COMPND STI.sdf AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.740 -0.022 8.889 1.00 0.00 C HETATM 2 C UNL 1 1.914 0.207 7.802 1.00 0.00 C HETATM 3 C UNL 1 2.435 0.009 6.520 1.00 0.00 C HETATM 4 C UNL 1 3.755 -0.413 6.387 1.00 0.00 C HETATM 5 N UNL 1 4.505 -0.614 7.452 1.00 0.00 N HETATM 6 C UNL 1 4.042 -0.436 8.674 1.00 0.00 C HETATM 7 C UNL 1 1.593 0.241 5.321 1.00 0.00 C HETATM 8 C UNL 1 2.131 0.848 4.183 1.00 0.00 C HETATM 9 C UNL 1 1.308 1.042 3.088 1.00 0.00 C HETATM 10 N UNL 1 0.045 0.651 3.150 1.00 0.00 N HETATM 11 C UNL 1 -0.438 0.077 4.242 1.00 0.00 C HETATM 12 N UNL 1 0.313 -0.122 5.314 1.00 0.00 N HETATM 13 N UNL 1 -1.765 -0.317 4.266 1.00 0.00 N HETATM 14 C UNL 1 -2.541 -0.230 3.106 1.00 0.00 C HETATM 15 C UNL 1 -3.901 0.040 3.198 1.00 0.00 C HETATM 16 C UNL 1 -4.669 0.126 2.052 1.00 0.00 C HETATM 17 C UNL 1 -4.087 -0.056 0.812 1.00 0.00 C HETATM 18 C UNL 1 -2.728 -0.327 0.714 1.00 0.00 C HETATM 19 C UNL 1 -1.955 -0.419 1.862 1.00 0.00 C HETATM 20 N UNL 1 -2.140 -0.512 -0.541 1.00 0.00 N HETATM 21 C UNL 1 -2.547 0.228 -1.591 1.00 0.00 C HETATM 22 C UNL 1 -1.994 -0.031 -2.937 1.00 0.00 C HETATM 23 C UNL 1 -2.413 0.734 -4.027 1.00 0.00 C HETATM 24 C UNL 1 -1.892 0.486 -5.280 1.00 0.00 C HETATM 25 C UNL 1 -0.957 -0.517 -5.458 1.00 0.00 C HETATM 26 C UNL 1 -0.542 -1.283 -4.384 1.00 0.00 C HETATM 27 C UNL 1 -1.050 -1.042 -3.124 1.00 0.00 C HETATM 28 C UNL 1 -0.393 -0.781 -6.830 1.00 0.00 C HETATM 29 N UNL 1 0.809 0.038 -7.032 1.00 0.00 N HETATM 30 C UNL 1 1.306 -0.264 -8.379 1.00 0.00 C HETATM 31 C UNL 1 2.629 0.463 -8.615 1.00 0.00 C HETATM 32 N UNL 1 3.638 -0.027 -7.668 1.00 0.00 N HETATM 33 C UNL 1 4.840 0.792 -7.870 1.00 0.00 C HETATM 34 C UNL 1 3.141 0.276 -6.321 1.00 0.00 C HETATM 35 C UNL 1 1.817 -0.452 -6.085 1.00 0.00 C HETATM 36 O UNL 1 -3.368 1.110 -1.431 1.00 0.00 O HETATM 37 C UNL 1 -4.539 0.240 4.548 1.00 0.00 C HETATM 38 H UNL 1 2.371 0.120 9.894 1.00 0.00 H HETATM 39 H UNL 1 0.893 0.532 7.941 1.00 0.00 H HETATM 40 H UNL 1 4.171 -0.570 5.403 1.00 0.00 H HETATM 41 H UNL 1 4.689 -0.616 9.519 1.00 0.00 H HETATM 42 H UNL 1 3.166 1.157 4.159 1.00 0.00 H HETATM 43 H UNL 1 1.692 1.508 2.193 1.00 0.00 H HETATM 44 H UNL 1 -2.157 -0.654 5.087 1.00 0.00 H HETATM 45 H UNL 1 -5.725 0.336 2.126 1.00 0.00 H HETATM 46 H