HEADER Model coordinates for PDB-CCD A1C COMPND A1C AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A1C A 1 -18.881 -13.040 10.801 1.00 20.00 C HETATM 2 C2 A1C A 1 -18.704 -11.693 11.366 1.00 20.00 C HETATM 3 C3 A1C A 1 -20.120 -13.594 10.596 1.00 20.00 C HETATM 4 C4 A1C A 1 -17.539 -13.803 10.375 1.00 20.00 C HETATM 5 C5 A1C A 1 -19.800 -10.979 11.741 1.00 20.00 C HETATM 6 C6 A1C A 1 -21.021 -11.562 11.557 1.00 20.00 C HETATM 7 C7 A1C A 1 -21.202 -12.808 10.993 1.00 20.00 C HETATM 8 C8 A1C A 1 -18.642 -11.939 17.542 1.00 20.00 C HETATM 9 C9 A1C A 1 -18.902 -13.495 17.462 1.00 20.00 C HETATM 10 C10 A1C A 1 -19.135 -15.611 13.006 1.00 20.00 C HETATM 11 C11 A1C A 1 -18.139 -15.464 13.973 1.00 20.00 C HETATM 12 C12 A1C A 1 -20.488 -15.217 13.316 1.00 20.00 C HETATM 13 C13 A1C A 1 -20.808 -14.686 14.547 1.00 20.00 C HETATM 14 C14 A1C A 1 -19.811 -14.502 15.509 1.00 20.00 C HETATM 15 C15 A1C A 1 -22.243 -14.237 14.843 1.00 20.00 C HETATM 16 C16 A1C A 1 -18.457 -14.915 15.221 1.00 20.00 C HETATM 17 C17 A1C A 1 -22.247 -10.836 11.969 1.00 20.00 C HETATM 18 C18 A1C A 1 -22.163 -12.906 15.515 1.00 20.00 C HETATM 19 C19 A1C A 1 -21.265 -12.965 16.739 1.00 20.00 C HETATM 20 C20 A1C A 1 -17.673 -11.646 18.742 1.00 20.00 C HETATM 21 CL A1C A 1 -19.603 -9.358 12.449 1.00 20.00 CL HETATM 22 N1 A1C A 1 -20.166 -13.957 16.834 1.00 20.00 N HETATM 23 N2 A1C A 1 -18.910 -16.184 11.654 1.00 20.00 N HETATM 24 O1 A1C A 1 -16.332 -16.045 11.320 1.00 20.00 O HETATM 25 O2 A1C A 1 -21.508 -12.230 17.697 1.00 20.00 O HETATM 26 O3 A1C A 1 -17.767 -16.251 9.350 1.00 20.00 O HETATM 27 S A1C A 1 -17.626 -15.619 10.708 1.00 20.00 S HETATM 28 H1 A1C A 1 -17.715 -11.275 11.482 1.00 20.00 H HETATM 29 H2 A1C A 1 -20.249 -14.572 10.157 1.00 20.00 H HETATM 30 H3 A1C A 1 -16.697 -13.380 10.942 1.00 20.00 H HETATM 31 H4 A1C A 1 -17.371 -13.649 9.299 1.00 20.00 H HETATM 32 H5 A1C A 1 -22.205 -13.184 10.856 1.00 20.00 H HETATM 33 H6 A1C A 1 -18.183 -11.593 16.604 1.00 20.00 H HETATM 34 H7 A1C A 1 -19.595 -11.413 17.700 1.00 20.00 H HETATM 35 H8 A1C A 1 -18.887 -13.883 18.491 1.00 20.00 H HETATM 36 H9 A1C A 1 -18.072 -13.937 16.891 1.00 20.00 H HETATM 37 H10 A1C A 1 -17.126 -15.773 13.759 1.00 20.00 H HETATM 38 H11 A1C A 1 -21.261 -15.340 12.572 1.00 20.00 H HETATM 39 H12 A1C A 1 -22.812 -14.151 13.905 1.00 20.00 H HETATM 40 H13 A1C A 1 -22.736 -14.964 15.505 1.00 20.00 H HETATM 41 H14 A1C A 1 -17.688 -14.800 15.970 1.00 20.00 H HETATM 42 H15 A1C A 1 -22.490 -11.088 13.012 1.00 20.00 H HETATM 43 H16 A1C A 1 -22.078 -9.753 11.883 1.00 20.00 H HETATM 44 H17 A1C A 1 -23.083 -11.129 11.317 1.00 20.00 H HETATM 45 H18 A1C A 1 -21.757 -12.169 14.806 1.00 20.00 H HETATM 46 H19 A1C A 1 -23.173 -12.598 15.825 1.00 20.00 H HETATM 47 H20 A1C A 1 -17.485 -10.564 18.807 1.00 20.00 H HETATM 48 H21 A1C A 1 -18.133 -11.995 19.678 1.00 20.00 H HETATM 49 H22 A1C A 1 -16.721 -12.174 18.582 1.00 20.00 H HETATM 50 H23 A1C A 1 -19.747 -16.028 11.130 1.00 20.00 H CONECT 1 4 3 2 2 CONECT 2 5 28 CONECT 3 7 7 29 CONECT 4 27 30 31 CONECT 5 6 6 21 CONECT 6 7 17 CONECT 7 32 CONECT 8 9 20 33 34 CONECT 9 22 35 36 CONECT 10 23 12 11 11 CONECT 11 16 37 CONECT 12 13 13 38 CONECT 13 15 14 CONECT 14 16 16 22 CONECT 15 18 39 40 CONECT 16 41 CONECT 17 42 43 44 CONECT 18 19 45 46 CONECT 19 22 25 25 CONECT 20 47 48 49 CONECT 23 27 50 CONECT 24 27 27 CONECT 26 27 27 END