| COMPND 6dz3_ligand |
| HETATM 1 O1 UNL 1 -2.479 3.431 -0.215 1.00 0.00 O |
| HETATM 2 C1 UNL 1 -1.708 2.297 0.032 1.00 0.00 C |
| HETATM 3 C2 UNL 1 -2.202 1.555 1.258 1.00 0.00 C |
| HETATM 4 N1 UNL 1 -3.372 0.878 0.731 1.00 0.00 N1+ |
| HETATM 5 C3 UNL 1 -3.939 -0.042 1.696 1.00 0.00 C |
| HETATM 6 C4 UNL 1 -5.244 -0.548 1.264 1.00 0.00 C |
| HETATM 7 C5 UNL 1 -6.462 0.115 1.283 1.00 0.00 C |
| HETATM 8 N2 UNL 1 -6.802 1.354 1.680 1.00 0.00 N |
| HETATM 9 C6 UNL 1 -8.085 1.768 1.594 1.00 0.00 C |
| HETATM 10 N3 UNL 1 -9.024 0.930 1.109 1.00 0.00 N |
| HETATM 11 C7 UNL 1 -8.741 -0.312 0.701 1.00 0.00 C |
| HETATM 12 N4 UNL 1 -9.764 -1.154 0.199 1.00 0.00 N |
| HETATM 13 C8 UNL 1 -7.434 -0.742 0.785 1.00 0.00 C |
| HETATM 14 N5 UNL 1 -6.827 -1.889 0.472 1.00 0.00 N |
| HETATM 15 C9 UNL 1 -5.499 -1.796 0.754 1.00 0.00 C |
| HETATM 16 C10 UNL 1 -2.794 0.189 -0.421 1.00 0.00 C |
| HETATM 17 C11 UNL 1 -2.000 1.307 -1.070 1.00 0.00 C |
| HETATM 18 C12 UNL 1 -0.761 0.798 -1.746 1.00 0.00 C |
| HETATM 19 S1 UNL 1 0.296 -0.032 -0.535 1.00 0.00 S |
| HETATM 20 C13 UNL 1 1.812 -0.663 -1.305 1.00 0.00 C |
| HETATM 21 C14 UNL 1 2.694 0.440 -1.790 1.00 0.00 C |
| HETATM 22 C15 UNL 1 3.975 0.007 -2.428 1.00 0.00 C |
| HETATM 23 C16 UNL 1 4.920 -0.678 -1.544 1.00 0.00 C |
| HETATM 24 N6 UNL 1 6.098 -1.181 -1.977 1.00 0.00 N |
| HETATM 25 N7 UNL 1 6.759 -1.704 -0.963 1.00 0.00 N |
| HETATM 26 N8 UNL 1 6.065 -1.568 0.137 1.00 0.00 N |
| HETATM 27 C17 UNL 1 4.904 -0.926 -0.200 1.00 0.00 C |
| HETATM 28 C18 UNL 1 6.407 -1.997 1.487 1.00 0.00 C |
| HETATM 29 C19 UNL 1 7.148 -0.881 2.177 1.00 0.00 C |
| HETATM 30 C20 UNL 1 9.197 0.531 2.021 1.00 0.00 C |
| HETATM 31 C21 UNL 1 8.415 -0.584 1.371 1.00 0.00 C |
| HETATM 32 H1 UNL 1 -2.601 3.596 -1.192 1.00 0.00 H |
| HETATM 33 H2 UNL 1 -0.636 2.525 0.147 1.00 0.00 H |
| HETATM 34 H3 UNL 1 -1.402 0.826 1.520 1.00 0.00 H |
| HETATM 35 H4 UNL 1 -2.446 2.238 2.094 1.00 0.00 H |
| HETATM 36 H5 UNL 1 -4.042 1.602 0.426 1.00 0.00 H |
| HETATM 37 H6 UNL 1 -3.232 -0.865 1.910 1.00 0.00 H |
| HETATM 38 H7 UNL 1 -4.073 0.521 2.647 1.00 0.00 H |
