0 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.3524 6.70071 6.56335 7.40724 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 14.4709 17.7956 17.0926 9.25649 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 14.7942 15.23 13.664 9.36104 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 8.46482 7.22293 7.98917 13.6082 8.42713 10.7271 8.87194 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 13.6082 8.42713 10.255 8.87194 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 6.56728 5.29763 5.73196 8.46482 7.22293 6.47779 13.6082 8.42713 12.6146 8.87194 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 16.4092 12.7179 17.7572 9.05798 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 10.4602 4.91132 8.56342 5.85818 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 13.5057 10.5813 8.03442 7.1372 numMergedOcc 0
9 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 13.5057 10.5813 12.2278 7.1372 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 6.06422 5.33697 6.57393 5.58989 5.38637 6.20606 14.1251 11.1167 13.7544 8.6597 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 9.91577 13.0113 11.9624 6.89694 numMergedOcc 0
12 mol 238 unq 2 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 11.1268 10.216 5.64181 6.44735 numMergedOcc 0
13 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 11.1268 7.83352 5.64181 8.6597 numMergedOcc 0
14 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 11.1268 7.83352 5.64181 7.47235 numMergedOcc 0
15 mol 238 unq 5 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 9.91577 11.0349 11.9624 7.61203 numMergedOcc 0
16 mol 238 unq 6 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 9.91577 11.0349 11.9624 6.89694 numMergedOcc 0
17 mol 238 unq 7 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 11.1268 7.83352 5.64181 6.44735 numMergedOcc 0
18 mol 238 unq 8 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 13.0548 13.0113 11.9624 6.89694 numMergedOcc 0
19 mol 238 unq 9 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.4767 10.216 5.64181 6.44735 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 11.6409 9.32326 6.11473 6.57207 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 6.97105 5.89666 8.47784 5.2361 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 11.6409 9.32326 10.7615 6.57207 numMergedOcc 0
23 mol 252 unq 3 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 6.97105 5.89666 12.0482 5.2361 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 8.30744 7.31951 8.59697 6.39918 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 5.74092 7.47164 7.49174 10.7186 6.04016 5.26434 9.24121 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 5.74092 7.47164 5.22253 10.7186 6.04016 8.60026 9.24121 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 5.91451 6.16449 4.72202 4.80092 4.86504 9.64269 7.55161 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 5.91451 6.16449 8.52877 4.80092 4.86504 8.46061 7.55161 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 8.83775 4.66992 8.44326 9.59763 6.35287 6.07447 10.2559 6.54009 10.8604 9.48589 numMergedOcc 0
