0 mol 7 unq 0 iso 0 dist 9.20552 5.26458 5.99972 10.4548 5.99459 6.12483 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 4.54526 4.79873 5.46578 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 6.84017 6.16347 16.0229 9.48085 9.62058 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.94828 15.5398 7.92503 4.54526 4.79873 11.0175 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.94828 15.5398 7.92503 16.0229 9.48085 10.2758 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.72872 9.96083 7.07339 7.72003 7.16132 7.06251 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 6.72872 7.03665 7.23317 7.72003 7.16132 3.81228 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.81637 6.18332 5.93884 6.69301 9.22598 5.66912 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 8.27156 5.40878 4.74544 7.751 6.9103 4.09232 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 6.92837 6.56303 9.97775 5.29207 6.9362 5.1678 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 11.9655 9.27838 12.6194 7.12321 14.005 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 6.86713 5.04455 9.49454 12.4753 8.27883 15.7954 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.86713 5.04455 9.49454 6.52247 5.75428 10.4348 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 6.86713 5.04455 9.49454 5.89506 8.57395 5.88327 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 6.86713 5.04455 9.49454 6.40728 9.85409 3.96826 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.61812 7.76066 7.80975 17.6236 9.90751 15.0328 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.61812 7.76066 7.80975 17.5707 9.21662 12.48 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.26438 5.26309 7.80523 7.53887 7.07971 5.92927 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 6.43255 11.4333 7.80523 7.83378 7.07971 5.92927 numMergedOcc 0
19 mol 109 unq 2 iso 0 dist 7.4389 14.0908 7.80523 10.405 7.07971 5.92927 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 8.47907 10.577 8.88537 12.3287 6.00603 6.29388 numMergedOcc 0
21 mol 122 unq 1 iso 0 dist 8.47907 6.9595 9.23819 12.3287 6.00603 9.83972 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 5.79157 12.2847 9.94764 4.72407 9.1998 11.5269 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 5.79157 12.2847 9.94764 7.97297 8.69531 6.93712 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 5.43915 8.59874 6.39406 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.77347 10.0244 8.73217 8.69152 6.61112 4.03697 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 4.31898 7.41662 8.90504 numMergedOcc 0
27 mol 195 unq 1 iso 0 dist 7.39185 8.75868 6.95086 4.31898 7.41662 5.60628 numMergedOcc 0
28 mol 195 unq 2 iso 0 dist 4.78641 6.31156 7.36683 8.15463 7.41662 8.90504 numMergedOcc 0
29 mol 195 unq 3 iso 0 dist 4.78641 10.4127 6.95086 8.15463 7.41662 5.60628 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 8.57514 7.35197 4.8668 12.7286 6.49765 9.86388 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 6.11505 5.68053 4.8668 12.0822 6.49765 9.86388 numMergedOcc 0
32 mol 213 unq 0 iso 0 dist 9.73691 10.1372 8.14332 5.23399 8.22569 6.60887 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 7.57253 5.70548 9.05071 8.96601 6.71524 11.2243 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 7.80612 9.85403 8.76935 11.091 7.10671 3.85188 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 7.80612 9.85403 8.76935 8.97902 8.67156 4.21383 numMergedOcc 0
36 mol 243 unq 2 iso 0 dist 7.80612 7.14241 8.47652 11.091 7.10671 6.25256 numMergedOcc 0
37 mol 243 unq 3 iso 0 dist 7.80612 7.14241 8.47652 8.97902 8.67156 6.94795 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 7.43241 10.1686 6.78191 11.847 5.83329 8.8835 numMergedOcc 0
