HEADER Ideal coordinates for PDB-CCD FAD COMPND FAD AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 PA FAD A 1 -1.648 -0.629 -3.229 1.00 20.00 P HETATM 2 O1A FAD A 1 -3.035 -1.088 -2.992 1.00 20.00 O HETATM 3 O2A FAD A 1 -0.678 -1.906 -3.378 1.00 20.00 O HETATM 4 O5B FAD A 1 -1.595 0.245 -4.580 1.00 20.00 O HETATM 5 C5B FAD A 1 -2.036 -0.605 -5.640 1.00 20.00 C HETATM 6 C4B FAD A 1 -2.009 0.169 -6.959 1.00 20.00 C HETATM 7 O4B FAD A 1 -0.665 0.583 -7.256 1.00 20.00 O HETATM 8 C3B FAD A 1 -2.476 -0.741 -8.111 1.00 20.00 C HETATM 9 O3B FAD A 1 -3.639 -0.203 -8.744 1.00 20.00 O HETATM 10 C2B FAD A 1 -1.277 -0.748 -9.095 1.00 20.00 C HETATM 11 O2B FAD A 1 -1.728 -0.672 -10.449 1.00 20.00 O HETATM 12 C1B FAD A 1 -0.518 0.541 -8.692 1.00 20.00 C HETATM 13 N9A FAD A 1 0.895 0.449 -9.063 1.00 20.00 N HETATM 14 C8A FAD A 1 1.889 -0.118 -8.322 1.00 20.00 C HETATM 15 N7A FAD A 1 3.023 -0.024 -8.953 1.00 20.00 N HETATM 16 C5A FAD A 1 2.830 0.606 -10.136 1.00 20.00 C HETATM 17 C6A FAD A 1 3.663 0.979 -11.205 1.00 20.00 C HETATM 18 N6A FAD A 1 5.018 0.698 -11.178 1.00 20.00 N HETATM 19 N1A FAD A 1 3.119 1.607 -12.242 1.00 20.00 N HETATM 20 C2A FAD A 1 1.827 1.878 -12.277 1.00 20.00 C HETATM 21 N3A FAD A 1 1.010 1.549 -11.299 1.00 20.00 N HETATM 22 C4A FAD A 1 1.462 0.914 -10.223 1.00 20.00 C HETATM 23 N1 FAD A 1 -1.933 0.360 8.321 1.00 20.00 N HETATM 24 C2 FAD A 1 -2.802 1.033 9.070 1.00 20.00 C HETATM 25 O2 FAD A 1 -3.970 1.043 8.721 1.00 20.00 O HETATM 26 N3 FAD A 1 -2.474 1.701 10.185 1.00 20.00 N HETATM 27 C4 FAD A 1 -1.197 1.734 10.634 1.00 20.00 C HETATM 28 O4 FAD A 1 -0.897 2.340 11.644 1.00 20.00 O HETATM 29 C4X FAD A 1 -0.184 1.003 9.842 1.00 20.00 C HETATM 30 N5 FAD A 1 1.078 0.968 10.185 1.00 20.00 N HETATM 31 C5X FAD A 1 1.969 0.295 9.446 1.00 20.00 C HETATM 32 C6 FAD A 1 3.324 0.270 9.833 1.00 20.00 C HETATM 33 C7 FAD A 1 4.232 -0.412 9.082 1.00 20.00 C HETATM 34 C7M FAD A 1 5.679 -0.434 9.502 1.00 20.00 C HETATM 35 C8 FAD A 1 3.841 -1.085 7.930 1.00 20.00 C HETATM 36 C8M FAD A 1 4.866 -1.832 7.116 1.00 20.00 C HETATM 37 C9 FAD A 1 2.523 -1.082 7.529 1.00 20.00 C HETATM 38 C9A FAD A 1 1.572 -0.393 8.278 1.00 20.00 C HETATM 39 N10 FAD A 1 0.253 -0.382 7.877 1.00 20.00 N HETATM 40 C10 FAD A 1 -0.649 0.301 8.634 1.00 20.00 C HETATM 41 C1' FAD A 1 -0.168 -1.093 6.668 1.00 20.00 C HETATM 42 C2' FAD A 1 -0.070 -0.153 5.464 1.00 20.00 C HETATM 43 O2' FAD A 1 -0.919 0.977 5.673 1.00 20.00 O HETATM 44 C3' FAD A 1 -0.511 -0.895 4.201 1.00 20.00 C HETATM 45 O3' FAD A 1 0.337 -2.026 3.992 1.00 20.00 O HETATM 46 C4' FAD A 1 -0.413 0.044 2.997 1.00 20.00 C HETATM 47 O4' FAD A 1 -1.262 1.174 3.206 1.00 20.00 O HETATM 48 C5' FAD A 1 -0.854 -0.697 1.734 1.00 20.00 C HETATM 49 O5' FAD A 1 -0.763 0.179 0.610 1.00 20.00 O HETATM 50 P FAD A 1 -1.239 -0.662 -0.677 1.00 20.00 P HETATM 51 O1P FAD A 1 -0.354 -1.835 -0.853 1.00 20.00 O HETATM 52 O2P FAD A 1 -2.754 -1.160 -0.462 1.00 20.00 O HETATM 53 O3P FAD A 1 -1.161 0.270 -1.987 1.00 20.00 O HETATM 54 HOA2 FAD A 1 0.212 -1.564 -3.531 1.00 20.00 H HETATM 55 H51A FAD A 1 -1.374 -1.468 -5.712 1.00 20.00 H HETATM 56 H52A FAD A 1 -3.052 -0.942 -5.437 1.00 20.00 H HETATM 57 H4B FAD A 1 -2.659 1.041 -6.890 1.00 20.00 H HETATM 58 H3B FAD A 1 -2.674 -1.748 -7.744 1.00 20.00 H HETATM 59 HO3A FAD A 1 -3.845 -0.782 -9.490 1.00 20.00 H HETATM 60 H2B FAD A 1 -0.653 -1.630 -8.944 1.00 20.00 H HETATM 61 HO2A FAD A 1 -2.190 -1.501 -10.636 1.00 20.00 H HETATM 62 H1B FAD A 1 -0.978 1.416 -9.150 1.00 20.00 H HETATM 63 H8A FAD A 1 1.754 -0.577 -7.354 1.00 20.00 H HETATM 64 H61A FAD A 1 5.582 0.960 -11.922 1.00 20.00 H HETATM 65 H62A FAD A 1 5.403 0.239 -10.415 1.00 20.00 H HETATM 66 H2A FAD A 1 1.427 2.391 -13.139 1.00 20.00 H HETATM 67 HN3 FAD A 1 -3.164 2.169 10.679 1.00 20.00 H HETATM 68 H6 FAD A 1 3.641 0.792 10.723 1.00 20.00 H HETATM 69 HM71 FAD A 1 5.853 -1.285 10.162 1.00 20.00 H HETATM 70 HM72 FAD A 1 6.313 -0.523 8.620 1.00 20.00 H HETATM 71 HM73 FAD A 1 5.919 0.488 10.030 1.00 20.00 H HETATM 72 HM81 FAD A 1 5.285 -1.167 6.361 1.00 20.00 H HETATM 73 HM82 FAD A 1 5.662 -2.185 7.772 1.00 20.00 H HETATM 74 HM83 FAD A 1 4.393 -2.684 6.628 1.00 20.00 H HETATM 75 H9 FAD A 1 2.228 -1.609 6.634 1.00 20.00 H HETATM 76 H1'1 FAD A 1 0.478 -1.955 6.508 1.00 20.00 H HETATM 77 H1'2 FAD A 1 -1.198 -1.428 6.784 1.00 20.00 H HETATM 78 H2' FAD A 1 0.959 0.182 5.348 1.00 20.00 H HETATM 79 HO2' FAD A 1 -1.819 0.637 5.771 1.00 20.00 H HETATM 80 H3' FAD A 1 -1.541 -1.231 4.317 1.00 20.00 H HETATM 81 HO3' FAD A 1 1.237 -1.686 3.894 1.00 20.00 H HETATM 82 H4' FAD A 1 0.616 0.379 2.881 1.00 20.00 H HETATM 83 HO4' FAD A 1 -2.162 0.834 3.304 1.00 20.00 H HETATM 84 H5'1 FAD A 1 -0.207 -1.560 1.575 1.00 20.00 H HETATM 85 H5'2 FAD A 1 -1.884 -1.033 1.850 1.00 20.00 H HETATM 86 HOP2 FAD A 1 -3.296 -0.367 -0.351 1.00 20.00 H CONECT 1 2 2 3 4 53 CONECT 3 54 CONECT 4 5 CONECT 5 6 55 56 CONECT 6 7 8 57 CONECT 7 12 CONECT 8 9 10 58 CONECT 9 59 CONECT 10 11 12 60 CONECT 11 61 CONECT 12 13 62 CONECT 13 14 22 CONECT 14 15 15 63 CONECT 15 16 CONECT 16 17 22 22 CONECT 17 18 19 19 CONECT 18 64 65 CONECT 19 20 CONECT 20 21 21 66 CONECT 21 22 CONECT 23 24 40 40 CONECT 24 25 25 26 CONECT 26 27 67 CONECT 27 28 28 29 CONECT 29 30 30 40 CONECT 30 31 CONECT 31 32 38 38 CONECT 32 33 33 68 CONECT 33 34 35 CONECT 34 69 70 71 CONECT 35 36 37 37 CONECT 36 72 73 74 CONECT 37 38 75 CONECT 38 39 CONECT 39 40 41 CONECT 41 42 76 77 CONECT 42 43 44 78 CONECT 43 79 CONECT 44 45 46 80 CONECT 45 81 CONECT 46 47 48 82 CONECT 47 83 CONECT 48 49 84 85 CONECT 49 50 CONECT 50 51 51 52 53 CONECT 52 86 END