HEADER Ideal coordinates for PDB-CCD PLM COMPND PLM AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 PLM A 1 0.142 0.001 -8.190 1.00 20.00 C HETATM 2 O1 PLM A 1 -0.449 -0.004 -9.395 1.00 20.00 O HETATM 3 O2 PLM A 1 1.347 0.014 -8.109 1.00 20.00 O HETATM 4 C2 PLM A 1 -0.697 -0.007 -6.939 1.00 20.00 C HETATM 5 C3 PLM A 1 0.215 0.002 -5.711 1.00 20.00 C HETATM 6 C4 PLM A 1 -0.636 -0.007 -4.441 1.00 20.00 C HETATM 7 C5 PLM A 1 0.276 0.003 -3.214 1.00 20.00 C HETATM 8 C6 PLM A 1 -0.576 -0.006 -1.943 1.00 20.00 C HETATM 9 C7 PLM A 1 0.337 0.003 -0.716 1.00 20.00 C HETATM 10 C8 PLM A 1 -0.515 -0.005 0.553 1.00 20.00 C HETATM 11 C9 PLM A 1 0.398 0.004 1.781 1.00 20.00 C HETATM 12 CA PLM A 1 -0.454 -0.005 3.051 1.00 20.00 C HETATM 13 CB PLM A 1 0.459 0.005 4.279 1.00 20.00 C HETATM 14 CC PLM A 1 -0.393 -0.004 5.549 1.00 20.00 C HETATM 15 CD PLM A 1 0.520 0.005 6.776 1.00 20.00 C HETATM 16 CE PLM A 1 -0.332 -0.003 8.047 1.00 20.00 C HETATM 17 CF PLM A 1 0.580 0.006 9.274 1.00 20.00 C HETATM 18 CG PLM A 1 -0.271 -0.003 10.544 1.00 20.00 C HETATM 19 H PLM A 1 0.089 0.001 -10.198 1.00 20.00 H HETATM 20 H21 PLM A 1 -1.317 -0.904 -6.923 1.00 20.00 H HETATM 21 H22 PLM A 1 -1.336 0.875 -6.923 1.00 20.00 H HETATM 22 H31 PLM A 1 0.835 0.899 -5.727 1.00 20.00 H HETATM 23 H32 PLM A 1 0.854 -0.880 -5.727 1.00 20.00 H HETATM 24 H41 PLM A 1 -1.256 -0.903 -4.426 1.00 20.00 H HETATM 25 H42 PLM A 1 -1.275 0.876 -4.426 1.00 20.00 H HETATM 26 H51 PLM A 1 0.896 0.899 -3.229 1.00 20.00 H HETATM 27 H52 PLM A 1 0.915 -0.880 -3.229 1.00 20.00 H HETATM 28 H61 PLM A 1 -1.195 -0.903 -1.928 1.00 20.00 H HETATM 29 H62 PLM A 1 -1.214 0.876 -1.928 1.00 20.00 H HETATM 30 H71 PLM A 1 0.956 0.900 -0.731 1.00 20.00 H HETATM 31 H72 PLM A 1 0.976 -0.879 -0.731 1.00 20.00 H HETATM 32 H81 PLM A 1 -1.134 -0.902 0.569 1.00 20.00 H HETATM 33 H82 PLM A 1 -1.154 0.877 0.569 1.00 20.00 H HETATM 34 H91 PLM A 1 1.017 0.901 1.766 1.00 20.00 H HETATM 35 H92 PLM A 1 1.037 -0.878 1.766 1.00 20.00 H HETATM 36 HA1 PLM A 1 -1.073 -0.901 3.067 1.00 20.00 H HETATM 37 HA2 PLM A 1 -1.093 0.878 3.067 1.00 20.00 H HETATM 38 HB1 PLM A 1 1.078 0.901 4.263 1.00 20.00 H HETATM 39 HB2 PLM A 1 1.098 -0.878 4.263 1.00 20.00 H HETATM 40 HC1 PLM A 1 -1.012 -0.901 5.564 1.00 20.00 H HETATM 41 HC2 PLM A 1 -1.032 0.878 5.564 1.00 20.00 H HETATM 42 HD1 PLM A 1 1.139 0.902 6.761 1.00 20.00 H HETATM 43 HD2 PLM A 1 1.158 -0.877 6.761 1.00 20.00 H HETATM 44 HE1 PLM A 1 -0.952 -0.900 8.062 1.00 20.00 H HETATM 45 HE2 PLM A 1 -0.971 0.879 8.062 1.00 20.00 H HETATM 46 HF1 PLM A 1 1.200 0.903 9.259 1.00 20.00 H HETATM 47 HF2 PLM A 1 1.219 -0.876 9.259 1.00 20.00 H HETATM 48 HG1 PLM A 1 0.379 0.004 11.419 1.00 20.00 H HETATM 49 HG2 PLM A 1 -0.910 0.880 10.560 1.00 20.00 H HETATM 50 HG3 PLM A 1 -0.891 -0.899 10.560 1.00 20.00 H CONECT 1 2 3 3 4 CONECT 2 19 CONECT 4 5 20 21 CONECT 5 6 22 23 CONECT 6 7 24 25 CONECT 7 8 26 27 CONECT 8 9 28 29 CONECT 9 10 30 31 CONECT 10 11 32 33 CONECT 11 12 34 35 CONECT 12 13 36 37 CONECT 13 14 38 39 CONECT 14 15 40 41 CONECT 15 16 42 43 CONECT 16 17 44 45 CONECT 17 18 46 47 CONECT 18 48 49 50 END