0 mol 55 unq 0 iso 0 dist 8.34632 5.62629 5.20168 7.87739 4.60627 5.55161 9.40104 9.3239 11.447 8.03504 numMergedOcc 0
1 mol 55 unq 0 iso 1 dist 5.62629 8.34632 5.20168 7.87739 5.55161 4.60627 9.40104 11.447 9.3239 8.03504 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 7.12853 5.01302 9.08204 3.843 4.76283 10.8022 6.14513 numMergedOcc 0
3 mol 71 unq 0 iso 1 dist 7.75237 4.87423 8.67175 7.12853 9.08204 5.01302 3.843 10.8022 4.76283 6.14513 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.53504 8.66342 5.47475 5.68894 7.92924 5.4653 12.3241 12.1654 7.02351 6.7939 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 12.3241 7.02351 12.1654 6.7939 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.53504 8.66342 5.47475 5.68894 7.92924 5.4653 9.3197 15.154 13.9009 8.44695 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 9.3197 13.9009 15.154 8.44695 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.53504 8.66342 5.47475 7.32265 8.30433 4.63063 12.3241 12.1654 7.02351 6.85356 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 12.3241 7.02351 12.1654 6.85356 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.53504 7.21285 5.05066 5.68894 7.92924 7.09483 12.3241 12.1654 10.4593 6.7939 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 12.3241 10.4593 12.1654 6.7939 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.53504 7.21285 5.05066 5.68894 7.92924 7.09483 9.3197 15.154 14.8104 8.44695 numMergedOcc 0
13 mol 73 unq 4 iso 1 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 9.3197 14.8104 15.154 8.44695 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 7.53504 7.21285 5.05066 7.32265 8.30433 4.68175 12.3241 12.1654 10.4593 6.85356 numMergedOcc 0
15 mol 73 unq 5 iso 1 dist 7.21285 7.53504 5.05066 7.32265 4.68175 8.30433 12.3241 10.4593 12.1654 6.85356 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 7.53504 6.95094 9.51715 5.68894 7.92924 11.341 12.3241 12.1654 16.7273 6.7939 numMergedOcc 0
17 mol 73 unq 6 iso 1 dist 6.95094 7.53504 9.51715 5.68894 11.341 7.92924 12.3241 16.7273 12.1654 6.7939 numMergedOcc 0
18 mol 73 unq 7 iso 0 dist 7.53504 6.95094 9.51715 5.68894 7.92924 11.341 9.3197 15.154 15.6303 8.44695 numMergedOcc 0
19 mol 73 unq 7 iso 1 dist 6.95094 7.53504 9.51715 5.68894 11.341 7.92924 9.3197 15.6303 15.154 8.44695 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 7.53504 6.95094 9.51715 7.32265 8.30433 10.0459 12.3241 12.1654 16.7273 6.85356 numMergedOcc 0
21 mol 73 unq 8 iso 1 dist 6.95094 7.53504 9.51715 7.32265 10.0459 8.30433 12.3241 16.7273 12.1654 6.85356 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 12.3241 7.02351 10.4593 6.7939 numMergedOcc 0
23 mol 73 unq 3 iso 1 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 12.3241 10.4593 7.02351 6.7939 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 9.3197 13.9009 14.8104 8.44695 numMergedOcc 0
25 mol 73 unq 4 iso 1 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 9.3197 14.8104 13.9009 8.44695 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 12.3241 7.02351 10.4593 6.85356 numMergedOcc 0
27 mol 73 unq 5 iso 1 dist 7.21285 8.66342 4.4628 7.32265 4.68175 4.63063 12.3241 10.4593 7.02351 6.85356 numMergedOcc 0
28 mol 73 unq 6 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 12.3241 7.02351 16.7273 6.7939 numMergedOcc 0
29 mol 73 unq 6 iso 1 dist 6.95094 8.66342 11.6754 5.68894 11.341 5.4653 12.3241 16.7273 7.02351 6.7939 numMergedOcc 0
30 mol 73 unq 7 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 9.3197 13.9009 15.6303 8.44695 numMergedOcc 0
31 mol 73 unq 7 iso 1 dist 6.95094 8.66342 11.6754 5.68894 11.341 5.4653 9.3197 15.6303 13.9009 8.44695 numMergedOcc 0
