HEADER Model coordinates for PDB-CCD CLR COMPND CLR AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 CLR A 1 7.375 11.573 2.719 1.00 20.00 C HETATM 2 C2 CLR A 1 7.708 12.020 1.294 1.00 20.00 C HETATM 3 C3 CLR A 1 6.704 11.477 0.256 1.00 20.00 C HETATM 4 C4 CLR A 1 5.290 11.925 0.686 1.00 20.00 C HETATM 5 C5 CLR A 1 4.910 11.585 2.121 1.00 20.00 C HETATM 6 C6 CLR A 1 3.730 10.985 2.364 1.00 20.00 C HETATM 7 C7 CLR A 1 3.282 10.583 3.776 1.00 20.00 C HETATM 8 C8 CLR A 1 4.135 11.297 4.864 1.00 20.00 C HETATM 9 C9 CLR A 1 5.646 11.220 4.495 1.00 20.00 C HETATM 10 C10 CLR A 1 5.956 11.983 3.184 1.00 20.00 C HETATM 11 C11 CLR A 1 6.562 11.606 5.668 1.00 20.00 C HETATM 12 C12 CLR A 1 6.230 10.865 6.976 1.00 20.00 C HETATM 13 C13 CLR A 1 4.747 11.133 7.362 1.00 20.00 C HETATM 14 C14 CLR A 1 3.901 10.577 6.172 1.00 20.00 C HETATM 15 C15 CLR A 1 2.423 10.515 6.686 1.00 20.00 C HETATM 16 C16 CLR A 1 2.603 10.254 8.244 1.00 20.00 C HETATM 17 C17 CLR A 1 4.184 10.213 8.492 1.00 20.00 C HETATM 18 C18 CLR A 1 4.427 12.609 7.643 1.00 20.00 C HETATM 19 C19 CLR A 1 5.904 13.519 3.455 1.00 20.00 C HETATM 20 C20 CLR A 1 4.485 10.635 9.927 1.00 20.00 C HETATM 21 C21 CLR A 1 5.984 10.768 10.284 1.00 20.00 C HETATM 22 C22 CLR A 1 3.880 9.480 10.796 1.00 20.00 C HETATM 23 C23 CLR A 1 3.871 9.810 12.292 1.00 20.00 C HETATM 24 C24 CLR A 1 2.942 8.704 12.917 1.00 20.00 C HETATM 25 C25 CLR A 1 2.687 9.037 14.404 1.00 20.00 C HETATM 26 C26 CLR A 1 4.072 9.088 15.104 1.00 20.00 C HETATM 27 C27 CLR A 1 1.649 8.119 15.096 1.00 20.00 C HETATM 28 O1 CLR A 1 7.001 11.833 -1.087 1.00 20.00 O HETATM 29 H11 CLR A 1 8.146 11.940 3.437 1.00 20.00 H HETATM 30 H12 CLR A 1 7.524 10.474 2.831 1.00 20.00 H HETATM 31 H21 CLR A 1 8.754 11.747 1.022 1.00 20.00 H HETATM 32 H22 CLR A 1 7.791 13.130 1.230 1.00 20.00 H HETATM 33 H3 CLR A 1 6.774 10.364 0.249 1.00 20.00 H HETATM 34 H41 CLR A 1 4.528 11.518 -0.019 1.00 20.00 H HETATM 35 H42 CLR A 1 5.162 13.018 0.504 1.00 20.00 H HETATM 36 H6 CLR A 1 3.151 10.828 1.439 1.00 20.00 H HETATM 37 H71 CLR A 1 3.292 9.476 3.909 1.00 20.00 H HETATM 38 H72 CLR A 1 2.192 10.764 3.927 1.00 20.00 H HETATM 39 H8 CLR A 1 3.844 12.371 4.941 1.00 20.00 H HETATM 40 H9 CLR A 1 5.881 10.150 4.289 1.00 20.00 H HETATM 41 H111 CLR A 1 6.556 12.710 5.827 1.00 20.00 H HETATM 42 