0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 9.83355 9.19662 6.26831 11.3895 14.3013 10.3034 7.48645 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 10.3524 6.70071 6.56335 6.32814 8.41862 6.73355 7.40724 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.7923 5.97304 6.60423 20.5 12.4274 5.39241 8.62284 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 16.1374 14.0269 10.0197 9.87025 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 10.06 9.63176 10.6679 5.85818 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.4129 13.8722 6.51749 7.55781 10.2276 5.4601 7.345 numMergedOcc 0
6 mol 181 unq 1 iso 0 dist 8.90247 5.114 9.1374 11.4129 13.8722 6.51749 12.8388 10.7636 10.0524 9.52987 numMergedOcc 0
7 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 13.5057 10.5813 8.03442 7.35206 8.17891 6.43754 7.1372 numMergedOcc 0
8 mol 227 unq 1 iso 0 dist 7.71761 5.841 7.55216 11.0495 9.69537 8.03442 10.2228 12.8864 6.43754 7.1372 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 13.9044 10.5202 10.4664 8.6597 numMergedOcc 0
10 mol 238 unq 1 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 13.3748 12.1784 11.2717 7.47235 numMergedOcc 0
11 mol 238 unq 2 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 5.61491 7.49471 5.17471 6.44735 numMergedOcc 0
12 mol 238 unq 3 iso 0 dist 4.87108 7.45873 6.22714 11.1268 10.216 5.64181 10.584 10.9946 5.03393 5.91208 numMergedOcc 0
13 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 13.9044 6.55759 10.4664 8.6597 numMergedOcc 0
14 mol 238 unq 5 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 13.3748 7.02475 11.2717 7.47235 numMergedOcc 0
15 mol 238 unq 6 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 5.61491 7.19008 5.17471 6.44735 numMergedOcc 0
16 mol 238 unq 7 iso 0 dist 7.64276 7.45873 7.31233 11.1268 7.83352 5.64181 10.584 11.3465 5.03393 5.91208 numMergedOcc 0
17 mol 238 unq 8 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 14.9109 10.5202 10.4664 8.6597 numMergedOcc 0
18 mol 238 unq 9 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 15.5439 12.1784 11.2717 7.47235 numMergedOcc 0
19 mol 238 unq 10 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 6.74728 7.49471 5.17471 6.44735 numMergedOcc 0
20 mol 238 unq 11 iso 0 dist 6.54455 5.17954 6.22714 10.4767 10.216 5.64181 7.49717 10.9946 5.03393 5.91208 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 11.6409 9.32326 6.11473 5.3935 7.66365 4.23801 6.57207 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 6.97105 5.89666 8.47784 5.3935 7.66365 4.23801 5.2361 numMergedOcc 0
23 mol 252 unq 2 iso 0 dist 7.93609 7.59919 8.1148 6.97105 5.89666 8.47784 11.142 10.765 13.6996 5.57515 numMergedOcc 0
24 mol 252 unq 3 iso 0 dist 7.93609 7.59919 8.1148 6.97105 5.89666 8.47784 10.9527 13.5038 15.4395 8.28694 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 8.30744 7.31951 8.59697 5.4536 8.37865 5.31048 6.39918 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 10.7186 6.04016 5.26434 5.74092 7.47164 7.49174 9.24121 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 10.7186 6.04016 8.60026 5.74092 7.47164 5.22253 9.24121 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 4.80092 4.86504 9.64269 5.91451 6.16449 4.72202 7.55161 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 4.80092 4.86504 8.46061 5.91451 6.16449 8.52877 7.55161 numMergedOcc 0
