0 mol 55 unq 0 iso 0 dist 5.62629 8.34632 5.20168 7.87739 5.55161 4.60627 5.33255 9.70148 11.2187 8.94235 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.53504 8.66342 5.47475 5.68894 7.92924 5.4653 9.64124 6.89722 7.26679 7.23812 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.53504 8.66342 5.47475 7.32265 8.30433 4.63063 9.64124 6.89722 7.26679 10.396 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 7.53504 7.21285 5.05066 5.68894 7.92924 7.09483 9.64124 6.89722 10.1503 7.23812 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.53504 7.21285 5.05066 7.32265 8.30433 4.68175 9.64124 6.89722 10.1503 10.396 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.53504 6.95094 9.51715 5.68894 7.92924 11.341 9.64124 6.89722 14.918 7.23812 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 7.53504 6.95094 9.51715 7.32265 8.30433 10.0459 9.64124 6.89722 14.918 10.396 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 16.8585 9.68526 11.7436 14.8693 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 9.64124 7.26679 6.89722 7.23812 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 8.66342 7.53504 5.47475 5.68894 5.4653 7.92924 16.0481 9.30776 14.4206 10.5158 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 16.8585 9.68526 11.7436 11.7079 numMergedOcc 0
11 mol 73 unq 10 iso 0 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 9.64124 7.26679 6.89722 10.396 numMergedOcc 0
12 mol 73 unq 11 iso 0 dist 8.66342 7.53504 5.47475 7.32265 4.63063 8.30433 16.0481 9.30776 14.4206 10.4252 numMergedOcc 0
13 mol 73 unq 12 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 16.8585 9.68526 9.72442 14.8693 numMergedOcc 0
14 mol 73 unq 13 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 9.64124 7.26679 10.1503 7.23812 numMergedOcc 0
15 mol 73 unq 14 iso 0 dist 8.66342 7.21285 4.4628 5.68894 5.4653 7.09483 16.0481 9.30776 13.2514 10.5158 numMergedOcc 0
16 mol 73 unq 15 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 16.8585 9.68526 9.72442 11.7079 numMergedOcc 0
17 mol 73 unq 16 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 9.64124 7.26679 10.1503 10.396 numMergedOcc 0
18 mol 73 unq 17 iso 0 dist 8.66342 7.21285 4.4628 7.32265 4.63063 4.68175 16.0481 9.30776 13.2514 10.4252 numMergedOcc 0
19 mol 73 unq 18 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 16.8585 9.68526 16.0684 14.8693 numMergedOcc 0
20 mol 73 unq 19 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 9.64124 7.26679 14.918 7.23812 numMergedOcc 0
21 mol 73 unq 20 iso 0 dist 8.66342 6.95094 11.6754 5.68894 5.4653 11.341 16.0481 9.30776 20.2103 10.5158 numMergedOcc 0
22 mol 73 unq 21 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 16.8585 9.68526 16.0684 11.7079 numMergedOcc 0
23 mol 73 unq 22 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 9.64124 7.26679 14.918 10.396 numMergedOcc 0
24 mol 73 unq 23 iso 0 dist 8.66342 6.95094 11.6754 7.32265 4.63063 10.0459 16.0481 9.30776 20.2103 10.4252 numMergedOcc 0
25 mol 73 unq 24 iso 0 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 16.8585 9.72442 11.7436 14.8693 numMergedOcc 0
26 mol 73 unq 25 iso 0 dist 7.21285 7.53504 5.05066 5.68894 7.09483 7.92924 4.91508 9.02288 11.1478 5.36012 numMergedOcc 0
