| COMPND 6cjs_ligand | |
| HETATM 1 C1 UNL 1 4.601 -2.418 -0.338 1.00 0.00 C | |
| HETATM 2 C2 UNL 1 5.785 -3.165 0.213 1.00 0.00 C | |
| HETATM 3 O1 UNL 1 6.715 -2.368 0.839 1.00 0.00 O | |
| HETATM 4 C3 UNL 1 6.307 -1.045 0.993 1.00 0.00 C | |
| HETATM 5 C4 UNL 1 4.923 -1.117 1.651 1.00 0.00 C | |
| HETATM 6 N1 UNL 1 4.009 -1.497 0.592 1.00 0.00 N1+ | |
| HETATM 7 C5 UNL 1 2.734 -1.938 1.109 1.00 0.00 C | |
| HETATM 8 C6 UNL 1 1.656 -0.945 0.839 1.00 0.00 C | |
| HETATM 9 C7 UNL 1 0.935 -1.038 -0.332 1.00 0.00 C | |
| HETATM 10 C8 UNL 1 -0.070 -0.131 -0.607 1.00 0.00 C | |
| HETATM 11 C9 UNL 1 1.335 0.075 1.709 1.00 0.00 C | |
| HETATM 12 C10 UNL 1 0.333 0.986 1.445 1.00 0.00 C | |
| HETATM 13 C11 UNL 1 -0.400 0.902 0.268 1.00 0.00 C | |
| HETATM 14 C12 UNL 1 -1.467 1.838 -0.041 1.00 0.00 C | |
| HETATM 15 C13 UNL 1 -1.246 3.151 -0.473 1.00 0.00 C | |
| HETATM 16 C14 UNL 1 0.070 3.745 -0.656 1.00 0.00 C | |
| HETATM 17 O2 UNL 1 1.118 3.127 -0.434 1.00 0.00 O | |
| HETATM 18 N2 UNL 1 0.157 5.092 -1.108 1.00 0.00 N | |
| HETATM 19 C15 UNL 1 1.437 5.753 -1.314 1.00 0.00 C | |
| HETATM 20 C16 UNL 1 1.204 7.168 -1.800 1.00 0.00 C | |
| HETATM 21 N3 UNL 1 -2.467 3.667 -0.654 1.00 0.00 N | |
| HETATM 22 O3 UNL 1 -3.383 2.778 -0.368 1.00 0.00 O | |
| HETATM 23 C17 UNL 1 -2.822 1.642 0.012 1.00 0.00 C | |
| HETATM 24 C18 UNL 1 -3.478 0.406 0.416 1.00 0.00 C | |
| HETATM 25 C19 UNL 1 -3.419 -0.780 -0.239 1.00 0.00 C | |
| HETATM 26 C20 UNL 1 -4.076 -1.925 0.212 1.00 0.00 C | |
| HETATM 27 C21 UNL 1 -3.989 -3.213 -0.534 1.00 0.00 C | |
| HETATM 28 C22 UNL 1 -5.074 -3.289 -1.595 1.00 0.00 C | |
| HETATM 29 C23 UNL 1 -2.604 -3.339 -1.100 1.00 0.00 C | |
| HETATM 30 C24 UNL 1 -4.816 -1.828 1.380 1.00 0.00 C | |
| HETATM 31 O4 UNL 1 -5.470 -2.973 1.827 1.00 0.00 O | |
| HETATM 32 C25 UNL 1 -4.909 -0.651 2.081 1.00 0.00 C | |
| HETATM 33 C26 UNL 1 -4.243 0.439 1.590 1.00 0.00 C | |
| HETATM 34 O5 UNL 1 -4.347 1.633 2.316 1.00 0.00 O | |
| HETATM 35 H1 UNL 1 4.930 -1.927 -1.276 1.00 0.00 H | |
| HETATM 36 H2 UNL 1 3.826 -3.185 -0.591 1.00 0.00 H | |
| HETATM 37 H3 UNL 1 6.313 -3.623 -0.675 1.00 0.00 H | |
| HETATM 38 H4 UNL 1 5.472 -4.053 0.829 1.00 0.00 H | |
| HETATM 39 H5 UNL 1 7.038 -0.539 1.643 1.00 0.00 H | |
| HETATM 40 H6 UNL 1 6.232 -0.601 -0.018 1.00 0.00 H | |
