0 mol 18 unq 0 iso 0 dist 7.37356 6.82841 5.65084 9.12848 4.25207 6.39307 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 12.2829 5.59268 8.27137 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 12.2054 9.84195 9.81143 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 12.2054 9.84195 9.78839 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 5.84326 11.3819 9.2898 13.0152 7.82856 7.93171 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.56124 4.56271 6.53308 11.1234 6.46605 7.55644 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 6.86713 5.89506 8.57395 9.89353 5.69671 9.70292 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 6.86713 6.40728 9.85409 9.89353 5.69671 9.59704 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.42474 6.59976 5.56994 9.83223 4.34071 4.77996 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.79157 7.97297 8.69531 8.49649 6.36794 8.78303 numMergedOcc 0
10 mol 139 unq 0 iso 0 dist 5.11962 5.21231 5.80789 9.58468 5.30274 7.02063 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 8.86346 10.4327 7.18002 14.6986 7.17402 9.15758 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 4.93681 8.64092 7.18002 11.4403 7.17402 9.15758 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.34207 13.1744 8.33439 11.6941 5.5065 5.06116 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.52413 6.21482 7.2793 6.22466 11.7795 6.52441 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 8.22331 7.56497 6.0033 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 9.96544 9.66766 6.86828 8.22331 5.66137 6.0033 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.57514 12.7286 6.49765 12.7057 4.2475 6.41148 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.57514 12.7286 6.49765 14.4031 6.8901 5.06713 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 6.11505 12.0822 6.49765 9.86224 4.2475 6.41148 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 6.11505 12.0822 6.49765 12.7533 6.8901 5.06713 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 16.8223 9.20928 7.25438 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 6.48196 5.17683 8.51625 4.91191 6.52848 7.1229 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 6.48196 5.17683 8.51625 10.3801 5.51 9.55705 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 6.65233 6.04707 8.29262 13.5684 13.8765 9.13546 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 6.65233 6.04707 8.29262 9.7518 6.12009 7.19658 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.79022 4.3735 6.31969 11.7493 8.50795 8.89714 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.82717 13.1909 7.80862 9.33149 4.16039 5.09181 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 8.33653 12.4844 7.80862 11.4425 4.16039 5.09181 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 6.44657 7.67857 7.80862 5.77107 4.16039 5.09181 numMergedOcc 0
