0 mol 45 unq 0 iso 0 dist 8.23418 6.66825 5.55096 12.7473 4.52443 8.80014 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.13638 4.35705 7.6481 8.98939 5.36808 6.62229 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 8.64047 13.7907 8.70863 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.20639 5.6019 6.95465 7.01303 4.76302 7.39179 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.18729 9.68856 7.09065 15.043 10.2428 9.5669 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 9.73287 6.18257 9.35942 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 9.29144 10.9396 6.51395 14.7426 10.4498 7.42482 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.70951 14.2606 7.26955 18.4603 9.0892 9.9151 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.6461 9.90045 5.26989 11.1973 8.00633 6.94988 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.1093 4.34943 5.26989 6.97579 8.00633 6.94988 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 7.36421 4.50791 5.26989 11.3003 8.00633 6.94988 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 7.63085 6.99918 9.6096 11.7615 10.6936 5.8628 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.55974 5.48326 8.97471 9.67802 6.20673 7.02575 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 6.86439 10.4416 8.1931 11.5952 5.61577 6.37744 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 8.08534 4.35114 6.66959 9.2115 6.03041 7.44706 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 5.88787 4.40079 5.40318 11.9964 7.10449 8.85062 numMergedOcc 0
