0 mol 7 unq 0 iso 0 dist 9.26914 5.47645 9.8603 12.1468 7.10621 14.6665 17.038 8.72114 15.8072 13.8829 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.97123 5.33982 9.22002 7.20068 6.65721 6.16737 7.69177 9.25641 12.7481 13.5488 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 5.8729 14.1026 8.3164 9.80725 8.69985 11.5656 12.6824 7.80523 4.81814 7.74599 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 5.94669 7.56329 6.78949 5.89212 8.37808 7.54208 4.7859 9.23819 6.93382 7.39059 numMergedOcc 0
4 mol 122 unq 1 iso 0 dist 5.94669 7.56329 6.78949 5.89212 8.37808 7.54208 6.71742 8.88537 4.21285 5.0355 numMergedOcc 0
5 mol 122 unq 2 iso 0 dist 5.94669 5.85988 9.40018 5.89212 8.37808 11.0216 4.7859 9.23819 4.81033 7.39059 numMergedOcc 0
6 mol 122 unq 3 iso 0 dist 5.94669 5.85988 9.40018 5.89212 8.37808 11.0216 6.71742 8.88537 9.33734 5.0355 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.65519 13.6908 7.81337 4.88092 6.85062 11.4498 15.1611 8.70296 4.34786 14.2045 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.65519 13.6908 7.81337 4.88092 6.85062 11.4498 7.93002 9.25558 11.6607 5.09131 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.70271 9.61802 9.50322 10.8963 7.11802 5.37072 7.9145 9.22232 16.7326 16.0138 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.70271 9.61802 9.50322 10.8963 7.11802 5.37072 14.5816 9.22661 10.2948 5.92062 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.70271 9.61802 9.50322 10.8963 7.11802 5.37072 13.5985 7.56378 11.6924 6.61891 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 8.31244 11.9704 9.88732 6.84196 9.62337 6.54937 8.65672 5.85827 10.6052 8.78204 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 8.31244 9.95699 5.77949 6.84196 9.62337 6.91082 8.65672 5.85827 5.62869 8.78204 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 8.31244 13.9403 8.68403 6.84196 9.62337 10.1423 8.65672 5.85827 8.39191 8.78204 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 8.31244 6.49321 5.80441 6.84196 9.62337 9.82186 8.65672 5.85827 4.11186 8.78204 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.40983 6.67855 5.96555 8.48013 6.03031 4.6995 6.11697 6.03688 3.99238 8.15057 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 6.40983 6.67855 5.96555 9.6739 7.26832 10.7091 6.11697 6.03688 3.99238 12.4957 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 6.40983 6.67855 5.96555 11.3983 7.80463 5.87892 6.11697 6.03688 3.99238 6.09749 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 6.78537 12.6833 9.36079 9.45246 7.7366 13.6173 11.9537 6.16414 10.9922 6.45859 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 6.78537 12.6833 9.36079 9.45246 7.7366 13.6173 9.52969 7.33701 9.89331 4.40897 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 6.78537 12.6833 9.36079 9.45246 7.7366 13.6173 7.66993 8.0871 8.83984 7.62219 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 6.78537 10.855 7.42904 9.45246 7.7366 9.96254 11.9537 6.16414 8.16827 6.45859 numMergedOcc 0
23 mol 206 unq 4 iso 0 dist 6.78537 10.855 7.42904 9.45246 7.7366 9.96254 9.52969 7.33701 6.06766 4.40897 numMergedOcc 0
24 mol 206 unq 5 iso 0 dist 6.78537 10.855 7.42904 9.45246 7.7366 9.96254 7.66993 8.0871 5.82916 7.62219 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.07855 10.6732 9.54857 15.5856 7.46176 15.3806 11.8656 7.08526 8.74892 8.81835 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 7.51284 11.3993 8.19504 11.5015 6.24356 3.93713 4.51189 5.93616 7.28197 7.52936 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 5.99069 11.0176 8.43858 5.68295 9.361 10.2215 9.91912 7.16853 4.29482 11.1431 numMergedOcc 0
28 mol 264 unq 2 iso 0 dist 5.99069 11.0176 8.43858 6.99623 6.24356 8.55312 9.91912 7.16853 4.29482 5.00209 numMergedOcc 0
