HEADER Ideal coordinates for PDB-CCD 8KM COMPND 8KM AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 CAH 8KM A 1 -3.169 2.686 1.450 1.00 20.00 C HETATM 2 CAI 8KM A 1 -3.639 1.684 2.506 1.00 20.00 C HETATM 3 CAG 8KM A 1 -3.999 1.470 1.034 1.00 20.00 C HETATM 4 CAA 8KM A 1 -3.290 0.362 0.299 1.00 20.00 C HETATM 5 CAB 8KM A 1 -2.240 -0.299 0.895 1.00 20.00 C HETATM 6 CAF 8KM A 1 -3.701 0.001 -0.988 1.00 20.00 C HETATM 7 CAJ 8KM A 1 -4.797 0.683 -1.609 1.00 20.00 C HETATM 8 NAK 8KM A 1 -5.665 1.224 -2.101 1.00 20.00 N HETATM 9 CAE 8KM A 1 -3.041 -1.028 -1.667 1.00 20.00 C HETATM 10 CAD 8KM A 1 -1.988 -1.681 -1.067 1.00 20.00 C HETATM 11 CAC 8KM A 1 -1.585 -1.322 0.216 1.00 20.00 C HETATM 12 NAL 8KM A 1 -0.523 -1.989 0.822 1.00 20.00 N HETATM 13 SAM 8KM A 1 1.032 -1.672 0.348 1.00 20.00 S HETATM 14 OAW 8KM A 1 1.826 -2.523 1.162 1.00 20.00 O HETATM 15 OAV 8KM A 1 1.006 -1.824 -1.064 1.00 20.00 O HETATM 16 CAN 8KM A 1 1.296 0.066 0.797 1.00 20.00 C HETATM 17 CAO 8KM A 1 2.649 0.511 0.303 1.00 20.00 C HETATM 18 CAT 8KM A 1 3.761 0.368 1.112 1.00 20.00 C HETATM 19 CAS 8KM A 1 5.002 0.777 0.660 1.00 20.00 C HETATM 20 CAR 8KM A 1 5.130 1.329 -0.601 1.00 20.00 C HETATM 21 CAU 8KM A 1 6.483 1.774 -1.094 1.00 20.00 C HETATM 22 CAQ 8KM A 1 4.019 1.471 -1.410 1.00 20.00 C HETATM 23 CAP 8KM A 1 2.779 1.058 -0.960 1.00 20.00 C HETATM 24 H1 8KM A 1 -3.657 3.660 1.428 1.00 20.00 H HETATM 25 H2 8KM A 1 -2.110 2.685 1.192 1.00 20.00 H HETATM 26 H3 8KM A 1 -2.890 1.023 2.942 1.00 20.00 H HETATM 27 H4 8KM A 1 -4.437 1.998 3.178 1.00 20.00 H HETATM 28 H5 8KM A 1 -5.033 1.644 0.738 1.00 20.00 H HETATM 29 H6 8KM A 1 -1.924 -0.024 1.890 1.00 20.00 H HETATM 30 H7 8KM A 1 -3.356 -1.309 -2.660 1.00 20.00 H HETATM 31 H8 8KM A 1 -1.478 -2.475 -1.591 1.00 20.00 H HETATM 32 H9 8KM A 1 -0.694 -2.639 1.521 1.00 20.00 H HETATM 33 H10 8KM A 1 0.522 0.681 0.339 1.00 20.00 H HETATM 34 H11 8KM A 1 1.252 0.172 1.880 1.00 20.00 H HETATM 35 H12 8KM A 1 3.660 -0.062 2.097 1.00 20.00 H HETATM 36 H13 8KM A 1 5.870 0.666 1.292 1.00 20.00 H HETATM 37 H14 8KM A 1 6.974 0.946 -1.605 1.00 20.00 H HETATM 38 H15 8KM A 1 6.361 2.607 -1.786 1.00 20.00 H HETATM 39 H16 8KM A 1 7.092 2.091 -0.247 1.00 20.00 H HETATM 40 H17 8KM A 1 4.119 1.901 -2.395 1.00 20.00 H HETATM 41 H18 8KM A 1 1.911 1.166 -1.593 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