0 mol 34 unq 0 iso 0 dist 9.10681 6.50431 6.44329 8.3237 9.36493 4.62291 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.10681 6.50431 6.44329 11.3659 9.0665 5.28477 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.10681 6.50431 6.44329 15.0854 7.07773 10.6246 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 9.10681 12.2296 8.94846 8.3237 9.36493 12.295 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 9.10681 12.2296 8.94846 11.3659 9.0665 16.5713 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 9.10681 12.2296 8.94846 15.0854 7.07773 14.9436 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 7.47638 11.3645 7.80332 3.96491 8.5893 9.7828 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 7.47638 14.8983 8.02122 3.96491 8.5893 16.0005 numMergedOcc 0
8 mol 44 unq 0 iso 0 dist 6.9327 5.88248 8.99723 9.16104 9.80946 14.5467 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 6.1517 10.4981 8.85697 6.74214 7.55443 4.98191 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 6.1517 5.04589 7.78089 6.74214 7.55443 3.76045 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 4.22514 7.18196 4.54428 11.8083 9.63616 13.0814 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.0584 12.7037 7.80347 9.40876 5.24616 4.65764 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 6.05736 9.98955 9.29956 9.87425 6.82267 4.58282 numMergedOcc 0
14 mol 116 unq 1 iso 0 dist 8.34007 11.1593 9.29956 6.88393 6.82267 4.58282 numMergedOcc 0
15 mol 172 unq 0 iso 0 dist 9.40213 14.3434 8.4615 6.2666 7.3485 9.78083 numMergedOcc 0
16 mol 172 unq 1 iso 0 dist 8.75042 13.6715 8.4615 11.7152 7.3485 9.78083 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 8.31839 7.23384 9.61093 6.51877 8.38539 10.0281 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 4.66398 10.4659 9.86427 11.3639 9.87415 12.788 numMergedOcc 0
19 mol 241 unq 1 iso 0 dist 9.05448 10.6764 9.86427 6.51662 9.87415 12.788 numMergedOcc 0
