0 mol 28 unq 0 iso 0 dist 5.32719 7.26052 7.28416 6.77926 8.75468 4.55829 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.32719 7.26052 7.28416 3.85555 7.62989 5.13816 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.32719 7.26052 7.28416 7.50035 5.70238 7.07342 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.03702 7.36654 7.28416 9.63176 8.75468 4.55829 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.03702 7.36654 7.28416 5.94896 7.62989 5.13816 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 7.03702 7.36654 7.28416 3.92369 5.70238 7.07342 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.39494 5.4527 8.03303 3.95066 8.59337 6.28792 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.39494 5.4527 8.03303 6.09246 7.66942 4.4893 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 4.21164 5.72961 5.76272 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.27584 9.9705 7.1589 4.21164 5.72961 8.18948 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 4.51052 7.87729 10.3949 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.16531 14.5206 9.81831 11.064 6.46217 8.13232 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.16531 10.2104 9.12858 11.064 6.46217 9.79899 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 8.16531 12.7325 9.4523 11.064 6.46217 13.6379 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 8.98593 10.145 9.81831 4.45993 6.46217 8.13232 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 8.98593 13.574 9.12858 4.45993 6.46217 9.79899 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 8.98593 16.236 9.4523 4.45993 6.46217 13.6379 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.71813 9.09837 8.67766 4.37072 9.67274 10.8085 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 8.71813 10.9676 8.0831 4.37072 9.67274 10.1337 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.3516 10.5062 8.35555 9.89404 9.48674 9.75376 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 6.64084 9.91097 7.88319 12.7673 8.06621 6.60451 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 8.6792 6.22059 6.20182 7.05221 9.56342 4.51281 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 3.92978 7.6741 13.8965 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 9.66132 5.35732 8.77887 4.57656 9.12454 8.36988 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.39908 5.5366 6.258 5.28021 6.08596 4.04122 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.14238 7.39708 6.258 3.87593 6.08596 4.04122 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 5.6524 5.92474 7.63018 7.85817 8.83523 11.6379 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 5.8679 7.34507 8.86175 10.7878 6.62738 9.9009 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 5.8679 7.34507 8.86175 9.19561 7.13254 11.0018 numMergedOcc 0
29 mol 218 unq 2 iso 0 dist 5.8679 4.79566 6.29511 10.7878 6.62738 10.3884 numMergedOcc 0
30 mol 218 unq 3 iso 0 dist 5.8679 4.79566 6.29511 9.19561 7.13254 11.2389 numMergedOcc 0
31 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 3.86973 6.31092 10.043 numMergedOcc 0
32 mol 230 unq 1 iso 0 dist 9.88392 9.33469 6.41286 13.6216 6.31092 10.043 numMergedOcc 0
