0 mol 4 unq 0 iso 0 dist 9.63758 10.7798 5.39008 5.74287 5.69713 6.21799 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 7.15248 12.8718 9.8048 4.90645 7.49869 9.68268 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.43162 9.08666 9.8048 4.8818 7.49869 9.68268 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 6.79959 10.503 8.88401 7.19464 9.06479 4.90815 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 6.79959 10.503 8.88401 5.23889 9.90038 11.6215 numMergedOcc 0
5 mol 104 unq 0 iso 0 dist 5.71279 5.78815 7.32917 7.13889 5.84311 7.63632 numMergedOcc 0
6 mol 104 unq 1 iso 0 dist 5.71279 10.2942 8.84844 7.13889 5.84311 8.859 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 6.62679 9.27256 9.57283 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 6.59407 7.46189 9.43135 6.62679 9.27256 11.5947 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 6.2016 6.16078 5.83093 12.3162 9.56785 6.23917 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 6.2016 6.16078 5.83093 9.54343 7.66812 5.81781 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 5.86839 6.38518 6.02053 7.04224 8.23349 10.2985 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 5.86839 6.38518 6.02053 8.43505 8.7062 12.9288 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 5.86839 7.86936 7.41663 7.04224 8.23349 8.29075 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 5.86839 7.86936 7.41663 8.43505 8.7062 12.1048 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.05949 11.5037 8.50367 4.60996 8.37216 12.0187 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 8.05949 11.5037 8.50367 13.0196 5.6524 7.2193 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 8.05949 15.7959 8.94889 4.60996 8.37216 14.7047 numMergedOcc 0
18 mol 210 unq 3 iso 0 dist 8.05949 15.7959 8.94889 13.0196 5.6524 5.20757 numMergedOcc 0
19 mol 223 unq 0 iso 0 dist 6.97426 4.68566 7.96628 7.84356 8.51763 5.88785 numMergedOcc 0
20 mol 223 unq 1 iso 0 dist 8.87456 4.68566 7.76053 7.84356 5.57309 5.88785 numMergedOcc 0
21 mol 223 unq 2 iso 0 dist 8.87456 11.1044 9.65728 7.84356 5.57309 5.04647 numMergedOcc 0
22 mol 228 unq 0 iso 0 dist 9.9685 7.17017 8.22515 13.0958 9.17729 6.16735 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.86185 10.1043 7.80073 9.70785 9.02899 13.0809 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 8.26312 13.8702 7.10828 14.2074 7.07461 6.96785 numMergedOcc 0
25 mol 239 unq 2 iso 0 dist 7.58554 8.46058 7.10828 10.871 7.07461 6.96785 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 5.37747 6.62729 5.34803 9.93414 8.34116 5.36863 numMergedOcc 0
27 mol 290 unq 0 iso 0 dist 7.79492 4.96234 8.29597 9.6129 9.90135 8.32538 numMergedOcc 0
