0 mol 41 unq 0 iso 0 dist 7.41523 9.13281 6.73801 13.4499 6.26099 9.18836 14.6977 9.75702 15.3135 8.45859 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 7.41523 11.098 6.42834 13.4499 6.26099 6.07294 14.6977 9.75702 6.00929 8.45859 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.46478 4.32784 6.05495 6.27877 12.8729 9.18097 3.81285 5.61151 5.22259 7.51319 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 7.46478 4.32784 6.05495 6.27877 12.8729 9.18097 6.17121 6.54289 7.66499 8.49887 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 7.46478 4.32784 6.05495 10.5834 3.97167 8.83135 3.81285 5.61151 5.22259 9.43839 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.29144 10.9396 6.51395 13.0574 4.8628 4.86767 13.7262 9.97296 3.67473 7.4113 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.96294 4.46354 5.52683 5.68406 6.55605 8.46376 6.8842 6.40751 3.84623 9.57243 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.96294 4.46354 5.52683 5.68406 6.55605 8.46376 6.46148 11.6867 10.3222 8.12558 numMergedOcc 0
8 mol 141 unq 2 iso 0 dist 9.76389 6.74216 5.52683 9.46329 6.55605 8.46376 5.05002 6.40751 3.84623 9.57243 numMergedOcc 0
9 mol 141 unq 3 iso 0 dist 9.76389 6.74216 5.52683 9.46329 6.55605 8.46376 12.4824 11.6867 10.3222 8.12558 numMergedOcc 0
10 mol 174 unq 0 iso 0 dist 8.79469 7.20832 7.47932 10.3967 6.26251 5.07761 14.7439 14.49 8.95182 8.46317 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 4.54491 6.01155 6.44904 8.11014 8.2618 4.88303 8.24104 11.9767 8.00739 8.5544 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.80672 10.1877 7.10526 14.2234 5.64245 9.23676 6.82158 4.51124 3.85186 8.77524 numMergedOcc 0
13 mol 266 unq 0 iso 0 dist 9.28273 6.33919 9.71152 8.08479 5.18289 6.77259 9.42852 11.9661 4.60397 7.36137 numMergedOcc 0
14 mol 266 unq 1 iso 0 dist 9.28273 6.33919 9.71152 8.08479 5.18289 6.77259 9.63536 9.73748 5.26919 4.95415 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.10608 6.58462 5.80452 15.1791 9.6632 9.38952 15.1285 12.0314 8.71368 7.00616 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.22993 6.58462 7.82157 15.1791 12.7222 9.38952 15.1285 15.3701 8.71368 7.00616 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 8.66938 7.79184 5.7131 11.4853 9.01459 8.67838 4.94483 3.93401 4.30125 9.29687 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 9.97399 6.25614 5.7131 8.60635 9.01459 8.67838 6.85091 3.93401 4.30125 9.29687 numMergedOcc 0
