0 mol 46 unq 0 iso 0 dist 9.81193 8.16183 5.8481 5.2568 6.67753 3.7765 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.78475 9.07969 5.61827 9.54119 7.17582 4.91531 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.78475 9.07969 5.61827 7.87476 10.6665 11.0434 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 7.78475 9.61448 8.4772 9.54119 7.17582 4.38297 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 7.78475 9.61448 8.4772 7.87476 10.6665 12.4168 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 6.99001 8.94842 5.20775 9.77004 7.06935 5.22869 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 6.99001 8.94842 5.20775 8.36323 10.6648 11.1154 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 6.99001 9.9555 8.11954 9.77004 7.06935 4.48872 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 6.99001 9.9555 8.11954 8.36323 10.6648 12.8399 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 9.22331 8.77624 6.23298 9.07614 3.23074 4.73277 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 6.34966 7.95428 9.87177 4.90093 3.99506 6.35584 numMergedOcc 0
11 mol 68 unq 1 iso 0 dist 6.34966 5.88256 7.71726 4.90093 3.99506 3.74917 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 6.84747 8.44819 5.98647 4.86696 7.74121 5.61023 numMergedOcc 0
13 mol 76 unq 1 iso 0 dist 7.75436 8.44819 10.4345 4.86696 9.58222 5.61023 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.35385 4.33805 11.0215 9.80185 3.80763 13.0092 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.35864 4.33805 10.7779 9.80185 9.98068 13.0092 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 5.5781 8.41645 6.21643 8.58178 4.82566 7.2705 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 5.5781 8.41645 6.21643 4.77438 3.74873 8.51377 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 5.5781 8.41645 6.21643 5.73344 5.77609 11.2827 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 5.0207 9.16535 10.6777 8.98606 6.04545 14.5445 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.32556 6.5608 5.89893 6.11886 5.89269 3.41783 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 9.28689 6.5608 7.25529 6.11886 5.27881 3.41783 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 9.1654 6.5608 11.3488 6.11886 10.7019 3.41783 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.68253 9.432 4.11062 8.33309 3.64991 4.64981 numMergedOcc 0
24 mol 247 unq 0 iso 0 dist 9.9667 7.95874 14.8141 9.42253 3.56192 14.312 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 9.56846 7.4261 12.9257 8.43724 9.71158 9.98348 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 5.92532 8.18813 6.64795 9.48076 12.1127 17.1919 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 6.72935 4.86946 3.97454 9.14721 8.59329 6.18318 numMergedOcc 0
28 mol 283 unq 1 iso 0 dist 6.72935 4.86946 3.97454 7.15322 6.1459 3.34167 numMergedOcc 0
