcc 0
17 mol 60 unq 2 iso 1 dist 8.82095 6.27749 6.54743 12.0142 8.52121 12.4757 5.95814 9.25011 10.0828 7.66664 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.82095 6.27749 6.54743 13.6099 6.43294 11.5843 12.0142 8.52121 12.4757 5.51199 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 8.82095 6.27749 6.54743 12.0142 8.52121 12.4757 13.6099 6.43294 11.5843 5.51199 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 7.26679 9.68526 15.7123 8.31041 9.96396 9.38498 5.44275 6.19304 10.2049 5.4148 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 7.26679 9.68526 15.7123 5.44275 6.19304 10.2049 8.31041 9.96396 9.38498 5.4148 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 7.26679 9.68526 15.7123 8.31041 9.96396 9.38498 11.2674 8.70481 20.257 14.9342 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 7.26679 9.68526 15.7123 11.2674 8.70481 20.257 8.31041 9.96396 9.38498 14.9342 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 7.26679 9.68526 15.7123 5.44275 6.19304 10.2049 11.2674 8.70481 20.257 13.3558 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 7.26679 9.68526 15.7123 11.2674 8.70481 20.257 5.44275 6.19304 10.2049 13.3558 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 7.26679 9.30776 12.016 8.31041 9.96396 9.75218 5.44275 6.19304 11.6369 5.4148 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 7.26679 9.30776 12.016 5.44275 6.19304 11.6369 8.31041 9.96396 9.75218 5.4148 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 7.26679 9.30776 12.016 8.31041 9.96396 9.75218 11.2674 8.70481 10.1207 14.9342 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 7.26679 9.30776 12.016 11.2674 8.70481 10.1207 8.31041 9.96396 9.75218 14.9342 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 7.26679 9.30776 12.016 5.44275 6.19304 11.6369 11.2674 8.70481 10.1207 13.3558 numMergedOcc 0
31 mol 73 unq 3 iso 1 dist 7.26679 9.30776 12.016 11.2674 8.70481 10.1207 5.44275 6.19304 11.6369 13.3558 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 7.57458 8.48413 7.81981 13.1936 9.2313 14.7391 12.288 7.73169 15.1873 5.50998 numMergedOcc 0
33 mol 142 unq 0 iso 1 dist 7.57458 8.48413 7.81981 12.288 7.73169 15.1873 13.1936 9.2313 14.7391 5.50998 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 7.57458 8.48413 7.81981 13.1936 9.2313 14.7391 14.2067 8.96657 16.6217 11.1395 numMergedOcc 0
35 mol 142 unq 1 iso 1 dist 7.57458 8.48413 7.81981 14.2067 8.96657 16.6217 13.1936 9.2313 14.7391 11.1395 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 7.57458 8.48413 7.81981 12.288 7.73169 15.1873 14.2067 8.96657 16.6217 5.92693 numMergedOcc 0
37 mol 142 unq 1 iso 1 dist 7.57458 8.48413 7.81981 14.2067 8.96657 16.6217 12.288 7.73169 15.1873 5.92693 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 5.08206 9.57611 9.24932 12.1783 9.0018 17.0633 7.28617 5.6234 12.0591 6.2715 numMergedOcc 0
39 mol 175 unq 0 iso 1 dist 5.08206 9.57611 9.24932 7.28617 5.6234 12.0591 12.1783 9.0018 17.0633 6.2715 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 5.08206 9.57611 9.24932 12.1783 9.0018 17.0633 5.77256 6.57069 14.3157 8.16421 numMergedOcc 0
41 mol 175 unq 1 iso 1 dist 5.08206 9.57611 9.24932 5.77256 6.57069 14.3157 12.1783 9.0018 17.0633 8.16421 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 5.08206 9.57611 9.24932 7.28617 5.6234 12.0591 5.77256 6.57069 14.3157 5.35493 numMergedOcc 0
43 mol 175 unq 1 iso 1 dist 5.08206 9.57611 9.24932 5.77256 6.57069 14.3157 7.28617 5.6234 12.0591 5.35493 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 9.33771 7.39839 5.0744 5.41021 8.95269 9.99123 4.91322 6.57273 6.60589 4.70378 numMergedOcc 0
45 mol 224 unq 0 iso 1 dist 9.33771 7.39839 5.0744 4.91322 6.57273 6.60589 5.41021 8.95269 9.99123 4.70378 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 9.33771 7.39839 5.0744 5.41021 8.95269 9.99123 12.979 5.78342 9.16166 11.5372 numMergedOcc 0
