0 mol 6 unq 0 iso 0 dist 9.38351 9.47965 4.59751 16.6659 8.15992 11.5544 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 11.3291 7.99434 13.9056 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.61357 8.69443 12.9966 7.53537 8.185 11.3665 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.73908 6.88786 9.86454 7.27578 5.26566 10.895 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.73908 6.88786 9.86454 5.66182 6.27118 11.957 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 11.1342 9.85386 15.65 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.09675 6.70925 7.78899 8.22845 4.8983 6.8173 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 9.02753 8.95756 7.78899 10.0544 9.85386 15.65 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 9.02753 8.95756 7.78899 6.96897 4.8983 6.8173 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 11.0283 6.34669 9.22123 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 10.0473 9.51771 9.61193 numMergedOcc 0
11 mol 102 unq 1 iso 0 dist 9.22651 9.54857 6.93587 10.0473 9.51771 15.01 numMergedOcc 0
12 mol 102 unq 2 iso 0 dist 5.32892 7.58908 6.43211 7.08749 9.51771 9.61193 numMergedOcc 0
13 mol 102 unq 3 iso 0 dist 5.32892 9.32058 6.93587 7.08749 9.51771 15.01 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 8.56386 9.28454 10.9839 10.941 8.40918 16.6462 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 8.56386 7.97266 9.13867 10.941 8.40918 11.8291 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.09918 8.89412 4.1643 5.78374 7.75833 6.94015 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 4.69402 8.63817 5.16554 5.56456 6.67937 9.88156 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.96416 9.63488 15.8182 8.87194 9.35049 18.3567 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 9.28415 6.32669 7.38452 15.6885 9.57243 16.4774 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.28415 6.32669 7.38452 7.06015 8.12558 7.53168 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 5.62891 9.74969 7.72755 3.96406 9.00461 12.2374 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 6.58331 7.80268 12.1223 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 9.15795 9.92635 6.08414 6.58331 7.80268 4.77438 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.72128 9.86506 15.1826 5.46887 7.80268 15.2029 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 8.72128 7.86724 11.7914 5.46887 7.80268 12.1223 numMergedOcc 0
26 mol 183 unq 4 iso 0 dist 8.72128 7.85507 6.08414 5.46887 7.80268 4.77438 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 5.31333 9.89709 9.79728 12.2056 8.99777 12.9744 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 16.6893 8.77524 19.9526 numMergedOcc 0
29 mol 217 unq 0 iso 0 dist 8.72578 5.89788 10.8948 8.03625 7.94351 13.4849 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 9.53211 9.91271 6.33602 3.29359 9.3491 9.32492 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 10.5232 8.13393 9.72798 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 5.42266 8.73403 11.8073 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 5.42266 8.73403 11.8073 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 5.42266 8.73403 11.8073 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 8.55037 5.27236 9.06411 3.83842 9.49562 8.58048 numMergedOcc 0
36 mol 294 unq 1 iso 0 dist 5.71656 5.27236 7.05161 3.83842 8.32582 8.58048 numMergedOcc 0
