0 mol 8 unq 0 iso 0 dist 5.89089 8.10061 6.56356 14.5586 10.9495 9.01112 10.4432 5.7531 8.83742 7.17012 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 5.89089 8.10061 6.56356 13.225 8.09332 7.62333 10.4432 5.7531 8.83742 6.31881 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.74289 5.37144 7.39665 13.3899 14.224 9.8703 10.8841 15.0902 8.05514 8.53692 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.48388 4.54306 7.78931 10.5303 14.591 9.64383 6.91361 14.5341 6.83746 8.76845 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.48388 4.54306 7.78931 10.5303 14.591 9.64383 12.1204 15.9953 9.14707 11.7715 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.48388 4.54306 7.78931 11.233 5.02887 7.54889 6.91361 14.5341 6.83746 13.9572 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 9.48388 4.54306 7.78931 11.233 5.02887 7.54889 12.1204 15.9953 9.14707 13.1975 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 9.48388 10.9661 8.7497 12.9741 10.2427 5.10496 14.8914 7.17433 8.75597 7.32662 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 9.48388 10.9661 8.7497 12.9741 10.2427 5.10496 12.1204 15.9953 9.18457 12.3881 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 9.48388 10.9661 8.7497 15.2644 13.9786 5.92242 14.8914 7.17433 8.75597 13.4985 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 9.48388 10.9661 8.7497 15.2644 13.9786 5.92242 12.1204 15.9953 9.18457 7.89505 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 9.48388 10.9661 8.7497 11.233 5.02887 5.2571 14.8914 7.17433 8.75597 6.934 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 9.48388 10.9661 8.7497 11.233 5.02887 5.2571 12.1204 15.9953 9.18457 13.1975 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 9.13413 11.7536 8.47988 11.6374 4.8896 9.02706 14.3723 8.56707 4.99604 10.1567 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.31419 6.4405 5.35237 12.4741 6.90348 7.99477 5.10248 6.02179 8.48313 10.9332 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.31419 3.64555 8.70621 9.92467 13.7309 6.42772 5.10248 6.02179 6.99345 11.7434 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 7.31419 3.64555 8.70621 9.11672 7.09823 9.1998 5.10248 6.02179 6.99345 5.12325 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 7.665 5.03025 9.08274 12.2299 8.56034 9.51256 5.42919 5.95519 5.13268 7.72147 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.30186 6.38826 8.1945 12.2976 13.3965 6.50998 9.34695 17.0241 9.57955 10.6484 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 9.30186 6.38826 8.1945 12.2976 13.3965 6.50998 15.6149 16.6392 9.87668 4.76151 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.17987 12.4759 7.81215 12.6184 10.2693 5.64285 14.06 11.113 9.08151 5.52595 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 6.66602 12.6107 9.58916 13.6132 8.96144 5.90924 12.6954 10.1591 7.14086 4.48907 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 6.66602 12.6107 9.58916 18.2663 14.3597 5.90058 12.6954 10.1591 7.14086 9.09085 numMergedOcc 0
23 mol 264 unq 2 iso 0 dist 8.43682 4.66338 9.19754 6.20796 4.92077 8.29262 8.43465 6.84156 6.02757 9.37297 numMergedOcc 0
24 mol 264 unq 3 iso 0 dist 6.20796 4.66338 8.29262 8.43682 4.92077 9.19754 8.43465 9.37297 6.02757 6.84156 numMergedOcc 0
25 mol 264 unq 4 iso 0 dist 7.73693 10.3972 8.29262 10.6405 4.92077 9.19754 13.1655 9.37297 6.02757 6.84156 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.29148 14.9639 9.9182 15.3813 10.3106 7.30758 22.9014 16.2289 9.84946 9.84292 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 7.29148 14.9639 9.9182 18.975 12.1693 9.10788 22.9014 16.2289 9.84946 8.96137 numMergedOcc 0
28 mol 292 unq 2 iso 0 dist 8.54692 9.47804 7.30758 15.4675 10.3106 9.9182 14.7741 9.84292 9.84946 16.2289 numMergedOcc 0
29 mol 292 unq 3 iso 0 dist 8.54692 9.47804 7.30758 18.1401 12.6861 9.10788 14.7741 9.84292 9.84946 8.96137 numMergedOcc 0
