HEADER Ideal coordinates for PDB-CCD HZ0 COMPND HZ0 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C10 HZ0 A 1 -5.201 -1.280 -1.224 1.00 20.00 C HETATM 2 C15 HZ0 A 1 -6.160 1.149 -0.287 1.00 20.00 C HETATM 3 C17 HZ0 A 1 -4.905 0.694 0.109 1.00 20.00 C HETATM 4 C20 HZ0 A 1 -4.535 2.836 1.290 1.00 20.00 C HETATM 5 C21 HZ0 A 1 -3.031 0.951 1.579 1.00 20.00 C HETATM 6 C24 HZ0 A 1 -0.887 1.872 2.418 1.00 20.00 C HETATM 7 C26 HZ0 A 1 0.266 2.248 0.367 1.00 20.00 C HETATM 8 C28 HZ0 A 1 0.649 1.877 -1.043 1.00 20.00 C HETATM 9 C01 HZ0 A 1 1.346 -5.938 -1.994 1.00 20.00 C HETATM 10 O02 HZ0 A 1 1.443 -4.551 -1.664 1.00 20.00 O HETATM 11 C03 HZ0 A 1 1.168 -4.259 -0.292 1.00 20.00 C HETATM 12 C04 HZ0 A 1 -0.305 -4.009 -0.128 1.00 20.00 C HETATM 13 C05 HZ0 A 1 -1.013 -3.445 -1.101 1.00 20.00 C HETATM 14 C06 HZ0 A 1 -2.484 -3.410 -1.017 1.00 20.00 C HETATM 15 C07 HZ0 A 1 -3.189 -2.600 -1.802 1.00 20.00 C HETATM 16 C08 HZ0 A 1 -2.474 -1.673 -2.753 1.00 20.00 C HETATM 17 C09 HZ0 A 1 -4.692 -2.602 -1.730 1.00 20.00 C HETATM 18 C11 HZ0 A 1 -6.452 -0.832 -1.611 1.00 20.00 C HETATM 19 C12 HZ0 A 1 -6.931 0.382 -1.145 1.00 20.00 C HETATM 20 O13 HZ0 A 1 -8.159 0.822 -1.531 1.00 20.00 O HETATM 21 C14 HZ0 A 1 -8.899 -0.020 -2.418 1.00 20.00 C HETATM 22 CL1 HZ0 A 1 -6.758 2.672 0.294 1.00 20.00 CL HETATM 23 C18 HZ0 A 1 -4.429 -0.518 -0.369 1.00 20.00 C HETATM 24 N19 HZ0 A 1 -4.134 1.458 0.994 1.00 20.00 N HETATM 25 O22 HZ0 A 1 -2.567 -0.101 1.194 1.00 20.00 O HETATM 26 C23 HZ0 A 1 -2.376 1.696 2.716 1.00 20.00 C HETATM 27 O25 HZ0 A 1 -0.622 1.500 1.040 1.00 20.00 O HETATM 28 O27 HZ0 A 1 0.760 3.218 0.891 1.00 20.00 O HETATM 29 C29 HZ0 A 1 -0.438 2.352 -2.009 1.00 20.00 C HETATM 30 N30 HZ0 A 1 1.922 2.515 -1.387 1.00 20.00 N HETATM 31 C31 HZ0 A 1 2.040 3.975 -1.361 1.00 20.00 C HETATM 32 C32 HZ0 A 1 2.984 1.759 -1.728 1.00 20.00 C HETATM 33 O33 HZ0 A 1 2.886 0.550 -1.750 1.00 20.00 O HETATM 34 C34 HZ0 A 1 4.294 2.415 -2.083 1.00 20.00 C HETATM 35 C35 HZ0 A 1 5.326 1.340 -2.428 1.00 20.00 C HETATM 36 S36 HZ0 A 1 6.902 2.130 -2.855 1.00 20.00 S HETATM 37 S37 HZ0 A 1 7.549 2.871 -1.056 1.00 20.00 S HETATM 38 C38 HZ0 A 1 8.395 1.451 -0.310 1.00 20.00 C HETATM 39 C39 HZ0 A 1 -0.067 0.982 3.352 1.00 20.00 C HETATM 40 C40 HZ0 A 1 -0.870 -0.038 4.167 1.00 20.00 C HETATM 41 O41 HZ0 A 1 1.118 1.523 3.940 1.00 20.00 O HETATM 42 C42 HZ0 A 1 1.333 0.577 2.890 1.00 20.00 C HETATM 43 C43 HZ0 A 1 1.828 -0.820 3.275 1.00 20.00 C HETATM 44 C44 HZ0 A 1 2.904 -0.703 4.357 1.00 20.00 C HETATM 45 C45 HZ0 A 1 2.419 -1.494 2.037 1.00 20.00 C HETATM 46 C46 HZ0 A 1 1.388 -2.418 1.393 1.00 20.00 C HETATM 47 C47 HZ0 A 1 1.988 -3.043 0.134 1.00 20.00 C HETATM 48 O48 HZ0 A 1 1.989 -2.078 -0.923 1.00 20.00 O HETATM 49 N49 HZ0 A 1 3.361 -3.465 0.402 1.00 20.00 N HETATM 50 C50 HZ0 A 1 4.031 -3.156 1.516 1.00 20.00 C HETATM 51 O51 HZ0 A 1 5.084 -3.723 1.732 1.00 20.00 O HETATM 52 O52 HZ0 A 1 3.600 -2.252 2.405 1.00 20.00 O HETATM 53 H1 HZ0 A 1 -3.773 3.312 1.906 1.00 20.00 H HETATM 54 H2 HZ0 A 1 -4.647 3.390 0.357 1.00 20.00 H HETATM 55 H3 HZ0 A 1 -5.484 2.831 1.825 1.00 20.00 H HETATM 56 H4 HZ0 A 1 -0.607 2.914 2.573 1.00 20.00 H HETATM 57 H5 HZ0 A 1 0.753 0.794 -1.118 1.00 20.00 H HETATM 58 H6 HZ0 A 1 1.569 -6.076 -3.052 1.00 20.00 H HETATM 59 H7 HZ0 A 1 2.059 -6.504 -1.395 1.00 20.00 H HETATM 60 H8 HZ0 A 1 0.336 -6.291 -1.786 1.00 20.00 H HETATM 61 H9 HZ0 A 1 1.456 -5.114 0.319 1.00 20.00 H HETATM 62 H10 HZ0 A 1 -0.799 -4.296 0.794 1.00 20.00 H HETATM 63 H12 HZ0 A 1 -0.519 -3.087 -1.994 1.00 20.00 H HETATM 64 H14 HZ0 A 1 -2.997 -4.035 -0.294 1.00 20.00 H HETATM 65 H083 HZ0 A 1 -2.186 -0.763 -2.227 1.00 20.00 H HETATM 66 H081 HZ0 A 1 -1.583 -2.166 -3.141 1.00 20.00 H HETATM 67 H082 HZ0 A 1 -3.137 -1.419 -3.580 1.00 20.00 H HETATM 68 H091 HZ0 A 1 -5.018 -3.394 -1.056 1.00 20.00 H HETATM 69 H17 HZ0 A 1 -5.099 -2.786 -2.724 1.00 20.00 H HETATM 70 H18 HZ0 A 1 -7.057 -1.431 -2.277 1.00 20.00 H HETATM 71 H142 HZ0 A 1 -9.858 0.447 -2.646 1.00 20.00 H HETATM 72 H141 HZ0 A 1 -8.336 -0.161 -3.340 1.00 20.00 H HETATM 73 H19 HZ0 A 1 -9.070 -0.986 -1.944 1.00 20.00 H HETATM 74 H20 HZ0 A 1 -3.452 -0.868 -0.070 1.00 20.00 H HETATM 75 H21 HZ0 A 1 -2.843 2.675 2.825 1.00 20.00 H HETATM 76 H22 HZ0 A 1 -2.498 1.130 3.640 1.00 20.00 H HETATM 77 H23 HZ0 A 1 -1.388 1.888 -1.744 1.00 