0 mol 18 unq 0 iso 0 dist 6.39307 4.25207 5.65084 4.49033 5.04478 7.04695 12.5137 10.6819 14.8965 9.35863 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 6.77783 9.06516 14.1424 13.0329 9.56136 14.8894 6.79475 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 14.4774 7.79336 5.32981 21.9556 13.1232 13.6509 8.38156 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.81143 9.84195 7.18022 14.4774 7.79336 5.32981 9.78839 3.39994 6.24711 7.08559 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.78839 9.84195 6.24711 14.4774 7.08559 5.32981 21.9556 12.7516 13.6509 8.38156 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 9.78839 9.84195 6.24711 14.4774 7.08559 5.32981 9.81143 3.39994 7.18022 7.79336 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 10.1263 5.47706 4.92509 14.2511 7.95975 11.5776 8.89842 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 7.32064 7.17843 6.85523 10.1263 5.47706 4.92509 5.85007 8.2592 5.77326 8.07568 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 7.32064 13.1649 8.65848 10.1263 5.47706 5.22036 14.2511 7.95975 7.25801 8.89842 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 7.32064 13.1649 8.65848 10.1263 5.47706 5.22036 5.85007 8.2592 12.35 8.07568 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 4.62314 4.4651 6.85523 6.88255 5.47706 4.92509 10.6907 7.95975 11.5776 8.89842 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 4.62314 4.4651 6.85523 6.88255 5.47706 4.92509 6.35234 8.2592 5.77326 8.07568 numMergedOcc 0
12 mol 78 unq 6 iso 0 dist 4.62314 9.31889 8.65848 6.88255 5.47706 5.22036 10.6907 7.95975 7.25801 8.89842 numMergedOcc 0
13 mol 78 unq 7 iso 0 dist 4.62314 9.31889 8.65848 6.88255 5.47706 5.22036 6.35234 8.2592 12.35 8.07568 numMergedOcc 0
14 mol 78 unq 8 iso 0 dist 5.85007 7.17843 5.77326 10.1263 8.07568 4.92509 7.32064 8.2592 6.85523 5.47706 numMergedOcc 0
15 mol 78 unq 9 iso 0 dist 5.85007 7.17843 5.77326 10.1263 8.07568 4.92509 14.2511 15.4762 11.5776 8.89842 numMergedOcc 0
16 mol 78 unq 10 iso 0 dist 6.35234 4.4651 5.77326 6.88255 8.07568 4.92509 4.62314 8.2592 6.85523 5.47706 numMergedOcc 0
17 mol 78 unq 11 iso 0 dist 6.35234 4.4651 5.77326 6.88255 8.07568 4.92509 10.6907 15.4762 11.5776 8.89842 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 4.45424 4.44979 12.0058 10.5543 6.70343 14.0897 6.61111 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.33961 12.7318 7.54889 4.45424 4.44979 10.0962 10.5543 6.70343 5.2571 6.61111 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.33961 12.3835 7.78931 4.45424 4.44979 11.2452 10.5543 6.70343 8.7497 6.61111 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 8.3505 4.75138 5.10496 12.8333 6.61111 8.70415 14.2657 6.70343 9.81956 4.44979 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 8.3505 10.4417 5.92242 12.8333 6.61111 9.74284 14.2657 6.70343 10.8223 4.44979 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 8.3505 11.3628 5.2571 12.8333 6.61111 10.0962 14.2657 6.70343 7.54889 4.44979 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 8.3505 13.9599 8.7497 12.8333 6.61111 11.2452 14.2657 6.70343 7.78931 4.44979 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 9.29816 5.70962 9.64383 9.31771 4.44979 12.0058 12.9554 6.70343 14.0897 6.61111 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 9.29816 14.676 7.54889 9.31771 4.44979 10.0962 12.9554 6.70343 5.2571 6.61111 numMergedOcc 0
27 mol 98 unq 9 iso 0 dist 9.29816 16.3389 7.78931 9.31771 4.44979 11.2452 12.9554 6.70343 8.7497 6.61111 numMergedOcc 0
28 mol 98 unq 10 iso 0 dist 5.08983 10.1978 9.64383 9.47873 4.44979 12.0058 9.58039 6.70343 14.0897 6.61111 numMergedOcc 0
29 mol 98 unq 11 iso 0 dist 5.08983 7.1452 7.54889 9.47873 4.44979 10.0962 9.58039 6.70343 5.2571 6.61111 numMergedOcc 0
30 mol 98 unq 12 iso 0 dist 5.08983 4.96747 7.78931 9.47873 4.44979 11.2452 9.58039 6.70343 8.7497 6.61111 numMergedOcc 0
31 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 6.40435 6.12922 6.35364 9.80187 5.11 9.05166 8.91262 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 11.5532 7.43401 5.3585 10.6236 5.83782 11.0808 6.44575 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 11.5532 7.43401 6.74887 10.6236 5.83782 9.1998 6.44575 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 6.48993 6.64464 6.84752 4.0737 7.30954 7.69326 11.1687 6.81449 10.5499 9.1326 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 6.48993 5.70785 7.86563 4.0737 7.30954 9.46955 11.1687 6.81449 14.1851 9.1326 numMergedOcc 0
36 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 4.0737 7.30954 6.36909 11.1687 6.81449 7.20495 9.1326 numMergedOcc 0
37 mol 233 unq 0 iso 0 dist 7.1229 6.52848 8.51625 5.3674 6.01775 8.96098 8.7831 8.23358 14.3009 8.24424 numMergedOcc 0
38 mol 233 unq 1 iso 0 dist 7.1229 6.52848 8.51625 5.3674 6.01775 8.96098 9.61071 6.91967 14.2 7.0942 numMergedOcc 0
39 mol 233 unq 2 iso 0 dist 9.55705 5.51 8.51625 9.76593 6.01775 8.96098 16.7057 8.23358 14.3009 8.24424 numMergedOcc 0
40 mol 233 unq 3 iso 0 dist 9.55705 5.51 8.51625 9.76593 6.01775 8.96098 15.4153 6.91967 14.2 7.0942 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 4.09442 6.23661 5.79468 10.7775 8.0048 11.7465 8.84648 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 4.09442 6.23661 5.31048 10.7775 8.0048 8.03219 8.84648 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 11.3673 4.99426 11.3379 5.84792 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 14.9066 8.21724 14.1177 8.73515 numMergedOcc 0
