0 mol 63 unq 0 iso 0 dist 8.01382 10.2511 9.22331 5.60142 5.53589 5.44629 numMergedOcc 0
1 mol 63 unq 1 iso 0 dist 7.77386 9.80559 9.22331 4.84866 5.53589 5.44629 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 6.34031 14.7574 9.95103 13.478 9.5669 6.04919 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 8.50992 10.135 8.06774 6.87606 6.12967 3.73122 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 8.00008 10.6042 8.06774 9.85061 6.12967 3.73122 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 7.79698 7.02959 8.06774 6.69989 6.12967 3.73122 numMergedOcc 0
6 mol 108 unq 3 iso 0 dist 7.18748 9.65124 8.06774 6.01373 6.12967 3.73122 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.82036 13.7372 9.10677 8.69165 6.76575 5.70461 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 8.19198 4.65731 9.37051 5.25155 6.03352 9.0525 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 5.44816 6.73983 12.6656 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.93424 13.0903 7.35385 9.06521 8.6387 14.7644 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.8891 13.0903 8.35864 5.44816 7.64956 12.6656 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.70622 4.44449 6.53696 11.1891 5.60528 10.9098 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.70622 4.44449 6.53696 5.28649 5.5995 5.31207 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.13011 6.28664 9.24734 6.22466 5.73306 7.16694 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 7.06538 6.05626 8.95886 10.5008 8.43187 7.98055 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.22952 12.1098 9.61639 12.3393 6.26945 11.7881 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 5.2801 12.6693 7.40057 9.44168 8.89892 13.0191 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.7625 6.7593 5.92532 7.05559 7.85414 8.7465 numMergedOcc 0
