0 mol 24 unq 0 iso 0 dist 4.93188 13.5399 9.65174 10.9113 9.57743 7.7447 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.24958 15.0923 9.65174 16.707 9.57743 7.7447 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.31969 12.0751 7.34145 17.5432 9.34622 7.99194 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.31969 12.0751 7.34145 13.7011 5.89735 7.80313 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 6.54023 6.93285 7.34145 13.3074 9.34622 7.99194 numMergedOcc 0
5 mol 70 unq 3 iso 0 dist 6.54023 6.93285 7.34145 10.4272 5.89735 7.80313 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.78038 6.35793 9.34689 9.02706 8.90959 5.92828 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 6.78038 6.35793 9.34689 9.39168 4.4941 9.1247 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 6.47042 4.69658 9.34689 8.47988 8.90959 5.92828 numMergedOcc 0
9 mol 112 unq 3 iso 0 dist 6.47042 4.69658 9.34689 8.0427 4.4941 9.1247 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.99857 10.4816 7.62197 11.2897 6.71103 4.55071 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.56342 13.2169 7.62197 12.31 6.71103 4.55071 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.41611 6.75249 7.22 5.40637 6.16103 6.60366 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.77552 10.6994 7.34557 6.59889 4.71678 8.60651 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.28642 4.68615 7.34557 6.70693 4.71678 8.60651 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.88319 6.60451 8.06621 10.1006 12.4672 6.77583 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 6.258 4.04122 6.08596 7.2793 8.88593 9.34653 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.86175 9.9009 6.62738 11.5084 3.85314 6.17843 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 8.86175 11.0018 7.13254 11.5084 3.85314 8.52772 numMergedOcc 0
19 mol 218 unq 2 iso 0 dist 6.29511 10.3884 6.62738 9.24601 3.85314 6.17843 numMergedOcc 0
20 mol 218 unq 3 iso 0 dist 6.29511 11.2389 7.13254 9.24601 3.85314 8.52772 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 6.86945 9.93981 8.38453 7.15764 4.34126 9.81261 numMergedOcc 0
