0 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 12.664 9.83618 20.2082 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.9795 5.20528 9.29301 5.84688 9.47876 10.0297 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.49531 8.4204 6.71199 6.33328 8.67367 12.0792 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 6.43255 9.88541 9.29894 9.77909 5.87358 14.9452 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 8.84656 7.85849 5.29786 13.386 5.42582 8.73604 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 4.9155 7.85849 5.71679 13.386 8.6355 8.73604 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 9.42271 6.08299 5.71679 11.8215 8.6355 8.73604 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 7.70631 9.3055 7.16732 14.5382 8.99696 12.0896 numMergedOcc 0
8 mol 197 unq 1 iso 0 dist 7.70631 9.3055 7.16732 12.215 7.85058 13.8231 numMergedOcc 0
9 mol 197 unq 2 iso 0 dist 7.70631 9.3055 7.16732 16.4731 9.96638 16.1365 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 5.92907 9.17634 10.6456 10.2593 7.95911 15.999 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.66521 9.45021 9.98177 5.52296 5.86443 10.7799 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 9.66521 9.45021 9.98177 6.32385 7.22914 12.0619 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 6.56775 5.98104 7.77516 4.25998 5.65339 6.54825 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 6.45574 4.46919 7.60081 5.61388 8.21247 7.95766 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 8.49415 7.87337 13.6299 9.3596 6.34034 13.9273 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 7.23956 6.71956 7.70529 12.9898 9.41725 14.3284 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 9.91518 6.9592 14.3412 7.70648 6.35287 12.2665 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 6.83147 6.53769 10.6664 8.84794 8.41504 13.8882 numMergedOcc 0
19 mol 284 unq 1 iso 0 dist 7.43241 6.53769 4.50325 4.89439 4.86729 6.61376 numMergedOcc 0
