D0SQ1R AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 5.300 2.807 -3.038 1.00 0.00 C HETATM 2 C UNL 1 4.610 1.655 -2.668 1.00 0.00 C HETATM 3 C UNL 1 5.326 0.601 -2.076 1.00 0.00 C HETATM 4 C UNL 1 6.720 0.621 -2.142 1.00 0.00 C HETATM 5 C UNL 1 7.215 1.447 -3.142 1.00 0.00 C HETATM 6 C UNL 1 6.690 2.721 -3.042 1.00 0.00 C HETATM 7 CL UNL 1 2.906 1.575 -2.840 1.00 0.00 Cl HETATM 8 C UNL 1 6.998 0.902 -4.608 1.00 0.00 C HETATM 9 C UNL 1 7.464 3.828 -2.456 1.00 0.00 C HETATM 10 N UNL 1 8.503 3.513 -1.570 1.00 0.00 N HETATM 11 O UNL 1 7.128 4.980 -2.703 1.00 0.00 O HETATM 12 C UNL 1 9.176 4.619 -0.928 1.00 0.00 C HETATM 13 N UNL 1 7.537 -0.133 -1.298 1.00 0.00 N HETATM 14 C UNL 1 8.795 -0.636 -1.951 1.00 0.00 C HETATM 15 C UNL 1 7.872 0.401 0.106 1.00 0.00 C HETATM 16 C UNL 1 7.061 1.528 0.798 1.00 0.00 C HETATM 17 C UNL 1 6.119 1.211 2.004 1.00 0.00 C HETATM 18 C UNL 1 6.121 -0.217 2.634 1.00 0.00 C HETATM 19 C UNL 1 6.555 -1.163 1.506 1.00 0.00 C HETATM 20 C UNL 1 7.963 -0.790 1.056 1.00 0.00 C HETATM 21 N UNL 1 6.953 -0.445 3.859 1.00 0.00 N HETATM 22 C UNL 1 6.831 -1.840 4.337 1.00 0.00 C HETATM 23 C UNL 1 6.593 0.418 4.991 1.00 0.00 C HETATM 24 C UNL 1 8.589 -1.582 -3.123 1.00 0.00 C HETATM 25 C UNL 1 10.062 4.313 0.269 1.00 0.00 C HETATM 26 C UNL 1 9.430 4.924 1.508 1.00 0.00 C HETATM 27 N UNL 1 9.930 6.209 1.659 1.00 0.00 N HETATM 28 N UNL 1 11.027 6.325 0.781 1.00 0.00 N HETATM 29 C UNL 1 11.241 5.000 0.343 1.00 0.00 C HETATM 30 C UNL 1 10.711 7.349 -0.243 1.00 0.00 C HETATM 31 O UNL 1 12.430 4.479 0.821 1.00 0.00 O HETATM 32 O UNL 1 8.677 4.335 2.265 1.00 0.00 O HETATM 33 C UNL 1 12.402 3.178 1.402 1.00 0.00 C HETATM 34 H UNL 1 4.796 3.750 -3.215 1.00 0.00 H HETATM 35 H UNL 1 4.809 -0.208 -1.571 1.00 0.00 H HETATM 36 H UNL 1 6.727 -0.160 -4.612 1.00 0.00 H HETATM 37 H UNL 1 7.900 1.058 -5.205 1.00 0.00 H HETATM 38 H UNL 1 6.166 1.406 -5.121 1.00 0.00 H HETATM 39 H UNL 1 8.804 2.554 -1.443 1.00 0.00 H HETATM 40 H UNL 1 8.405 5.347 -0.651 1.00 0.00 H HETATM 41 H UNL 1 9.781 5.078 -1.722 1.00 0.00 H HETATM 42 H UNL 1 9.367 -1.206 -1.212 1.00 0.00 H HETATM 43 H UNL 1 9.443 0.202 -2.241 1.00 0.00 H HETATM 44 H UNL 1 8.884 0.822 0.004 1.00 0.00 H HETATM 45 H UNL 1 6.542 2.181 0.091 1.00 0.00 H HETATM 46 H UNL 1 7.827 2.181 