| HETATM 41 H7 UNL 1 4.973 -1.930 2.406 1.00 0.00 H | |
| HETATM 42 H8 UNL 1 4.640 -0.138 2.088 1.00 0.00 H | |
| HETATM 43 H9 UNL 1 3.824 -0.604 0.042 1.00 0.00 H | |
| HETATM 44 H10 UNL 1 2.838 -2.087 2.189 1.00 0.00 H | |
| HETATM 45 H11 UNL 1 2.418 -2.913 0.681 1.00 0.00 H | |
| HETATM 46 H12 UNL 1 1.172 -1.844 -1.044 1.00 0.00 H | |
| HETATM 47 H13 UNL 1 -0.586 -0.266 -1.548 1.00 0.00 H | |
| HETATM 48 H14 UNL 1 1.893 0.175 2.653 1.00 0.00 H | |
| HETATM 49 H15 UNL 1 0.070 1.797 2.125 1.00 0.00 H | |
| HETATM 50 H16 UNL 1 -0.723 5.627 -1.300 1.00 0.00 H | |
| HETATM 51 H17 UNL 1 1.945 5.876 -0.312 1.00 0.00 H | |
| HETATM 52 H18 UNL 1 2.067 5.197 -2.014 1.00 0.00 H | |
| HETATM 53 H19 UNL 1 0.524 7.064 -2.697 1.00 0.00 H | |
| HETATM 54 H20 UNL 1 0.591 7.716 -1.055 1.00 0.00 H | |
| HETATM 55 H21 UNL 1 2.133 7.686 -2.057 1.00 0.00 H | |
| HETATM 56 H22 UNL 1 -2.848 -0.844 -1.141 1.00 0.00 H | |
| HETATM 57 H23 UNL 1 -4.117 -4.015 0.227 1.00 0.00 H | |
| HETATM 58 H24 UNL 1 -4.967 -4.290 -2.082 1.00 0.00 H | |
| HETATM 59 H25 UNL 1 -5.004 -2.464 -2.313 1.00 0.00 H | |
| HETATM 60 H26 UNL 1 -6.052 -3.208 -1.081 1.00 0.00 H | |
| HETATM 61 H27 UNL 1 -1.898 -3.063 -0.291 1.00 0.00 H | |
| HETATM 62 H28 UNL 1 -2.426 -2.731 -1.991 1.00 0.00 H | |
| HETATM 63 H29 UNL 1 -2.426 -4.436 -1.294 1.00 0.00 H | |
| HETATM 64 H30 UNL 1 -6.385 -2.872 2.233 1.00 0.00 H | |
| HETATM 65 H31 UNL 1 -5.500 -0.591 3.004 1.00 0.00 H | |
| HETATM 66 H32 UNL 1 -5.011 2.345 2.049 1.00 0.00 H | |
| CONECT 1 2 6 35 36 | |
| CONECT 2 3 37 38 | |
| CONECT 3 4 | |
| CONECT 4 5 39 40 | |
| CONECT 5 6 41 42 | |
| CONECT 6 7 43 | |
| CONECT 7 8 44 45 | |
| CONECT 8 9 9 11 | |
| CONECT 9 10 46 | |
| CONECT 10 13 13 47 | |
| CONECT 11 12 12 48 | |
| CONECT 12 13 49 | |
| CONECT 13 14 | |
| CONECT 14 15 23 23 | |
| CONECT 15 16 21 21 | |
| CONECT 16 17 17 18 | |
| CONECT 18 19 50 | |
| CONECT 19 20 51 52 | |
| CONECT 20 53 54 55 | |
| CONECT 21 22 | |
| CONECT 22 23 | |
| CONECT 23 24 | |
| CONECT 24 25 25 33 | |
| CONECT 25 26 56 | |
| CONECT 26 27 30 30 | |
| CONECT 27 28 29 57 | |
| CONECT 28 58 59 60 | |
| CONECT 29 61 62 63 | |
| CONECT 30 31 32 | |
| CONECT 31 64 | |
| CONECT 32 33 33 65 | |
| CONECT 33 34 | |
| CONECT 34 66 | |
| END | |