| HETATM 39 H8 UNL 1 -8.402 2.769 1.906 1.00 0.00 H |
| HETATM 40 H9 UNL 1 -10.722 -1.142 0.596 1.00 0.00 H |
| HETATM 41 H10 UNL 1 -9.546 -1.792 -0.579 1.00 0.00 H |
| HETATM 42 H11 UNL 1 -7.321 -2.737 0.066 1.00 0.00 H |
| HETATM 43 H12 UNL 1 -4.743 -2.552 0.614 1.00 0.00 H |
| HETATM 44 H13 UNL 1 -2.118 -0.604 -0.049 1.00 0.00 H |
| HETATM 45 H14 UNL 1 -3.622 -0.171 -1.035 1.00 0.00 H |
| HETATM 46 H15 UNL 1 -2.659 1.726 -1.862 1.00 0.00 H |
| HETATM 47 H16 UNL 1 -1.105 0.012 -2.476 1.00 0.00 H |
| HETATM 48 H17 UNL 1 -0.244 1.555 -2.341 1.00 0.00 H |
| HETATM 49 H18 UNL 1 1.554 -1.337 -2.171 1.00 0.00 H |
| HETATM 50 H19 UNL 1 2.329 -1.299 -0.590 1.00 0.00 H |
| HETATM 51 H20 UNL 1 2.170 1.129 -2.496 1.00 0.00 H |
| HETATM 52 H21 UNL 1 2.994 1.125 -0.940 1.00 0.00 H |
| HETATM 53 H22 UNL 1 3.781 -0.593 -3.356 1.00 0.00 H |
| HETATM 54 H23 UNL 1 4.473 0.958 -2.793 1.00 0.00 H |
| HETATM 55 H24 UNL 1 4.165 -0.680 0.540 1.00 0.00 H |
| HETATM 56 H25 UNL 1 7.039 -2.891 1.401 1.00 0.00 H |
| HETATM 57 H26 UNL 1 5.468 -2.224 2.048 1.00 0.00 H |
| HETATM 58 H27 UNL 1 7.446 -1.230 3.186 1.00 0.00 H |
| HETATM 59 H28 UNL 1 6.531 0.010 2.297 1.00 0.00 H |
| HETATM 60 H29 UNL 1 8.868 0.704 3.067 1.00 0.00 H |
| HETATM 61 H30 UNL 1 9.089 1.458 1.447 1.00 0.00 H |
| HETATM 62 H31 UNL 1 10.267 0.251 2.012 1.00 0.00 H |
| HETATM 63 H32 UNL 1 8.158 -0.287 0.343 1.00 0.00 H |
| HETATM 64 H33 UNL 1 9.028 -1.503 1.331 1.00 0.00 H |
| CONECT 1 2 32 |
| CONECT 2 3 17 33 |
| CONECT 3 4 34 35 |
| CONECT 4 5 16 36 |
| CONECT 5 6 37 38 |
| CONECT 6 7 15 15 |
| CONECT 7 8 8 13 |
| CONECT 8 9 |
| CONECT 9 10 10 39 |
| CONECT 10 11 |
| CONECT 11 12 13 13 |
| CONECT 12 40 41 |
| CONECT 13 14 |
| CONECT 14 15 42 |
| CONECT 15 43 |
| CONECT 16 17 44 45 |
| CONECT 17 18 46 |
| CONECT 18 19 47 48 |
| CONECT 19 20 |
| CONECT 20 21 49 50 |
| CONECT 21 22 51 52 |
| CONECT 22 23 53 54 |
| CONECT 23 24 27 27 |
| CONECT 24 25 25 |
| CONECT 25 26 |
| CONECT 26 27 28 |
| CONECT 27 55 |
| CONECT 28 29 56 57 |
| CONECT 29 31 58 59 |
| CONECT 30 31 60 61 62 |
| CONECT 31 63 64 |
| END |
|
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