0 mol 119 unq 0 iso 0 dist 8.39253 7.91337 9.09785 6.40546 11.6714 8.61848 numMergedOcc 0
1 mol 119 unq 0 iso 1 dist 8.39253 6.40546 11.6714 7.91337 9.09785 8.61848 numMergedOcc 0
2 mol 119 unq 1 iso 0 dist 9.44788 8.82535 7.64443 6.18763 6.83988 4.72062 numMergedOcc 0
3 mol 119 unq 1 iso 1 dist 9.44788 6.18763 6.83988 8.82535 7.64443 4.72062 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 9.44788 8.82535 7.64443 8.44385 14.8957 10.0278 numMergedOcc 0
5 mol 119 unq 2 iso 1 dist 9.44788 8.44385 14.8957 8.82535 7.64443 10.0278 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 9.44788 8.82535 7.64443 5.63005 12.1168 9.93385 numMergedOcc 0
7 mol 119 unq 3 iso 1 dist 9.44788 5.63005 12.1168 8.82535 7.64443 9.93385 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 9.44788 6.18763 6.83988 8.44385 14.8957 10.9871 numMergedOcc 0
9 mol 119 unq 2 iso 1 dist 9.44788 8.44385 14.8957 6.18763 6.83988 10.9871 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 9.44788 6.18763 6.83988 5.63005 12.1168 9.93257 numMergedOcc 0
11 mol 119 unq 3 iso 1 dist 9.44788 5.63005 12.1168 6.18763 6.83988 9.93257 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.44788 8.44385 14.8957 5.63005 12.1168 4.85907 numMergedOcc 0
13 mol 119 unq 3 iso 1 dist 9.44788 5.63005 12.1168 8.44385 14.8957 4.85907 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 6.23615 9.50322 14.5344 5.82404 7.96098 8.18495 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 6.23615 5.82404 7.96098 9.50322 14.5344 8.18495 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 8.47576 8.3337 11.713 5.41292 5.2542 6.75702 numMergedOcc 0
17 mol 197 unq 0 iso 1 dist 8.47576 5.41292 5.2542 8.3337 11.713 6.75702 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 5.79753 8.3337 8.69245 5.41292 4.6678 6.75702 numMergedOcc 0
19 mol 197 unq 1 iso 1 dist 5.79753 5.41292 4.6678 8.3337 8.69245 6.75702 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 7.73315 12.0573 4.72474 numMergedOcc 0
21 mol 218 unq 0 iso 1 dist 6.2441 7.73315 12.0573 7.0843 9.92743 4.72474 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 6.2441 7.0843 9.92743 6.9398 8.31343 6.17651 numMergedOcc 0
23 mol 218 unq 1 iso 1 dist 6.2441 6.9398 8.31343 7.0843 9.92743 6.17651 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.2441 7.73315 12.0573 6.9398 8.31343 5.61978 numMergedOcc 0
25 mol 218 unq 1 iso 1 dist 6.2441 6.9398 8.31343 7.73315 12.0573 5.61978 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 7.49235 13.5876 6.74494 numMergedOcc 0
27 mol 219 unq 0 iso 1 dist 9.52151 7.49235 13.5876 4.87446 10.9246 6.74494 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 8.62654 4.87446 10.1098 7.49235 5.49378 6.74494 numMergedOcc 0
29 mol 219 unq 1 iso 1 dist 8.62654 7.49235 5.49378 4.87446 10.1098 6.74494 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 8.01164 9.89665 13.4013 9.05929 10.6351 14.7998 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 8.01164 9.05929 10.6351 9.89665 13.4013 14.7998 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 6.83408 5.11257 8.96144 numMergedOcc 0
33 mol 264 unq 0 iso 1 dist 9.8799 6.83408 5.11257 7.36905 13.9464 8.96144 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 9.52894 17.6855 6.828 numMergedOcc 0
35 mol 274 unq 0 iso 1 dist 8.26851 9.52894 17.6855 6.55855 13.002 6.828 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 8.14634 6.55855 10.2307 9.52894 16.0912 6.828 numMergedOcc 0
37 mol 274 unq 1 iso 1 dist 8.14634 9.52894 16.0912 6.55855 10.2307 6.828 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.00159 8.11838 5.17381 7.88897 5.89928 5.44531 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 8.00159 7.88897 5.89928 8.11838 5.17381 5.44531 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 8.92332 5.75596 13.9754 9.11438 10.1063 10.0122 numMergedOcc 0
41 mol 292 unq 0 iso 1 dist 8.92332 9.11438 10.1063 5.75596 13.9754 10.0122 numMergedOcc 0
42 mol 292 unq 1 iso 0 dist 8.92332 5.75596 13.9754 8.37867 5.4258 12.1693 numMergedOcc 0
43 mol 292 unq 1 iso 1 dist 8.92332 8.37867 5.4258 5.75596 13.9754 12.1693 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 8.92332 9.11438 10.1063 8.37867 5.4258 5.51626 numMergedOcc 0
45 mol 292 unq 1 iso 1 dist 8.92332 8.37867 5.4258 9.11438 10.1063 5.51626 numMergedOcc 0
