0 mol 41 unq 0 iso 0 dist 7.41523 9.13281 6.73801 13.4499 6.26099 9.18836 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.41523 11.098 6.42834 13.4499 6.26099 6.07294 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.31622 12.7532 9.32552 10.3662 5.68492 9.23947 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 6.27877 12.8729 9.18097 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.46478 4.32784 6.05495 10.5834 3.97167 8.83135 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 9.02541 11.296 9.10794 14.5719 6.13136 9.63728 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 13.0574 4.8628 4.86767 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 5.89919 6.06511 6.98158 11.6878 10.8984 7.61237 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 8.04178 7.34304 6.98158 8.20389 10.8984 7.61237 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.96294 4.46354 5.52683 5.68406 6.55605 8.46376 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.76389 6.74216 5.52683 9.46329 6.55605 8.46376 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 9.39237 4.43511 6.50043 11.4704 7.14836 8.68292 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.63085 6.99918 9.6096 9.94593 10.405 7.23059 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 8.79469 7.20832 7.47932 10.3967 6.26251 5.07761 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 4.54491 6.01155 6.44904 8.11014 8.2618 4.88303 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.80672 10.1877 7.10526 14.2234 5.64245 9.23676 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 8.08479 5.18289 6.77259 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 7.10608 6.58462 5.80452 15.1791 9.6632 9.38952 numMergedOcc 0
18 mol 280 unq 1 iso 0 dist 7.10608 6.58462 5.80452 7.61357 5.97333 7.42529 numMergedOcc 0
19 mol 280 unq 2 iso 0 dist 7.22993 6.58462 7.82157 7.61357 11.9982 7.42529 numMergedOcc 0
20 mol 280 unq 3 iso 0 dist 7.22993 6.58462 7.82157 15.1791 12.7222 9.38952 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 11.4853 9.01459 8.67838 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 8.60635 9.01459 8.67838 numMergedOcc 0
