0 mol 17 unq 0 iso 0 dist 8.25257 8.37422 4.64234 13.2471 5.34782 7.324 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.25257 8.37422 4.64234 13.6692 6.74307 7.18716 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 4.45006 3.83191 6.13459 9.1993 8.74935 5.96189 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 9.14274 5.18887 6.01857 11.8417 4.01262 8.03867 numMergedOcc 0
4 mol 117 unq 1 iso 0 dist 9.14274 5.18887 6.01857 10.4066 8.64874 5.94465 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 9.71025 5.71332 8.26128 11.1592 4.05045 8.50487 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 9.08229 5.60897 6.10021 9.33818 5.37536 8.0697 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 8.85187 13.3934 9.09554 18.2919 12.2988 8.5107 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 8.85187 13.3934 9.09554 19.4233 15.7575 8.90797 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.22466 6.7472 4.37577 8.30192 3.8834 6.91764 numMergedOcc 0
10 mol 196 unq 0 iso 0 dist 6.28071 4.52109 8.3151 11.3034 12.0229 8.32524 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 6.32064 5.38864 8.49554 5.13145 3.95188 9.38235 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 5.29176 5.38864 8.29256 5.13145 4.92057 9.38235 numMergedOcc 0
13 mol 204 unq 2 iso 0 dist 5.29176 5.13255 7.8274 5.13145 4.92057 8.95509 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.27632 3.68745 8.53092 10.7307 9.19611 7.45508 numMergedOcc 0
15 mol 240 unq 0 iso 0 dist 5.76042 4.139 7.30262 5.05078 8.70328 7.8705 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.46 8.71923 7.88108 16.9139 12.3297 9.11501 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.38338 9.73619 7.84189 15.8089 10.3226 9.14217 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 6.38338 9.73619 7.84189 15.8089 10.3226 9.14217 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 6.38338 9.73619 7.84189 15.8089 10.3226 9.14217 numMergedOcc 0
