0 mol 11 unq 0 iso 0 dist 5.96346 8.68293 13.5125 4.10106 6.859 9.32171 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.96346 6.84216 6.76736 4.10106 6.859 9.89425 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.89412 8.4014 5.69755 6.91314 6.23015 10.3229 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.01567 7.49157 13.4969 8.91183 6.19899 14.9684 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.01567 7.49157 13.4969 13.0212 8.49709 15.887 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.01567 7.73794 13.9252 8.91183 6.19899 16.0986 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.01567 7.73794 13.9252 13.0212 8.49709 18.2669 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.73939 8.23075 12.2839 15.4313 9.85784 21.7392 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.73939 8.23075 12.2839 14.1829 9.87996 21.4183 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 6.73939 4.7841 6.22954 15.4313 9.85784 15.8473 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 6.73939 4.7841 6.22954 14.1829 9.87996 15.7273 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 7.29868 7.49157 14.1137 8.91183 6.61696 14.9684 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 7.29868 7.49157 14.1137 5.69214 5.80953 12.089 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 7.29868 7.73794 13.4584 8.91183 6.61696 16.0986 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 7.29868 7.73794 13.4584 5.69214 5.80953 10.4905 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 9.92355 9.23438 8.76454 6.57389 9.53438 12.5877 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.68678 7.17488 8.76454 5.6823 9.53438 12.5877 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 9.27838 4.86198 13.6186 5.69391 7.58875 9.92478 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 9.27838 4.86198 13.6186 5.57624 9.52749 9.73762 numMergedOcc 0
19 mol 72 unq 2 iso 0 dist 9.27838 4.86198 13.6186 4.03844 6.91169 8.77831 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 6.65501 7.92856 11.6496 10.4782 8.46823 17.395 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 6.65501 7.92856 11.6496 3.9764 4.62494 11.36 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 13.9729 9.30645 12.8182 numMergedOcc 0
23 mol 113 unq 1 iso 0 dist 8.8822 9.30832 15.5674 13.9729 9.30645 20.0562 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 7.78652 8.99891 14.3396 4.78563 5.06564 12.5751 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 8.91301 8.99891 12.476 4.78563 7.5373 12.5751 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.94469 8.29467 3.63671 5.42158 8.06308 10.2602 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 6.42735 9.84566 5.05856 4.08775 7.81263 12.4197 numMergedOcc 0
28 mol 184 unq 1 iso 0 dist 6.42735 8.22001 5.69882 4.08775 7.81263 7.25623 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.76163 6.93931 5.70845 14.106 9.99396 13.0128 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 8.65535 9.52922 3.7326 10.0756 4.19371 4.45769 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 8.65535 9.52922 3.7326 16.4082 9.71015 8.99961 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 7.36683 6.59544 9.10355 5.41635 6.22742 10.4086 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 7.67576 5.1609 3.98604 6.84862 8.43195 8.88902 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 7.67576 5.1609 3.98604 9.53117 8.23406 9.83916 numMergedOcc 0
35 mol 231 unq 0 iso 0 dist 7.79066 9.9868 10.5016 4.15084 9.60504 10.3218 numMergedOcc 0
36 mol 231 unq 1 iso 0 dist 7.79066 7.3268 4.02097 4.15084 9.60504 8.48015 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 9.05071 8.25985 12.159 5.42461 6.59036 11.9458 numMergedOcc 0
38 mol 232 unq 1 iso 0 dist 9.05071 9.27788 8.36223 5.42461 6.59036 11.4714 numMergedOcc 0
