0 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 7.00079 14.7405 5.76024 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.41745 7.4036 10.9547 6.50215 13.8238 7.92714 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 9.41745 7.4036 10.9547 12.5814 18.7088 8.47217 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 8.48453 7.02884 4.03817 12.9838 9.78331 7.92012 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 8.80499 7.02884 5.12703 12.9838 12.567 7.92012 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 12.3478 15.8536 7.35861 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 13.7277 15.8536 7.35861 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 8.08257 11.9684 6.56527 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 9.5746 9.6782 7.48846 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 8.61163 5.80996 5.10859 4.42214 12.3693 8.81982 numMergedOcc 0
10 mol 53 unq 1 iso 0 dist 8.61163 5.80996 5.10859 6.58374 13.6368 8.94227 numMergedOcc 0
11 mol 53 unq 2 iso 0 dist 7.80805 5.66861 5.10859 6.80569 12.3693 8.81982 numMergedOcc 0
12 mol 53 unq 3 iso 0 dist 7.80805 5.66861 5.10859 8.93925 13.6368 8.94227 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 6.85941 10.4031 9.17082 numMergedOcc 0
14 mol 65 unq 0 iso 0 dist 9.9997 9.68286 5.51708 8.24043 6.72639 5.94206 numMergedOcc 0
15 mol 65 unq 1 iso 0 dist 9.38611 8.58416 6.47381 4.91428 6.76508 5.94206 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 7.47827 7.74952 4.57085 3.98211 9.30539 8.66165 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 12.4858 9.28592 7.80873 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 12.4858 10.7886 7.80873 numMergedOcc 0
19 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 6.24872 7.73435 6.11502 numMergedOcc 0
20 mol 125 unq 1 iso 0 dist 8.38646 8.6317 9.20086 10.4668 9.3778 6.33431 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 4.75774 5.9176 7.22883 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 4.75774 11.602 7.22883 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 13.0844 17.9671 8.26288 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 9.05666 7.27051 12.717 5.76622 8.77999 6.60053 numMergedOcc 0
25 mol 192 unq 2 iso 0 dist 9.05666 7.35424 14.8459 5.76622 8.77999 9.36796 numMergedOcc 0
26 mol 196 unq 0 iso 0 dist 6.64506 5.21339 9.09988 10.6902 16.6667 9.62455 numMergedOcc 0
27 mol 196 unq 1 iso 0 dist 6.60651 6.67699 8.50224 10.9094 13.9175 7.21349 numMergedOcc 0
28 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 12.9088 15.9848 9.70149 numMergedOcc 0
