0 mol 28 unq 0 iso 0 dist 7.61643 6.62508 13.235 12.0744 8.71168 18.4232 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.85208 9.77719 13.235 9.86606 8.71168 18.4232 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 4.93315 5.6359 5.91118 7.39957 9.60892 12.9638 numMergedOcc 0
3 mol 171 unq 0 iso 0 dist 7.38306 7.87612 5.74689 4.74273 7.85183 10.9441 numMergedOcc 0
4 mol 197 unq 0 iso 0 dist 6.22734 5.65314 3.35829 4.77702 7.69352 6.66653 numMergedOcc 0
5 mol 204 unq 0 iso 0 dist 5.8391 9.90751 11.5496 6.03168 9.23669 11.0468 numMergedOcc 0
6 mol 211 unq 0 iso 0 dist 8.96942 5.75044 4.68221 14.9488 9.24739 13.2998 numMergedOcc 0
7 mol 225 unq 0 iso 0 dist 8.621 9.48525 12.7959 13.2093 7.0412 18.8258 numMergedOcc 0
8 mol 228 unq 0 iso 0 dist 8.27678 9.10819 12.51 5.37564 8.09971 14.2971 numMergedOcc 0
9 mol 228 unq 1 iso 0 dist 8.26664 8.68964 12.4093 5.52794 6.97798 13.6492 numMergedOcc 0
10 mol 243 unq 0 iso 0 dist 6.77411 5.91328 6.87269 6.0421 7.2154 8.48003 numMergedOcc 0
11 mol 243 unq 1 iso 0 dist 6.77411 6.02146 4.4421 6.0421 7.2154 5.54003 numMergedOcc 0
12 mol 243 unq 2 iso 0 dist 6.0854 7.42359 13.1212 5.52989 8.1195 11.2064 numMergedOcc 0
13 mol 260 unq 0 iso 0 dist 8.67835 6.54521 4.58993 6.0591 8.13605 8.29663 numMergedOcc 0
14 mol 267 unq 0 iso 0 dist 7.71379 8.63426 6.15683 5.23721 5.72144 9.56478 numMergedOcc 0
15 mol 267 unq 1 iso 0 dist 7.71379 8.63426 6.15683 5.05875 6.79491 4.42902 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 9.53867 9.51394 5.06236 14.7732 9.24592 10.7645 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 9.53867 9.51394 5.06236 14.7732 9.24592 10.7645 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.53867 9.51394 5.06236 14.7732 9.24592 10.7645 numMergedOcc 0