UNL 1 -4.690 0.011 -0.080 1.00 0.00 H HETATM 47 H UNL 1 -0.899 -0.630 1.788 1.00 0.00 H HETATM 48 H UNL 1 -1.440 -1.173 -0.656 1.00 0.00 H HETATM 49 H UNL 1 -3.142 1.518 -3.889 1.00 0.00 H HETATM 50 H UNL 1 -2.216 1.077 -6.124 1.00 0.00 H HETATM 51 H UNL 1 0.187 -2.065 -4.530 1.00 0.00 H HETATM 52 H UNL 1 -0.722 -1.638 -2.285 1.00 0.00 H HETATM 53 H UNL 1 -1.137 -0.526 -7.585 1.00 0.00 H HETATM 54 H UNL 1 -0.132 -1.836 -6.919 1.00 0.00 H HETATM 55 H UNL 1 0.574 0.063 -9.118 1.00 0.00 H HETATM 56 H UNL 1 1.460 -1.339 -8.475 1.00 0.00 H HETATM 57 H UNL 1 2.486 1.533 -8.470 1.00 0.00 H HETATM 58 H UNL 1 2.968 0.278 -9.635 1.00 0.00 H HETATM 59 H UNL 1 5.623 0.464 -7.185 1.00 0.00 H HETATM 60 H UNL 1 5.187 0.682 -8.897 1.00 0.00 H HETATM 61 H UNL 1 4.603 1.838 -7.676 1.00 0.00 H HETATM 62 H UNL 1 3.872 -0.052 -5.582 1.00 0.00 H HETATM 63 H UNL 1 2.986 1.350 -6.225 1.00 0.00 H HETATM 64 H UNL 1 1.478 -0.267 -5.065 1.00 0.00 H HETATM 65 H UNL 1 1.961 -1.522 -6.230 1.00 0.00 H HETATM 66 H UNL 1 -4.890 -0.718 4.930 1.00 0.00 H HETATM 67 H UNL 1 -3.807 0.661 5.237 1.00 0.00 H HETATM 68 H UNL 1 -5.383 0.924 4.453 1.00 0.00 H CONECT 1 2 6 38 CONECT 2 1 3 39 CONECT 3 2 4 7 CONECT 4 3 5 40 CONECT 5 4 6 CONECT 6 1 5 41 CONECT 7 3 8 12 CONECT 8 7 9 42 CONECT 9 8 10 43 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 7 11 CONECT 13 11 14 44 CONECT 14 13 15 19 CONECT 15 14 16 37 CONECT 16 15 17 45 CONECT 17 16 18 46 CONECT 18 17 19 20 CONECT 19 14 18 47 CONECT 20 18 21 48 CONECT 21 20 22 36 CONECT 22 21 23 27 CONECT 23 22 24 49 CONECT 24 23 25 50 CONECT 25 24 26 28 CONECT 26 25 27 51 CONECT 27 22 26 52 CONECT 28 25 29 53 54 CONECT 29 28 30 35 CONECT 30 29 31 55 56 CONECT 31 30 32 57 58 CONECT 32 31 33 34 CONECT 33 32 59 60 61 CONECT 34 32 35 62 63 CONECT 35 29 34 64 65 CONECT 36 21 CONECT 37 15 66 67 68 CONECT 38 1 CONECT 39 2 CONECT 40 4 CONECT 41 6 CONECT 42 8 CONECT 43 9 CONECT 44 13 CONECT 45 16 CONECT 46 17 CONECT 47 19 CONECT 48 20 CONECT 49 23 CONECT 50 24 CONECT 51 26 CONECT 52 27 CONECT 53 28 CONECT 54 28 CONECT 55 30 CONECT 56 30 CONECT 57 31 CONECT 58 31 CONECT 59 33 CONECT 60 33 CONECT 61 33 CONECT 62 34 CONECT 63 34 CONECT 64 35 CONECT 65 35 CONECT 66 37 CONECT 67 37 CONECT 68 37 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END