0 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.53564 7.62469 6.44784 5.90113 9.74445 10.0804 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 5.65405 5.59773 9.89662 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 6.10175 7.4038 11.8364 5.65405 5.59773 11.7963 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 5.62629 7.87739 5.55161 5.33255 9.70148 8.94235 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 13.6586 9.68526 14.8693 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 4.15333 9.30776 10.5158 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 13.6586 9.68526 11.7079 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.02351 6.85356 4.63063 10.3774 7.26679 10.396 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.02351 6.85356 4.63063 4.15333 9.30776 10.4252 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 7.53504 7.32265 8.30433 9.64124 6.89722 10.396 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 8.66342 5.68894 5.4653 16.8585 9.68526 14.8693 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 8.66342 5.68894 5.4653 16.0481 9.30776 10.5158 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 8.66342 7.32265 4.63063 16.8585 9.68526 11.7079 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 8.66342 7.32265 4.63063 9.64124 7.26679 10.396 numMergedOcc 0
18 mol 73 unq 13 iso 0 dist 8.66342 7.32265 4.63063 16.0481 9.30776 10.4252 numMergedOcc 0
19 mol 73 unq 14 iso 0 dist 7.21285 5.68894 7.09483 16.8585 9.72442 14.8693 numMergedOcc 0
20 mol 73 unq 15 iso 0 dist 7.21285 5.68894 7.09483 4.91508 9.02288 5.36012 numMergedOcc 0
21 mol 73 unq 16 iso 0 dist 7.21285 7.32265 4.68175 16.8585 9.72442 11.7079 numMergedOcc 0
22 mol 73 unq 17 iso 0 dist 7.21285 7.32265 4.68175 4.91508 9.02288 6.3777 numMergedOcc 0
23 mol 73 unq 18 iso 0 dist 6.95094 5.68894 11.341 4.91508 9.58544 5.36012 numMergedOcc 0
24 mol 73 unq 19 iso 0 dist 6.95094 7.32265 10.0459 4.91508 9.58544 6.3777 numMergedOcc 0
25 mol 101 unq 0 iso 0 dist 5.51185 7.11476 4.84084 9.11989 8.77773 13.2895 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 8.592 8.75093 5.53478 4.24853 7.25166 8.14429 numMergedOcc 0
27 mol 114 unq 1 iso 0 dist 8.592 8.75093 5.53478 9.52181 8.42445 10.8086 numMergedOcc 0
28 mol 126 unq 0 iso 0 dist 9.40608 9.63161 5.18899 5.50061 9.54928 10.2273 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 10.106 8.48413 13.55 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 9.5355 7.21779 7.46089 8.68855 7.57458 10.1001 numMergedOcc 0
31 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 8.67807 8.15275 5.46023 11.932 8.76218 12.1323 numMergedOcc 0
33 mol 175 unq 0 iso 0 dist 8.39634 8.09309 10.2448 9.72213 9.00898 11.6161 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 7.42296 7.07183 11.6539 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 7.06533 7.41663 8.82544 8.60418 7.07183 11.6539 numMergedOcc 0
36 mol 205 unq 2 iso 0 dist 5.94835 7.09439 5.16703 5.30941 7.07183 9.74671 numMergedOcc 0
37 mol 211 unq 0 iso 0 dist 9.45365 8.66183 13.6185 8.91121 8.63308 14.3593 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 4.3362 6.89587 5.7733 9.20027 7.31105 12.2813 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 7.46044 5.07376 4.49347 13.1803 9.75313 12.6229 numMergedOcc 0
41 mol 224 unq 1 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 numMergedOcc 0
42 mol 224 unq 2 iso 0 dist 9.06201 8.96263 9.9943 13.0574 9.79616 11.5265 numMergedOcc 0
43 mol 224 unq 3 iso 0 dist 9.06201 7.35677 7.83342 11.9904 9.34636 10.6915 numMergedOcc 0
44 mol 224 unq 4 iso 0 dist 9.06201 7.35677 7.83342 13.0574 9.79616 13.7347 numMergedOcc 0
45 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 10.78 9.5723 9.14028 numMergedOcc 0
46 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 6.33989 8.43766 10.0551 numMergedOcc 0
47 mol 230 unq 1 iso 0 dist 9.27643 7.66323 4.85368 6.63414 8.43766 10.0551 numMergedOcc 0
48 mol 235 unq 0 iso 0 dist 7.52696 7.30003 4.81997 8.38435 7.2346 8.69551 numMergedOcc 0
49 mol 239 unq 0 iso 0 dist 8.78008 7.80073 8.20191 10.9742 9.37996 15.5483 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 5.68749 7.66519 8.98788 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 6.59521 9.65711 9.46467 5.13233 8.58088 10.0455 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 5.96276 9.78704 7.53628 5.55516 5.90381 6.11671 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.42812 6.40125 10.3278 10.7202 8.57532 10.7815 numMergedOcc 0
55 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 17.0927 9.02914 17.4393 numMergedOcc 0
56 mol 277 unq 2 iso 0 dist 9.42812 6.40125 10.3278 16.2915 6.90434 16.0291 numMergedOcc 0
57 mol 280 unq 0 iso 0 dist 9.9227 6.38295 11.4101 5.80223 8.85762 7.96485 numMergedOcc 0
