0 mol 41 unq 0 iso 0 dist 7.41523 11.4962 8.91418 9.13281 6.73801 6.78868 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.41523 11.4962 8.91418 11.098 6.42834 7.10946 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 7.41523 10.7868 6.0961 9.13281 6.73801 12.0084 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 7.41523 10.7868 6.0961 11.098 6.42834 4.08339 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.74341 13.6772 8.84323 9.70436 6.04903 7.46975 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.18729 6.08419 7.90328 9.68856 7.09065 12.9454 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 6.32393 7.31124 5.44714 13.0372 7.33541 9.69428 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.29144 9.29934 6.96057 10.9396 6.51395 3.88006 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.70951 9.12471 8.95838 14.2606 7.26955 12.2067 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.70951 14.8806 9.47892 14.2606 7.26955 4.09788 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 9.39237 4.22688 9.77771 4.43511 6.50043 6.27901 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 9.39237 4.22688 9.77771 9.31627 9.44952 11.2713 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 8.79469 7.53575 8.3622 7.20832 7.47932 4.01137 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.21461 4.3164 9.70025 4.19412 8.9289 6.02828 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.80672 3.89328 9.42374 10.1877 7.10526 8.11161 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.8126 4.18587 9.74324 6.27651 6.54825 10.1825 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.26544 6.31621 8.52504 4.37382 7.15195 5.62227 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 5.75996 10.9426 5.18952 8.9959 8.08764 10.2859 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 7.44932 12.2142 5.18952 12.8119 8.08764 10.2859 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 8.08534 6.72524 9.65322 4.35114 6.66959 3.87679 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 8.08534 4.32107 6.9453 4.35114 6.66959 5.40441 numMergedOcc 0
