0 mol 26 unq 0 iso 0 dist 9.22183 4.82659 6.79475 12.6141 9.56136 9.06516 18.8212 14.8894 14.1424 9.12845 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.81143 14.4774 7.79336 9.78839 3.39994 7.08559 9.84195 7.18022 5.32981 6.24711 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.78839 14.4774 7.08559 9.81143 3.39994 7.79336 9.84195 6.24711 5.32981 7.18022 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 7.32064 10.1263 5.47706 14.2511 7.95975 8.89842 13.1649 8.65848 5.22036 7.25801 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 7.32064 10.1263 5.47706 5.85007 8.2592 8.07568 7.17843 6.85523 4.92509 5.77326 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 4.62314 6.88255 5.47706 10.6907 7.95975 8.89842 9.31889 8.65848 5.22036 7.25801 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 4.62314 6.88255 5.47706 6.35234 8.2592 8.07568 4.4651 6.85523 4.92509 5.77326 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 5.85007 10.1263 8.07568 7.32064 8.2592 5.47706 7.17843 5.77326 4.92509 6.85523 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 5.85007 10.1263 8.07568 7.32064 8.2592 5.47706 13.1649 12.35 5.22036 8.65848 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 5.85007 10.1263 8.07568 14.2511 15.4762 8.89842 13.1649 12.35 5.22036 7.25801 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 6.35234 6.88255 8.07568 4.62314 8.2592 5.47706 4.4651 5.77326 4.92509 6.85523 numMergedOcc 0
11 mol 78 unq 8 iso 0 dist 6.35234 6.88255 8.07568 4.62314 8.2592 5.47706 9.31889 12.35 5.22036 8.65848 numMergedOcc 0
12 mol 78 unq 9 iso 0 dist 6.35234 6.88255 8.07568 10.6907 15.4762 8.89842 9.31889 12.35 5.22036 7.25801 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 10.5543 6.70343 6.61111 12.3919 9.81956 8.70415 5.10496 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.33961 4.45424 4.44979 10.5543 6.70343 6.61111 13.8659 10.8223 9.74284 5.92242 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 5.33961 4.45424 4.44979 10.5543 6.70343 6.61111 12.7318 7.54889 10.0962 5.2571 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.33961 4.45424 4.44979 10.5543 6.70343 6.61111 12.3835 7.78931 11.2452 8.7497 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 8.3505 12.8333 6.61111 14.2657 6.70343 4.44979 22.4143 14.0897 12.0058 9.64383 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 8.3505 12.8333 6.61111 14.2657 6.70343 4.44979 11.3628 5.2571 10.0962 7.54889 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 8.3505 12.8333 6.61111 14.2657 6.70343 4.44979 13.9599 8.7497 11.2452 7.78931 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 9.29816 9.31771 4.44979 12.9554 6.70343 6.61111 17.0916 9.81956 8.70415 5.10496 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 9.29816 9.31771 4.44979 12.9554 6.70343 6.61111 12.7455 10.8223 9.74284 5.92242 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 9.29816 9.31771 4.44979 12.9554 6.70343 6.61111 14.676 7.54889 10.0962 5.2571 numMergedOcc 0
23 mol 98 unq 10 iso 0 dist 9.29816 9.31771 4.44979 12.9554 6.70343 6.61111 16.3389 7.78931 11.2452 8.7497 numMergedOcc 0
24 mol 98 unq 11 iso 0 dist 5.08983 9.47873 4.44979 9.58039 6.70343 6.61111 12.4265 9.81956 8.70415 5.10496 numMergedOcc 0
25 mol 98 unq 12 iso 0 dist 5.08983 9.47873 4.44979 9.58039 6.70343 6.61111 14.0653 10.8223 9.74284 5.92242 numMergedOcc 0
26 mol 98 unq 13 iso 0 dist 5.08983 9.47873 4.44979 9.58039 6.70343 6.61111 7.1452 7.54889 10.0962 5.2571 numMergedOcc 0
27 mol 98 unq 14 iso 0 dist 5.08983 9.47873 4.44979 9.58039 6.70343 6.61111 4.96747 7.78931 11.2452 8.7497 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 4.77996 6.40435 6.12922 9.80187 5.11 8.91262 4.34071 5.56994 6.35364 9.05166 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 14.6053 12.7135 9.08536 21.5844 20.5378 16.7975 8.95212 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 5.90003 6.02826 6.55202 14.6053 12.7135 9.08536 10.8613 11.2897 7.36192 6.99446 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 5.90003 6.02826 6.55202 14.6053 12.7135 9.08536 13.6062 12.31 10.6679 7.64052 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.78303 11.5532 7.43401 10.6236 5.83782 6.44575 15.5462 9.70973 5.31077 6.42772 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 8.78303 11.5532 7.43401 10.6236 5.83782 6.44575 6.36794 8.69531 6.74887 9.1998 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 8.78303 11.5532 7.43401 10.6236 5.83782 6.44575 5.73965 10.3432 10.9715 8.70621 numMergedOcc 0
35 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 11.1687 6.81449 9.1326 7.91498 7.02548 6.36909 7.20495 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 8.7831 5.3674 8.24424 7.1229 8.23358 6.01775 6.52848 14.3009 8.96098 8.51625 numMergedOcc 0
37 mol 233 unq 1 iso 0 dist 9.61071 5.3674 7.0942 7.1229 6.91967 6.01775 6.52848 14.2 8.96098 8.51625 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.96382 8.92175 7.24334 12.6412 11.1752 5.43613 6.34091 8.63015 5.54325 6.99888 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.96382 8.92175 7.24334 12.6412 11.1752 5.43613 12.2428 10.1172 5.17471 9.08509 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 10.7775 8.0048 8.84648 5.59901 6.9899 5.31048 8.03219 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 7.78796 7.69175 6.1905 11.3673 4.99426 5.84792 19.2839 14.4052 12.1551 9.46442 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 7.78796 7.69175 6.1905 14.9066 8.21724 8.73515 24.6261 17.5894 18.0293 9.9182 numMergedOcc 0
43 mol 292 unq 2 iso 0 dist 7.78796 7.69175 6.1905 14.9066 8.21724 8.73515 19.2839 14.4052 12.1551 7.30758 numMergedOcc 0
44 mol 292 unq 3 iso 0 dist 7.78796 7.69175 6.1905 14.9066 8.21724 8.73515 17.0074 12.0935 10.8709 9.10788 numMergedOcc 0