27 mol 73 unq 26 iso 0 dist 7.21285 7.53504 5.05066 7.32265 4.68175 8.30433 16.8585 9.72442 11.7436 11.7079 numMergedOcc 0
28 mol 73 unq 27 iso 0 dist 7.21285 7.53504 5.05066 7.32265 4.68175 8.30433 4.91508 9.02288 11.1478 6.3777 numMergedOcc 0
29 mol 73 unq 28 iso 0 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 16.8585 9.72442 9.68526 14.8693 numMergedOcc 0
30 mol 73 unq 29 iso 0 dist 7.21285 8.66342 4.4628 5.68894 7.09483 5.4653 4.91508 9.02288 9.75201 5.36012 numMergedOcc 0
31 mol 73 unq 30 iso 0 dist 7.21285 8.66342 4.4628 7.32265 4.68175 4.63063 16.8585 9.72442 9.68526 11.7079 numMergedOcc 0
32 mol 73 unq 31 iso 0 dist 7.21285 8.66342 4.4628 7.32265 4.68175 4.63063 4.91508 9.02288 9.75201 6.3777 numMergedOcc 0
33 mol 73 unq 32 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 16.8585 9.72442 16.0684 14.8693 numMergedOcc 0
34 mol 73 unq 33 iso 0 dist 7.21285 6.95094 7.64038 5.68894 7.09483 11.341 4.91508 9.02288 9.58544 5.36012 numMergedOcc 0
35 mol 73 unq 34 iso 0 dist 7.21285 6.95094 7.64038 7.32265 4.68175 10.0459 16.8585 9.72442 16.0684 11.7079 numMergedOcc 0
36 mol 73 unq 35 iso 0 dist 7.21285 6.95094 7.64038 7.32265 4.68175 10.0459 4.91508 9.02288 9.58544 6.3777 numMergedOcc 0
37 mol 73 unq 36 iso 0 dist 6.95094 7.53504 9.51715 5.68894 11.341 7.92924 4.91508 9.58544 11.1478 5.36012 numMergedOcc 0
38 mol 73 unq 37 iso 0 dist 6.95094 7.53504 9.51715 7.32265 10.0459 8.30433 4.91508 9.58544 11.1478 6.3777 numMergedOcc 0
39 mol 73 unq 38 iso 0 dist 6.95094 8.66342 11.6754 5.68894 11.341 5.4653 4.91508 9.58544 9.75201 5.36012 numMergedOcc 0
40 mol 73 unq 39 iso 0 dist 6.95094 8.66342 11.6754 7.32265 10.0459 4.63063 4.91508 9.58544 9.75201 6.3777 numMergedOcc 0
41 mol 73 unq 40 iso 0 dist 6.95094 7.21285 7.64038 5.68894 11.341 7.09483 4.91508 9.58544 9.02288 5.36012 numMergedOcc 0
42 mol 73 unq 41 iso 0 dist 6.95094 7.21285 7.64038 7.32265 10.0459 4.68175 4.91508 9.58544 9.02288 6.3777 numMergedOcc 0
43 mol 101 unq 0 iso 0 dist 5.51185 9.1109 6.8125 7.11476 4.84084 4.39441 9.11989 8.77773 15.3164 13.2895 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 7.09439 5.16703 6.81258 5.30941 7.07183 11.098 9.74671 numMergedOcc 0
45 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 8.66183 13.6185 4.53525 8.91121 8.63308 11.6517 14.3593 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 4.3362 5.51565 5.88344 6.89587 5.7733 4.4922 9.20027 7.31105 10.2676 12.2813 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 7.46044 9.92947 16.6444 5.07376 4.49347 12.9085 13.1803 9.75313 22.9005 12.6229 numMergedOcc 0
48 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 9.32781 4.85368 7.91665 6.33989 8.43766 10.6474 10.0551 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 6.40125 10.3278 6.08499 10.7202 8.57532 15.5558 10.7815 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 9.42812 8.83777 11.4925 6.40125 10.3278 6.08499 17.0927 9.02914 19.9278 17.4393 numMergedOcc 0
51 mol 277 unq 2 iso 0 dist 9.42812 8.83777 11.4925 6.40125 10.3278 6.08499 16.2915 6.90434 16.3185 16.0291 numMergedOcc 0
52 mol 280 unq 0 iso 0 dist 9.9227 9.047 11.5166 6.38295 11.4101 14.0927 5.80223 8.85762 13.1827 7.96485 numMergedOcc 0
