HEADER Model coordinates for PDB-CCD A7S COMPND A7S AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A7S A 1 -18.515 -13.495 10.949 1.00 20.00 C HETATM 2 C2 A7S A 1 -18.249 -12.351 11.718 1.00 20.00 C HETATM 3 C3 A7S A 1 -19.826 -13.816 10.604 1.00 20.00 C HETATM 4 C4 A7S A 1 -17.336 -14.405 10.454 1.00 20.00 C HETATM 5 C5 A7S A 1 -19.288 -11.547 12.146 1.00 20.00 C HETATM 6 C6 A7S A 1 -20.565 -11.882 11.802 1.00 20.00 C HETATM 7 C7 A7S A 1 -20.853 -12.997 11.043 1.00 20.00 C HETATM 8 C8 A7S A 1 -18.546 -12.680 17.675 1.00 20.00 C HETATM 9 C9 A7S A 1 -18.851 -14.234 17.603 1.00 20.00 C HETATM 10 C10 A7S A 1 -19.024 -16.232 13.061 1.00 20.00 C HETATM 11 C11 A7S A 1 -18.041 -16.135 14.046 1.00 20.00 C HETATM 12 C12 A7S A 1 -20.371 -15.813 13.358 1.00 20.00 C HETATM 13 C13 A7S A 1 -20.697 -15.313 14.604 1.00 20.00 C HETATM 14 C14 A7S A 1 -19.721 -15.187 15.598 1.00 20.00 C HETATM 15 C15 A7S A 1 -22.131 -14.849 14.906 1.00 20.00 C HETATM 16 C16 A7S A 1 -18.375 -15.622 15.306 1.00 20.00 C HETATM 17 C17 A7S A 1 -21.652 -11.012 12.264 1.00 20.00 C HETATM 18 C18 A7S A 1 -22.053 -13.533 15.594 1.00 20.00 C HETATM 19 C19 A7S A 1 -21.211 -13.661 16.842 1.00 20.00 C HETATM 20 C20 A7S A 1 -17.586 -12.354 18.876 1.00 20.00 C HETATM 21 F1 A7S A 1 -19.096 -10.446 12.887 1.00 20.00 F HETATM 22 N1 A7S A 1 -20.113 -14.666 16.932 1.00 20.00 N HETATM 23 N2 A7S A 1 -18.735 -16.779 11.712 1.00 20.00 N HETATM 24 O1 A7S A 1 -16.200 -16.722 11.216 1.00 20.00 O HETATM 25 O2 A7S A 1 -21.515 -12.958 17.806 1.00 20.00 O HETATM 26 O3 A7S A 1 -17.758 -16.837 9.344 1.00 20.00 O HETATM 27 S A7S A 1 -17.519 -16.209 10.698 1.00 20.00 S HETATM 28 H1 A7S A 1 -17.231 -12.099 11.975 1.00 20.00 H HETATM 29 H2 A7S A 1 -20.038 -14.689 10.004 1.00 20.00 H HETATM 30 H3 A7S A 1 -16.427 -14.089 10.986 1.00 20.00 H HETATM 31 H4 A7S A 1 -17.210 -14.227 9.376 1.00 20.00 H HETATM 32 H5 A7S A 1 -21.877 -13.231 10.792 1.00 20.00 H HETATM 33 H6 A7S A 1 -18.069 -12.362 16.736 1.00 20.00 H HETATM 34 H7 A7S A 1 -19.491 -12.133 17.810 1.00 20.00 H HETATM 35 H8 A7S A 1 -18.884 -14.610 18.636 1.00 20.00 H HETATM 36 H9 A7S A 1 -18.016 -14.708 17.067 1.00 20.00 H HETATM 37 H10 A7S A 1 -17.030 -16.453 13.839 1.00 20.00 H HETATM 38 H11 A7S A 1 -21.134 -15.891 12.598 1.00 20.00 H HETATM 39 H12 A7S A 1 -22.696 -14.747 13.968 1.00 20.00 H HETATM 40 H13 A7S A 1 -22.631 -15.581 15.557 1.00 20.00 H HETATM 41 H14 A7S A 1 -17.615 -15.551 16.070 1.00 20.00 H HETATM 42 H15 A7S A 1 -22.009 -11.360 13.244 1.00 20.00 H HETATM 43 H16 A7S A 1 -21.282 -9.980 12.354 1.00 20.00 H HETATM 44 H17 A7S A 1 -22.480 -11.043 11.540 1.00 20.00 H HETATM 45 H18 A7S A 1 -21.597 -12.794 14.919 1.00 20.00 H HETATM 46 H19 A7S A 1 -23.066 -13.203 15.868 1.00 20.00 H HETATM 47 H20 A7S A 1 -17.389 -11.272 18.906 1.00 20.00 H HETATM 48 H21 A7S A 1 -18.059 -12.666 19.819 1.00 20.00 H HETATM 49 H22 A7S A 1 -16.638 -12.896 18.745 1.00 20.00 H HETATM 50 H23 A7S A 1 -19.585 -16.683 11.194 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