0 mol 21 unq 0 iso 0 dist 5.27589 11.3343 9.19322 4.2995 7.30688 14.7812 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 5.27589 11.3343 9.19322 5.73645 6.70786 6.37687 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 5.27589 11.3343 9.19322 5.29979 8.16395 9.29021 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.65799 9.37629 7.35217 13.2892 9.56474 4.92632 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.35786 5.60117 7.09464 11.3309 9.76849 5.7326 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 8.35786 5.60117 7.09464 8.233 9.18365 3.64194 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 7.94925 13.7855 8.20389 9.02609 5.23695 10.6485 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.47105 7.5579 8.72732 6.43647 5.9959 5.25744 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 6.6011 7.95149 8.43359 8.2928 5.08603 9.58574 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 6.6011 7.95149 8.43359 4.85767 9.30889 5.53973 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 8.3941 4.84434 8.5734 11.5968 7.75518 10.1093 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.58174 5.27148 7.30459 5.10199 5.81438 3.93117 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 6.58174 7.02985 8.73423 5.10199 5.81438 11.1412 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.24175 5.476 7.74406 10.996 8.44407 7.96442 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 7.24175 5.476 7.74406 5.055 6.0155 3.87538 numMergedOcc 0
15 mol 214 unq 2 iso 0 dist 7.24175 5.476 7.74406 10.6488 8.89981 11.5715 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 8.88435 12.0158 7.50015 4.68897 9.52528 12.6654 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 8.88435 8.81317 8.33933 4.68897 9.52528 8.93714 numMergedOcc 0
18 mol 252 unq 2 iso 0 dist 8.88435 4.22732 5.95029 4.68897 9.52528 3.9962 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.76337 10.9008 8.2681 5.31043 8.59229 10.3367 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 7.76337 10.9008 8.2681 7.85081 7.33165 5.12941 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 7.76337 10.9008 8.2681 4.41719 9.66967 9.06733 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.72433 9.83164 7.07099 5.78744 8.95841 13.8362 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.73559 4.79692 6.91689 8.29235 6.78424 6.5727 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 9.73559 4.79692 6.91689 11.5319 7.32002 9.68077 numMergedOcc 0
