0 mol 17 unq 0 iso 0 dist 9.2031 13.0404 9.19031 9.73571 9.26171 4.36561 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.2031 13.0404 9.19031 6.6967 8.70761 7.46777 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.77627 3.78339 7.16149 16.0555 9.0017 15.8767 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 7.53599 11.4329 9.4228 9.00405 9.74724 16.7341 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.53599 11.4329 9.4228 7.86889 9.13347 14.3516 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 6.12382 6.18887 7.16149 12.1601 9.0017 15.8767 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.94809 5.53078 9.18809 10.2302 8.32093 10.9724 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.02428 13.4868 8.72013 4.9102 9.15754 12.3916 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.82214 9.53239 8.77199 3.93024 9.43843 13.3089 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.82214 9.53239 8.77199 14.3352 7.67463 10.3737 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 7.82214 13.0232 8.81824 3.93024 9.43843 16.2205 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 7.82214 13.0232 8.81824 14.3352 7.67463 8.37717 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 9.06878 6.31094 8.99376 13.2915 5.16779 13.2837 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 9.20807 6.88429 8.82395 6.19508 9.36638 11.8395 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 5.52502 4.99775 6.60331 7.98584 9.60854 7.15495 numMergedOcc 0
15 mol 110 unq 1 iso 0 dist 5.52502 9.98015 9.22311 7.98584 9.60854 14.6858 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 6.21509 5.61914 8.1671 8.14689 9.43682 3.824 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 6.21509 5.61914 8.1671 5.74365 8.0564 4.96885 numMergedOcc 0
18 mol 157 unq 0 iso 0 dist 9.94725 8.89036 7.52643 5.56117 5.32542 4.54378 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 8.71292 6.05321 6.64326 10.6578 9.56702 6.05019 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.1579 15.3449 9.62822 12.4707 7.51798 4.94346 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 9.1579 13.5094 7.03546 12.4707 7.51798 9.1131 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 6.38041 9.00146 7.48298 11.2711 9.84342 7.63636 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 6.38041 9.00146 7.48298 5.45887 8.63893 9.93981 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 9.00616 4.63237 9.00426 13.7748 7.8647 11.1348 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 6.02774 7.8112 7.97266 13.5711 7.8605 12.3871 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 6.02774 13.2558 8.89057 13.5711 7.8605 6.3912 numMergedOcc 0
