0 mol 7 unq 0 iso 0 dist 9.26914 5.47645 9.8603 17.038 8.72114 15.8072 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.97123 5.33982 9.22002 7.69177 9.25641 12.7481 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 8.09807 12.3322 8.76461 10.7905 6.72639 6.59475 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 8.09807 12.3322 8.76461 10.7525 9.34791 11.8419 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.59353 14.5928 9.8809 15.7351 9.97775 7.30649 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 5.8729 14.1026 8.3164 12.6824 7.80523 4.81814 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 5.94669 7.56329 6.78949 4.7859 9.23819 6.93382 numMergedOcc 0
7 mol 122 unq 1 iso 0 dist 5.94669 7.56329 6.78949 6.71742 8.88537 4.21285 numMergedOcc 0
8 mol 122 unq 2 iso 0 dist 5.94669 5.85988 9.40018 4.7859 9.23819 4.81033 numMergedOcc 0
9 mol 122 unq 3 iso 0 dist 5.94669 5.85988 9.40018 6.71742 8.88537 9.33734 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.65519 13.6908 7.81337 15.1611 8.70296 4.34786 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.65519 13.6908 7.81337 7.93002 9.25558 11.6607 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.70271 9.61802 9.50322 7.9145 9.22232 16.7326 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 6.70271 9.61802 9.50322 14.5816 9.22661 10.2948 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 6.70271 9.61802 9.50322 13.5985 7.56378 11.6924 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.31244 11.9704 9.88732 8.65672 5.85827 10.6052 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 8.31244 9.95699 5.77949 8.65672 5.85827 5.62869 numMergedOcc 0
17 mol 180 unq 2 iso 0 dist 8.31244 13.9403 8.68403 8.65672 5.85827 8.39191 numMergedOcc 0
18 mol 180 unq 3 iso 0 dist 8.31244 6.49321 5.80441 8.65672 5.85827 4.11186 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.40983 6.67855 5.96555 6.11697 6.03688 3.99238 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 7.28579 15.2359 9.73892 13.4647 7.29285 3.89957 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 7.28579 12.6833 8.46319 13.4647 7.29285 4.06474 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 7.28579 10.855 9.11298 13.4647 7.29285 7.56231 numMergedOcc 0
23 mol 206 unq 3 iso 0 dist 6.78537 12.6833 9.36079 11.9537 6.16414 10.9922 numMergedOcc 0
24 mol 206 unq 4 iso 0 dist 6.78537 12.6833 9.36079 9.52969 7.33701 9.89331 numMergedOcc 0
25 mol 206 unq 5 iso 0 dist 6.78537 12.6833 9.36079 7.66993 8.0871 8.83984 numMergedOcc 0
26 mol 206 unq 6 iso 0 dist 6.78537 10.855 7.42904 11.9537 6.16414 8.16827 numMergedOcc 0
27 mol 206 unq 7 iso 0 dist 6.78537 10.855 7.42904 9.52969 7.33701 6.06766 numMergedOcc 0
28 mol 206 unq 8 iso 0 dist 6.78537 10.855 7.42904 7.66993 8.0871 5.82916 numMergedOcc 0
29 mol 251 unq 0 iso 0 dist 9.10022 9.70128 8.39644 7.71428 8.68707 4.01393 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.07855 10.6732 9.54857 11.8656 7.08526 8.74892 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.51284 11.3993 8.19504 4.51189 5.93616 7.28197 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 5.99069 11.0176 8.43858 9.91912 7.16853 4.29482 numMergedOcc 0
