HEADER Ideal coordinates for PDB-CCD P33 COMPND P33 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O22 P33 A 1 0.019 -0.709 8.993 1.00 20.00 O HETATM 2 C21 P33 A 1 -1.203 -0.618 8.259 1.00 20.00 C HETATM 3 C20 P33 A 1 -1.156 0.604 7.340 1.00 20.00 C HETATM 4 O19 P33 A 1 -0.063 0.473 6.429 1.00 20.00 O HETATM 5 C18 P33 A 1 -0.072 1.638 5.602 1.00 20.00 C HETATM 6 C17 P33 A 1 1.079 1.561 4.598 1.00 20.00 C HETATM 7 O16 P33 A 1 0.924 0.398 3.783 1.00 20.00 O HETATM 8 C15 P33 A 1 2.024 0.382 2.872 1.00 20.00 C HETATM 9 C14 P33 A 1 1.918 -0.845 1.965 1.00 20.00 C HETATM 10 O13 P33 A 1 0.692 -0.790 1.232 1.00 20.00 O HETATM 11 C12 P33 A 1 0.652 -1.957 0.408 1.00 20.00 C HETATM 12 C11 P33 A 1 -0.641 -1.961 -0.408 1.00 20.00 C HETATM 13 O10 P33 A 1 -0.688 -0.794 -1.232 1.00 20.00 O HETATM 14 C9 P33 A 1 -1.913 -0.855 -1.965 1.00 20.00 C HETATM 15 C8 P33 A 1 -2.026 0.371 -2.872 1.00 20.00 C HETATM 16 O7 P33 A 1 -0.926 0.393 -3.783 1.00 20.00 O HETATM 17 C6 P33 A 1 -1.087 1.555 -4.598 1.00 20.00 C HETATM 18 C5 P33 A 1 0.064 1.639 -5.602 1.00 20.00 C HETATM 19 O4 P33 A 1 0.060 0.473 -6.429 1.00 20.00 O HETATM 20 C3 P33 A 1 1.153 0.610 -7.340 1.00 20.00 C HETATM 21 C2 P33 A 1 1.206 -0.611 -8.259 1.00 20.00 C HETATM 22 O1 P33 A 1 -0.016 -0.709 -8.993 1.00 20.00 O HETATM 23 H22 P33 A 1 -0.051 -1.491 9.558 1.00 20.00 H HETATM 24 H211 P33 A 1 -2.037 -0.518 8.954 1.00 20.00 H HETATM 25 H212 P33 A 1 -1.335 -1.518 7.660 1.00 20.00 H HETATM 26 H201 P33 A 1 -1.023 1.504 7.939 1.00 20.00 H HETATM 27 H202 P33 A 1 -2.089 0.673 6.780 1.00 20.00 H HETATM 28 H181 P33 A 1 0.045 2.526 6.224 1.00 20.00 H HETATM 29 H182 P33 A 1 -1.019 1.695 5.065 1.00 20.00 H HETATM 30 H171 P33 A 1 2.026 1.504 5.136 1.00 20.00 H HETATM 31 H172 P33 A 1 1.072 2.450 3.968 1.00 20.00 H HETATM 32 H151 P33 A 1 2.959 0.340 3.431 1.00 20.00 H HETATM 33 H152 P33 A 1 2.005 1.286 2.263 1.00 20.00 H HETATM 34 H141 P33 A 1 1.937 -1.749 2.573 1.00 20.00 H HETATM 35 H142 P33 A 1 2.757 -0.857 1.270 1.00 20.00 H HETATM 36 H121 P33 A 1 0.687 -2.847 1.036 1.00 20.00 H HETATM 37 H122 P33 A 1 1.507 -1.955 -0.267 1.00 20.00 H HETATM 38 H111 P33 A 1 -1.497 -1.963 0.267 1.00 20.00 H HETATM 39 H112 P33 A 1 -0.672 -2.851 -1.036 1.00 20.00 H HETATM 40 H91 P33 A 1 -2.752 -0.871 -1.270 1.00 20.00 H HETATM 41 H92 P33 A 1 -1.928 -1.759 -2.573 1.00 20.00 H HETATM 42 H81 P33 A 1 -2.011 1.276 -2.263 1.00 20.00 H HETATM 43 H82 P33 A 1 -2.960 0.325 -3.431 1.00 20.00 H HETATM 44 H61 P33 A 1 -1.085 2.444 -3.968 1.00 20.00 H HETATM 45 H62 P33 A 1 -2.034 1.494 -5.136 1.00 20.00 H HETATM 46 H51 P33 A 1 1.010 1.700 -5.065 1.00 20.00 H HETATM 47 H52 P33 A 1 -0.059 2.525 -6.224 1.00 20.00 H HETATM 48 H31 P33 A 1 2.085 0.684 -6.780 1.00 20.00 H HETATM 49 H32 P33 A 1 1.015 1.510 -7.939 1.00 20.00 H HETATM 50 H21 P33 A 1 1.343 -1.511 -7.660 1.00 20.00 H HETATM 51 H22A P33 A 1 2.039 -0.507 -8.954 1.00 20.00 H HETATM 52 HO1 P33 A 1 0.059 -1.490 -9.558 1.00 20.00 H CONECT 1 2 23 CONECT 2 3 24 25 CONECT 3 4 26 27 CONECT 4 5 CONECT 5 6 28 29 CONECT 6 7 30 31 CONECT 7 8 CONECT 8 9 32 33 CONECT 9 10 34 35 CONECT 10 11 CONECT 11 12 36 37 CONECT 12 13 38 39 CONECT 13 14 CONECT 14 15 40 41 CONECT 15 16 42 43 CONECT 16 17 CONECT 17 18 44 45 CONECT 18 19 46 47 CONECT 19 20 CONECT 20 21 48 49 CONECT 21 22 50 51 CONECT 22 52 END