0 mol 28 unq 0 iso 0 dist 8.76224 9.06486 8.79638 11.7233 8.53424 5.61871 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.76224 9.06486 8.79638 13.0183 7.08766 7.3517 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.76224 9.06486 8.79638 10.9699 4.82199 6.13016 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.76224 12.9129 6.42785 11.7233 8.53424 9.02992 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.76224 12.9129 6.42785 13.0183 7.08766 6.51048 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.76224 12.9129 6.42785 10.9699 4.82199 4.18951 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.76224 9.1051 5.75809 11.7233 8.53424 13.5265 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.76224 9.1051 5.75809 13.0183 7.08766 12.1819 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 8.76224 9.1051 5.75809 10.9699 4.82199 9.28235 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 6.67863 5.2394 6.54699 9.54415 8.19144 4.80201 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.80798 9.01714 8.08737 4.61966 8.565 6.14269 numMergedOcc 0
11 mol 213 unq 0 iso 0 dist 7.49754 8.80849 8.64187 7.61073 9.71831 9.83742 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 8.54126 5.10642 4.76819 8.96559 9.64861 5.87373 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 7.64079 6.19573 4.76819 6.09979 9.64861 5.87373 numMergedOcc 0
14 mol 268 unq 0 iso 0 dist 8.6577 5.07611 5.01283 3.43113 9.52476 7.56592 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 8.85163 7.50871 9.33601 9.87139 7.31132 11.6748 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 6.73396 10.8233 8.38399 7.01472 5.88958 12.0007 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 6.73396 10.8233 8.38399 11.0045 7.78121 15.0759 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.84189 9.75427 7.29668 9.51119 4.68668 10.326 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.84189 9.75427 7.29668 9.51119 4.68668 10.326 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.84189 9.75427 7.29668 9.51119 4.68668 10.326 numMergedOcc 0
