0 mol 24 unq 0 iso 0 dist 6.73939 6.6219 12.5545 8.23075 12.2839 10.1923 15.4313 9.85784 20.8968 21.7392 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.73939 6.6219 12.5545 8.23075 12.2839 10.1923 14.1829 9.87996 19.0112 21.4183 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.73939 6.6219 12.5545 4.7841 6.22954 9.92483 15.4313 9.85784 20.8968 15.8473 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.73939 6.6219 12.5545 4.7841 6.22954 9.92483 14.1829 9.87996 19.0112 15.7273 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.73939 5.68215 4.08755 8.23075 12.2839 9.24731 15.4313 9.85784 13.849 21.7392 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.73939 5.68215 4.08755 8.23075 12.2839 9.24731 14.1829 9.87996 13.815 21.4183 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.73939 5.68215 4.08755 4.7841 6.22954 3.53396 15.4313 9.85784 13.849 15.8473 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.73939 5.68215 4.08755 4.7841 6.22954 3.53396 14.1829 9.87996 13.815 15.7273 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.68678 8.96727 5.66912 7.17488 8.76454 10.5853 5.6823 9.53438 10.9762 12.5877 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.68678 8.01308 5.76523 7.17488 8.76454 5.11422 5.6823 9.53438 12.4865 12.5877 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 4.86198 13.6186 4.38233 5.69391 7.58875 10.6668 9.92478 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.27838 7.12321 14.005 4.86198 13.6186 4.38233 5.57624 9.52749 12.3081 9.73762 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.27838 7.12321 14.005 4.86198 13.6186 4.38233 4.03844 6.91169 10.9996 8.77831 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 7.02367 5.40648 3.52445 13.9729 9.30645 12.1146 12.8182 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 8.8822 8.80934 7.1951 9.30832 15.5674 10.4701 13.9729 9.30645 12.1146 20.0562 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 8.99891 14.3396 14.4074 4.78563 5.06564 9.94557 12.5751 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.78652 5.40637 10.0079 8.99891 14.3396 5.94217 4.78563 5.06564 9.29944 12.5751 numMergedOcc 0
17 mol 143 unq 2 iso 0 dist 8.91301 7.36975 14.7271 8.99891 12.476 14.4074 4.78563 7.5373 9.94557 12.5751 numMergedOcc 0
18 mol 143 unq 3 iso 0 dist 8.91301 5.40637 9.05366 8.99891 12.476 5.94217 4.78563 7.5373 9.29944 12.5751 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.94469 6.64173 4.98436 8.29467 3.63671 5.09584 5.42158 8.06308 11.0482 10.2602 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.94469 9.01624 11.9796 8.29467 3.63671 11.4645 5.42158 8.06308 9.92831 10.2602 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 5.94469 9.55105 12.3589 8.29467 3.63671 11.5807 5.42158 8.06308 12.1187 10.2602 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 6.42735 8.97589 3.7949 9.84566 5.05856 6.68311 4.08775 7.81263 9.52678 12.4197 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 6.42735 8.97589 3.7949 8.22001 5.69882 3.88698 4.08775 7.81263 9.52678 7.25623 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 6.42735 5.96423 4.67256 9.84566 5.05856 9.71065 4.08775 7.81263 4.61596 12.4197 numMergedOcc 0
25 mol 184 unq 3 iso 0 dist 6.42735 5.96423 4.67256 8.22001 5.69882 3.30691 4.08775 7.81263 4.61596 7.25623 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 6.93931 5.70845 5.4547 14.106 9.99396 13.7317 13.0128 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.36683 7.41662 8.90504 6.59544 9.10355 5.60873 5.41635 6.22742 11.6534 10.4086 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 8.25985 12.159 3.43286 5.42461 6.59036 11.1014 11.9458 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 9.05071 6.71524 11.2243 9.27788 8.36223 5.45761 5.42461 6.59036 11.1014 11.4714 numMergedOcc 0
