0 mol 26 unq 0 iso 0 dist 6.67455 9.7522 5.71065 9.90986 4.80254 7.11305 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 9.84967 5.5814 8.81758 8.98564 11.4985 5.53425 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 9.84967 5.5814 8.81758 7.51725 5.56089 4.20285 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.44869 9.96265 16.087 7.61923 14.1388 6.16718 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 9.17447 9.70459 8.36953 5.11941 4.6365 6.16718 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 7.09184 8.94945 8.95233 8.28839 5.66383 4.27178 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.09184 8.94945 8.95233 7.07396 4.5476 11.6765 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.41861 6.4551 10.6009 6.63973 6.1999 6.77898 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.73946 5.02717 4.75197 6.31773 5.34438 5.03039 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 5.16531 6.38163 6.13737 6.53559 9.54936 6.28232 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 5.16531 6.38163 6.13737 7.90844 9.63929 12.3705 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 5.74058 5.49877 5.21262 5.82945 6.5713 4.97996 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 8.65008 7.26897 11.181 5.06116 7.59527 5.68978 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.22494 4.44292 5.88096 7.25009 12.7495 7.10286 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 6.09291 9.46833 6.21354 6.00783 7.58935 6.52671 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.85777 6.752 12.019 6.41148 6.16492 8.67921 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 8.47833 6.752 5.58339 6.41148 10.1222 8.67921 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 5.05912 6.752 4.37383 6.41148 9.99561 8.67921 numMergedOcc 0
18 mol 205 unq 3 iso 0 dist 5.47586 8.10287 7.78052 5.06713 10.1222 8.90569 numMergedOcc 0
19 mol 205 unq 4 iso 0 dist 5.47586 8.10287 7.78052 8.69512 10.4922 6.37317 numMergedOcc 0
20 mol 205 unq 5 iso 0 dist 5.47586 5.4913 5.58339 5.06713 10.1222 8.67921 numMergedOcc 0
21 mol 205 unq 6 iso 0 dist 5.47586 5.4913 5.58339 8.69512 10.4922 12.8695 numMergedOcc 0
22 mol 205 unq 7 iso 0 dist 6.60429 8.10287 13.0749 5.06713 9.99561 8.90569 numMergedOcc 0
23 mol 205 unq 8 iso 0 dist 6.60429 8.10287 13.0749 8.69512 15.2328 6.37317 numMergedOcc 0
24 mol 205 unq 9 iso 0 dist 6.60429 5.4913 4.37383 5.06713 9.99561 8.67921 numMergedOcc 0
25 mol 205 unq 10 iso 0 dist 6.60429 5.4913 4.37383 8.69512 15.2328 12.8695 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 8.09185 5.87223 5.3615 5.03184 7.52135 3.9436 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 4.87053 7.85877 9.84386 8.86886 6.4817 8.34852 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 9.88041 9.42743 4.88404 9.58403 10.5069 11.815 numMergedOcc 0
29 mol 237 unq 1 iso 0 dist 9.88041 9.5822 16.3512 9.58403 10.5069 7.94861 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 5.83514 9.66555 10.3683 6.96382 4.70535 6.82305 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 9.06357 7.65388 16.3995 9.11416 16.2635 6.89444 numMergedOcc 0
