D04KQB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 1.010 0.134 -0.759 1.00 0.00 N HETATM 2 C UNL 1 1.019 -0.568 0.490 1.00 0.00 C HETATM 3 C UNL 1 -0.500 -0.862 0.571 1.00 0.00 C HETATM 4 C UNL 1 -1.010 0.149 -0.277 1.00 0.00 C HETATM 5 N UNL 1 -0.171 0.485 -1.228 1.00 0.00 N HETATM 6 C UNL 1 2.134 0.692 -1.323 1.00 0.00 C HETATM 7 C UNL 1 3.154 1.021 -0.567 1.00 0.00 C HETATM 8 C UNL 1 3.479 0.041 0.513 1.00 0.00 C HETATM 9 N UNL 1 2.448 -0.740 1.022 1.00 0.00 N HETATM 10 N UNL 1 4.980 0.139 0.775 1.00 0.00 N HETATM 11 C UNL 1 5.749 -0.914 1.451 1.00 0.00 C HETATM 12 C UNL 1 6.592 -1.558 0.340 1.00 0.00 C HETATM 13 C UNL 1 7.061 -0.444 -0.557 1.00 0.00 C HETATM 14 C UNL 1 6.090 0.714 -0.234 1.00 0.00 C HETATM 15 C UNL 1 6.883 1.985 0.222 1.00 0.00 C HETATM 16 C UNL 1 8.224 2.132 0.645 1.00 0.00 C HETATM 17 C UNL 1 8.710 3.401 1.059 1.00 0.00 C HETATM 18 C UNL 1 7.958 4.540 0.828 1.00 0.00 C HETATM 19 C UNL 1 6.881 4.406 -0.011 1.00 0.00 C HETATM 20 C UNL 1 6.177 3.194 0.116 1.00 0.00 C HETATM 21 F UNL 1 9.894 3.515 1.669 1.00 0.00 F HETATM 22 N UNL 1 -1.635 -1.783 1.066 1.00 0.00 N HETATM 23 C UNL 1 -3.094 -1.363 0.978 1.00 0.00 C HETATM 24 O UNL 1 -3.457 -0.174 1.085 1.00 0.00 O HETATM 25 N UNL 1 -4.113 -2.400 0.834 1.00 0.00 N HETATM 26 C UNL 1 -5.626 -2.033 0.936 1.00 0.00 C HETATM 27 C UNL 1 -5.923 -3.312 0.130 1.00 0.00 C HETATM 28 C UNL 1 -4.504 -3.069 -0.471 1.00 0.00 C HETATM 29 O UNL 1 -7.098 -3.305 -0.730 1.00 0.00 O HETATM 30 F UNL 1 5.854 -2.427 -0.390 1.00 0.00 F HETATM 31 F UNL 1 7.653 -2.238 0.828 1.00 0.00 F HETATM 32 H UNL 1 -2.023 0.497 -0.382 1.00 0.00 H HETATM 33 H UNL 1 2.012 1.091 -2.325 1.00 0.00 H HETATM 34 H UNL 1 3.872 1.760 -0.865 1.00 0.00 H HETATM 35 H UNL 1 5.133 -1.621 1.992 1.00 0.00 H HETATM 36 H UNL 1 6.443 -0.425 2.153 1.00 0.00 H HETATM 37 H UNL 1 6.981 -0.729 -1.616 1.00 0.00 H HETATM 38 H UNL 1 8.124 -0.223 -0.414 1.00 0.00 H HETATM 39 H UNL 1 5.645 0.976 -1.203 1.00 0.00 H HETATM 40 H UNL 1 8.938 1.317 0.743 1.00 0.00 H HETATM 41 H UNL 1 8.257 5.520 1.193 1.00 0.00 H HETATM 42 H UNL 1 7.231 4.542 -1.065 1.00 0.00 H HETATM 43 H UNL 1 5.319 3.233 0.786 1.00 0.00 H HETATM 44 H UNL 1 -1.399 -2.690 1.426 1.00 0.00 H HETATM 45 H UNL 1 -5.931 -1.125 0.396 1.00 0.00 H HETATM 46 H UNL 1 -6.074 -2.050 1.932 1.00 0.00 H HETATM 47 H UNL 1 -6.000 -4.202 0.770 1.00 0.00 H HETATM 48 H UNL 1 -4.524 -2.396 -1.337 1.00 0.00 H HETATM 49 H UNL 1 -3.980 -3.996 -0.693 1.00 0.00 H HETATM 50 H UNL 1 -6.815 -3.068 -1.632 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 9 CONECT 3 2 4 22 CONECT 4 3 5 32 CONECT 5 4 1 CONECT 6 1 7 33 CONECT 7 6 8 34 CONECT 8 7 9 10 CONECT 9 8 2 CONECT 10 8 11 14 CONECT 11 10 12 35 36 CONECT 12 11 13 30 31 CONECT 13 12 14 37 38 CONECT 14 13 10 15 39 CONECT 15 16 20 14 CONECT 16 15 17 40 CONECT 17 16 18 21 CONECT 18 17 19 41 CONECT 19 18 20 42 CONECT 20 19 15 43 CONECT 21 17 CONECT 22 3 23 44 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 28 CONECT 26 25 27 45 46 CONECT 27 26 28 29 47 CONECT 28 27 25 48 49 CONECT 29 27 50 CONECT 30 12 CONECT 31 12 CONECT 32 4 CONECT 33 6 CONECT 34 7 CONECT 35 11 CONECT 36 11 CONECT 37 13 CONECT 38 13 CONECT 39 14 CONECT 40 16 CONECT 41 18 CONECT 42 19 CONECT 43 20 CONECT 44 22 CONECT 45 26 CONECT 46 26 CONECT 47 27 CONECT 48 28 CONECT 49 28 CONECT 50 29 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$