D00BFF AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.613 -8.178 -3.715 1.00 0.00 C HETATM 2 C UNL 1 2.255 -7.437 -4.842 1.00 0.00 C HETATM 3 C UNL 1 2.089 -6.067 -4.690 1.00 0.00 C HETATM 4 C UNL 1 1.822 -5.603 -3.405 1.00 0.00 C HETATM 5 C UNL 1 2.748 -6.110 -2.508 1.00 0.00 C HETATM 6 C UNL 1 3.026 -7.474 -2.581 1.00 0.00 C HETATM 7 CL UNL 1 4.114 -5.101 -2.089 1.00 0.00 Cl HETATM 8 CL UNL 1 2.664 -5.005 -5.914 1.00 0.00 Cl HETATM 9 C UNL 1 0.270 -5.745 -3.130 1.00 0.00 C HETATM 10 S UNL 1 -0.261 -6.324 -1.507 1.00 0.00 S HETATM 11 O UNL 1 0.152 -7.685 -1.341 1.00 0.00 O HETATM 12 O UNL 1 0.058 -5.336 -0.509 1.00 0.00 O HETATM 13 C UNL 1 -2.106 -6.415 -1.585 1.00 0.00 C HETATM 14 C UNL 1 -2.818 -7.633 -1.707 1.00 0.00 C HETATM 15 C UNL 1 -4.249 -7.633 -1.756 1.00 0.00 C HETATM 16 C UNL 1 -4.968 -6.464 -1.508 1.00 0.00 C HETATM 17 C UNL 1 -4.241 -5.273 -1.333 1.00 0.00 C HETATM 18 C UNL 1 -2.830 -5.239 -1.400 1.00 0.00 C HETATM 19 N UNL 1 -4.939 -8.781 -2.214 1.00 0.00 N HETATM 20 C UNL 1 -6.199 -8.742 -2.791 1.00 0.00 C HETATM 21 C UNL 1 -7.274 -7.867 -2.196 1.00 0.00 C HETATM 22 S UNL 1 -6.757 -6.442 -1.348 1.00 0.00 S HETATM 23 O UNL 1 -6.414 -9.446 -3.775 1.00 0.00 O HETATM 24 C UNL 1 -8.563 -8.297 -2.354 1.00 0.00 C HETATM 25 C UNL 1 -9.848 -7.831 -1.749 1.00 0.00 C HETATM 26 C UNL 1 -11.132 -8.227 -2.159 1.00 0.00 C HETATM 27 C UNL 1 -12.227 -8.118 -1.252 1.00 0.00 C HETATM 28 C UNL 1 -12.199 -7.034 -0.396 1.00 0.00 C HETATM 29 C UNL 1 -10.974 -6.476 -0.128 1.00 0.00 C HETATM 30 C UNL 1 -9.831 -7.151 -0.546 1.00 0.00 C HETATM 31 O UNL 1 -13.301 -6.384 0.068 1.00 0.00 O HETATM 32 N UNL 1 -12.577 -9.433 -0.608 1.00 0.00 N1+ HETATM 33 O UNL 1 -12.919 -9.436 0.586 1.00 0.00 O HETATM 34 O UNL 1 -12.472 -10.457 -1.303 1.00 0.00 O1- HETATM 35 H UNL 1 2.773 -9.248 -3.784 1.00 0.00 H HETATM 36 H UNL 1 2.240 -7.898 -5.824 1.00 0.00 H HETATM 37 H UNL 1 3.691 -7.946 -1.863 1.00 0.00 H HETATM 38 H UNL 1 -0.153 -6.480 -3.825 1.00 0.00 H HETATM 39 H UNL 1 -0.189 -4.772 -3.302 1.00 0.00 H HETATM 40 H UNL 1 -2.272 -8.571 -1.789 1.00 0.00 H HETATM 41 H UNL 1 -4.775 -4.344 -1.138 1.00 0.00 H HETATM 42 H UNL 1 -2.316 -4.287 -1.266 1.00 0.00 H HETATM 43 H UNL 1 -4.366 -9.537 -2.574 1.00 0.00 H HETATM 44 H UNL 1 -8.725 -9.176 -2.982 1.00 0.00 H HETATM 45 H UNL 1 -11.332 -8.638 -3.146 1.00 0.00 H HETATM 46 H UNL 1 -10.911 -5.438 0.179 1.00 0.00 H HETATM 47 H UNL 1 -9.188 -7.589 0.228 1.00 0.00 H HETATM 48 H UNL 1 -14.118 -6.805 -0.251 1.00 0.00 H CONECT 1 2 6 35 CONECT 2 1 3 36 CONECT 3 2 4 8 CONECT 4 3 5 9 CONECT 5 4 6 7 CONECT 6 5 1 37 CONECT 7 5 CONECT 8 3 CONECT 9 4 10 38 39 CONECT 10 9 11 12 13 CONECT 11 10 CONECT 12 10 CONECT 13 10 14 18 CONECT 14 13 15 40 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 41 CONECT 18 17 13 42 CONECT 19 15 20 43 CONECT 20 19 21 23 CONECT 21 20 22 24 CONECT 22 21 16 CONECT 23 20 CONECT 24 21 25 44 CONECT 25 24 26 30 CONECT 26 25 27 45 CONECT 27 26 28 32 CONECT 28 27 29 31 CONECT 29 28 30 46 CONECT 30 29 25 47 CONECT 31 28 48 CONECT 32 27 33 34 CONECT 33 32 CONECT 34 32 CONECT 35 1 CONECT 36 2 CONECT 37 6 CONECT 38 9 CONECT 39 9 CONECT 40 14 CONECT 41 17 CONECT 42 18 CONECT 43 19 CONECT 44 24 CONECT 45 26 CONECT 46 29 CONECT 47 30 CONECT 48 31 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END M END $$$$