D0J1HQ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.531 -0.665 -2.060 1.00 0.00 C HETATM 2 C UNL 1 -1.823 4.582 -1.706 1.00 0.00 C HETATM 3 C UNL 1 -1.021 4.272 -0.602 1.00 0.00 C HETATM 4 C UNL 1 -0.793 2.413 -0.332 1.00 0.00 C HETATM 5 C UNL 1 -0.317 0.565 -0.317 1.00 0.00 C HETATM 6 C UNL 1 0.413 -1.005 -0.825 1.00 0.00 C HETATM 7 CL UNL 1 1.837 0.885 -2.353 1.00 0.00 Cl HETATM 8 O UNL 1 -2.360 2.101 -0.200 1.00 0.00 O HETATM 9 N UNL 1 0.337 3.931 -1.783 1.00 0.00 N HETATM 10 C UNL 1 1.288 4.771 -2.265 1.00 0.00 C HETATM 11 N UNL 1 1.101 5.783 -3.176 1.00 0.00 N HETATM 12 C UNL 1 2.342 6.337 -3.452 1.00 0.00 C HETATM 13 C UNL 1 3.236 5.504 -2.786 1.00 0.00 C HETATM 14 N UNL 1 2.571 4.511 -2.132 1.00 0.00 N HETATM 15 C UNL 1 2.765 7.466 -4.167 1.00 0.00 C HETATM 16 C UNL 1 4.121 7.822 -4.029 1.00 0.00 C HETATM 17 C UNL 1 5.009 7.020 -3.296 1.00 0.00 C HETATM 18 C UNL 1 4.608 5.788 -2.776 1.00 0.00 C HETATM 19 S UNL 1 6.621 7.646 -2.855 1.00 0.00 S HETATM 20 N UNL 1 6.751 7.365 -1.168 1.00 0.00 N HETATM 21 O UNL 1 7.597 6.808 -3.524 1.00 0.00 O HETATM 22 O UNL 1 6.608 9.085 -3.041 1.00 0.00 O HETATM 23 C UNL 1 5.780 8.083 -0.267 1.00 0.00 C HETATM 24 C UNL 1 6.451 9.185 0.590 1.00 0.00 C HETATM 25 N UNL 1 7.510 9.905 -0.129 1.00 0.00 N HETATM 26 C UNL 1 8.590 8.959 -0.482 1.00 0.00 C HETATM 27 C UNL 1 8.150 7.485 -0.639 1.00 0.00 C HETATM 28 H UNL 1 -2.244 5.521 -1.642 1.00 0.00 H HETATM 29 H UNL 1 -1.238 0.162 0.178 1.00 0.00 H HETATM 30 H UNL 1 1.148 -1.418 -0.151 1.00 0.00 H HETATM 31 H UNL 1 -2.736 2.546 -0.988 1.00 0.00 H HETATM 32 H UNL 1 0.874 3.239 -1.254 1.00 0.00 H HETATM 33 H UNL 1 0.214 6.079 -3.551 1.00 0.00 H HETATM 34 H UNL 1 2.077 8.099 -4.718 1.00 0.00 H HETATM 35 H UNL 1 4.474 8.754 -4.473 1.00 0.00 H HETATM 36 H UNL 1 5.302 5.125 -2.270 1.00 0.00 H HETATM 37 H UNL 1 5.336 7.337 0.403 1.00 0.00 H HETATM 38 H UNL 1 4.961 8.519 -0.848 1.00 0.00 H HETATM 39 H UNL 1 6.877 8.747 1.503 1.00 0.00 H HETATM 40 H UNL 1 5.692 9.898 0.934 1.00 0.00 H HETATM 41 H UNL 1 7.110 10.233 -1.017 1.00 0.00 H HETATM 42 H UNL 1 9.368 9.012 0.289 1.00 0.00 H HETATM 43 H UNL 1 9.057 9.308 -1.410 1.00 0.00 H HETATM 44 H UNL 1 8.169 6.991 0.341 1.00 0.00 H HETATM 45 H UNL 1 8.857 6.934 -1.266 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 28 CONECT 3 2 4 9 CONECT 4 3 5 8 CONECT 5 4 6 29 CONECT 6 5 1 30 CONECT 7 1 CONECT 8 4 31 CONECT 9 3 10 32 CONECT 10 9 11 14 CONECT 11 10 12 33 CONECT 12 11 13 15 CONECT 13 12 14 18 CONECT 14 13 10 CONECT 15 12 16 34 CONECT 16 15 17 35 CONECT 17 16 18 19 CONECT 18 17 13 36 CONECT 19 17 20 21 22 CONECT 20 19 23 27 CONECT 21 19 CONECT 22 19 CONECT 23 20 24 37 38 CONECT 24 23 25 39 40 CONECT 25 24 26 41 CONECT 26 25 27 42 43 CONECT 27 26 20 44 45 CONECT 28 2 CONECT 29 5 CONECT 30 6 CONECT 31 8 CONECT 32 9 CONECT 33 11 CONECT 34 15 CONECT 35 16 CONECT 36 18 CONECT 37 23 CONECT 38 23 CONECT 39 24 CONECT 40 24 CONECT 41 25 CONECT 42 26 CONECT 43 26 CONECT 44 27 CONECT 45 27 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$