HEADER Model coordinates for PDB-CCD 8KM COMPND 8KM AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 CAH 8KM A 1 81.771 8.351 19.897 1.00 20.00 C HETATM 2 CAI 8KM A 1 80.284 8.538 20.129 1.00 20.00 C HETATM 3 CAG 8KM A 1 81.285 9.135 21.108 1.00 20.00 C HETATM 4 CAA 8KM A 1 81.437 10.538 21.089 1.00 20.00 C HETATM 5 CAB 8KM A 1 81.374 11.324 19.926 1.00 20.00 C HETATM 6 CAF 8KM A 1 81.669 11.143 22.323 1.00 20.00 C HETATM 7 CAJ 8KM A 1 81.733 10.348 23.483 1.00 20.00 C HETATM 8 NAK 8KM A 1 81.782 9.712 24.408 1.00 20.00 N HETATM 9 CAE 8KM A 1 81.831 12.520 22.425 1.00 20.00 C HETATM 10 CAD 8KM A 1 81.768 13.284 21.266 1.00 20.00 C HETATM 11 CAC 8KM A 1 81.552 12.713 20.012 1.00 20.00 C HETATM 12 NAL 8KM A 1 81.491 13.572 18.966 1.00 20.00 N HETATM 13 SAM 8KM A 1 82.258 13.304 17.484 1.00 20.00 S HETATM 14 OAW 8KM A 1 81.670 14.235 16.431 1.00 20.00 O HETATM 15 OAV 8KM A 1 82.060 11.860 17.054 1.00 20.00 O HETATM 16 CAN 8KM A 1 84.059 13.631 17.630 1.00 20.00 C HETATM 17 CAO 8KM A 1 84.647 12.724 18.517 1.00 20.00 C HETATM 18 CAT 8KM A 1 85.144 11.513 18.050 1.00 20.00 C HETATM 19 CAS 8KM A 1 85.734 10.614 18.928 1.00 20.00 C HETATM 20 CAR 8KM A 1 85.848 10.905 20.279 1.00 20.00 C HETATM 21 CAU 8KM A 1 86.445 9.979 21.142 1.00 20.00 C HETATM 22 CAQ 8KM A 1 85.355 12.119 20.751 1.00 20.00 C HETATM 23 CAP 8KM A 1 84.772 13.024 19.870 1.00 20.00 C HETATM 24 H1 8KM A 1 82.228 7.359 20.031 1.00 20.00 H HETATM 25 H2 8KM A 1 82.268 8.874 19.067 1.00 20.00 H HETATM 26 H3 8KM A 1 79.703 9.197 19.467 1.00 20.00 H HETATM 27 H4 8KM A 1 79.663 7.682 20.431 1.00 20.00 H HETATM 28 H5 8KM A 1 81.371 8.620 22.076 1.00 20.00 H HETATM 29 H6 8KM A 1 81.189 10.860 18.968 1.00 20.00 H HETATM 30 H7 8KM A 1 82.002 12.986 23.384 1.00 20.00 H HETATM 31 H8 8KM A 1 81.890 14.355 21.339 1.00 20.00 H HETATM 32 H9 8KM A 1 81.852 14.441 19.306 1.00 20.00 H HETATM 33 H10 8KM A 1 84.528 13.527 16.640 1.00 20.00 H HETATM 34 H11 8KM A 1 84.213 14.654 18.003 1.00 20.00 H HETATM 35 H12 8KM A 1 85.071 11.270 17.000 1.00 20.00 H HETATM 36 H13 8KM A 1 86.110 9.674 18.553 1.00 20.00 H HETATM 37 H14 8KM A 1 87.526 10.174 21.199 1.00 20.00 H HETATM 38 H15 8KM A 1 86.002 10.074 22.144 1.00 20.00 H HETATM 39 H16 8KM A 1 86.276 8.961 20.761 1.00 20.00 H HETATM 40 H17 8KM A 1 85.425 12.358 21.802 1.00 20.00 H HETATM 41 H18 8KM A 1 84.412 13.972 20.241 1.00 20.00 H CONECT 1 2 3 24 25 CONECT 2 3 26 27 CONECT 3 4 28 CONECT 4 5 6 6 CONECT 5 11 11 29 CONECT 6 9 7 CONECT 7 8 8 8 CONECT 9 10 10 30 CONECT 10 11 31 CONECT 11 12 CONECT 12 13 32 CONECT 13 14 14 15 15 16 CONECT 16 17 33 34 CONECT 17 18 18 23 CONECT 18 19 35 CONECT 19 20 20 36 CONECT 20 22 21 CONECT 21 37 38 39 CONECT 22 23 23 40 CONECT 23 41 END