0 mol 7 unq 0 iso 0 dist 8.88982 14.0137 5.72491 14.92 8.72114 10.1959 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 13.0722 7.88043 8.401 5.99972 7.25346 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.8576 16.4052 8.80762 8.401 5.99972 10.0658 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 7.25179 13.647 9.78006 8.90391 9.62394 7.28672 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.72522 16.2983 9.78006 12.2488 9.62394 7.28672 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.80849 9.90348 6.72502 14.1707 8.60554 6.99746 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.80849 9.90348 6.72502 6.3045 8.44664 7.6844 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.80849 9.90348 6.72502 9.47767 9.44691 7.05541 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.00307 6.13982 6.90155 6.03478 6.16347 11.0508 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 6.00307 6.13982 6.90155 9.60684 7.92503 6.61233 numMergedOcc 0
10 mol 33 unq 0 iso 0 dist 9.8294 13.7035 8.00177 4.41482 8.83487 11.6774 numMergedOcc 0
11 mol 65 unq 0 iso 0 dist 9.75927 10.0795 9.14931 4.37601 6.72639 9.35965 numMergedOcc 0
12 mol 65 unq 1 iso 0 dist 9.75927 10.0795 9.14931 9.13935 9.34791 10.7772 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 4.31067 10.2492 7.26086 9.0917 6.65501 11.2092 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.47346 5.75556 8.03372 10.8332 9.36851 6.84211 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 6.47346 5.75556 8.03372 5.75407 4.97175 4.53459 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.39851 5.52677 9.91353 5.55502 6.6554 4.4079 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.15963 4.41466 6.51749 10.5886 8.90963 13.0913 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.98332 17.6122 8.10985 11.5325 6.34616 9.86517 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.20646 8.75405 6.85441 11.1093 9.68728 5.42649 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 6.73266 7.32929 6.85441 5.39256 9.68728 5.42649 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.04106 10.0849 5.60393 4.45301 5.44002 8.46033 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 7.51923 7.21122 8.70977 8.91883 7.75885 10.7023 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 8.13678 6.12126 6.29767 12.4498 9.74144 9.75095 numMergedOcc 0
24 mol 212 unq 1 iso 0 dist 8.13678 6.12126 6.29767 10.0809 8.69988 12.8059 numMergedOcc 0
25 mol 212 unq 2 iso 0 dist 8.13678 6.12126 6.29767 6.27773 8.55903 10.7914 numMergedOcc 0
26 mol 212 unq 3 iso 0 dist 8.13678 6.12126 6.29767 10.1594 7.15603 9.63281 numMergedOcc 0
27 mol 212 unq 4 iso 0 dist 8.13678 11.7712 8.74585 12.4498 9.74144 15.1535 numMergedOcc 0
28 mol 212 unq 5 iso 0 dist 8.13678 11.7712 8.74585 10.0809 8.69988 4.21442 numMergedOcc 0
29 mol 212 unq 6 iso 0 dist 8.13678 11.7712 8.74585 6.27773 8.55903 6.69225 numMergedOcc 0
30 mol 212 unq 7 iso 0 dist 8.13678 11.7712 8.74585 10.1594 7.15603 10.1399 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 6.15754 14.1265 8.24186 14.7836 9.81425 9.68666 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 6.6281 14.0259 8.24186 10.5885 9.81425 9.68666 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 7.0935 3.38705 9.47583 12.7219 6.68687 15.5587 numMergedOcc 0
