0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 8.70141 4.33963 5.11135 4.93188 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 8.70141 4.33963 5.11135 9.24958 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 10.9853 5.97304 7.56164 6.60423 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 5.97432 10.1525 6.86525 6.90155 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 5.97432 7.63409 6.86525 5.81959 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 5.97432 8.4666 6.86525 5.81959 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 17.8374 10.6756 17.7014 5.69955 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 13.1078 13.2876 20.7435 8.44506 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 6.53623 7.38797 14.291 13.0117 6.6504 18.2242 7.77916 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 11.1443 7.21418 8.80697 5.74857 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 14.361 7.3094 15.3824 5.72642 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 9.15988 3.78311 11.6348 7.77116 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 11.14 6.67948 11.6694 8.03372 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 11.14 6.67948 14.8192 8.03372 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 7.39532 5.97111 6.76477 8.33077 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 10.1423 5.89022 5.30999 8.86329 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 10.1423 5.89022 5.30999 8.71039 numMergedOcc 0
17 mol 131 unq 2 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 10.5132 9.32969 12.0894 6.92648 numMergedOcc 0
18 mol 131 unq 3 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 10.5132 9.32969 12.0894 9.29384 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 16.5342 9.35627 15.9476 9.77552 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 16.5342 9.35627 15.9476 8.28642 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 18.2547 12.9587 24.8156 8.38865 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 9.30828 7.00028 8.32937 8.50331 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 16.6013 12.3808 13.0611 7.32982 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 13.3717 12.3808 13.0611 7.32982 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 15.1827 10.216 11.4389 5.64181 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 9.30428 7.31951 7.32929 8.59697 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 9.30428 7.31951 9.55426 8.59697 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 7.65671 5.90436 5.95496 9.56685 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 7.3996 9.27829 7.78084 8.49922 numMergedOcc 0
