0 mol 32 unq 0 iso 0 dist 7.41509 8.70934 7.64212 5.91961 10.0999 7.18766 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 5.47336 6.35945 6.44894 4.72799 4.31912 7.48825 numMergedOcc 0
2 mol 32 unq 2 iso 0 dist 5.47336 4.31912 4.72799 7.70136 11.1888 7.18766 numMergedOcc 0
3 mol 32 unq 3 iso 0 dist 5.47336 4.31912 4.72799 6.44894 6.35945 7.48825 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.61052 4.93077 9.82767 4.31342 10.2592 6.90952 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 8.26316 8.64403 7.69536 7.15319 11.4226 8.47626 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 8.60797 7.44647 8.9241 5.25762 12.4758 6.65776 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.26252 8.50625 4.95538 6.35116 8.97156 6.3244 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 9.26252 8.97156 6.35116 4.95538 8.50625 6.3244 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.86276 8.82363 13.3169 10.6383 18.0686 8.55681 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.86276 8.82363 13.3169 5.29975 11.1571 6.2135 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.75212 9.23448 5.93604 8.33942 5.76702 8.55681 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.75212 5.76702 8.33942 5.93604 9.23448 8.55681 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 6.75212 5.76702 8.33942 6.38237 11.7954 6.2135 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 8.52941 6.00248 5.83106 4.71837 10.464 7.01496 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 8.23566 6.29314 5.35358 5.65101 8.87419 6.41318 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.66541 7.29635 6.98496 12.5331 7.01671 8.75834 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 7.66541 7.29635 6.98496 8.6004 13.0751 7.51827 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 7.66541 7.01671 12.5331 6.98496 7.29635 8.75834 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 7.66541 7.01671 12.5331 13.7921 20.748 9.36396 numMergedOcc 0
20 mol 225 unq 4 iso 0 dist 8.66699 8.23463 9.20125 6.4725 12.8376 9.36396 numMergedOcc 0
21 mol 225 unq 5 iso 0 dist 6.75968 8.23463 14.4372 6.4725 12.1251 9.36396 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 7.18305 9.4555 8.02435 9.0548 12.3236 6.79822 numMergedOcc 0
23 mol 270 unq 1 iso 0 dist 7.18305 9.4555 8.02435 11.3548 13.9882 9.17227 numMergedOcc 0
