0 mol 20 unq 0 iso 0 dist 9.88078 14.0926 7.68085 9.00405 8.65986 10.7036 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.88078 14.0926 7.68085 7.86889 9.39462 10.0419 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.53599 14.0926 8.45034 9.00405 9.74724 10.7036 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.53599 14.0926 8.45034 7.86889 9.13347 10.0419 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.82214 12.1057 9.27456 3.93024 9.43843 15.5854 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.82214 12.1057 9.27456 14.3352 7.67463 7.41484 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.06878 6.43546 4.83495 13.2915 5.16779 7.62353 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 5.52502 6.89612 4.78944 7.98584 9.60854 8.19217 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 5.7306 13.0181 9.19804 15.1721 9.82522 6.10428 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 5.7306 13.0181 9.19804 11.1637 8.50773 3.93314 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 9.94725 11.553 6.09357 5.56117 5.32542 6.11737 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.254 5.82036 9.67328 12.0078 9.66947 9.74857 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.254 5.82036 9.67328 3.30102 5.69652 5.83113 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.1579 8.60571 6.38964 12.4707 7.51798 10.3421 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 5.15737 5.76227 7.01175 12.6856 8.53393 12.5701 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 5.15737 5.76227 7.01175 12.0551 7.24165 12.5076 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 5.15737 5.29294 7.50074 12.6856 8.53393 15.7607 numMergedOcc 0
17 mol 266 unq 3 iso 0 dist 5.15737 5.29294 7.50074 12.0551 7.24165 14.5235 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.12198 11.144 8.25719 6.75244 9.66129 12.3674 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 5.61843 8.56129 8.25719 8.70062 9.66129 12.3674 numMergedOcc 0
