D01IJA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.154 -1.119 4.008 1.00 0.00 C HETATM 2 N UNL 1 3.085 0.030 4.927 1.00 0.00 N HETATM 3 C UNL 1 4.367 0.763 4.939 1.00 0.00 C HETATM 4 C UNL 1 4.995 1.083 3.557 1.00 0.00 C HETATM 5 N UNL 1 4.973 -0.001 2.579 1.00 0.00 N HETATM 6 C UNL 1 3.772 -0.842 2.599 1.00 0.00 C HETATM 7 C UNL 1 5.696 0.210 1.374 1.00 0.00 C HETATM 8 O UNL 1 5.488 -0.752 0.420 1.00 0.00 O HETATM 9 C UNL 1 6.032 -0.658 -0.967 1.00 0.00 C HETATM 10 O UNL 1 6.444 1.163 1.188 1.00 0.00 O HETATM 11 C UNL 1 2.622 -0.283 6.315 1.00 0.00 C HETATM 12 C UNL 1 1.136 -0.673 6.385 1.00 0.00 C HETATM 13 C UNL 1 3.419 -1.341 7.102 1.00 0.00 C HETATM 14 C UNL 1 7.530 -0.929 -1.039 1.00 0.00 C HETATM 15 C UNL 1 8.116 -1.635 -2.273 1.00 0.00 C HETATM 16 N UNL 1 7.230 -2.469 -3.089 1.00 0.00 N HETATM 17 C UNL 1 5.782 -2.402 -2.951 1.00 0.00 C HETATM 18 C UNL 1 5.196 -1.647 -1.766 1.00 0.00 C HETATM 19 C UNL 1 7.764 -3.246 -4.149 1.00 0.00 C HETATM 20 C UNL 1 6.998 -4.097 -4.976 1.00 0.00 C HETATM 21 N UNL 1 7.450 -4.902 -5.995 1.00 0.00 N HETATM 22 C UNL 1 8.785 -4.882 -6.221 1.00 0.00 C HETATM 23 C UNL 1 9.650 -4.079 -5.492 1.00 0.00 C HETATM 24 C UNL 1 9.131 -3.262 -4.471 1.00 0.00 C HETATM 25 C UNL 1 9.341 -5.764 -7.311 1.00 0.00 C HETATM 26 N UNL 1 8.435 -6.442 -8.081 1.00 0.00 N HETATM 27 O UNL 1 10.544 -5.868 -7.517 1.00 0.00 O HETATM 28 H UNL 1 2.134 -1.488 3.840 1.00 0.00 H HETATM 29 H UNL 1 3.719 -1.937 4.467 1.00 0.00 H HETATM 30 H UNL 1 4.205 1.724 5.448 1.00 0.00 H HETATM 31 H UNL 1 5.110 0.217 5.528 1.00 0.00 H HETATM 32 H UNL 1 6.041 1.375 3.718 1.00 0.00 H HETATM 33 H UNL 1 4.484 1.945 3.111 1.00 0.00 H HETATM 34 H UNL 1 4.014 -1.802 2.129 1.00 0.00 H HETATM 35 H UNL 1 3.026 -0.348 1.963 1.00 0.00 H HETATM 36 H UNL 1 5.826 0.359 -1.331 1.00 0.00 H HETATM 37 H UNL 1 2.695 0.652 6.889 1.00 0.00 H HETATM 38 H UNL 1 0.953 -1.674 5.980 1.00 0.00 H HETATM 39 H UNL 1 0.504 0.044 5.853 1.00 0.00 H HETATM 40 H UNL 1 0.799 -0.684 7.431 1.00 0.00 H HETATM 41 H UNL 1 3.264 -2.351 6.707 1.00 0.00 H HETATM 42 H UNL 1 3.088 -1.356 8.150 1.00 0.00 H HETATM 43 H UNL 1 4.492 -1.135 7.118 1.00 0.00 H HETATM 44 H UNL 1 7.859 -1.449 -0.134 1.00 0.00 H HETATM 45 H UNL 1 8.039 0.047 -0.980 1.00 0.00 H HETATM 46 H UNL 1 8.919 -2.280 -1.888 1.00 0.00 H HETATM 47 H UNL 1 8.605 -0.889 -2.914 1.00 0.00 H HETATM 48 H UNL 1 5.413 -3.432 -2.844 1.00 0.00 H HETATM 49 H UNL 1 5.339 -2.010 -3.876 1.00 0.00 H HETATM 50 H UNL 1 4.309 -1.108 -2.130 1.00 0.00 H HETATM 51 H UNL 1 4.776 -2.391 -1.077 1.00 0.00 H HETATM 52 H UNL 1 5.923 -4.183 -4.847 1.00 0.00 H HETATM 53 H UNL 1 10.713 -4.086 -5.712 1.00 0.00 H HETATM 54 H UNL 1 9.845 -2.638 -3.944 1.00 0.00 H HETATM 55 H UNL 1 7.443 -6.321 -7.918 1.00 0.00 H HETATM 56 H UNL 1 8.770 -7.024 -8.850 1.00 0.00 H CONECT 1 2 6 28 29 CONECT 2 1 3 11 CONECT 3 2 4 30 31 CONECT 4 3 5 32 33 CONECT 5 4 6 7 CONECT 6 5 1 34 35 CONECT 7 5 8 10 CONECT 8 7 9 CONECT 9 8 14 18 36 CONECT 10 7 CONECT 11 2 12 13 37 CONECT 12 11 38 39 40 CONECT 13 11 41 42 43 CONECT 14 9 15 44 45 CONECT 15 14 16 46 47 CONECT 16 15 17 19 CONECT 17 16 18 48 49 CONECT 18 17 9 50 51 CONECT 19 16 20 24 CONECT 20 19 21 52 CONECT 21 20 22 CONECT 22 21 23 25 CONECT 23 22 24 53 CONECT 24 23 19 54 CONECT 25 22 26 27 CONECT 26 25 55 56 CONECT 27 25 CONECT 28 1 CONECT 29 1 CONECT 30 3 CONECT 31 3 CONECT 32 4 CONECT 33 4 CONECT 34 6 CONECT 35 6 CONECT 36 9 CONECT 37 11 CONECT 38 12 CONECT 39 12 CONECT 40 12 CONECT 41 13 CONECT 42 13 CONECT 43 13 CONECT 44 14 CONECT 45 14 CONECT 46 15 CONECT 47 15 CONECT 48 17 CONECT 49 17 CONECT 50 18 CONECT 51 18 CONECT 52 20 CONECT 53 23 CONECT 54 24 CONECT 55 26 CONECT 56 26 MASTER 0 0 0 0 0 0 0 0 56 0 56 0 END M END $$$$