0 mol 24 unq 0 iso 0 dist 9.33902 6.80849 4.42703 14.0145 12.0325 9.90845 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.76314 6.13476 9.65953 12.423 14.9382 6.59893 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 5.76314 6.13476 9.65953 9.45804 10.3665 5.59773 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 7.91009 8.07716 4.35132 9.01453 10.42 9.35818 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 4.39121 5.78829 4.35132 6.45693 10.42 9.35818 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.96904 5.76199 4.12027 4.32102 10.446 8.54906 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 5.8711 5.45787 4.56297 6.97518 5.38329 7.29462 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 5.8711 5.45787 4.56297 4.62224 7.62421 5.4057 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.32154 8.93253 5.21847 9.6516 9.75478 7.21229 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 9.32154 8.1306 4.60073 9.6516 9.75478 5.25492 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.68841 7.42431 4.41283 6.48732 5.05141 8.42147 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.61273 9.96969 4.79958 4.23705 10.3018 8.91606 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.27008 9.05674 4.90674 5.48547 9.71281 8.84018 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.27008 6.53153 4.82833 6.6767 11.2703 9.48243 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 7.55683 7.14849 4.51874 7.17894 9.32502 8.0974 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 9.67795 7.23126 12.8012 13.7733 16.908 6.76923 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.39627 8.39522 15.529 11.1968 12.6649 9.75174 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 9.39009 6.70123 5.07427 6.00086 12.136 9.98528 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 9.5174 7.63115 4.51764 7.675 12.4363 8.13489 numMergedOcc 0
