0 mol 8 unq 0 iso 0 dist 9.11545 10.9865 8.68949 12.1654 8.89145 13.2274 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.11545 10.9865 8.68949 13.8674 6.92865 8.33226 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.79758 7.99314 8.75001 5.21676 7.78708 5.18509 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.79758 7.99314 8.75001 7.65931 7.84393 12.48 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 6.97295 4.81505 8.07914 9.14995 8.85347 4.964 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.83301 5.6382 5.52834 7.92237 8.52254 4.38082 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.49678 5.37112 5.06188 5.50758 8.89758 4.6365 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 7.96214 13.6612 9.06142 11.6666 8.125 5.73783 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 7.96214 11.9413 8.41264 11.6666 8.125 10.7002 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 9.67476 12.9986 8.27009 13.4853 8.64208 13.0612 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 9.67476 12.9986 8.27009 6.50049 7.9572 10.6864 numMergedOcc 0
11 mol 67 unq 2 iso 0 dist 9.67476 4.85065 5.80736 13.4853 8.64208 11.8891 numMergedOcc 0
12 mol 67 unq 3 iso 0 dist 9.67476 4.85065 5.80736 6.50049 7.9572 6.3173 numMergedOcc 0
13 mol 69 unq 0 iso 0 dist 9.06379 4.6749 8.70964 10.5217 8.24121 6.57301 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 9.06379 4.6749 8.70964 12.1462 8.52371 10.2661 numMergedOcc 0
15 mol 69 unq 2 iso 0 dist 9.06379 4.6749 8.70964 5.76912 6.8198 8.09841 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 8.08674 4.77004 7.48127 9.08836 4.83274 10.6009 numMergedOcc 0
17 mol 83 unq 0 iso 0 dist 5.41154 4.26822 7.72515 6.61257 7.77558 4.94406 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 6.17589 8.7758 9.41083 6.06993 6.20658 4.45342 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 6.17589 8.7758 9.41083 5.29965 7.83568 11.8582 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 8.50192 4.89754 8.9864 5.29937 9.69673 9.33442 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 8.97036 12.389 6.94745 13.8837 6.495 5.28089 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 8.97036 12.389 6.94745 14.8844 9.43748 4.50065 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 9.6112 9.53483 6.87456 8.99682 5.30872 8.03483 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 7.88346 5.57673 5.40826 12.628 7.5984 9.02772 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.99051 7.68008 8.46819 5.59727 8.93307 4.37376 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 8.35833 11.9993 9.87574 5.85344 7.24395 10.0277 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.73513 7.90201 4.81837 10.4602 6.57849 5.47046 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.73513 11.9426 6.43519 10.4602 6.57849 7.78052 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 7.7874 5.43552 4.36421 4.71355 7.77535 7.98893 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 9.64006 17.9836 9.89039 15.7646 8.9077 13.6952 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 9.64006 4.47683 8.57174 15.7646 8.9077 13.8822 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 5.95601 4.47956 7.48693 6.23286 8.0007 8.75723 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 7.73969 11.1044 4.71683 5.81354 6.73134 7.41812 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 9.82576 5.44852 7.26758 6.14115 6.40592 7.3737 numMergedOcc 0
35 mol 256 unq 0 iso 0 dist 9.34785 6.09764 6.45473 5.59478 7.54586 4.99605 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 5.50553 11.0096 9.8165 7.08073 7.46199 6.98979 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.92271 4.00063 8.15119 6.29035 9.84188 10.2486 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 6.92271 4.00063 8.15119 4.83355 8.35794 7.94155 numMergedOcc 0
39 mol 277 unq 2 iso 0 dist 8.62666 9.31316 8.15119 15.7541 9.84188 10.2486 numMergedOcc 0
40 mol 277 unq 3 iso 0 dist 8.62666 9.31316 8.15119 11.2857 8.35794 7.94155 numMergedOcc 0
41 mol 281 unq 0 iso 0 dist 5.53313 4.48742 7.65321 9.02336 9.65665 6.20237 numMergedOcc 0
42 mol 281 unq 1 iso 0 dist 8.80931 3.90611 6.58925 11.2855 9.48968 9.49279 numMergedOcc 0
43 mol 281 unq 2 iso 0 dist 9.83857 5.78711 6.58925 7.12638 9.48968 9.49279 numMergedOcc 0
