0 mol 20 unq 0 iso 0 dist 5.70448 4.49907 9.49938 3.14661 6.18007 6.04228 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.70448 5.36621 9.93706 3.14661 6.18007 4.492 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.52638 8.60999 6.03041 10.6622 5.11382 7.19357 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.52638 8.64598 7.47051 10.6622 5.11382 6.25444 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 7.15359 6.03332 8.03881 3.82054 8.67915 5.88923 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 6.15401 4.1115 5.46752 8.04184 7.31881 5.39141 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 7.19354 7.19801 5.62329 10.525 4.95504 7.01382 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 8.13994 6.96639 5.62329 4.40355 4.95504 7.01382 numMergedOcc 0
8 mol 81 unq 2 iso 0 dist 7.03253 9.80564 5.62329 8.676 4.95504 7.01382 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 4.33217 7.55605 9.67848 7.43256 5.81859 12.5868 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.98922 13.4951 9.67848 7.41929 5.81859 12.5868 numMergedOcc 0
11 mol 109 unq 2 iso 0 dist 7.50494 12.2478 9.67848 4.52914 5.81859 12.5868 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 7.78538 3.6258 9.42805 7.66715 7.65919 6.03116 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 7.78538 3.6258 9.42805 7.24165 8.55413 9.45081 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.05697 6.40577 6.49558 4.08778 8.09682 8.56894 numMergedOcc 0
15 mol 123 unq 1 iso 0 dist 9.05697 6.40577 6.49558 7.41602 8.35926 3.21474 numMergedOcc 0
16 mol 123 unq 2 iso 0 dist 9.05697 6.40577 6.49558 10.3587 7.41568 9.94939 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 9.67836 7.0794 8.95295 7.28478 4.67031 6.22252 numMergedOcc 0
18 mol 176 unq 1 iso 0 dist 9.67836 7.0794 8.95295 7.5034 6.20326 3.54036 numMergedOcc 0
19 mol 176 unq 2 iso 0 dist 9.67836 7.0794 8.95295 3.71651 8.98043 9.26997 numMergedOcc 0
20 mol 176 unq 3 iso 0 dist 9.67836 7.0794 8.95295 3.75871 6.8243 4.96592 numMergedOcc 0
21 mol 176 unq 4 iso 0 dist 9.67836 7.0794 8.95295 6.03305 8.90797 5.05388 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 6.0813 4.76465 6.4064 3.48538 7.42696 3.07409 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 6.0813 4.76465 6.4064 9.83309 5.86468 9.86813 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 6.0813 4.76465 6.4064 10.3543 8.73302 6.87402 numMergedOcc 0
25 mol 184 unq 3 iso 0 dist 6.0813 7.61189 7.17252 3.48538 7.42696 8.40636 numMergedOcc 0
26 mol 184 unq 4 iso 0 dist 6.0813 7.61189 7.17252 9.83309 5.86468 6.13585 numMergedOcc 0
27 mol 184 unq 5 iso 0 dist 6.0813 7.61189 7.17252 10.3543 8.73302 4.1284 numMergedOcc 0
28 mol 184 unq 6 iso 0 dist 8.25462 4.14904 6.4064 4.82518 7.42696 3.07409 numMergedOcc 0
29 mol 184 unq 7 iso 0 dist 8.25462 4.14904 6.4064 10.0034 5.86468 9.86813 numMergedOcc 0
30 mol 184 unq 8 iso 0 dist 8.25462 4.14904 6.4064 7.87645 8.73302 6.87402 numMergedOcc 0
31 mol 184 unq 9 iso 0 dist 8.25462 5.16587 7.17252 4.82518 7.42696 8.40636 numMergedOcc 0
32 mol 184 unq 10 iso 0 dist 8.25462 5.16587 7.17252 10.0034 5.86468 6.13585 numMergedOcc 0
33 mol 184 unq 11 iso 0 dist 8.25462 5.16587 7.17252 7.87645 8.73302 4.1284 numMergedOcc 0
