D0DC3S AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.547 2.318 0.088 1.00 0.00 C HETATM 2 C UNL 1 1.908 2.714 1.248 1.00 0.00 C HETATM 3 C UNL 1 2.640 2.855 2.431 1.00 0.00 C HETATM 4 C UNL 1 3.874 2.199 2.482 1.00 0.00 C HETATM 5 C UNL 1 4.271 1.364 1.440 1.00 0.00 C HETATM 6 C UNL 1 3.644 1.486 0.203 1.00 0.00 C HETATM 7 N UNL 1 2.225 3.720 3.493 1.00 0.00 N HETATM 8 C UNL 1 0.948 4.183 3.878 1.00 0.00 C HETATM 9 C UNL 1 1.255 5.196 4.804 1.00 0.00 C HETATM 10 C UNL 1 2.692 5.307 4.935 1.00 0.00 C HETATM 11 N UNL 1 3.246 4.317 4.229 1.00 0.00 N HETATM 12 C UNL 1 -0.430 3.725 3.467 1.00 0.00 C HETATM 13 C UNL 1 3.406 6.198 5.958 1.00 0.00 C HETATM 14 C UNL 1 4.814 6.794 5.745 1.00 0.00 C HETATM 15 C UNL 1 5.715 6.629 4.686 1.00 0.00 C HETATM 16 C UNL 1 7.019 7.254 4.681 1.00 0.00 C HETATM 17 C UNL 1 7.474 8.055 5.736 1.00 0.00 C HETATM 18 C UNL 1 6.585 8.241 6.791 1.00 0.00 C HETATM 19 C UNL 1 5.298 7.629 6.793 1.00 0.00 C HETATM 20 N UNL 1 8.758 8.693 5.842 1.00 0.00 N HETATM 21 C UNL 1 9.816 8.714 4.950 1.00 0.00 C HETATM 22 O UNL 1 9.829 8.163 3.849 1.00 0.00 O HETATM 23 C UNL 1 11.029 9.595 5.408 1.00 0.00 C HETATM 24 O UNL 1 11.597 9.273 6.676 1.00 0.00 O HETATM 25 C UNL 1 12.737 10.080 7.017 1.00 0.00 C HETATM 26 C UNL 1 12.462 11.542 7.322 1.00 0.00 C HETATM 27 O UNL 1 11.323 11.958 7.555 1.00 0.00 O HETATM 28 N UNL 1 13.534 12.402 7.315 1.00 0.00 N HETATM 29 C UNL 1 13.412 13.823 7.553 1.00 0.00 C HETATM 30 C UNL 1 -0.779 2.393 3.144 1.00 0.00 C HETATM 31 C UNL 1 -2.091 2.051 2.714 1.00 0.00 C HETATM 32 C UNL 1 -3.097 2.999 2.663 1.00 0.00 C HETATM 33 C UNL 1 -2.812 4.311 3.049 1.00 0.00 C HETATM 34 C UNL 1 -1.488 4.653 3.431 1.00 0.00 C HETATM 35 BR UNL 1 -4.828 2.540 2.101 1.00 0.00 Br HETATM 36 S UNL 1 4.122 0.509 -1.178 1.00 0.00 S HETATM 37 O UNL 1 4.979 -0.581 -0.717 1.00 0.00 O HETATM 38 O UNL 1 3.013 0.304 -2.042 1.00 0.00 O HETATM 39 N UNL 1 5.162 1.564 -1.993 1.00 0.00 N HETATM 40 H UNL 1 2.177 2.634 -0.888 1.00 0.00 H HETATM 41 H UNL 1 0.829 2.569 1.275 1.00 0.00 H HETATM 42 H UNL 1 4.488 2.270 3.376 1.00 0.00 H HETATM 43 H UNL 1 5.113 0.683 1.574 1.00 0.00 H HETATM 44 H UNL 1 0.528 5.759 5.368 1.00 0.00 H HETATM 45 H UNL 1 3.435 5.628 6.897 1.00 0.00 H HETATM 46 H UNL 1 2.741 7.058 6.128 1.00 0.00 H HETATM 47 H UNL 1 5.441 6.004 3.838 1.00 0.00 H HETATM 48 H UNL 1 7.663 7.071 3.819 1.00 0.00 H HETATM 49 H UNL 1 6.858 8.860 7.636 1.00 0.00 H HETATM 50 H UNL 1 4.666 7.823 7.661 1.00 0.00 H HETATM 51 H UNL 1 8.928 9.213 6.707 1.00 0.00 H HETATM 52 H UNL 1 10.694 10.639 5.407 1.00 0.00 H HETATM 53 H UNL 1 11.815 9.503 4.644 1.00 0.00 H HETATM 54 H UNL 1 13.507 10.000 6.237 1.00 0.00 H HETATM 55 H UNL 1 13.158 9.653 7.935 1.00 0.00 H HETATM 56 H UNL 1 14.469 12.027 7.115 1.00 0.00 H HETATM 57 H UNL 1 12.389 14.101 7.803 1.00 0.00 H HETATM 58 H UNL 1 13.722 14.347 6.650 1.00 0.00 H HETATM 59 H UNL 1 14.075 14.097 8.376 1.00 0.00 H HETATM 60 H UNL 1 -0.059 1.588 3.206 1.00 0.00 H HETATM 61 H UNL 1 -2.311 1.019 2.419 1.00 0.00 H HETATM 62 H UNL 1 -3.588 5.063 3.044 1.00 0.00 H HETATM 63 H UNL 1 -1.319 5.688 3.705 1.00 0.00 H HETATM 64 H UNL 1 6.097 1.177 -2.011 1.00 0.00 H HETATM 65 H UNL 1 4.775 1.773 -2.910 1.00 0.00 H CONECT 1 2 6 40 CONECT 2 1 3 41 CONECT 3 2 4 7 CONECT 4 3 5 42 CONECT 5 4 6 43 CONECT 6 5 1 36 CONECT 7 3 8 11 CONECT 8 7 9 12 CONECT 9 8 10 44 CONECT 10 9 11 13 CONECT 11 10 7 CONECT 12 8 30 34 CONECT 13 10 14 45 46 CONECT 14 13 15 19 CONECT 15 14 16 47 CONECT 16 15 17 48 CONECT 17 16 18 20 CONECT 18 17 19 49 CONECT 19 18 14 50 CONECT 20 17 21 51 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 52 53 CONECT 24 23 25 CONECT 25 24 26 54 55 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 56 CONECT 29 28 57 58 59 CONECT 30 12 31 60 CONECT 31 30 32 61 CONECT 32 31 33 35 CONECT 33 32 34 62 CONECT 34 33 12 63 CONECT 35 32 CONECT 36 6 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36 64 65 CONECT 40 1 CONECT 41 2 CONECT 42 4 CONECT 43 5 CONECT 44 9 CONECT 45 13 CONECT 46 13 CONECT 47 15 CONECT 48 16 CONECT 49 18 CONECT 50 19 CONECT 51 20 CONECT 52 23 CONECT 53 23 CONECT 54 25 CONECT 55 25 CONECT 56 28 CONECT 57 29 CONECT 58 29 CONECT 59 29 CONECT 60 30 CONECT 61 31 CONECT 62 33 CONECT 63 34 CONECT 64 39 CONECT 65 39 MASTER 0 0 0 0 0 0 0 0 65 0 65 0 END M END $$$$