0 mol 43 unq 0 iso 0 dist 8.90024 9.92963 18.4575 18.5048 9.74445 28.174 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 8.07389 6.09486 18.5048 9.74445 13.7462 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.92837 9.40686 3.85648 5.74577 9.57969 10.8749 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 5.63037 7.11305 4.52616 6.2653 7.8018 11.6403 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 8.85873 7.00136 4.30591 11.2532 6.36021 9.63477 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.96446 7.69672 12.6706 14.2688 7.86724 19.0737 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 11.5209 8.42147 7.22098 numMergedOcc 0
7 mol 142 unq 0 iso 0 dist 4.93681 7.97859 6.05056 5.20379 7.57458 6.00045 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 16.2482 8.64255 12.3487 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 10.3181 8.31638 8.48679 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 5.82039 9.1579 6.13816 8.09615 9.72979 7.44186 numMergedOcc 0
11 mol 206 unq 2 iso 0 dist 6.22964 9.1579 9.20417 5.85716 9.38127 9.86924 numMergedOcc 0
12 mol 206 unq 3 iso 0 dist 6.22964 9.1579 9.20417 8.09615 6.97859 7.44186 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 9.03917 7.79729 8.98913 10.7399 9.71281 16.0437 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.49412 6.53528 6.18809 11.7007 9.31246 14.3122 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 9.38793 7.89017 13.9139 12.7183 6.60309 19.0285 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 9.82717 6.02774 6.40962 14.401 8.71213 8.45077 numMergedOcc 0