32 mol 73 unq 8 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 12.3241 7.02351 16.7273 6.85356 numMergedOcc 0
33 mol 73 unq 8 iso 1 dist 6.95094 8.66342 11.6754 7.32265 10.0459 4.63063 12.3241 16.7273 7.02351 6.85356 numMergedOcc 0
34 mol 73 unq 6 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 12.3241 10.4593 16.7273 6.7939 numMergedOcc 0
35 mol 73 unq 6 iso 1 dist 6.95094 7.21285 7.64038 5.68894 11.341 7.09483 12.3241 16.7273 10.4593 6.7939 numMergedOcc 0
36 mol 73 unq 7 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 9.3197 14.8104 15.6303 8.44695 numMergedOcc 0
37 mol 73 unq 7 iso 1 dist 6.95094 7.21285 7.64038 5.68894 11.341 7.09483 9.3197 15.6303 14.8104 8.44695 numMergedOcc 0
38 mol 73 unq 8 iso 0 dist 7.21285 6.95094 7.64038 7.32265 4.68175 10.0459 12.3241 10.4593 16.7273 6.85356 numMergedOcc 0
39 mol 73 unq 8 iso 1 dist 6.95094 7.21285 7.64038 7.32265 10.0459 4.68175 12.3241 16.7273 10.4593 6.85356 numMergedOcc 0
40 mol 98 unq 0 iso 0 dist 8.87856 6.2491 11.9551 6.62952 11.2334 7.89992 5.4823 11.3126 3.59451 4.3521 numMergedOcc 0
41 mol 98 unq 0 iso 1 dist 6.2491 8.87856 11.9551 6.62952 7.89992 11.2334 5.4823 3.59451 11.3126 4.3521 numMergedOcc 0
42 mol 101 unq 0 iso 0 dist 9.1109 5.51185 6.8125 7.11476 4.39441 4.84084 6.21457 12.68 10.3452 9.60223 numMergedOcc 0
43 mol 101 unq 0 iso 1 dist 5.51185 9.1109 6.8125 7.11476 4.84084 4.39441 6.21457 10.3452 12.68 9.60223 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 7.94564 9.21999 5.63574 6.00896 6.01484 10.6104 10.0801 14.1149 18.1155 8.15734 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 9.21999 7.94564 5.63574 6.00896 10.6104 6.01484 10.0801 18.1155 14.1149 8.15734 numMergedOcc 0
46 mol 210 unq 0 iso 0 dist 7.68078 9.26518 14.3861 8.94889 12.3142 13.7365 8.21472 14.5232 14.1507 8.50367 numMergedOcc 0
47 mol 210 unq 0 iso 1 dist 9.26518 7.68078 14.3861 8.94889 13.7365 12.3142 8.21472 14.1507 14.5232 8.50367 numMergedOcc 0
48 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 8.66183 13.6185 4.53525 5.61401 14.6156 10.2532 9.26774 numMergedOcc 0
49 mol 211 unq 0 iso 1 dist 7.14732 9.45365 9.23863 8.66183 4.53525 13.6185 5.61401 10.2532 14.6156 9.26774 numMergedOcc 0
50 mol 223 unq 0 iso 0 dist 9.86372 7.70946 4.44825 7.76053 8.36102 5.43913 7.55127 15.8519 12.2562 9.65728 numMergedOcc 0
51 mol 223 unq 0 iso 1 dist 7.70946 9.86372 4.44825 7.76053 5.43913 8.36102 7.55127 12.2562 15.8519 9.65728 numMergedOcc 0
52 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 9.32781 4.85368 7.91665 10.6003 9.27643 12.9267 7.66323 numMergedOcc 0
53 mol 230 unq 0 iso 1 dist 6.73755 5.00735 5.38279 9.32781 7.91665 4.85368 10.6003 12.9267 9.27643 7.66323 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 8.83777 9.42812 11.4925 6.40125 6.08499 10.3278 11.8204 12.7326 15.5229 7.25282 numMergedOcc 0
55 mol 277 unq 0 iso 1 dist 9.42812 8.83777 11.4925 6.40125 10.3278 6.08499 11.8204 15.5229 12.7326 7.25282 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 8.18179 7.45556 11.5781 7.14122 10.2078 4.8005 7.00034 8.87355 12.022 8.52827 numMergedOcc 0
57 mol 279 unq 0 iso 1 dist 7.45556 8.18179 11.5781 7.14122 4.8005 10.2078 7.00034 12.022 8.87355 8.52827 numMergedOcc 0
58 mol 279 unq 1 iso 0 dist 8.18179 5.25218 11.6836 7.14122 10.2078 8.61009 7.00034 8.87355 12.0184 8.52827 numMergedOcc 0
59 mol 279 unq 1 iso 1 dist 5.25218 8.18179 11.6836 7.14122 8.61009 10.2078 7.00034 12.0184 8.87355 8.52827 numMergedOcc 0
60 mol 279 unq 1 iso 0 dist 7.45556 5.25218 5.67158 7.14122 4.8005 8.61009 7.00034 12.022 12.0184 8.52827 numMergedOcc 0
61 mol 279 unq 1 iso 1 dist 5.25218 7.45556 5.67158 7.14122 8.61009 4.8005 7.00034 12.0184 12.022 8.52827 numMergedOcc 0