1.242 1.00 0.00 H HETATM 47 H UNL 1 5.096 1.388 1.643 1.00 0.00 H HETATM 48 H UNL 1 6.258 1.984 2.772 1.00 0.00 H HETATM 49 H UNL 1 5.081 -0.445 2.905 1.00 0.00 H HETATM 50 H UNL 1 5.845 -1.076 0.673 1.00 0.00 H HETATM 51 H UNL 1 6.514 -2.214 1.794 1.00 0.00 H HETATM 52 H UNL 1 8.446 -1.656 0.601 1.00 0.00 H HETATM 53 H UNL 1 8.599 -0.506 1.907 1.00 0.00 H HETATM 54 H UNL 1 7.406 -1.995 5.258 1.00 0.00 H HETATM 55 H UNL 1 7.249 -2.560 3.628 1.00 0.00 H HETATM 56 H UNL 1 5.788 -2.112 4.540 1.00 0.00 H HETATM 57 H UNL 1 7.237 0.190 5.854 1.00 0.00 H HETATM 58 H UNL 1 5.555 0.272 5.311 1.00 0.00 H HETATM 59 H UNL 1 6.760 1.476 4.780 1.00 0.00 H HETATM 60 H UNL 1 7.716 -2.226 -2.996 1.00 0.00 H HETATM 61 H UNL 1 9.476 -2.211 -3.252 1.00 0.00 H HETATM 62 H UNL 1 8.501 -1.041 -4.065 1.00 0.00 H HETATM 63 H UNL 1 10.029 6.575 2.604 1.00 0.00 H HETATM 64 H UNL 1 10.966 8.346 0.125 1.00 0.00 H HETATM 65 H UNL 1 9.640 7.353 -0.492 1.00 0.00 H HETATM 66 H UNL 1 11.263 7.163 -1.171 1.00 0.00 H HETATM 67 H UNL 1 13.420 2.934 1.726 1.00 0.00 H HETATM 68 H UNL 1 12.091 2.429 0.670 1.00 0.00 H HETATM 69 H UNL 1 11.762 3.148 2.291 1.00 0.00 H CONECT 1 2 6 34 CONECT 2 1 3 7 CONECT 3 2 4 35 CONECT 4 3 5 13 CONECT 5 4 6 8 CONECT 6 5 1 9 CONECT 7 2 CONECT 8 5 36 37 38 CONECT 9 6 10 11 CONECT 10 9 12 39 CONECT 11 9 CONECT 12 10 25 40 41 CONECT 13 4 14 15 CONECT 14 13 24 42 43 CONECT 15 16 20 13 44 CONECT 16 15 17 45 46 CONECT 17 16 18 47 48 CONECT 18 17 19 21 49 CONECT 19 18 20 50 51 CONECT 20 19 15 52 53 CONECT 21 22 23 18 CONECT 22 21 54 55 56 CONECT 23 21 57 58 59 CONECT 24 14 60 61 62 CONECT 25 12 26 29 CONECT 26 25 27 32 CONECT 27 26 28 63 CONECT 28 27 29 30 CONECT 29 28 25 31 CONECT 30 28 64 65 66 CONECT 31 29 33 CONECT 32 26 CONECT 33 31 67 68 69 CONECT 34 1 CONECT 35 3 CONECT 36 8 CONECT 37 8 CONECT 38 8 CONECT 39 10 CONECT 40 12 CONECT 41 12 CONECT 42 14 CONECT 43 14 CONECT 44 15 CONECT 45 16 CONECT 46 16 CONECT 47 17 CONECT 48 17 CONECT 49 18 CONECT 50 19 CONECT 51 19 CONECT 52 20 CONECT 53 20 CONECT 54 22 CONECT 55 22 CONECT 56 22 CONECT 57 23 CONECT 58 23 CONECT 59 23 CONECT 60 24 CONECT 61 24 CONECT 62 24 CONECT 63 27 CONECT 64 30 CONECT 65 30 CONECT 66 30 CONECT 67 33 CONECT 68 33 CONECT 69 33 MASTER 0 0 0 0 0 0 0 0 69 0 69 0 END M END $$$$