0 mol 26 unq 0 iso 0 dist 9.12845 5.30734 6.38243 11.5008 8.97754 12.4814 10.3756 4.76998 9.5053 9.11311 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.97769 7.40296 6.87028 11.884 9.10675 6.21346 12.9819 5.45005 6.62229 6.41008 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.32706 5.89202 6.87028 12.0104 9.10675 6.21346 11.3538 5.45005 6.62229 6.41008 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 9.08221 6.37648 6.87028 5.87468 9.10675 6.21346 9.86039 5.45005 6.62229 6.41008 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.8703 8.53692 8.05514 10.9724 8.19932 13.0221 14.5577 10.3533 6.40693 15.2743 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.39665 15.0902 8.05514 10.6721 8.19932 13.0221 17.3619 10.3533 6.40693 15.2743 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 9.12539 8.30921 5.99863 14.4787 5.43515 7.62611 11.2438 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 9.22631 9.57225 5.71763 4.25258 7.39732 6.15015 14.4787 5.43515 7.62611 12.0199 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 9.22631 9.57225 5.71763 3.5172 9.67744 10.9803 14.4787 5.43515 7.62611 14.9939 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.35237 6.02179 8.48313 7.89899 4.94473 12.7348 15.049 16.1483 9.30061 21.0045 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 7.99477 10.9332 8.48313 9.39407 4.94473 12.7348 17.8189 16.1483 9.30061 21.0045 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.40637 10.8441 8.68663 6.75249 6.60366 5.42311 9.14266 4.06908 6.95372 7.2932 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.52816 5.54129 7.53395 6.49049 4.97301 6.72925 9.53629 7.25932 5.95375 9.17562 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 6.74196 6.42798 7.97027 5.17002 9.79673 9.06039 9.07471 4.67663 9.08955 13.4403 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 6.74196 6.42798 7.97027 5.17002 9.79673 9.06039 9.8062 4.00869 8.88664 11.7093 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 6.74196 6.42798 7.97027 5.17002 9.79673 9.06039 10.6381 6.23984 7.16819 13.2474 numMergedOcc 0
16 mol 222 unq 3 iso 0 dist 6.74196 6.42798 7.97027 6.70898 6.39673 3.98816 9.07471 4.67663 9.08955 9.30639 numMergedOcc 0
17 mol 222 unq 4 iso 0 dist 6.74196 6.42798 7.97027 6.70898 6.39673 3.98816 9.8062 4.00869 8.88664 6.24462 numMergedOcc 0
18 mol 222 unq 5 iso 0 dist 6.74196 6.42798 7.97027 6.70898 6.39673 3.98816 10.6381 6.23984 7.16819 6.02034 numMergedOcc 0
19 mol 222 unq 6 iso 0 dist 8.36842 6.42798 4.9876 6.70898 7.80676 3.98816 9.07471 6.37382 9.08955 9.30639 numMergedOcc 0
20 mol 222 unq 7 iso 0 dist 8.36842 6.42798 4.9876 6.70898 7.80676 3.98816 9.8062 9.60662 8.88664 6.24462 numMergedOcc 0
21 mol 222 unq 8 iso 0 dist 8.36842 6.42798 4.9876 6.70898 7.80676 3.98816 10.6381 7.13962 7.16819 6.02034 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.1945 16.6392 9.87668 14.2198 8.74463 13.9338 24.8414 18.9885 9.23935 22.4301 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 8.1945 16.6392 9.87668 14.2198 8.74463 13.9338 24.3275 17.5145 7.77552 19.67 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 6.50998 4.76151 9.87668 9.72811 8.74463 13.9338 13.45 18.9885 9.23935 22.4301 numMergedOcc 0
25 mol 225 unq 3 iso 0 dist 6.50998 4.76151 9.87668 9.72811 8.74463 13.9338 11.7017 17.5145 7.77552 19.67 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 8.3189 8.55386 9.4435 11.0482 13.0036 7.21655 11.5459 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 5.90058 9.09085 7.14086 3.35448 8.55386 9.4435 13.0346 13.0036 7.21655 11.5459 numMergedOcc 0
28 mol 264 unq 2 iso 0 dist 9.58916 10.1591 7.14086 16.639 8.55386 9.4435 17.025 13.0036 7.21655 11.5459 numMergedOcc 0
