0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 14.6665 12.2471 7.10621 15.8072 10.0459 8.72114 13.8829 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 14.6665 10.2729 7.10621 15.8072 10.4728 8.72114 13.8829 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 4.78943 9.18436 5.05803 5.96976 12.137 6.93532 5.30082 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 5.96976 12.137 6.93532 10.4366 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 6.93876 14.838 8.66265 3.63144 9.78973 7.16773 6.63327 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 4.50603 8.77773 6.57035 5.08458 9.83799 6.98314 5.53055 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.44788 6.18763 6.83988 5.3154 12.1173 6.18601 6.49348 5.58734 8.00003 10.4376 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.44788 8.44385 14.8957 12.1192 20.2439 9.87172 4.01593 13.2182 9.11344 10.9441 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 9.44788 5.63005 12.1168 10.5268 19.2707 8.73993 4.01593 13.2182 6.52773 7.20179 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 10.5268 19.2707 8.73993 13.1254 17.6771 9.23858 9.89358 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 11.5759 13.4486 6.66772 7.12976 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.85651 9.3894 8.00493 13.0836 15.1254 9.52634 11.5759 13.4486 6.66772 4.34568 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 5.37072 11.5405 7.11802 16.7326 19.5418 9.22232 16.0138 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 6.23615 9.50322 14.5344 5.37072 11.5405 7.11802 10.2948 16.4054 9.22661 5.92062 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 6.23615 9.50322 14.5344 5.37072 11.5405 7.11802 11.6924 17.5793 7.56378 6.61891 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 6.54937 8.44989 9.62337 10.6052 12.9666 5.85827 8.78204 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 6.91082 8.44989 9.62337 5.62869 12.9666 5.85827 8.78204 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 9.9474 14.5974 7.09863 4.21811 8.61546 6.02296 6.35849 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.56262 7.50424 4.93539 6.88707 10.9041 8.41436 11.2248 10.7062 6.30154 7.44558 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.56262 7.50424 4.93539 6.88707 10.9041 8.41436 10.6488 10.5552 7.32499 10.7902 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 6.56262 7.50424 4.93539 8.96936 11.598 8.92474 11.2248 10.7062 6.30154 10.9712 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 6.56262 7.50424 4.93539 8.96936 11.598 8.92474 10.6488 10.5552 7.32499 4.4288 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 6.44932 7.08539 5.47633 7.38431 9.94654 5.4638 13.0408 14.186 9.55668 7.60081 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 9.07501 15.3404 7.57994 4.20164 4.68783 5.48118 10.7772 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 7.279 6.37672 9.82483 4.24014 11.128 6.18582 4.20164 4.68783 5.48118 7.04666 numMergedOcc 0
25 mol 249 unq 2 iso 0 dist 8.43448 8.94023 9.82483 9.53929 15.3404 7.57994 5.93404 4.68783 5.48118 10.7772 numMergedOcc 0
26 mol 249 unq 3 iso 0 dist 8.43448 8.94023 9.82483 5.36989 11.128 6.18582 5.93404 4.68783 5.48118 7.04666 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 5.61261 9.69025 7.98231 8.41846 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 5.61261 9.69025 7.98231 8.81835 numMergedOcc 0
