0 mol 20 unq 0 iso 0 dist 9.81561 9.00405 9.38691 9.88078 4.0782 8.65986 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.81561 9.00405 9.38691 7.53599 6.55479 9.74724 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.88078 9.00405 8.65986 9.81561 4.0782 9.38691 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.88078 9.00405 8.65986 7.53599 4.11329 9.74724 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 9.88078 7.86889 9.39462 7.53599 4.11329 9.13347 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 7.53599 9.00405 9.74724 9.81561 6.55479 9.38691 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 7.53599 9.00405 9.74724 9.88078 4.11329 8.65986 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 7.53599 7.86889 9.13347 9.88078 4.11329 9.39462 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.58689 3.93024 8.87977 7.82214 3.94863 9.43843 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.82214 3.93024 9.43843 8.58689 3.94863 8.87977 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.06878 13.2915 5.16779 10.0616 4.05115 6.69121 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.96357 7.75948 9.8911 11.4123 6.75352 7.02043 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 5.7306 15.1721 9.82522 10.1111 5.46363 9.69903 numMergedOcc 0
13 mol 157 unq 0 iso 0 dist 9.94725 5.56117 5.32542 12.3192 7.44268 9.27485 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.254 3.30102 5.69652 10.7382 5.97362 8.42716 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 6.38041 11.2711 9.84342 10.5425 4.31231 9.85159 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 8.10339 7.43463 6.56151 8.59635 7.60182 6.58752 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 8.81893 11.49 6.56151 10.2767 7.60182 6.58752 numMergedOcc 0
18 mol 254 unq 2 iso 0 dist 8.59635 7.43463 6.58752 8.10339 7.60182 6.56151 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.00616 13.7748 7.8647 15.1928 6.88668 9.39727 numMergedOcc 0
