0 mol 0 unq 0 iso 0 dist 6.3267 8.31596 8.8123 6.0597 8.34244 13.1109 7.48645 4.04089 12.5081 6.64713 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.2199 6.9513 6.27573 6.0397 9.57198 12.164 9.82483 6.81435 12.6271 8.076 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.2199 6.9513 6.27573 6.0397 9.57198 12.164 9.22214 13.6861 15.9136 6.32226 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 7.2199 9.16116 11.1737 6.0397 9.57198 14.1469 9.82483 6.81435 17.0455 8.076 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 7.2199 9.16116 11.1737 6.0397 9.57198 14.1469 9.22214 13.6861 18.1598 6.32226 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 7.2199 8.47109 10.9842 6.0397 9.57198 10.1029 9.82483 6.81435 10.0146 8.076 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 7.2199 8.47109 10.9842 6.0397 9.57198 10.1029 9.22214 13.6861 7.77807 6.32226 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 8.13782 8.59109 14.5783 13.1805 9.62637 18.7224 10.537 7.91752 12.474 9.32898 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.96494 6.50297 6.44201 13.4366 9.11258 12.7653 14.6093 9.17656 10.8775 6.62229 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.86739 8.39249 7.68699 6.76585 8.809 5.79343 8.11094 7.70536 4.69847 9.17466 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 9.86739 8.93623 11.9022 6.76585 8.809 13.2529 8.11094 7.70536 5.83121 9.17466 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 9.86739 9.49413 12.0339 9.47219 9.83981 6.51395 8.06525 8.36453 6.18257 9.35942 numMergedOcc 0
12 mol 114 unq 3 iso 0 dist 9.86739 9.49413 12.0339 9.47219 9.83981 6.51395 15.0678 17.1979 10.4498 7.42482 numMergedOcc 0
13 mol 114 unq 4 iso 0 dist 9.49413 9.86739 12.0339 9.47219 6.51395 9.83981 8.06525 6.18257 8.36453 9.35942 numMergedOcc 0
14 mol 114 unq 5 iso 0 dist 9.49413 9.86739 12.0339 9.47219 6.51395 9.83981 15.0678 10.4498 17.1979 7.42482 numMergedOcc 0
15 mol 114 unq 6 iso 0 dist 8.39249 9.86739 7.68699 6.76585 5.79343 8.809 8.11094 4.69847 7.70536 9.17466 numMergedOcc 0
16 mol 114 unq 7 iso 0 dist 8.39249 8.93623 10.0883 6.76585 5.79343 13.2529 8.11094 4.69847 5.83121 9.17466 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.2135 8.55681 10.8776 8.7258 5.26989 14.6318 12.4542 8.00633 18.8182 6.94988 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.51827 8.75834 14.0478 6.16433 7.73748 13.124 5.13453 7.13893 7.15437 8.20162 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 5.32183 9.6101 9.35875 6.56416 7.22019 9.28101 9.06084 5.3976 9.66782 6.00582 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 9.1101 8.93338 8.07376 4.78857 7.12785 6.66959 6.01071 8.16841 6.03041 7.44706 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.93338 9.1101 8.07376 4.78857 6.66959 7.12785 6.01071 6.03041 8.16841 7.44706 numMergedOcc 0
22 mol 250 unq 0 iso 0 dist 5.94383 7.88284 6.59053 5.66455 6.28538 10.8727 10.7645 7.62569 13.3093 5.93798 numMergedOcc 0
23 mol 250 unq 1 iso 0 dist 8.16469 9.88279 6.59053 4.45194 6.28538 10.8727 9.03319 7.62569 13.3093 5.93798 numMergedOcc 0
