0 mol 7 unq 0 iso 0 dist 9.87885 10.2446 8.15894 6.36911 7.92429 7.45262 5.03847 11.2901 10.1959 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.87885 12.3097 8.45544 6.36911 7.92429 6.96586 5.03847 11.2901 13.9514 9.97624 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.1206 5.44992 8.15894 9.36807 7.92429 7.45262 13.8829 11.2901 10.1959 9.97624 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 6.1206 4.74523 8.45544 9.36807 7.92429 6.96586 13.8829 11.2901 13.9514 9.97624 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 5.8245 3.98483 7.05919 8.47421 3.91075 8.04924 9.5997 10.9352 7.28672 9.57198 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 5.94756 6.18811 7.72462 6.99408 4.51883 7.95778 8.26635 10.1089 6.19841 7.21995 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 5.94756 6.18811 7.72462 6.99408 4.51883 7.95778 13.4503 13.3858 10.493 9.62637 numMergedOcc 0
7 mol 74 unq 0 iso 0 dist 7.93281 4.79817 6.3567 8.96501 5.38404 4.79413 8.1988 11.9224 5.74282 8.48471 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 9.16718 7.33596 7.44838 12.1449 4.67929 7.20953 11.0132 7.77089 4.22355 5.03173 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 7.94633 8.22667 7.44838 10.5412 4.67929 7.20953 9.96719 7.77089 4.22355 5.03173 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.7144 5.6074 7.59156 6.73814 4.81369 8.11094 13.7032 13.8288 11.4429 9.83981 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.04595 5.61704 8.4965 11.695 13.2709 9.9928 13.2157 15.3664 9.18958 5.60389 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.37047 9.23795 8.612 9.27292 4.38322 7.88655 6.48978 5.06564 6.60479 6.46089 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 7.88013 5.48276 7.79115 6.90541 6.39872 7.48284 10.5721 11.506 5.87427 9.33696 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.1945 16.6392 9.87668 17.6316 13.317 7.29542 15.234 11.432 6.59663 7.73748 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 6.50998 4.76151 9.87668 10.7328 13.317 7.29542 7.17211 11.432 6.59663 7.73748 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 9.09424 4.76151 8.42121 10.7328 10.43 7.29542 7.17211 13.1625 6.59663 7.73748 numMergedOcc 0
17 mol 225 unq 3 iso 0 dist 8.14831 4.76151 4.98402 10.7328 10.7885 7.29542 7.17211 10.351 6.59663 7.73748 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 5.23634 10.5813 9.43618 8.17891 4.09934 7.1372 10.9607 8.91971 4.59123 7.57454 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 6.91318 7.22396 9.43618 6.95902 4.09934 7.1372 9.72615 8.91971 4.59123 7.57454 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.19317 11.5211 9.11454 6.98084 4.47008 9.31673 6.82855 8.97952 5.92143 7.31773 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 5.1823 6.65703 9.11454 7.32211 4.47008 9.31673 6.46722 8.97952 5.92143 7.31773 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 6.31969 5.9476 5.4307 10.3657 4.42663 6.94131 7.81483 5.61969 9.76492 8.85779 numMergedOcc 0
