0 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 14.1042 12.5438 7.98005 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.51406 6.4487 8.34347 11.7908 8.39015 8.31381 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 9.79386 12.6657 9.02471 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 16.5452 9.53385 6.22221 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.98444 8.50779 8.95999 14.6986 9.65136 8.30217 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 11.0422 10.7434 4.86198 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.7212 6.12361 9.78528 11.0422 10.7434 6.62699 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 5.7576 3.85805 9.10566 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 5.57265 5.58109 7.9245 6.50622 5.34874 9.85512 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 5.57265 5.58109 7.9245 4.45433 3.68023 8.97888 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 7.05258 5.3454 7.9245 11.3183 5.34874 9.85512 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 7.05258 5.3454 7.9245 9.93417 3.68023 8.97888 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 20.5547 14.113 8.04242 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 9.84673 5.09542 7.36792 9.5434 3.48119 5.54256 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 12.1483 13.0914 9.59585 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.08014 7.41343 5.86073 16.5902 12.5818 9.7073 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.46684 5.28643 5.39945 9.22398 4.18693 4.76974 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 8.46684 5.28643 5.39945 12.5065 7.41059 8.0336 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 11.9147 4.7832 8.04118 numMergedOcc 0
19 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 11.9147 4.7832 8.39035 numMergedOcc 0
20 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 17.7886 16.456 9.9868 numMergedOcc 0
21 mol 231 unq 1 iso 0 dist 8.91036 10.613 7.37839 6.8533 6.63423 7.3268 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 7.99963 4.32238 4.43499 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 13.2931 6.24714 7.12221 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 8.44862 10.4505 6.97229 5.57978 4.02333 5.4557 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 6.82526 10.3274 8.45658 16.4706 11.4108 8.24356 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 5.3051 11.4819 8.4218 10.885 7.71667 5.7944 numMergedOcc 0
