0 mol 20 unq 0 iso 0 dist 6.29581 8.39179 6.92904 14.4254 9.07213 15.0475 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.21143 5.75338 6.92904 13.6328 9.07213 15.0475 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.12513 8.03531 8.39068 12.0488 5.96231 14.1732 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 8.65004 9.86487 15.8574 10.5025 7.67238 17.7626 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 9.86487 8.65004 15.8574 4.9759 8.72725 10.1906 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 9.86487 8.65004 15.8574 6.59976 6.11407 10.1088 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.49444 5.55446 4.09459 9.55465 9.30645 10.6797 numMergedOcc 0
7 mol 146 unq 0 iso 0 dist 8.73563 7.92203 5.54669 11.9684 9.23136 14.0401 numMergedOcc 0
8 mol 146 unq 1 iso 0 dist 9.64915 6.75663 10.9376 9.15092 9.23136 12.9809 numMergedOcc 0
9 mol 146 unq 2 iso 0 dist 6.75663 9.64915 10.9376 4.84029 9.10637 13.7258 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 9.03552 5.77897 4.2485 12.1541 6.0859 9.15283 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 9.03552 5.77897 4.2485 14.0696 6.05009 9.68143 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 5.77897 9.03552 4.2485 12.1541 9.15283 6.0859 numMergedOcc 0
13 mol 169 unq 3 iso 0 dist 8.59976 9.71763 4.2485 6.43144 6.0859 9.15283 numMergedOcc 0
14 mol 169 unq 4 iso 0 dist 8.59976 9.71763 4.2485 6.37039 6.05009 9.68143 numMergedOcc 0
15 mol 169 unq 5 iso 0 dist 9.71763 8.59976 4.2485 6.43144 9.15283 6.0859 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.34668 8.76308 12.5306 4.68208 9.99396 13.0968 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 8.25221 9.36089 13.9837 4.85767 9.40971 14.0003 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 8.25221 6.64416 4.20321 4.85767 9.40971 9.8428 numMergedOcc 0
19 mol 192 unq 2 iso 0 dist 6.64416 9.36089 9.92978 4.85767 9.8428 14.0003 numMergedOcc 0
20 mol 192 unq 3 iso 0 dist 6.64416 8.25221 4.20321 4.85767 9.8428 9.40971 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 7.32216 9.92206 8.34332 7.67194 7.30592 9.46687 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.92206 7.32216 8.34332 7.67194 9.46687 7.30592 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 9.92206 7.32216 8.34332 19.0926 9.25617 16.7515 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 7.51337 8.05594 5.51027 4.36059 6.94762 7.7086 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 7.51337 8.05594 5.51027 14.1026 9.89167 14.1321 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 8.05594 7.51337 5.51027 4.36059 7.7086 6.94762 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 5.27184 7.98527 8.68123 4.51728 6.15635 12.1535 numMergedOcc 0
