0 mol 8 unq 0 iso 0 dist 9.11545 12.4359 9.00925 10.9865 8.68949 16.2669 12.1654 8.89145 5.7343 13.2274 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.11545 12.4359 9.00925 10.9865 8.68949 16.2669 13.8674 6.92865 11.3728 8.33226 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 7.99314 8.75001 10.2713 5.21676 7.78708 9.38012 5.18509 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.79758 12.9465 9.3147 7.99314 8.75001 10.2713 7.65931 7.84393 10.5285 12.48 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.79758 4.48525 9.79426 7.99314 8.75001 12.053 5.21676 7.78708 9.55318 5.18509 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 6.79758 4.48525 9.79426 7.99314 8.75001 12.053 7.65931 7.84393 9.84922 12.48 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 9.83301 8.6764 8.84148 5.6382 5.52834 5.21506 7.92237 8.52254 6.73507 4.38082 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 9.06379 8.09373 8.36667 4.6749 8.70964 11.5923 10.5217 8.24121 14.9981 6.57301 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 9.06379 8.09373 8.36667 4.6749 8.70964 11.5923 12.1462 8.52371 13.689 10.2661 numMergedOcc 0
9 mol 69 unq 2 iso 0 dist 9.06379 8.09373 8.36667 4.6749 8.70964 11.5923 5.76912 6.8198 5.23597 8.09841 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.6112 13.4643 6.68364 9.53483 6.87456 7.87375 8.99682 5.30872 5.4432 8.03483 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.99051 15.1546 9.94142 7.68008 8.46819 8.05438 5.59727 8.93307 11.5966 4.37376 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 17.9836 9.89039 9.09963 15.7646 8.9077 4.90657 13.6952 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.64006 16.6231 7.86207 4.47683 8.57174 14.3078 15.7646 8.9077 4.90657 13.8822 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.95601 5.01153 8.36396 4.47956 7.48693 5.52342 6.23286 8.0007 11.2438 8.75723 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 11.1044 4.71683 8.3795 5.81354 6.73134 6.0258 7.41812 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 5.44852 7.26758 10.9643 6.14115 6.40592 4.86437 7.3737 numMergedOcc 0
17 mol 281 unq 0 iso 0 dist 8.80931 5.59865 6.7897 3.90611 6.58925 4.37855 11.2855 9.48968 5.71767 9.49279 numMergedOcc 0
18 mol 281 unq 1 iso 0 dist 9.83857 5.58886 6.7897 5.78711 6.58925 4.37855 7.12638 9.48968 5.71767 9.49279 numMergedOcc 0
