0 mol 10 unq 0 iso 0 dist 6.88548 6.44598 7.82037 7.45552 5.06897 4.17235 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.8533 7.62792 8.06929 7.54726 6.73259 4.20567 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.8533 7.62792 8.06929 15.6533 8.60352 12.729 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.8533 15.6943 8.58514 7.54726 6.73259 9.87081 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.8533 15.6943 8.58514 15.6533 8.60352 7.59337 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 6.87744 14.3581 8.06929 12.5131 6.73259 4.20567 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 6.87744 14.3581 8.06929 7.40006 8.60352 12.729 numMergedOcc 0
7 mol 26 unq 6 iso 0 dist 6.87744 9.3052 8.58514 12.5131 6.73259 9.87081 numMergedOcc 0
8 mol 26 unq 7 iso 0 dist 6.87744 9.3052 8.58514 7.40006 8.60352 7.59337 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.39026 5.07153 6.20301 7.17914 7.49224 4.91384 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.90574 10.1386 5.61533 4.51896 9.82548 13.8529 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.51585 10.5541 8.26098 8.14582 9.07172 9.29912 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.74174 6.76594 9.07256 9.10578 9.3832 5.72937 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 8.74174 6.76594 9.07256 9.44058 6.0247 10.1929 numMergedOcc 0
14 mol 163 unq 2 iso 0 dist 8.74174 6.76594 9.07256 5.51241 6.40873 6.65976 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 7.87322 6.83761 5.77288 9.91529 5.36078 3.95563 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 7.87322 10.2792 8.44376 9.91529 5.36078 8.4136 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 9.44744 12.3487 7.82138 7.47327 5.22349 5.51625 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 7.53074 4.85466 5.46263 6.49238 7.10354 4.35391 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 7.53074 5.45852 9.27455 6.49238 7.10354 10.411 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 9.71561 4.46069 5.46263 6.34699 7.10354 4.35391 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 9.71561 8.05755 9.27455 6.34699 7.10354 10.411 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.78275 10.0259 4.37724 14.2497 9.2542 5.42154 numMergedOcc 0
