0 mol 18 unq 0 iso 0 dist 7.63261 8.17979 10.1522 5.03451 10.7484 4.96019 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.67055 9.48375 13.3383 8.16102 10.3125 16.7495 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.67055 6.85127 9.25156 8.16102 10.3125 12.314 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 8.67055 8.58169 10.2835 8.16102 10.3125 6.16154 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 6.25236 9.48375 12.6088 8.16102 6.2181 16.7495 numMergedOcc 0
5 mol 27 unq 4 iso 0 dist 6.25236 6.85127 7.63122 8.16102 6.2181 12.314 numMergedOcc 0
6 mol 27 unq 5 iso 0 dist 6.25236 8.58169 5.48316 8.16102 6.2181 6.16154 numMergedOcc 0
7 mol 37 unq 0 iso 0 dist 8.99589 8.40835 7.05769 9.7385 10.8321 12.0019 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 8.67331 4.70371 6.64709 8.77395 3.56868 8.20593 numMergedOcc 0
9 mol 55 unq 1 iso 0 dist 8.67331 4.70371 6.64709 6.91288 3.53986 6.20434 numMergedOcc 0
10 mol 55 unq 2 iso 0 dist 8.67331 4.70371 6.64709 8.60087 7.94035 9.61184 numMergedOcc 0
11 mol 55 unq 3 iso 0 dist 8.67331 8.74565 15.0431 8.77395 3.56868 13.1058 numMergedOcc 0
12 mol 55 unq 4 iso 0 dist 8.67331 8.74565 15.0431 6.91288 3.53986 14.3366 numMergedOcc 0
13 mol 55 unq 5 iso 0 dist 8.67331 8.74565 15.0431 8.60087 7.94035 9.31655 numMergedOcc 0
14 mol 55 unq 6 iso 0 dist 8.50163 4.70371 8.03646 8.77395 10.8666 8.20593 numMergedOcc 0
15 mol 55 unq 7 iso 0 dist 8.50163 4.70371 8.03646 6.91288 5.44338 6.20434 numMergedOcc 0
16 mol 55 unq 8 iso 0 dist 8.50163 4.70371 8.03646 8.60087 13.8903 9.61184 numMergedOcc 0
17 mol 55 unq 9 iso 0 dist 8.50163 8.74565 16.9928 8.77395 10.8666 13.1058 numMergedOcc 0
18 mol 55 unq 10 iso 0 dist 8.50163 8.74565 16.9928 6.91288 5.44338 14.3366 numMergedOcc 0
19 mol 55 unq 11 iso 0 dist 8.50163 8.74565 16.9928 8.60087 13.8903 9.31655 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 8.60361 5.72494 11.1242 7.85115 8.11883 11.4876 numMergedOcc 0
21 mol 103 unq 1 iso 0 dist 8.60361 8.70106 15.0192 7.85115 8.11883 11.2795 numMergedOcc 0
22 mol 136 unq 0 iso 0 dist 6.27434 9.67457 4.65485 7.75661 3.84229 6.80938 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 7.6395 8.80448 4.35933 8.99827 9.13918 9.26939 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 8.6499 8.60157 14.6035 7.91749 15.1552 3.54257 numMergedOcc 0
25 mol 148 unq 2 iso 0 dist 8.6499 6.72591 14.778 7.91749 15.1552 8.03052 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 7.67343 8.78855 4.40683 8.97634 9.12533 9.29256 numMergedOcc 0
27 mol 150 unq 1 iso 0 dist 8.75339 8.59359 14.6751 7.96309 15.2935 3.59609 numMergedOcc 0
28 mol 150 unq 2 iso 0 dist 8.75339 6.80192 14.922 7.96309 15.2935 8.06512 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 9.8024 6.6514 11.1988 8.87575 3.86842 11.6251 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 8.01303 6.5782 5.30254 9.5648 5.09728 8.2701 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 8.83021 8.98221 14.9776 7.93815 5.18174 12.6927 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.66909 5.99974 12.7382 7.20524 9.94695 5.27339 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 8.82838 4.90334 5.55359 9.06088 10.7261 6.08881 numMergedOcc 0
34 mol 204 unq 1 iso 0 dist 8.17025 4.90334 4.72843 9.06088 9.28209 6.08881 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 6.22499 9.66533 9.18058 7.81831 7.89413 6.49466 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 8.69185 7.5099 8.42399 9.63067 4.45501 9.59315 numMergedOcc 0
37 mol 250 unq 0 iso 0 dist 8.21225 9.73318 7.15398 8.45998 3.59127 10.208 numMergedOcc 0
38 mol 250 unq 1 iso 0 dist 8.21225 5.75551 6.13352 8.45998 3.59127 8.59509 numMergedOcc 0
39 mol 276 unq 0 iso 0 dist 9.63988 8.0652 15.2084 9.97709 8.55166 16.9357 numMergedOcc 0
40 mol 283 unq 0 iso 0 dist 8.56376 8.07626 7.83784 8.3831 9.87139 9.07999 numMergedOcc 0
41 mol 283 unq 1 iso 0 dist 8.56376 8.07626 7.83784 8.44179 9.77386 5.0232 numMergedOcc 0
42 mol 283 unq 2 iso 0 dist 8.56376 6.3448 12.5084 8.3831 9.87139 7.39416 numMergedOcc 0
43 mol 283 unq 3 iso 0 dist 8.56376 6.3448 12.5084 8.44179 9.77386 5.78526 numMergedOcc 0
