0 mol 63 unq 0 iso 0 dist 7.06827 9.43008 7.49784 8.1839 8.94945 11.9883 numMergedOcc 0
1 mol 63 unq 1 iso 0 dist 7.06827 7.63422 11.1633 8.1839 8.94945 14.1053 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 6.72194 8.49048 4.64757 5.88118 9.21173 12.1412 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 5.8729 8.06147 9.29894 14.1026 8.3164 15.5751 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 6.70271 9.34662 12.538 9.61802 9.50322 6.72323 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 6.2109 9.34662 4.54648 9.61802 5.82404 6.72323 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 8.31244 9.43939 13.2458 11.9704 9.88732 17.5306 numMergedOcc 0
7 mol 180 unq 1 iso 0 dist 8.31244 9.43939 13.2458 9.95699 5.77949 16.7704 numMergedOcc 0
8 mol 180 unq 2 iso 0 dist 8.31244 9.43939 13.2458 13.9403 8.68403 20.3459 numMergedOcc 0
9 mol 180 unq 3 iso 0 dist 8.31244 9.43939 13.2458 6.49321 5.80441 13.9047 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 9.99721 9.36505 8.50224 5.41712 6.25429 10.2292 numMergedOcc 0
11 mol 196 unq 1 iso 0 dist 8.95053 9.36505 12.4046 5.41712 6.87731 10.2292 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 9.24777 9.27079 7.33935 8.64161 8.3337 13.081 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 7.28579 5.8083 4.51687 15.2359 9.73892 13.3242 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 7.28579 5.8083 4.51687 12.6833 8.46319 10.263 numMergedOcc 0
15 mol 206 unq 2 iso 0 dist 7.28579 5.8083 4.51687 10.855 9.11298 9.7402 numMergedOcc 0
16 mol 206 unq 3 iso 0 dist 6.78537 5.8083 4.62682 12.6833 9.36079 10.263 numMergedOcc 0
17 mol 206 unq 4 iso 0 dist 6.78537 5.8083 4.62682 10.855 7.42904 9.7402 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 7.08106 6.19843 5.87279 8.87587 8.62103 10.7279 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 5.99069 7.83933 7.52936 11.0176 8.43858 13.7665 numMergedOcc 0