H112 CLR A 1 7.634 11.464 5.395 1.00 20.00 H HETATM 43 H121 CLR A 1 6.934 11.128 7.800 1.00 20.00 H HETATM 44 H122 CLR A 1 6.459 9.776 6.913 1.00 20.00 H HETATM 45 H14 CLR A 1 4.222 9.550 5.881 1.00 20.00 H HETATM 46 H151 CLR A 1 1.777 9.774 6.160 1.00 20.00 H HETATM 47 H152 CLR A 1 1.802 11.405 6.431 1.00 20.00 H HETATM 48 H161 CLR A 1 2.068 9.347 8.611 1.00 20.00 H HETATM 49 H162 CLR A 1 2.068 10.991 8.887 1.00 20.00 H HETATM 50 H17 CLR A 1 4.668 9.211 8.422 1.00 20.00 H HETATM 51 H181 CLR A 1 4.726 13.245 6.777 1.00 20.00 H HETATM 52 H182 CLR A 1 3.364 12.801 7.920 1.00 20.00 H HETATM 53 H183 CLR A 1 5.113 13.016 8.423 1.00 20.00 H HETATM 54 H191 CLR A 1 6.241 14.110 2.572 1.00 20.00 H HETATM 55 H192 CLR A 1 4.882 13.814 3.790 1.00 20.00 H HETATM 56 H193 CLR A 1 6.690 13.842 4.177 1.00 20.00 H HETATM 57 H20 CLR A 1 4.062 11.653 10.097 1.00 20.00 H HETATM 58 H211 CLR A 1 6.486 11.462 9.570 1.00 20.00 H HETATM 59 H212 CLR A 1 6.204 11.076 11.333 1.00 20.00 H HETATM 60 H213 CLR A 1 6.518 9.819 10.046 1.00 20.00 H HETATM 61 H221 CLR A 1 4.405 8.516 10.602 1.00 20.00 H HETATM 62 H222 CLR A 1 2.860 9.204 10.441 1.00 20.00 H HETATM 63 H231 CLR A 1 3.565 10.855 12.530 1.00 20.00 H HETATM 64 H232 CLR A 1 4.884 9.874 12.754 1.00 20.00 H HETATM 65 H241 CLR A 1 3.353 7.677 12.777 1.00 20.00 H HETATM 66 H242 CLR A 1 1.995 8.573 12.344 1.00 20.00 H HETATM 67 H25 CLR A 1 2.191 10.032 14.487 1.00 20.00 H HETATM 68 H261 CLR A 1 4.784 9.792 14.614 1.00 20.00 H HETATM 69 H262 CLR A 1 3.888 9.328 16.177 1.00 20.00 H HETATM 70 H263 CLR A 1 4.669 8.158 14.960 1.00 20.00 H HETATM 71 H271 CLR A 1 1.939 7.049 14.981 1.00 20.00 H HETATM 72 H272 CLR A 1 1.465 8.359 16.169 1.00 20.00 H HETATM 73 H273 CLR A 1 0.690 8.119 14.528 1.00 20.00 H HETATM 74 H1 CLR A 1 6.383 11.499 -1.726 1.00 20.00 H CONECT 1 2 10 29 30 CONECT 2 3 31 32 CONECT 3 4 28 33 CONECT 4 5 34 35 CONECT 5 6 6 10 CONECT 6 7 36 CONECT 7 8 37 38 CONECT 8 9 14 39 CONECT 9 10 11 40 CONECT 10 19 CONECT 11 12 41 42 CONECT 12 13 43 44 CONECT 13 14 17 18 CONECT 14 15 45 CONECT 15 16 46 47 CONECT 16 17 48 49 CONECT 17 20 50 CONECT 18 51 52 53 CONECT 19 54 55 56 CONECT 20 21 22 57 CONECT 21 58 59 60 CONECT 22 23 61 62 CONECT 23 24 63 64 CONECT 24 25 65 66 CONECT 25 26 27 67 CONECT 26 68 69 70 CONECT 27 71 72 73 CONECT 28 74 END