0 mol 20 unq 0 iso 0 dist 7.77627 6.29581 3.61632 14.4254 10.9002 9.07213 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.12382 5.21143 3.61632 13.6328 10.9002 9.07213 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.94809 6.27321 13.6446 3.62638 6.33905 7.98985 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 8.58689 5.20528 6.64001 4.78636 10.9955 5.05893 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 8.58689 5.20528 6.64001 7.24335 10.8022 5.71866 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 7.82214 5.20528 4.58085 4.78636 9.49897 5.05893 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 7.82214 5.20528 4.58085 7.24335 10.0375 5.71866 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.96357 9.63085 5.06665 13.1596 11.9866 7.75314 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.94623 6.08299 5.51309 11.6261 11.8636 9.0176 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 6.58855 8.59976 13.1373 6.43144 12.8336 6.0859 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 6.58855 8.59976 13.1373 6.37039 12.4735 6.05009 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 6.58855 9.71763 12.3204 6.43144 12.8336 9.15283 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.13982 6.19189 7.65999 12.9635 16.9226 9.99396 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 7.87925 8.41708 4.04186 6.50911 9.61582 9.45907 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.01226 8.15975 5.96553 11.888 13.9215 8.61946 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.0626 7.32216 4.09076 7.67194 9.1447 7.30592 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 6.0626 9.92206 6.69164 7.67194 9.1447 9.46687 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 6.0626 9.92206 6.69164 19.0926 15.3624 9.25617 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.70125 7.51337 7.66364 4.36059 9.16901 6.94762 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 7.70125 7.51337 7.66364 14.1026 17.0916 9.89167 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 7.70125 8.05594 3.7016 4.36059 9.16901 7.7086 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 8.20612 6.59092 9.23974 4.3735 5.3725 5.61969 numMergedOcc 0
