0 mol 16 unq 0 iso 0 dist 6.84569 6.32814 8.41862 10.3524 6.70071 7.40724 5.46269 5.46498 6.73355 6.56335 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.84569 6.32814 8.41862 10.3524 6.70071 7.40724 7.89215 9.80614 4.77289 7.2668 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 10.4602 4.91132 5.85818 10.6442 10.3704 7.36192 7.99857 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 10.4602 4.91132 5.85818 10.5726 8.73993 10.6679 8.56342 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 6.87299 5.16833 8.33261 11.7393 12.6979 7.01133 14.9284 17.5352 10.1972 5.49226 numMergedOcc 0
5 mol 147 unq 1 iso 0 dist 6.87299 5.16833 8.33261 11.7393 12.6979 7.01133 13.5764 14.5625 8.54341 6.28351 numMergedOcc 0
6 mol 198 unq 0 iso 0 dist 7.75394 6.06154 7.90031 11.5348 6.74772 8.15936 11.7427 12.0399 5.72073 9.18635 numMergedOcc 0
7 mol 198 unq 1 iso 0 dist 7.75394 6.06154 7.90031 11.5348 6.74772 8.15936 15.5682 13.7844 12.2117 8.10985 numMergedOcc 0
8 mol 198 unq 2 iso 0 dist 7.75394 4.83589 7.21533 11.5348 6.74772 8.16598 11.7427 12.0399 9.94078 9.18635 numMergedOcc 0
9 mol 198 unq 3 iso 0 dist 7.75394 4.83589 7.21533 11.5348 6.74772 8.16598 15.5682 13.7844 10.8191 8.10985 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 8.2088 7.85937 7.13323 16.2236 9.8301 9.67381 15.2473 12.8943 7.47048 8.06216 numMergedOcc 0
11 mol 218 unq 1 iso 0 dist 8.2088 7.85937 7.13323 13.1611 9.97783 6.61099 14.9459 14.6103 8.36122 6.29367 numMergedOcc 0
12 mol 218 unq 2 iso 0 dist 8.2088 7.85937 7.13323 13.1611 9.97783 6.61099 15.2473 12.8943 7.47048 5.76954 numMergedOcc 0
13 mol 218 unq 3 iso 0 dist 8.2088 7.85937 7.13323 13.1611 9.97783 6.61099 20.3048 18.1262 12.7963 9.20961 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 13.5057 10.5813 7.1372 7.51316 7.22101 6.43754 8.03442 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 14.1251 11.1167 8.6597 15.0824 10.0756 10.4664 5.64181 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.06422 5.58989 5.38637 14.1251 11.1167 8.6597 18.4795 14.6071 13.3539 7.61393 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 7.61478 5.92575 8.96531 11.0457 7.69482 7.47235 15.2667 12.4767 11.2717 5.64181 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 7.61478 5.92575 8.96531 11.0457 7.69482 7.47235 18.58 13.6867 14.7509 7.61393 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 5.67917 10.761 9.90142 14.5395 10.7508 6.92409 18.5115 13.6591 12.3042 5.52379 numMergedOcc 0
20 mol 238 unq 5 iso 0 dist 8.96639 12.8735 9.68513 14.5395 5.87253 9.47845 18.5115 10.0419 13.9614 5.52379 numMergedOcc 0
21 mol 238 unq 6 iso 0 dist 8.96639 10.761 5.9216 14.5395 5.87253 6.92409 18.5115 10.0419 12.3042 5.52379 numMergedOcc 0
22 mol 238 unq 7 iso 0 dist 4.87108 5.61491 7.49471 9.91577 13.0113 6.89694 6.81118 11.0896 5.54325 5.52379 numMergedOcc 0
