0 mol 19 unq 0 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 10.3465 10.7864 6.50337 5.64498 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 10.3465 6.50337 10.7864 5.64498 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 4.91588 7.742 11.975 9.32294 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 7.58835 7.2846 8.81358 6.34173 5.67689 4.71384 4.91588 11.975 7.742 9.32294 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 7.64585 10.2377 10.8939 10.3233 15.6209 16.2586 9.6234 numMergedOcc 0
5 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 7.64585 10.8939 10.2377 10.3233 16.2586 15.6209 9.6234 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 10.3986 15.6801 16.0174 9.79579 numMergedOcc 0
7 mol 115 unq 1 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.3986 16.0174 15.6801 9.79579 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.7198 14.7972 13.5988 9.82136 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 8.7198 13.5988 14.7972 9.82136 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.15475 9.49653 7.53854 6.05056 10.1107 11.3512 8.13163 numMergedOcc 0
11 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 7.15475 7.53854 9.49653 6.05056 11.3512 10.1107 8.13163 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.2313 8.96657 11.1395 7.15475 9.49653 10.3477 6.05056 10.1107 14.5043 8.13163 numMergedOcc 0
13 mol 142 unq 1 iso 1 dist 8.96657 9.2313 11.1395 7.15475 10.3477 9.49653 6.05056 14.5043 10.1107 8.13163 numMergedOcc 0
14 mol 142 unq 2 iso 0 dist 5.31024 7.26382 5.50998 9.07935 9.49653 7.53854 6.24222 10.1107 11.3512 8.13163 numMergedOcc 0
15 mol 142 unq 2 iso 1 dist 7.26382 5.31024 5.50998 9.07935 7.53854 9.49653 6.24222 11.3512 10.1107 8.13163 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 7.73169 8.96657 5.92693 7.15475 7.53854 10.3477 6.05056 11.3512 14.5043 8.13163 numMergedOcc 0
17 mol 142 unq 1 iso 1 dist 8.96657 7.73169 5.92693 7.15475 10.3477 7.53854 6.05056 14.5043 11.3512 8.13163 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.01589 7.7699 10.4579 6.82208 4.8892 11.0074 8.6493 11.9662 15.6298 7.95899 numMergedOcc 0
19 mol 222 unq 0 iso 1 dist 7.7699 8.01589 10.4579 6.82208 11.0074 4.8892 8.6493 15.6298 11.9662 7.95899 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 8.01589 7.21333 13.3522 6.82208 4.8892 12.2813 8.6493 11.9662 14.0597 7.95899 numMergedOcc 0
21 mol 222 unq 1 iso 1 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 8.6493 14.0597 11.9662 7.95899 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 7.7699 7.21333 5.24516 6.82208 11.0074 12.2813 8.6493 15.6298 14.0597 7.95899 numMergedOcc 0
23 mol 222 unq 1 iso 1 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 8.6493 14.0597 15.6298 7.95899 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 13.798 10.1659 14.039 6.38497 numMergedOcc 0
25 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 8.17891 9.13836 6.43754 13.798 14.039 10.1659 6.38497 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 6.07192 6.48757 5.51827 5.95978 13.3633 11.6816 9.30976 numMergedOcc 0
27 mol 248 unq 0 iso 1 dist 7.21521 7.69895 5.55137 6.07192 5.51827 6.48757 5.95978 11.6816 13.3633 9.30976 numMergedOcc 0
28 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 6.07192 6.48757 9.29921 5.95978 13.3633 10.4967 9.30976 numMergedOcc 0
29 mol 248 unq 1 iso 1 dist 8.2965 7.69895 10.8081 6.07192 9.29921 6.48757 5.95978 10.4967 13.3633 9.30976 numMergedOcc 0
30 mol 248 unq 1 iso 0 dist 7.21521 8.2965 5.86196 6.07192 5.51827 9.29921 5.95978 11.6816 10.4967 9.30976 numMergedOcc 0
31 mol 248 unq 1 iso 1 dist 8.2965 7.21521 5.86196 6.07192 9.29921 5.51827 5.95978 10.4967 11.6816 9.30976 numMergedOcc 0
32 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 5.92525 10.42 12.4205 9.56376 numMergedOcc 0
33 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 5.92525 12.4205 10.42 9.56376 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 9.361 6.24356 10.3202 9.0012 9.74238 5.12409 14.5632 15.0114 8.48407 7.26094 numMergedOcc 0
35 mol 264 unq 0 iso 1 dist 6.24356 9.361 10.3202 9.0012 5.12409 9.74238 14.5632 8.48407 15.0114 7.26094 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.97651 8.46116 8.12676 6.16449 4.72202 8.52877 5.99934 13.7372 12.4864 9.33725 numMergedOcc 0
37 mol 272 unq 0 iso 1 dist 8.46116 9.97651 8.12676 6.16449 8.52877 4.72202 5.99934 12.4864 13.7372 9.33725 numMergedOcc 0
