0 mol 17 unq 0 iso 0 dist 6.89863 8.48453 11.074 7.02884 11.5928 4.03817 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.89863 8.80499 10.1562 7.02884 11.5928 5.12703 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.73484 6.44693 9.14809 9.63181 11.4812 7.77965 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 7.57797 8.28463 5.69211 6.75307 5.60515 6.65855 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.57797 8.28463 5.69211 7.24775 12.5987 14.3929 numMergedOcc 0
5 mol 27 unq 2 iso 0 dist 6.94532 8.28463 11.3937 6.75307 5.84177 6.65855 numMergedOcc 0
6 mol 27 unq 3 iso 0 dist 6.94532 8.28463 11.3937 7.24775 6.25033 14.3929 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.50287 7.51978 11.6633 5.0478 7.67964 4.29856 numMergedOcc 0
8 mol 66 unq 0 iso 0 dist 6.90306 8.04639 6.64193 5.75397 4.77174 5.99928 numMergedOcc 0
9 mol 66 unq 1 iso 0 dist 6.90306 8.04639 6.64193 9.11975 7.15484 4.38694 numMergedOcc 0
10 mol 66 unq 2 iso 0 dist 6.90306 7.69019 10.2966 5.75397 4.77174 5.61937 numMergedOcc 0
11 mol 66 unq 3 iso 0 dist 6.90306 7.69019 10.2966 9.11975 7.15484 7.22146 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.81202 5.09688 8.71142 8.22984 5.22561 9.75737 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.27056 9.91446 6.27843 6.6157 5.22561 7.16919 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.27056 9.26343 8.71142 6.6157 5.22561 9.75737 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 5.09936 5.94478 6.17691 9.61913 12.2478 9.91049 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 6.65267 8.38646 13.7859 8.6317 12.3669 9.20086 numMergedOcc 0
17 mol 125 unq 1 iso 0 dist 6.55342 8.38646 12.4582 8.6317 7.21828 9.20086 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.43061 4.93035 7.862 9.14007 12.0778 7.42649 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 8.43061 9.75558 5.64577 9.14007 12.0778 9.43674 numMergedOcc 0
20 mol 153 unq 0 iso 0 dist 6.81821 9.79001 5.55828 6.36853 7.49598 7.94182 numMergedOcc 0
21 mol 153 unq 1 iso 0 dist 6.81821 9.79001 5.55828 5.87327 7.74047 6.65991 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 7.18149 6.64506 4.21235 5.21339 9.26635 9.09988 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 8.17498 9.40939 12.2488 8.53661 6.76786 8.47474 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 8.17498 9.06306 17.0455 8.53661 6.76786 15.1193 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 5.32891 9.54236 12.7098 9.1926 10.6901 4.61517 numMergedOcc 0
26 mol 272 unq 1 iso 0 dist 5.32891 9.54236 12.7098 9.17894 14.3058 8.52496 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 8.02433 7.11272 13.0895 8.74282 10.0818 6.51623 numMergedOcc 0
28 mol 276 unq 1 iso 0 dist 8.02433 6.24808 5.95336 8.74282 10.0818 5.41235 numMergedOcc 0
