0 mol 28 unq 0 iso 0 dist 9.04621 15.2012 9.32784 7.88348 7.43758 8.14466 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 15.1993 9.32784 8.72422 7.43758 8.14466 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 6.85013 5.30801 9.70445 11.2319 9.77734 8.42877 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.06073 8.55991 7.40218 12.3312 8.35366 4.33582 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.06073 8.55991 7.40218 12.9794 8.69829 4.88924 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.36132 9.38745 9.0081 5.92597 9.91313 9.35633 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 9.59128 4.21579 7.28327 4.64268 9.33277 5.8659 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 7.4348 3.87081 5.37345 12.3845 9.79739 8.68687 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 6.13054 4.5649 9.57415 6.36089 8.08406 9.15324 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 6.13054 4.5649 9.57415 4.10862 5.73579 6.32317 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 8.7814 5.81788 8.70668 15.303 9.39452 11.2259 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 7.16289 7.95074 9.17333 4.81196 6.59749 4.05045 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 9.3164 4.57254 9.17333 7.0408 6.59749 4.05045 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.41747 4.14391 6.55345 7.85772 9.9224 9.11877 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 9.52641 13.0021 9.88141 9.31157 8.85976 5.1735 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 6.07688 4.34513 9.4323 6.9685 9.00921 5.55822 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.74945 11.5022 7.10646 7.21778 6.64341 8.12353 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 6.74945 11.5022 7.10646 4.35022 7.31315 10.6332 numMergedOcc 0
18 mol 220 unq 2 iso 0 dist 5.15585 6.92811 7.10646 9.58458 6.64341 8.12353 numMergedOcc 0
19 mol 220 unq 3 iso 0 dist 5.15585 6.92811 7.10646 9.67051 7.31315 10.6332 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.8444 5.80471 9.27557 5.6925 9.18345 10.4312 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.94974 7.10871 5.15432 16.1108 7.35799 9.33832 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 9.94974 6.21202 8.2375 16.1108 7.35799 13.7765 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 9.94974 10.7671 9.23951 16.1108 7.35799 11.1553 numMergedOcc 0
24 mol 279 unq 3 iso 0 dist 4.54596 5.69688 5.15432 3.82462 7.35799 9.33832 numMergedOcc 0
25 mol 279 unq 4 iso 0 dist 4.54596 10.1983 8.2375 3.82462 7.35799 13.7765 numMergedOcc 0
26 mol 279 unq 5 iso 0 dist 4.54596 8.2301 9.23951 3.82462 7.35799 11.1553 numMergedOcc 0
27 mol 279 unq 6 iso 0 dist 8.32942 12.6943 5.15432 6.05145 7.35799 9.33832 numMergedOcc 0
28 mol 279 unq 7 iso 0 dist 8.32942 14.9381 8.2375 6.05145 7.35799 13.7765 numMergedOcc 0
29 mol 279 unq 8 iso 0 dist 8.32942 13.6162 9.23951 6.05145 7.35799 11.1553 numMergedOcc 0