23 mol 238 unq 8 iso 0 dist 4.87108 5.61491 7.49471 11.1268 10.216 6.44735 7.45873 6.22714 5.17471 5.64181 numMergedOcc 0
24 mol 238 unq 9 iso 0 dist 4.87108 5.61491 7.49471 11.1268 10.216 6.44735 14.1094 12.6642 10.7999 7.61393 numMergedOcc 0
25 mol 238 unq 10 iso 0 dist 7.64276 13.9044 6.55759 11.1268 7.83352 8.6597 7.45873 7.31233 10.4664 5.64181 numMergedOcc 0
26 mol 238 unq 11 iso 0 dist 7.64276 13.9044 6.55759 11.1268 7.83352 8.6597 14.1094 13.1583 13.3539 7.61393 numMergedOcc 0
27 mol 238 unq 12 iso 0 dist 7.64276 13.3748 7.02475 11.1268 7.83352 7.47235 7.45873 7.31233 11.2717 5.64181 numMergedOcc 0
28 mol 238 unq 13 iso 0 dist 7.64276 13.3748 7.02475 11.1268 7.83352 7.47235 14.1094 13.1583 14.7509 7.61393 numMergedOcc 0
29 mol 238 unq 14 iso 0 dist 7.64276 11.6924 7.67322 9.91577 11.0349 7.61203 6.81118 11.5794 11.6239 5.52379 numMergedOcc 0
30 mol 238 unq 15 iso 0 dist 7.64276 5.61491 7.19008 9.91577 11.0349 6.89694 6.81118 11.5794 5.54325 5.52379 numMergedOcc 0
31 mol 238 unq 16 iso 0 dist 7.64276 5.61491 7.19008 11.1268 7.83352 6.44735 7.45873 7.31233 5.17471 5.64181 numMergedOcc 0
32 mol 238 unq 17 iso 0 dist 7.64276 5.61491 7.19008 11.1268 7.83352 6.44735 14.1094 13.1583 10.7999 7.61393 numMergedOcc 0
33 mol 238 unq 18 iso 0 dist 6.54455 6.74728 7.49471 13.0548 13.0113 6.89694 9.12119 11.0896 5.54325 5.52379 numMergedOcc 0
34 mol 238 unq 19 iso 0 dist 6.54455 6.74728 7.49471 10.4767 10.216 6.44735 5.17954 6.22714 5.17471 5.64181 numMergedOcc 0
35 mol 238 unq 20 iso 0 dist 6.54455 6.74728 7.49471 10.4767 10.216 6.44735 10.061 12.6642 10.7999 7.61393 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 7.93609 5.3935 7.66365 11.6409 9.32326 6.57207 7.59919 8.1148 4.23801 6.11473 numMergedOcc 0
37 mol 252 unq 1 iso 0 dist 7.93609 5.3935 7.66365 6.97105 5.89666 5.2361 7.59919 8.1148 4.23801 8.47784 numMergedOcc 0
38 mol 252 unq 2 iso 0 dist 7.93609 5.3935 7.66365 6.97105 5.89666 5.2361 10.251 14.2744 9.12442 8.66469 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 8.30744 7.31951 6.39918 11.2159 11.858 5.79468 8.55558 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 8.57619 5.4536 8.37865 8.30744 7.31951 6.39918 5.43184 5.30224 5.31048 8.59697 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 6.82526 5.74092 7.47164 10.7186 6.04016 9.24121 10.9571 9.14619 7.49174 5.26434 numMergedOcc 0
42 mol 261 unq 1 iso 0 dist 6.82526 5.74092 7.47164 10.7186 6.04016 9.24121 10.3274 8.45658 5.22253 8.60026 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 7.31993 5.91451 6.16449 4.80092 4.86504 7.55161 7.33684 9.97651 4.72202 9.64269 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 7.31993 5.91451 6.16449 4.80092 4.86504 7.55161 6.40917 10.1698 8.5751 6.88809 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 7.31993 5.91451 6.16449 4.80092 4.86504 7.55161 10.4451 8.46116 8.52877 8.46061 numMergedOcc 0
