HEADER Ideal coordinates for PDB-CCD D7C COMPND D7C AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C10 D7C A 1 6.053 2.638 -0.231 1.00 20.00 C HETATM 2 C11 D7C A 1 6.786 1.470 -0.077 1.00 20.00 C HETATM 3 C9 D7C A 1 4.677 2.606 -0.229 1.00 20.00 C HETATM 4 C12 D7C A 1 6.145 0.259 0.080 1.00 20.00 C HETATM 5 C8 D7C A 1 4.012 1.386 -0.076 1.00 20.00 C HETATM 6 C7 D7C A 1 4.759 0.208 0.085 1.00 20.00 C HETATM 7 C16 D7C A 1 -1.739 0.421 0.007 1.00 20.00 C HETATM 8 C19 D7C A 1 -3.787 0.521 0.722 1.00 20.00 C HETATM 9 C5 D7C A 1 2.593 -0.270 0.132 1.00 20.00 C HETATM 10 C22 D7C A 1 -6.164 0.359 -0.563 1.00 20.00 C HETATM 11 C21 D7C A 1 -5.016 0.256 -1.280 1.00 20.00 C HETATM 12 C23 D7C A 1 -6.091 0.535 0.824 1.00 20.00 C HETATM 13 C13 D7C A 1 0.270 -0.984 0.213 1.00 20.00 C HETATM 14 C1 D7C A 1 3.726 -2.269 0.406 1.00 20.00 C HETATM 15 C2 D7C A 1 2.213 -2.545 0.440 1.00 20.00 C HETATM 16 C25 D7C A 1 -5.062 0.051 -2.772 1.00 20.00 C HETATM 17 C26 D7C A 1 -7.357 0.627 1.637 1.00 20.00 C HETATM 18 C27 D7C A 1 1.815 -3.476 -0.707 1.00 20.00 C HETATM 19 C15 D7C A 1 -0.232 0.422 0.014 1.00 20.00 C HETATM 20 N6 D7C A 1 2.703 1.035 -0.033 1.00 20.00 N HETATM 21 N18 D7C A 1 -2.508 0.571 1.077 1.00 20.00 N HETATM 22 N17 D7C A 1 -2.490 0.277 -1.058 1.00 20.00 N HETATM 23 N24 D7C A 1 -4.924 0.619 1.421 1.00 20.00 N HETATM 24 N4 D7C A 1 3.835 -0.816 0.217 1.00 20.00 N HETATM 25 N20 D7C A 1 -3.823 0.341 -0.632 1.00 20.00 N HETATM 26 N3 D7C A 1 1.595 -1.227 0.252 1.00 20.00 N HETATM 27 O14 D7C A 1 -0.518 -1.898 0.337 1.00 20.00 O HETATM 28 H1 D7C A 1 6.566 3.581 -0.350 1.00 20.00 H HETATM 29 H2 D7C A 1 7.865 1.510 -0.081 1.00 20.00 H HETATM 30 H3 D7C A 1 4.113 3.519 -0.345 1.00 20.00 H HETATM 31 H4 D7C A 1 6.720 -0.647 0.199 1.00 20.00 H HETATM 32 H5 D7C A 1 -7.123 0.289 -1.055 1.00 20.00 H HETATM 33 H6 D7C A 1 4.185 -2.556 1.352 1.00 20.00 H HETATM 34 H7 D7C A 1 4.191 -2.805 -0.421 1.00 20.00 H HETATM 35 H8 D7C A 1 1.926 -2.979 1.398 1.00 20.00 H HETATM 36 H9 D7C A 1 -5.077 -1.017 -2.992 1.00 20.00 H HETATM 37 H10 D7C A 1 -5.961 0.517 -3.176 1.00 20.00 H HETATM 38 H11 D7C A 1 -4.182 0.504 -3.229 1.00 20.00 H HETATM 39 H12 D7C A 1 -7.654 -0.370 1.961 1.00 20.00 H HETATM 40 H13 D7C A 1 -7.183 1.257 2.509 1.00 20.00 H HETATM 41 H14 D7C A 1 -8.149 1.062 1.027 1.00 20.00 H HETATM 42 H15 D7C A 1 2.350 -4.421 -0.611 1.00 20.00 H HETATM 43 H16 D7C A 1 0.741 -3.661 -0.669 1.00 20.00 H HETATM 44 H17 D7C A 1 2.069 -3.010 -1.659 1.00 20.00 H HETATM 45 H18 D7C A 1 0.135 0.808 -0.938 1.00 20.00 H HETATM 46 H19 D7C A 1 0.127 1.055 0.825 1.00 20.00 H CONECT 1 2 2 3 28 CONECT 2 4 29 CONECT 3 5 5 30 CONECT 4 6 6 31 CONECT 5 6 20 CONECT 6 24 CONECT 7 19 22 22 21 CONECT 8 25 21 21 23 CONECT 9 24 26 20 20 CONECT 10 11 11 12 32 CONECT 11 16 25 CONECT 12 23 23 17 CONECT 13 26 27 27 19 CONECT 14 15 24 33 34 CONECT 15 18 26 35 CONECT 16 36 37 38 CONECT 17 39 40 41 CONECT 18 42 43 44 CONECT 19 45 46 CONECT 22 25 END