0 mol 10 unq 0 iso 0 dist 9.06457 5.04413 7.14537 6.77277 10.9618 7.82875 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03914 15.2015 8.34145 22.8242 15.2071 8.21247 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.04174 9.28401 8.34145 15.5791 15.2071 8.21247 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 6.54758 14.134 9.47401 9.45622 4.67834 6.14494 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 9.00438 12.9761 9.6145 11.7241 3.7783 8.65033 numMergedOcc 0
5 mol 66 unq 1 iso 0 dist 9.00438 9.94694 8.32859 11.7241 3.7783 7.8807 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.88256 4.58473 5.7369 10.4039 6.50041 7.50377 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 8.63633 6.5455 5.7369 13.3161 6.50041 7.50377 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 9.11206 5.01159 9.17843 11.0381 4.59356 9.15226 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.95076 5.09521 9.43904 13.0269 6.69138 9.65468 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 7.76112 5.09521 7.01095 13.0269 6.82744 9.65468 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.75756 9.26568 8.22795 18.0835 14.0091 9.20541 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 5.08438 4.65091 6.396 6.77515 4.3166 8.84149 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 9.68213 12.4844 6.69042 10.4962 3.35829 7.86042 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.71347 12.4426 6.40171 12.4186 6.22981 8.92597 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.71347 12.4426 6.40171 12.7548 10.4922 7.53734 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 8.71347 12.4426 6.40171 19.7782 15.2328 9.79826 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 5.83021 5.84459 9.95026 9.24348 7.9981 8.43994 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 9.18711 7.76853 9.95026 12.3347 7.9981 8.43994 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.0735 10.0058 6.46405 18.5953 12.7959 8.69052 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.31344 13.0354 6.03081 8.74649 3.89748 7.93194 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.28643 12.4194 4.66186 11.9776 4.70535 5.52788 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.07313 8.17555 8.30024 16.7578 13.1212 8.89434 numMergedOcc 0
