0 mol 18 unq 0 iso 0 dist 6.39307 4.49033 5.04478 12.5137 10.6819 9.35863 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 6.77783 9.06516 13.0329 9.56136 6.79475 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.22183 4.82659 6.79475 12.6141 9.56136 9.06516 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.81143 14.4774 7.79336 21.9556 13.1232 8.38156 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.81143 14.4774 7.79336 9.78839 3.39994 7.08559 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 9.78839 14.4774 7.08559 21.9556 12.7516 8.38156 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 9.78839 14.4774 7.08559 9.81143 3.39994 7.79336 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.01601 15.5086 8.35444 21.5913 13.6068 6.52887 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 7.32064 10.1263 5.47706 14.2511 7.95975 8.89842 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 7.32064 10.1263 5.47706 5.85007 8.2592 8.07568 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 4.62314 6.88255 5.47706 10.6907 7.95975 8.89842 numMergedOcc 0
11 mol 78 unq 3 iso 0 dist 4.62314 6.88255 5.47706 6.35234 8.2592 8.07568 numMergedOcc 0
12 mol 78 unq 4 iso 0 dist 5.85007 10.1263 8.07568 7.32064 8.2592 5.47706 numMergedOcc 0
13 mol 78 unq 5 iso 0 dist 5.85007 10.1263 8.07568 14.2511 15.4762 8.89842 numMergedOcc 0
14 mol 78 unq 6 iso 0 dist 6.35234 6.88255 8.07568 4.62314 8.2592 5.47706 numMergedOcc 0
15 mol 78 unq 7 iso 0 dist 6.35234 6.88255 8.07568 10.6907 15.4762 8.89842 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 10.5543 6.70343 6.61111 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 8.3505 12.8333 6.61111 14.2657 6.70343 4.44979 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 9.29816 9.31771 4.44979 12.9554 6.70343 6.61111 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 5.08983 9.47873 4.44979 9.58039 6.70343 6.61111 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 4.77996 6.40435 6.12922 9.80187 5.11 8.91262 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 14.6053 12.7135 9.08536 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 8.78303 11.5532 7.43401 10.6236 5.83782 6.44575 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 11.1687 6.81449 9.1326 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 8.7831 5.3674 8.24424 9.61071 3.55463 7.0942 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 8.7831 5.3674 8.24424 7.1229 8.23358 6.01775 numMergedOcc 0
26 mol 233 unq 2 iso 0 dist 9.61071 5.3674 7.0942 8.7831 3.55463 8.24424 numMergedOcc 0
27 mol 233 unq 3 iso 0 dist 9.61071 5.3674 7.0942 7.1229 6.91967 6.01775 numMergedOcc 0
28 mol 233 unq 4 iso 0 dist 7.1229 5.3674 6.01775 8.7831 8.23358 8.24424 numMergedOcc 0
29 mol 233 unq 5 iso 0 dist 7.1229 5.3674 6.01775 9.61071 6.91967 7.0942 numMergedOcc 0
30 mol 233 unq 6 iso 0 dist 9.55705 9.76593 6.01775 16.7057 8.23358 8.24424 numMergedOcc 0
31 mol 233 unq 7 iso 0 dist 9.55705 9.76593 6.01775 15.4153 6.91967 7.0942 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.96382 8.92175 7.24334 12.6412 11.1752 5.43613 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 10.7775 8.0048 8.84648 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 7.78796 7.69175 6.1905 11.3673 4.99426 5.84792 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 7.78796 7.69175 6.1905 14.9066 8.21724 8.73515 numMergedOcc 0
