0 mol 48 unq 0 iso 0 dist 7.4343 6.39142 5.35252 6.13746 8.8645 5.76698 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.05327 6.64431 5.06188 6.6281 8.3491 5.75684 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.86092 4.79821 6.70095 5.8992 8.56916 5.86191 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 7.6104 13.468 7.2118 14.9797 7.93119 9.38885 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 7.6104 13.468 7.2118 9.40112 5.25361 4.93836 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 4.58684 5.79354 6.22441 6.88382 9.72782 6.65805 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 4.58684 5.79354 6.22441 6.17184 8.81954 9.24705 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 7.62091 6.35865 6.11833 6.65185 9.15226 11.7553 numMergedOcc 0
8 mol 105 unq 1 iso 0 dist 7.62091 3.51216 7.12201 6.65185 9.15226 8.79469 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 8.58873 8.84157 6.94745 3.48657 8.40461 7.05332 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 9.5915 9.65752 9.9368 10.1813 9.45909 15.7186 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 7.29539 7.80421 10.8542 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 6.61789 5.87078 8.05949 9.38664 9.71107 14.6074 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 6.61789 5.87078 8.05949 9.19748 9.7449 13.6787 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 9.82101 9.17371 8.52996 11.1798 7.3963 4.89645 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 4.76073 8.75172 15.0178 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 8.24184 6.63806 7.74348 4.76073 8.75172 7.69003 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.12646 4.91933 7.83793 10.6859 8.49945 12.7149 numMergedOcc 0
18 mol 279 unq 1 iso 0 dist 8.12646 4.91933 7.83793 4.58226 9.68415 7.60708 numMergedOcc 0
