0 mol 7 unq 0 iso 0 dist 9.34656 15.0884 6.36911 13.0935 6.06176 8.41585 17.9527 13.0969 9.68596 14.7759 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.0405 9.7939 8.72704 12.0862 7.2495 6.45675 16.3845 11.0949 7.38135 7.11701 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 9.0405 9.7939 8.72704 10.6961 10.1589 7.47343 16.3845 11.0949 7.38135 11.2312 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 9.0405 9.7939 8.72704 17.8864 15.9331 8.86688 16.3845 11.0949 7.38135 7.79768 numMergedOcc 0
4 mol 155 unq 0 iso 0 dist 9.70106 7.52846 9.38946 12.6012 12.8482 6.43582 13.4295 9.50478 7.92304 5.50031 numMergedOcc 0
5 mol 167 unq 0 iso 0 dist 9.4422 12.4033 8.62646 6.53913 6.58937 9.87651 16.4519 7.31643 9.67741 13.0123 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.34871 4.89429 7.20046 10.4189 5.4601 5.98885 13.9347 9.87435 9.72611 5.6044 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 9.34871 4.89429 7.20046 10.4189 5.4601 5.98885 10.4668 4.69841 7.99195 6.6251 numMergedOcc 0
8 mol 181 unq 2 iso 0 dist 9.34871 4.89429 7.20046 8.27794 6.14208 9.09537 13.9347 9.87435 9.72611 12.9468 numMergedOcc 0
9 mol 181 unq 3 iso 0 dist 9.34871 4.89429 7.20046 8.27794 6.14208 9.09537 10.4668 4.69841 7.99195 10.09 numMergedOcc 0
10 mol 181 unq 4 iso 0 dist 5.55727 4.89429 7.13543 10.4189 10.0524 5.98885 13.9347 14.6648 9.72611 5.6044 numMergedOcc 0
11 mol 181 unq 5 iso 0 dist 5.55727 4.89429 7.13543 10.4189 10.0524 5.98885 10.4668 7.23063 7.99195 6.6251 numMergedOcc 0
12 mol 181 unq 6 iso 0 dist 5.55727 4.89429 7.13543 8.27794 5.95965 9.09537 13.9347 14.6648 9.72611 12.9468 numMergedOcc 0
13 mol 181 unq 7 iso 0 dist 5.55727 4.89429 7.13543 8.27794 5.95965 9.09537 10.4668 7.23063 7.99195 10.09 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 6.58245 14.8922 8.99696 15.5751 9.82139 8.56633 15.4381 11.1666 7.50013 8.46623 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 6.58245 14.8922 8.99696 15.5751 9.82139 8.56633 18.3686 13.3562 5.81233 10.7305 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 6.58245 14.8922 8.99696 15.5751 9.82139 8.56633 10.8962 4.59269 6.92924 5.41996 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 6.58245 14.8922 8.99696 15.5751 9.82139 8.56633 19.5004 12.9766 7.14306 6.64537 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 7.54327 5.28657 6.16063 10.4208 11.3297 8.41436 5.74541 5.70413 6.30154 7.44558 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 7.54327 5.28657 6.16063 10.4208 11.3297 8.41436 12.0552 7.17691 7.32499 10.7902 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 7.54327 5.28657 6.16063 13.7219 10.2563 8.92474 5.74541 5.70413 6.30154 10.9712 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 7.54327 5.28657 6.16063 13.7219 10.2563 8.92474 12.0552 7.17691 7.32499 4.4288 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.24964 6.70342 9.58736 6.45574 9.66021 5.4638 4.46919 13.128 9.55668 7.60081 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 5.71896 6.01036 9.58736 8.14407 9.66021 5.4638 9.62712 13.128 9.55668 7.60081 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 8.3229 17.1296 9.58736 15.9155 9.66021 5.4638 16.7098 13.128 9.55668 7.60081 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 6.62086 7.30165 9.29858 9.75977 13.069 5.72887 12.7106 10.3809 9.24557 14.7883 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 6.50118 5.18833 9.29858 10.5161 13.069 5.72887 6.97527 10.3809 9.24557 14.7883 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 5.50677 14.447 9.0012 12.7927 9.74238 9.361 14.4438 9.76317 7.16853 11.1431 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 5.50677 14.447 9.0012 10.1737 5.12409 6.24356 14.4438 9.76317 7.16853 5.00209 numMergedOcc 0
29 mol 264 unq 2 iso 0 dist 8.75957 14.447 9.5784 12.7927 9.85579 9.361 14.4438 13.9064 7.16853 11.1431 numMergedOcc 0
30 mol 264 unq 3 iso 0 dist 8.75957 14.447 9.5784 10.1737 9.67998 6.24356 14.4438 13.9064 7.16853 5.00209 numMergedOcc 0
