0 mol 7 unq 0 iso 0 dist 9.02869 4.91115 7.11539 5.83658 5.37308 6.02702 10.826 12.421 8.43473 9.60499 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.02869 4.91115 7.11539 13.5317 9.17482 8.72114 18.6679 15.9303 13.8829 7.10621 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.05123 11.9755 8.3794 15.0761 9.85033 7.48342 13.3694 12.0227 4.39605 8.38064 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 9.05123 11.9755 8.3794 15.0761 9.85033 7.48342 20.9695 18.6406 12.1303 9.97507 numMergedOcc 0
4 mol 15 unq 2 iso 0 dist 9.09251 12.1533 8.37378 15.7378 9.50843 7.07399 13.8981 12.0433 4.29582 8.38064 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.52643 12.0216 5.94373 15.3102 7.26966 9.97159 15.4665 8.75668 6.21578 9.67592 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 5.41357 7.07433 5.94373 12.3873 7.26966 9.97159 9.95527 8.75668 6.21578 9.67592 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.84762 7.29711 7.89317 13.8593 8.82375 9.23858 17.0883 13.0414 9.89358 8.73993 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.2184 4.96177 7.89317 10.2589 8.82375 9.23858 13.7656 13.0414 9.89358 8.73993 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.52061 5.9261 6.52844 10.482 6.13737 6.28565 11.2246 11.3703 6.30169 9.61051 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.52061 5.9261 6.52844 10.482 6.13737 6.28565 5.99695 8.59695 4.55551 5.83384 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 7.6453 8.73165 9.7113 14.3241 11.462 7.58957 13.5968 14.0733 5.68211 9.61051 numMergedOcc 0
12 mol 129 unq 3 iso 0 dist 7.6453 8.73165 9.7113 14.3241 11.462 7.58957 18.7212 16.0274 10.5488 5.83384 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.40718 14.1039 9.2933 9.63295 5.32364 5.9176 12.5935 11.9989 5.63555 7.63312 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.40718 5.39949 8.77781 13.3844 13.9725 9.39829 12.5935 11.9989 7.20191 7.81386 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.40718 5.39949 8.77781 9.63295 5.32364 6.41453 12.5935 11.9989 7.20191 7.63312 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.72718 14.2953 8.91143 14.4834 11.3133 7.66165 17.1277 10.7663 5.4141 9.70748 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.52029 16.9386 7.59757 17.8571 10.2677 7.32294 18.5654 9.44947 5.86489 8.51516 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 6.28935 4.65019 8.70049 10.3466 8.43758 8.66332 11.0325 13.4233 6.65022 8.22528 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 8.4208 4.65019 9.55385 10.3466 5.88282 8.66332 11.0325 12.1268 6.65022 8.22528 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.46734 11.7623 8.99878 11.9377 5.54495 9.01021 6.03322 6.43546 10.0842 7.00034 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 8.00386 11.2425 9.58168 14.5656 12.8314 5.48118 16.4092 18.0687 10.7772 7.57994 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 8.00386 11.2425 9.58168 14.5656 12.8314 5.48118 14.4523 15.7034 7.04666 6.18582 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.57274 12.3617 7.87648 12.9994 5.38982 7.21311 16.1901 10.5395 5.63675 6.60405 numMergedOcc 0
