HEADER Model coordinates for PDB-CCD A2V COMPND A2V AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 A2V A 1 -18.637 -13.335 10.748 1.00 20.00 C HETATM 2 C2 A2V A 1 -18.230 -12.158 11.406 1.00 20.00 C HETATM 3 C3 A2V A 1 -19.993 -13.609 10.567 1.00 20.00 C HETATM 4 C4 A2V A 1 -17.561 -14.284 10.183 1.00 20.00 C HETATM 5 C5 A2V A 1 -19.185 -11.276 11.911 1.00 20.00 C HETATM 6 C6 A2V A 1 -20.533 -11.561 11.741 1.00 20.00 C HETATM 7 C7 A2V A 1 -20.931 -12.712 11.077 1.00 20.00 C HETATM 8 C8 A2V A 1 -18.627 -12.481 17.575 1.00 20.00 C HETATM 9 C9 A2V A 1 -18.956 -13.988 17.651 1.00 20.00 C HETATM 10 C10 A2V A 1 -19.145 -15.995 13.027 1.00 20.00 C HETATM 11 C11 A2V A 1 -18.161 -15.892 14.006 1.00 20.00 C HETATM 12 C12 A2V A 1 -20.453 -15.584 13.309 1.00 20.00 C HETATM 13 C13 A2V A 1 -20.777 -15.059 14.554 1.00 20.00 C HETATM 14 C14 A2V A 1 -19.796 -14.924 15.542 1.00 20.00 C HETATM 15 C15 A2V A 1 -22.217 -14.595 14.834 1.00 20.00 C HETATM 16 C16 A2V A 1 -18.480 -15.359 15.258 1.00 20.00 C HETATM 17 C17 A2V A 1 -21.588 -10.585 12.297 1.00 20.00 C HETATM 18 C18 A2V A 1 -22.110 -13.230 15.529 1.00 20.00 C HETATM 19 C19 A2V A 1 -21.283 -13.389 16.816 1.00 20.00 C HETATM 20 C20 A2V A 1 -17.802 -12.112 18.832 1.00 20.00 C HETATM 21 F1 A2V A 1 -18.823 -10.155 12.559 1.00 20.00 F HETATM 22 F2 A2V A 1 -22.232 -12.953 10.932 1.00 20.00 F HETATM 23 N1 A2V A 1 -20.163 -14.380 16.874 1.00 20.00 N HETATM 24 N2 A2V A 1 -18.900 -16.561 11.687 1.00 20.00 N HETATM 25 O1 A2V A 1 -16.332 -16.194 11.544 1.00 20.00 O HETATM 26 O2 A2V A 1 -21.607 -12.715 17.794 1.00 20.00 O HETATM 27 O3 A2V A 1 -17.451 -16.857 9.605 1.00 20.00 O HETATM 28 S A2V A 1 -17.522 -16.013 10.765 1.00 20.00 S HETATM 29 H1 A2V A 1 -17.179 -11.939 11.519 1.00 20.00 H HETATM 30 H2 A2V A 1 -20.310 -14.498 10.042 1.00 20.00 H HETATM 31 H3 A2V A 1 -17.696 -14.313 9.092 1.00 20.00 H HETATM 32 H4 A2V A 1 -16.582 -13.841 10.420 1.00 20.00 H HETATM 33 H5 A2V A 1 -18.041 -12.271 16.668 1.00 20.00 H HETATM 34 H6 A2V A 1 -19.558 -11.895 17.553 1.00 20.00 H HETATM 35 H7 A2V A 1 -19.121 -14.254 18.706 1.00 20.00 H HETATM 36 H8 A2V A 1 -18.095 -14.551 17.261 1.00 20.00 H HETATM 37 H9 A2V A 1 -17.154 -16.223 13.799 1.00 20.00 H HETATM 38 H10 A2V A 1 -21.218 -15.676 12.552 1.00 20.00 H HETATM 39 H11 A2V A 1 -22.775 -14.498 13.891 1.00 20.00 H HETATM 40 H12 A2V A 1 -22.727 -15.316 15.490 1.00 20.00 H HETATM 41 H13 A2V A 1 -17.715 -15.278 16.016 1.00 20.00 H HETATM 42 H14 A2V A 1 -21.844 -10.869 13.328 1.00 20.00 H HETATM 43 H15 A2V A 1 -21.182 -9.563 12.288 1.00 20.00 H HETATM 44 H16 A2V A 1 -22.491 -10.626 11.671 1.00 20.00 H HETATM 45 H17 A2V A 1 -21.615 -12.512 14.858 1.00 20.00 H HETATM 46 H18 A2V A 1 -23.116 -12.864 15.780 1.00 20.00 H HETATM 47 H19 A2V A 1 -17.552 -11.041 18.806 1.00 20.00 H HETATM 48 H20 A2V A 1 -18.392 -12.329 19.735 1.00 20.00 H HETATM 49 H21 A2V A 1 -16.875 -12.704 18.849 1.00 20.00 H HETATM 50 H22 A2V A 1 -19.713 -16.370 11.137 1.00 20.00 H CONECT 1 4 3 2 2 CONECT 2 5 29 CONECT 3 7 7 30 CONECT 4 28 31 32 CONECT 5 6 6 21 CONECT 6 7 17 CONECT 7 22 CONECT 8 9 20 33 34 CONECT 9 23 35 36 CONECT 10 24 12 11 11 CONECT 11 16 37 CONECT 12 13 13 38 CONECT 13 15 14 CONECT 14 16 16 23 CONECT 15 18 39 40 CONECT 16 41 CONECT 17 42 43 44 CONECT 18 19 45 46 CONECT 19 23 26 26 CONECT 20 47 48 49 CONECT 24 28 50 CONECT 25 28 28 CONECT 27 28 28 END