HEADER Ideal coordinates for PDB-CCD 8KP COMPND 8KP AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 CAT 8KP A 1 5.710 1.354 1.272 1.00 20.00 C HETATM 2 CAS 8KP A 1 4.497 0.655 1.889 1.00 20.00 C HETATM 3 CAO 8KP A 1 3.487 0.359 0.811 1.00 20.00 C HETATM 4 CAK 8KP A 1 2.451 1.234 0.577 1.00 20.00 C HETATM 5 CAN 8KP A 1 3.604 -0.804 0.043 1.00 20.00 C HETATM 6 CAQ 8KP A 1 4.683 -1.715 0.279 1.00 20.00 C HETATM 7 NAR 8KP A 1 5.540 -2.437 0.467 1.00 20.00 N HETATM 8 CAM 8KP A 1 2.664 -1.076 -0.956 1.00 20.00 C HETATM 9 CAP 8KP A 1 2.786 -2.328 -1.786 1.00 20.00 C HETATM 10 CAL 8KP A 1 1.627 -0.198 -1.180 1.00 20.00 C HETATM 11 CAJ 8KP A 1 1.517 0.961 -0.418 1.00 20.00 C HETATM 12 NAI 8KP A 1 0.468 1.845 -0.648 1.00 20.00 N HETATM 13 SAH 8KP A 1 -1.072 1.270 -0.845 1.00 20.00 S HETATM 14 OAU 8KP A 1 -1.854 2.433 -1.080 1.00 20.00 O HETATM 15 OAV 8KP A 1 -0.945 0.261 -1.838 1.00 20.00 O HETATM 16 CAG 8KP A 1 -1.491 0.535 0.759 1.00 20.00 C HETATM 17 CAE 8KP A 1 -2.887 -0.031 0.705 1.00 20.00 C HETATM 18 CAD 8KP A 1 -3.967 0.763 1.041 1.00 20.00 C HETATM 19 CAC 8KP A 1 -5.248 0.246 0.985 1.00 20.00 C HETATM 20 CAB 8KP A 1 -5.448 -1.064 0.594 1.00 20.00 C HETATM 21 CAW 8KP A 1 -6.845 -1.628 0.533 1.00 20.00 C HETATM 22 CAA 8KP A 1 -4.368 -1.858 0.256 1.00 20.00 C HETATM 23 CAF 8KP A 1 -3.087 -1.341 0.312 1.00 20.00 C HETATM 24 H1 8KP A 1 6.441 1.569 2.052 1.00 20.00 H HETATM 25 H2 8KP A 1 6.161 0.705 0.521 1.00 20.00 H HETATM 26 H3 8KP A 1 5.394 2.286 0.804 1.00 20.00 H HETATM 27 H4 8KP A 1 4.814 -0.277 2.357 1.00 20.00 H HETATM 28 H5 8KP A 1 4.047 1.305 2.640 1.00 20.00 H HETATM 29 H6 8KP A 1 2.362 2.134 1.167 1.00 20.00 H HETATM 30 H7 8KP A 1 2.238 -3.138 -1.304 1.00 20.00 H HETATM 31 H8 8KP A 1 2.372 -2.148 -2.778 1.00 20.00 H HETATM 32 H9 8KP A 1 3.837 -2.603 -1.875 1.00 20.00 H HETATM 33 H10 8KP A 1 0.901 -0.407 -1.952 1.00 20.00 H HETATM 34 H11 8KP A 1 0.638 2.799 -0.692 1.00 20.00 H HETATM 35 H12 8KP A 1 -0.784 -0.263 0.989 1.00 20.00 H HETATM 36 H13 8KP A 1 -1.439 1.300 1.534 1.00 20.00 H HETATM 37 H14 8KP A 1 -3.811 1.787 1.347 1.00 20.00 H HETATM 38 H15 8KP A 1 -6.093 0.866 1.249 1.00 20.00 H HETATM 39 H16 8KP A 1 -7.262 -1.459 -0.459 1.00 20.00 H HETATM 40 H17 8KP A 1 -6.814 -2.698 0.737 1.00 20.00 H HETATM 41 H18 8KP A 1 -7.468 -1.134 1.278 1.00 20.00 H HETATM 42 H19 8KP A 1 -4.524 -2.881 -0.051 1.00 20.00 H HETATM 43 H20 8KP A 1 -2.243 -1.960 0.046 1.00 20.00 H CONECT 1 2 24 25 26 CONECT 2 3 27 28 CONECT 3 5 5 4 CONECT 4 11 11 29 CONECT 5 6 8 CONECT 6 7 7 7 CONECT 8 9 10 10 CONECT 9 30 31 32 CONECT 10 11 33 CONECT 11 12 CONECT 12 13 34 CONECT 13 16 14 14 15 15 CONECT 16 17 35 36 CONECT 17 18 23 23 CONECT 18 19 19 37 CONECT 19 20 38 CONECT 20 21 22 22 CONECT 21 39 40 41 CONECT 22 23 42 CONECT 23 43 END