20.00 H HETATM 78 H24 HZ0 A 1 -0.533 3.436 -1.943 1.00 20.00 H HETATM 79 H25 HZ0 A 1 -0.168 2.072 -3.027 1.00 20.00 H HETATM 80 H313 HZ0 A 1 2.357 4.296 -0.369 1.00 20.00 H HETATM 81 H311 HZ0 A 1 2.777 4.293 -2.099 1.00 20.00 H HETATM 82 H312 HZ0 A 1 1.074 4.422 -1.597 1.00 20.00 H HETATM 83 H26 HZ0 A 1 4.150 3.071 -2.942 1.00 20.00 H HETATM 84 H27 HZ0 A 1 4.648 3.000 -1.234 1.00 20.00 H HETATM 85 H28 HZ0 A 1 5.469 0.684 -1.569 1.00 20.00 H HETATM 86 H29 HZ0 A 1 4.971 0.755 -3.277 1.00 20.00 H HETATM 87 H30 HZ0 A 1 7.691 0.627 -0.196 1.00 20.00 H HETATM 88 H31 HZ0 A 1 9.217 1.138 -0.955 1.00 20.00 H HETATM 89 H32 HZ0 A 1 8.787 1.733 0.667 1.00 20.00 H HETATM 90 H33 HZ0 A 1 -0.202 -0.567 4.846 1.00 20.00 H HETATM 91 H34 HZ0 A 1 -1.637 0.481 4.742 1.00 20.00 H HETATM 92 H35 HZ0 A 1 -1.342 -0.752 3.492 1.00 20.00 H HETATM 93 H36 HZ0 A 1 1.677 0.950 1.925 1.00 20.00 H HETATM 94 H431 HZ0 A 1 0.994 -1.413 3.650 1.00 20.00 H HETATM 95 H442 HZ0 A 1 2.484 -0.212 5.235 1.00 20.00 H HETATM 96 H441 HZ0 A 1 3.255 -1.698 4.629 1.00 20.00 H HETATM 97 H443 HZ0 A 1 3.739 -0.114 3.976 1.00 20.00 H HETATM 98 H37 HZ0 A 1 2.718 -0.723 1.319 1.00 20.00 H HETATM 99 H461 HZ0 A 1 1.115 -3.205 2.096 1.00 20.00 H HETATM 100 H38 HZ0 A 1 0.500 -1.844 1.127 1.00 20.00 H HETATM 101 H39 HZ0 A 1 2.357 -2.406 -1.755 1.00 20.00 H HETATM 102 H40 HZ0 A 1 3.812 -4.001 -0.269 1.00 20.00 H CONECT 1 23 23 18 17 CONECT 2 22 3 3 19 CONECT 3 24 23 CONECT 4 24 53 54 55 CONECT 5 25 25 26 24 CONECT 6 39 26 27 56 CONECT 7 28 28 27 8 CONECT 8 29 30 57 CONECT 9 10 58 59 60 CONECT 10 11 CONECT 11 47 12 61 CONECT 12 13 13 62 CONECT 13 14 63 CONECT 14 15 15 64 CONECT 15 16 17 CONECT 16 65 66 67 CONECT 17 68 69 CONECT 18 19 19 70 CONECT 19 20 CONECT 20 21 CONECT 21 71 72 73 CONECT 23 74 CONECT 26 75 76 CONECT 29 77 78 79 CONECT 30 31 32 CONECT 31 80 81 82 CONECT 32 34 33 33 CONECT 34 35 83 84 CONECT 35 36 85 86 CONECT 36 37 CONECT 37 38 CONECT 38 87 88 89 CONECT 39 41 40 42 CONECT 40 90 91 92 CONECT 41 42 CONECT 42 43 93 CONECT 43 44 45 94 CONECT 44 95 96 97 CONECT 45 52 46 98 CONECT 46 47 99 100 CONECT 47 49 48 CONECT 48 101 CONECT 49 50 102 CONECT 50 52 51 51 END