0 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 7.16903 6.50337 5.64498 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.51865 8.58657 6.74265 10.3465 10.7864 5.64498 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 6.864 8.58657 5.5841 10.3465 6.50337 5.64498 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 4.11544 7.742 9.32294 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 4.91588 7.742 9.32294 numMergedOcc 0
5 mol 45 unq 2 iso 0 dist 7.58835 6.34173 5.67689 4.91588 11.975 9.32294 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.5732 8.71128 5.80557 9.48108 13.2393 9.18917 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 7.35754 7.52743 4.77056 3.9247 8.06359 9.18917 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 10.3233 15.6209 9.6234 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 10.3986 15.6801 9.79579 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 10.3986 16.0174 9.79579 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 6.11741 7.64585 10.8939 10.3233 16.2586 9.6234 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 6.11741 6.99777 10.8292 8.7198 14.7972 9.82136 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 8.7198 13.5988 9.82136 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 6.05056 10.1107 8.13163 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 5.31024 9.07935 9.49653 6.24222 10.1107 8.13163 numMergedOcc 0
16 mol 142 unq 2 iso 0 dist 7.73169 7.15475 7.53854 6.05056 11.3512 8.13163 numMergedOcc 0
17 mol 142 unq 3 iso 0 dist 7.26382 9.07935 7.53854 6.24222 11.3512 8.13163 numMergedOcc 0
18 mol 142 unq 4 iso 0 dist 8.96657 7.15475 10.3477 6.05056 14.5043 8.13163 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 10.8461 14.6553 9.71155 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 9.08145 15.6088 8.64209 numMergedOcc 0
21 mol 197 unq 2 iso 0 dist 8.56633 8.99696 9.82139 4.91336 11.5739 9.28658 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 8.01589 6.82208 4.8892 8.6493 11.9662 7.95899 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 7.7699 6.82208 11.0074 8.6493 15.6298 7.95899 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 7.21333 6.82208 12.2813 8.6493 14.0597 7.95899 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 13.798 10.1659 6.38497 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 10.9445 10.1659 9.15202 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 10.9445 10.1659 6.38497 numMergedOcc 0
28 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 13.798 14.039 6.38497 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 5.95978 13.3633 9.30976 numMergedOcc 0
30 mol 248 unq 1 iso 0 dist 7.21521 6.07192 5.51827 5.95978 11.6816 9.30976 numMergedOcc 0
31 mol 248 unq 2 iso 0 dist 8.2965 6.07192 9.29921 5.95978 10.4967 9.30976 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 8.1148 7.66365 4.23801 5.92525 10.42 9.56376 numMergedOcc 0
33 mol 252 unq 1 iso 0 dist 8.33025 7.66365 9.37715 5.92525 12.4205 9.56376 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 9.361 9.0012 9.74238 14.5632 15.0114 7.26094 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 6.24356 9.0012 5.12409 14.5632 8.48407 7.26094 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.97651 6.16449 4.72202 5.99934 13.7372 9.33725 numMergedOcc 0
37 mol 272 unq 1 iso 0 dist 8.46116 6.16449 8.52877 5.99934 12.4864 9.33725 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 6.55065 8.98154 7.64724 numMergedOcc 0