47 mol 224 unq 1 iso 1 dist 9.33771 7.39839 5.0744 12.979 5.78342 9.16166 5.41021 8.95269 9.99123 11.5372 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 9.33771 7.39839 5.0744 4.91322 6.57273 6.60589 12.979 5.78342 9.16166 8.49799 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 9.33771 7.39839 5.0744 12.979 5.78342 9.16166 4.91322 6.57273 6.60589 8.49799 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 7.39839 9.33771 5.0744 7.65225 6.65832 10.103 4.91322 6.60589 6.57273 6.77699 numMergedOcc 0
51 mol 224 unq 2 iso 1 dist 7.39839 9.33771 5.0744 4.91322 6.60589 6.57273 7.65225 6.65832 10.103 6.77699 numMergedOcc 0
52 mol 224 unq 3 iso 0 dist 7.39839 9.33771 5.0744 7.65225 6.65832 10.103 12.979 9.16166 5.78342 11.328 numMergedOcc 0
53 mol 224 unq 3 iso 1 dist 7.39839 9.33771 5.0744 12.979 9.16166 5.78342 7.65225 6.65832 10.103 11.328 numMergedOcc 0
54 mol 224 unq 3 iso 0 dist 7.39839 9.33771 5.0744 4.91322 6.60589 6.57273 12.979 9.16166 5.78342 8.49799 numMergedOcc 0
55 mol 224 unq 3 iso 1 dist 7.39839 9.33771 5.0744 12.979 9.16166 5.78342 4.91322 6.60589 6.57273 8.49799 numMergedOcc 0
56 mol 224 unq 4 iso 0 dist 9.79616 9.34636 4.70378 5.63485 6.57273 8.95269 9.36962 6.60589 9.99123 5.0744 numMergedOcc 0
57 mol 224 unq 4 iso 1 dist 9.79616 9.34636 4.70378 9.36962 6.60589 9.99123 5.63485 6.57273 8.95269 5.0744 numMergedOcc 0
58 mol 234 unq 0 iso 0 dist 5.89084 8.47009 7.82322 4.74041 6.56247 9.36357 6.16697 9.45496 6.7625 5.88703 numMergedOcc 0
59 mol 234 unq 0 iso 1 dist 5.89084 8.47009 7.82322 6.16697 9.45496 6.7625 4.74041 6.56247 9.36357 5.88703 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 8.47009 5.89084 7.82322 4.74041 9.36357 6.56247 6.16697 6.7625 9.45496 5.88703 numMergedOcc 0
61 mol 234 unq 1 iso 1 dist 8.47009 5.89084 7.82322 6.16697 6.7625 9.45496 4.74041 9.36357 6.56247 5.88703 numMergedOcc 0
62 mol 236 unq 0 iso 0 dist 8.77254 9.96976 6.99332 5.74377 8.04248 12.2364 10.054 8.35971 14.664 7.43758 numMergedOcc 0
63 mol 236 unq 0 iso 1 dist 8.77254 9.96976 6.99332 10.054 8.35971 14.664 5.74377 8.04248 12.2364 7.43758 numMergedOcc 0
64 mol 249 unq 0 iso 0 dist 7.29898 5.78121 8.34718 6.6173 7.57994 11.7594 8.95486 6.18582 12.2913 5.01979 numMergedOcc 0
65 mol 249 unq 0 iso 1 dist 7.29898 5.78121 8.34718 8.95486 6.18582 12.2913 6.6173 7.57994 11.7594 5.01979 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 6.77279 9.58006 4.69778 7.55268 8.53687 10.5767 5.71237 8.13497 7.88519 10.582 numMergedOcc 0
67 mol 259 unq 0 iso 1 dist 6.77279 9.58006 4.69778 5.71237 8.13497 7.88519 7.55268 8.53687 10.5767 10.582 numMergedOcc 0
68 mol 259 unq 1 iso 0 dist 9.58006 6.77279 4.69778 5.71237 7.88519 8.13497 9.10984 7.84554 9.95973 4.86771 numMergedOcc 0
69 mol 259 unq 1 iso 1 dist 9.58006 6.77279 4.69778 9.10984 7.84554 9.95973 5.71237 7.88519 8.13497 4.86771 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 9.58006 6.77279 4.69778 5.71237 7.88519 8.13497 11.8501 7.46176 10.3935 6.96053 numMergedOcc 0
71 mol 259 unq 2 iso 1 dist 9.58006 6.77279 4.69778 11.8501 7.46176 10.3935 5.71237 7.88519 8.13497 6.96053 numMergedOcc 0
72 mol 259 unq 3 iso 0 dist 9.58006 6.77279 4.69778 5.71237 7.88519 8.13497 13.9868 9.18903 12.6839 10.4881 numMergedOcc 0
73 mol 259 unq 3 iso 1 dist 9.58006 6.77279 4.69778 13.9868 9.18903 12.6839 5.71237 7.88519 8.13497 10.4881 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 9.58006 6.77279 4.69778 9.10984 7.84554 9.95973 11.8501 7.46176 10.3935 7.64658 numMergedOcc 0
75 mol 259 unq 2 iso 1 dist 9.58006 6.77279 4.69778 11.8501 7.46176 10.3935 9.10984 7.84554 9.95973 7.64658 numMergedOcc 0
76 mol 259 unq 3 iso 0 dist 9.58006 6.77279 4.69778 9.10984 7.84554 9.95973 13.9868 9.18903 12.6839 5.87173 numMergedOcc 0
77 mol 259 unq 3 iso 1 dist 9.58006 6.77279 4.69778 13.9868 9.18903 12.6839 9.10984 7.84554 9.95973 5.87173 numMergedOcc 0
78 mol 259 unq 3 iso 0 dist 9.58006 6.77279 4.69778 11.8501 7.46176 10.3935 13.9868 9.18903 12.6839 10.5239 numMergedOcc 0
79 mol 259 unq 3 iso 1 dist 9.58006 6.77279 4.69778 13.9868 9.18903 12.6839 11.8501 7.46176 10.3935 10.5239 numMergedOcc 0
80 mol 276 unq 0 iso 0 dist 9.05218 7.70061 8.56707 5.72513 9.8993 10.033 8.86096 6.87396 12.6292 6.88557 numMergedOcc 0
81 mol 276 unq 0 iso 1 dist 9.05218 7.70061 8.56707 8.86096 6.87396 12.6292 5.72513 9.8993 10.033 6.88557 numMergedOcc 0
