0 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 13.1329 7.92924 14.5809 7.23812 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 13.1329 7.92924 9.59988 7.23812 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 13.1329 5.4653 14.5809 7.23812 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 13.1329 5.4653 9.59988 7.23812 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 16.3515 9.02288 18.5645 13.1329 7.09483 14.5809 5.36012 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 8.60363 4.24428 10.4402 16.3515 9.02288 18.5645 12.702 4.68175 13.8454 6.3777 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 8.60363 6.30194 8.0624 16.3515 9.02288 14.305 13.1329 7.09483 9.59988 5.36012 numMergedOcc 0
7 mol 73 unq 7 iso 0 dist 8.60363 6.30194 8.0624 16.3515 9.02288 14.305 12.702 4.68175 10.019 6.3777 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.65733 7.25166 12.6649 9.45174 5.53478 6.64673 8.14429 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 13.6801 10.3906 10.9609 9.4775 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 8.92801 7.11585 9.40823 4.71906 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 13.3929 9.67457 6.18308 10.7017 5.02037 5.4508 6.13878 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 12.3088 9.67457 6.18308 11.9511 5.02037 5.4508 6.13878 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 24.0171 17.1631 19.2546 9.92165 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 12.1554 5.8656 8.05007 8.80858 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 4.71683 8.3795 7.41812 9.44496 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 7.70189 9.67877 10.4667 9.78068 8.58088 17.2071 8.10903 5.27718 13.3533 9.04358 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 8.10903 5.27718 5.90131 9.04358 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 7.70189 9.12006 13.0489 9.78068 8.58088 10.1675 8.10903 5.27718 9.68064 9.04358 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 15.3912 9.72927 18.8774 12.3511 3.89234 17.2234 6.45326 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 9.34051 10.3702 7.24261 8.88221 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 15.5776 14.5909 15.3502 9.65027 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 14.1864 11.4101 8.26589 7.96485 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 15.7481 8.78407 11.2986 7.71088 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 15.7481 8.78407 7.46064 7.71088 numMergedOcc 0
25 mol 282 unq 2 iso 0 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 11.0423 9.73996 5.86383 7.71088 numMergedOcc 0
