0 mol 0 unq 0 iso 0 dist 6.99269 9.36697 7.20999 5.5652 7.65806 5.56011 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.86009 4.02431 8.20058 14.9943 8.86116 16.6906 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.86009 4.02431 8.20058 13.1266 8.38394 14.9411 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.21974 11.5679 6.56728 4.98767 7.47541 11.609 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.21974 11.5679 6.56728 7.47375 7.66905 13.5384 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 9.21974 11.5679 6.56728 6.7801 5.73196 5.29763 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 6.26262 6.2293 8.96916 5.96628 6.45675 5.92158 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.1385 6.2293 5.70279 5.96628 7.47343 5.92158 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 5.1385 6.2293 5.70279 4.43203 6.65086 5.85449 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 5.1385 6.2293 5.70279 9.84997 6.56369 7.68675 numMergedOcc 0
10 mol 100 unq 4 iso 0 dist 5.1385 6.2293 5.70279 9.21424 9.30209 9.53223 numMergedOcc 0
11 mol 100 unq 5 iso 0 dist 4.86758 12.107 8.92577 9.60547 6.45675 6.89293 numMergedOcc 0
12 mol 100 unq 6 iso 0 dist 4.86758 12.107 8.92577 9.59578 7.47343 12.0555 numMergedOcc 0
13 mol 100 unq 7 iso 0 dist 4.86758 12.107 8.92577 5.92453 8.86688 12.7188 numMergedOcc 0
14 mol 100 unq 8 iso 0 dist 4.86758 8.6363 9.56324 9.60547 6.45675 15.1093 numMergedOcc 0
15 mol 100 unq 9 iso 0 dist 4.86758 8.6363 9.56324 9.59578 7.47343 16.8752 numMergedOcc 0
16 mol 100 unq 10 iso 0 dist 4.86758 8.6363 9.56324 5.92453 8.86688 13.0353 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 7.58993 10.4468 7.51061 9.89982 7.34473 5.29855 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.62424 13.8528 8.46684 11.3434 6.90986 5.14332 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 6.62424 13.8528 8.46684 9.09842 5.39945 5.28643 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 8.08241 11.1536 7.0318 8.25965 9.84395 8.12649 numMergedOcc 0
21 mol 117 unq 1 iso 0 dist 8.08241 11.1536 7.0318 13.9096 7.90328 5.21051 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.82508 14.6799 8.99949 7.3338 6.85062 11.3502 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 8.60866 7.34168 7.15087 10.051 9.2313 8.68855 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 8.60866 7.34168 7.15087 5.56494 5.31024 5.50176 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.77809 13.0441 7.26981 4.39307 7.32223 9.23512 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 8.77809 13.0441 7.26981 8.48607 8.31064 10.8952 numMergedOcc 0
27 mol 253 unq 2 iso 0 dist 8.77809 15.0186 9.02643 4.39307 7.32223 12.3948 numMergedOcc 0
28 mol 253 unq 3 iso 0 dist 8.77809 15.0186 9.02643 8.48607 8.31064 8.25257 numMergedOcc 0
