0 mol 10 unq 0 iso 0 dist 9.78153 6.05338 12.1866 8.16906 14.8787 4.27432 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 8.12105 6.80105 10.6215 9.62521 3.43881 9.72992 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.28158 7.33936 4.57338 8.70331 4.52962 4.84198 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.40644 9.38206 5.79865 7.99434 3.85292 8.2052 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.35252 9.38206 4.91651 7.99434 6.44604 8.2052 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 9.53081 8.80334 16.9756 5.43913 13.4515 5.67204 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 9.53081 8.80334 16.9756 8.26877 17.6258 4.28224 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 5.40826 8.57285 6.60792 5.33772 3.66518 4.19541 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 9.38856 8.37022 11.9024 9.27714 3.91702 11.6784 numMergedOcc 0
9 mol 165 unq 0 iso 0 dist 6.85551 8.4082 10.9999 9.98689 6.21834 13.398 numMergedOcc 0
10 mol 165 unq 1 iso 0 dist 6.85551 8.4082 10.9999 5.93144 11.5982 7.59874 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 7.20545 9.72291 10.4219 8.43955 6.87479 5.3461 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.2254 5.80433 11.9365 8.99777 14.1651 4.30589 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.2254 6.8285 13.7178 8.99777 14.1651 8.75635 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 9.90757 7.741 4.83686 9.26192 11.1365 12.4991 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.20044 9.01377 13.2711 8.77524 6.42785 14.6896 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 8.41232 9.01377 10.5475 8.77524 7.66776 14.6896 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 4.36421 6.96139 10.6276 9.53899 13.6384 4.00138 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 6.72203 10.7078 3.62742 numMergedOcc 0
19 mol 228 unq 1 iso 0 dist 9.9685 4.42593 7.98833 6.72203 10.7078 5.34726 numMergedOcc 0
20 mol 228 unq 2 iso 0 dist 9.9685 7.33564 5.16211 6.72203 10.7078 5.64202 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 7.24545 7.17772 9.32521 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 8.86185 4.57548 4.81796 7.24545 13.8399 9.32521 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.58092 6.73928 11.8838 5.94328 5.05766 6.93346 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 8.13393 8.94124 3.40141 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 5.78262 7.96519 13.2599 8.13393 8.94124 9.36978 numMergedOcc 0
26 mol 273 unq 2 iso 0 dist 7.6489 6.59786 9.47855 8.13393 7.92723 3.40141 numMergedOcc 0
27 mol 273 unq 3 iso 0 dist 7.6489 7.96519 10.9195 8.13393 7.92723 9.36978 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 7.872 7.61398 9.51445 7.08681 11.2722 13.7458 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 7.872 7.61398 9.51445 4.95596 9.22192 5.88535 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 7.872 7.61398 9.51445 6.3508 8.37376 10.021 numMergedOcc 0
31 mol 285 unq 3 iso 0 dist 7.872 7.61398 9.51445 8.3005 6.76283 3.73773 numMergedOcc 0
32 mol 285 unq 4 iso 0 dist 6.32984 7.61398 11.5961 7.08681 3.57803 13.7458 numMergedOcc 0
33 mol 285 unq 5 iso 0 dist 6.32984 7.61398 11.5961 4.95596 11.1099 5.88535 numMergedOcc 0
34 mol 285 unq 6 iso 0 dist 6.32984 7.61398 11.5961 6.3508 11.5761 10.021 numMergedOcc 0
35 mol 285 unq 7 iso 0 dist 6.32984 7.61398 11.5961 8.3005 11.5053 3.73773 numMergedOcc 0
36 mol 293 unq 0 iso 0 dist 6.52889 7.44889 6.42397 6.52792 4.57721 5.66577 numMergedOcc 0
