0 mol 87 unq 0 iso 0 dist 6.62798 10.7803 9.90256 17.7316 12.809 9.99609 numMergedOcc 0
1 mol 87 unq 1 iso 0 dist 9.94718 13.2349 9.90256 16.8765 12.809 9.99609 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.40582 15.2733 8.15664 17.4377 10.7488 7.75977 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 7.95136 5.29804 7.66418 9.17671 6.35861 7.68908 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 5.8915 5.29804 8.078 9.17671 5.56761 7.68908 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 5.33659 5.34994 6.08846 13.4658 12.1136 8.98949 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.47105 11.193 9.2759 12.3974 6.53637 6.29879 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 9.55621 12.9459 8.0501 13.5768 9.38569 9.90752 numMergedOcc 0
8 mol 188 unq 0 iso 0 dist 6.07498 6.28041 8.1907 8.5397 4.07548 7.82113 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.32133 9.09362 6.62514 11.1819 4.89826 7.52692 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.32133 9.09362 6.62514 18.6195 11.9869 9.7707 numMergedOcc 0
11 mol 204 unq 2 iso 0 dist 6.58174 10.9794 6.20044 11.6957 5.5367 7.52692 numMergedOcc 0
12 mol 204 unq 3 iso 0 dist 6.58174 10.9794 6.20044 12.8432 9.42629 9.7707 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 9.54443 12.5471 5.86839 9.6897 4.79799 8.96503 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 12.4288 5.53796 7.58632 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 8.64849 9.4366 8.52996 8.99521 9.17371 9.82101 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.46484 5.81446 7.74348 7.89041 6.63806 8.24184 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 8.80671 14.8289 7.74348 15.2353 6.63806 8.24184 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.94785 5.25261 8.09912 11.0594 6.35062 8.36731 numMergedOcc 0
19 mol 293 unq 0 iso 0 dist 9.92737 7.23495 9.65156 13.8107 11.1018 8.84911 numMergedOcc 0
