0 mol 43 unq 0 iso 0 dist 8.06275 9.72346 9.86609 7.62357 9.02471 14.5234 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 9.85325 4.7874 10.2533 4.86198 6.79423 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.29446 9.9934 15.5077 13.5358 7.69072 21.1253 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 4.96173 11.3522 12.0126 5.42067 14.2282 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.70686 4.96173 10.0591 12.0126 7.36435 14.2282 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 7.90775 8.6356 7.82258 6.56529 7.51733 10.6299 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 9.83758 6.34994 11.2375 9.06601 4.91212 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 6.34542 9.83758 6.34994 6.87591 5.98809 9.34782 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.2443 6.36631 6.54263 4.8668 8.99912 4.49669 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 7.2443 6.24308 3.92558 4.8668 8.99912 5.88896 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 7.2443 6.66182 7.07985 4.8668 8.99912 11.201 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 9.70016 7.25771 5.46207 13.586 9.59585 13.6813 numMergedOcc 0
12 mol 113 unq 4 iso 0 dist 9.70016 7.25771 5.46207 5.90637 9.7073 10.5565 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 8.0889 5.61274 8.14689 6.42623 7.84207 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 8.0889 5.61274 5.74365 8.95899 8.56947 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 6.28961 7.07933 5.38859 12.9917 9.37946 6.96715 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 6.28961 7.07933 5.38859 12.2955 9.13646 11.3131 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 6.28961 7.07933 5.38859 11.6543 8.34216 12.6178 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.11505 4.72209 7.35363 13.9601 9.31158 16.1183 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 6.02527 9.59251 8.58535 11.6594 9.9868 11.5899 numMergedOcc 0
20 mol 231 unq 1 iso 0 dist 6.02527 9.59251 8.58535 7.54254 7.3268 15.2817 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.82778 9.0495 4.61469 10.7268 4.43499 6.09626 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.95233 7.96613 14.5358 4.5731 9.29666 7.80711 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 9.27716 7.8046 12.8596 7.60311 5.50053 7.90368 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 9.27716 7.8046 12.8596 11.1675 7.33334 9.46544 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 6.44657 5.93983 8.33646 11.6832 6.71946 14.4406 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 6.44657 5.93983 8.33646 6.73715 8.28061 12.042 numMergedOcc 0
27 mol 285 unq 2 iso 0 dist 6.44657 5.93983 8.33646 5.32175 5.03601 8.80238 numMergedOcc 0
