0 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 17.2602 12.2574 8.06929 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.90473 10.0227 8.6385 16.3415 12.8213 8.58514 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.87925 10.416 9.63263 9.90906 6.08005 8.41282 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 11.5334 7.1589 8.54678 12.1235 8.64047 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 8.01724 5.25393 8.16733 10.8946 4.28796 9.43351 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.34542 6.40295 7.71107 9.77669 4.41283 8.28541 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 7.75045 7.79531 8.38738 11.1489 7.75508 7.67051 numMergedOcc 0
7 mol 178 unq 0 iso 0 dist 8.04723 5.24118 4.92088 11.1418 4.51874 8.56251 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 9.52413 12.1191 9.83476 21.1624 18.5326 9.67802 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 9.52413 12.1191 9.83476 15.1174 7.37734 9.18314 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 14.2689 7.24106 9.96728 numMergedOcc 0
11 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 11.6868 7.24106 9.96728 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 6.25383 5.09263 7.84953 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 9.79816 8.17702 6.29511 6.25383 5.09263 4.57726 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 9.93754 9.46577 6.6561 13.0936 6.7444 7.10883 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 8.00095 8.07521 7.56091 6.73161 4.43593 8.10427 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 7.41211 5.37535 9.08573 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 6.94654 9.80929 7.61393 10.1003 4.14233 9.08573 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 8.89487 11.3332 7.61393 7.41211 4.14233 9.08573 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.2067 5.00301 7.99477 13.2964 12.4255 8.82933 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 11.3619 4.627 9.70241 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 9.581 4.627 9.70241 numMergedOcc 0
