0 mol 126 unq 0 iso 0 dist 7.80819 9.2806 4.57807 12.415 9.93116 14.4059 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 5.22333 8.57774 5.58833 numMergedOcc 0
2 mol 130 unq 0 iso 0 dist 6.5114 9.78456 9.18721 9.3176 7.15213 11.1632 numMergedOcc 0
3 mol 130 unq 1 iso 0 dist 6.5114 9.78456 9.18721 9.99762 8.86516 14.3603 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 3.48657 8.62632 6.89918 numMergedOcc 0
5 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 3.48657 8.62632 7.89457 numMergedOcc 0
6 mol 132 unq 2 iso 0 dist 7.14447 6.23573 5.77316 3.48657 8.62632 9.48483 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 9.58629 9.08906 13.0402 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 3.64178 9.77333 10.5974 numMergedOcc 0
9 mol 187 unq 0 iso 0 dist 5.26804 7.68247 4.98423 6.24375 5.7938 10.6845 numMergedOcc 0
10 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 15.4093 7.7619 18.3168 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 6.13838 8.31815 14.7404 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.00773 9.2521 13.931 6.13838 8.31815 9.7696 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 7.00773 8.51359 15.2654 6.13838 8.31815 10.0682 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 10.7913 8.59229 16.453 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 8.27377 7.0247 12.8819 10.1431 7.33165 13.7888 numMergedOcc 0
16 mol 253 unq 2 iso 0 dist 8.27377 7.0247 12.8819 5.9617 9.66967 10.7613 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 11.8307 8.40328 10.3406 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 9.41512 8.2518 9.46361 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 11.8307 8.40328 12.8546 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 9.41512 8.2518 12.8903 numMergedOcc 0
21 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 11.8307 8.40328 5.85442 numMergedOcc 0
22 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 9.41512 8.2518 6.95511 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.3389 7.70229 13.1327 7.17376 6.00439 14.1 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 7.3389 7.90792 11.2762 7.17376 6.00439 12.2771 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 7.04213 7.18295 11.8288 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 8.821 7.92491 4.69801 17.4818 9.83098 13.9896 numMergedOcc 0
27 mol 283 unq 2 iso 0 dist 9.82337 7.92491 13.1972 7.04213 9.19367 11.8288 numMergedOcc 0
