HEADER Ideal coordinates for PDB-CCD 6AS COMPND 6AS AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O11 6AS A 1 5.056 1.426 1.516 1.00 20.00 O HETATM 2 C1 6AS A 1 5.867 1.881 0.733 1.00 20.00 C HETATM 3 O12 6AS A 1 6.815 2.739 1.165 1.00 20.00 O HETATM 4 C2 6AS A 1 5.820 1.506 -0.634 1.00 20.00 C HETATM 5 C3 6AS A 1 4.795 0.753 -1.094 1.00 20.00 C HETATM 6 C6 6AS A 1 4.854 0.166 -2.481 1.00 20.00 C HETATM 7 C4 6AS A 1 3.629 0.507 -0.245 1.00 20.00 C HETATM 8 C5 6AS A 1 2.679 -0.339 -0.646 1.00 20.00 C HETATM 9 C1' 6AS A 1 1.478 -0.592 0.229 1.00 20.00 C HETATM 10 C2' 6AS A 1 0.240 -0.161 -0.500 1.00 20.00 C HETATM 11 C7' 6AS A 1 0.305 1.076 -1.357 1.00 20.00 C HETATM 12 O1' 6AS A 1 1.603 0.173 1.430 1.00 20.00 O HETATM 13 C6' 6AS A 1 1.421 -2.077 0.585 1.00 20.00 C HETATM 14 C8' 6AS A 1 2.613 -2.436 1.474 1.00 20.00 C HETATM 15 C9' 6AS A 1 1.468 -2.912 -0.696 1.00 20.00 C HETATM 16 C5' 6AS A 1 0.113 -2.363 1.336 1.00 20.00 C HETATM 17 C4' 6AS A 1 -1.028 -2.041 0.393 1.00 20.00 C HETATM 18 O4' 6AS A 1 -2.000 -2.763 0.314 1.00 20.00 O HETATM 19 C3' 6AS A 1 -0.916 -0.822 -0.425 1.00 20.00 C HETATM 20 S 6AS A 1 -2.321 -0.230 -1.309 1.00 20.00 S HETATM 21 CA1 6AS A 1 -3.519 0.113 0.009 1.00 20.00 C HETATM 22 CA2 6AS A 1 -4.855 0.528 -0.611 1.00 20.00 C HETATM 23 CA3 6AS A 1 -5.865 0.817 0.501 1.00 20.00 C HETATM 24 CA4 6AS A 1 -7.201 1.232 -0.119 1.00 20.00 C HETATM 25 CA5 6AS A 1 -8.211 1.521 0.993 1.00 20.00 C HETATM 26 CA6 6AS A 1 -9.547 1.935 0.373 1.00 20.00 C HETATM 27 H1 6AS A 1 6.769 2.931 2.111 1.00 20.00 H HETATM 28 H2 6AS A 1 6.603 1.822 -1.308 1.00 20.00 H HETATM 29 H3 6AS A 1 5.319 -0.818 -2.440 1.00 20.00 H HETATM 30 H4 6AS A 1 3.844 0.074 -2.880 1.00 20.00 H HETATM 31 H5 6AS A 1 5.442 0.819 -3.127 1.00 20.00 H HETATM 32 H6 6AS A 1 3.538 1.011 0.706 1.00 20.00 H HETATM 33 H7 6AS A 1 2.770 -0.843 -1.597 1.00 20.00 H HETATM 34 H8 6AS A 1 0.643 0.807 -2.358 1.00 20.00 H HETATM 35 H9 6AS A 1 -0.684 1.530 -1.417 1.00 20.00 H HETATM 36 H10 6AS A 1 1.004 1.787 -0.917 1.00 20.00 H HETATM 37 H11 6AS A 1 1.658 1.127 1.284 1.00 20.00 H HETATM 38 H12 6AS A 1 2.577 -1.842 2.388 1.00 20.00 H HETATM 39 H13 6AS A 1 2.571 -3.495 1.727 1.00 20.00 H HETATM 40 H14 6AS A 1 3.540 -2.226 0.941 1.00 20.00 H HETATM 41 H15 6AS A 1 2.394 -2.702 -1.233 1.00 20.00 H HETATM 42 H16 6AS A 1 1.428 -3.971 -0.441 1.00 20.00 H HETATM 43 H17 6AS A 1 0.617 -2.657 -1.328 1.00 20.00 H HETATM 44 H18 6AS A 1 0.072 -3.414 1.622 1.00 20.00 H HETATM 45 H19 6AS A 1 0.050 -1.734 2.224 1.00 20.00 H HETATM 46 H20 6AS A 1 -3.661 -0.783 0.613 1.00 20.00 H HETATM 47 H21 6AS A 1 -3.145 0.921 0.639 1.00 20.00 H HETATM 48 H22 6AS A 1 -4.713 1.424 -1.215 1.00 20.00 H HETATM 49 H23 6AS A 1 -5.229 -0.280 -1.241 1.00 20.00 H HETATM 50 H24 6AS A 1 -6.007 -0.079 1.105 1.00 20.00 H HETATM 51 H25 6AS A 1 -5.491 1.624 1.131 1.00 20.00 H HETATM 52 H26 6AS A 1 -7.059 2.128 -0.723 1.00 20.00 H HETATM 53 H27 6AS A 1 -7.575 0.424 -0.749 1.00 20.00 H HETATM 54 H28 6AS A 1 -8.353 0.625 1.597 1.00 20.00 H HETATM 55 H29 6AS A 1 -7.837 2.328 1.623 1.00 20.00 H HETATM 56 H30 6AS A 1 -9.405 2.831 -0.231 1.00 20.00 H HETATM 57 H31 6AS A 1 -9.921 1.128 -0.257 1.00 20.00 H HETATM 58 H32 6AS A 1 -10.267 2.142 1.165 1.00 20.00 H CONECT 1 2 2 CONECT 2 4 3 CONECT 3 27 CONECT 4 5 5 28 CONECT 5 6 7 CONECT 6 29 30 31 CONECT 7 8 8 32 CONECT 8 9 33 CONECT 9 10 13 12 CONECT 10 19 19 11 CONECT 11 34 35 36 CONECT 12 37 CONECT 13 16 15 14 CONECT 14 38 39 40 CONECT 15 41 42 43 CONECT 16 17 44 45 CONECT 17 18 18 19 CONECT 19 20 CONECT 20 21 CONECT 21 22 46 47 CONECT 22 23 48 49 CONECT 23 24 50 51 CONECT 24 25 52 53 CONECT 25 26 54 55 CONECT 26 56 57 58 END