HEADER Model coordinates for PDB-CCD BKL COMPND BKL AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C10 BKL A 1 26.350 -24.727 -42.615 1.00 20.00 C HETATM 2 C13 BKL A 1 29.372 -24.120 -43.663 1.00 20.00 C HETATM 3 C15 BKL A 1 30.297 -21.111 -42.702 1.00 20.00 C HETATM 4 C21 BKL A 1 30.161 -20.590 -46.566 1.00 20.00 C HETATM 5 C22 BKL A 1 30.572 -21.910 -47.438 1.00 20.00 C HETATM 6 C24 BKL A 1 30.096 -24.438 -47.327 1.00 20.00 C HETATM 7 C26 BKL A 1 28.046 -25.878 -47.635 1.00 20.00 C HETATM 8 C28 BKL A 1 27.247 -24.810 -48.350 1.00 20.00 C HETATM 9 C01 BKL A 1 25.130 -28.156 -43.821 1.00 20.00 C HETATM 10 C02 BKL A 1 25.899 -29.139 -44.455 1.00 20.00 C HETATM 11 C03 BKL A 1 26.624 -28.840 -45.619 1.00 20.00 C HETATM 12 C04 BKL A 1 26.571 -27.547 -46.162 1.00 20.00 C HETATM 13 C05 BKL A 1 25.788 -26.582 -45.513 1.00 20.00 C HETATM 14 C06 BKL A 1 25.051 -26.863 -44.341 1.00 20.00 C HETATM 15 N07 BKL A 1 24.287 -25.791 -43.748 1.00 20.00 N HETATM 16 C08 BKL A 1 24.839 -24.761 -42.905 1.00 20.00 C HETATM 17 O09 BKL A 1 24.106 -23.903 -42.452 1.00 20.00 O HETATM 18 C11 BKL A 1 26.947 -23.351 -42.975 1.00 20.00 C HETATM 19 C12 BKL A 1 28.473 -23.176 -42.870 1.00 20.00 C HETATM 20 C14 BKL A 1 28.928 -21.773 -42.403 1.00 20.00 C HETATM 21 C16 BKL A 1 30.761 -21.337 -44.177 1.00 20.00 C HETATM 22 O17 BKL A 1 31.904 -20.524 -44.259 1.00 20.00 O HETATM 23 C18 BKL A 1 32.213 -19.808 -45.375 1.00 20.00 C HETATM 24 O19 BKL A 1 33.355 -19.391 -45.440 1.00 20.00 O HETATM 25 N20 BKL A 1 31.228 -19.592 -46.355 1.00 20.00 N HETATM 26 C23 BKL A 1 29.728 -23.144 -47.179 1.00 20.00 C HETATM 27 C25 BKL A 1 29.223 -25.593 -47.028 1.00 20.00 C HETATM 28 C27 BKL A 1 27.354 -27.220 -47.429 1.00 20.00 C HETATM 29 O29 BKL A 1 30.533 -21.457 -48.787 1.00 20.00 O HETATM 30 C30 BKL A 1 31.552 -20.614 -49.296 1.00 20.00 C HETATM 31 C31 BKL A 1 29.633 -20.914 -45.127 1.00 20.00 C HETATM 32 O32 BKL A 1 29.153 -20.005 -47.352 1.00 20.00 O HETATM 33 C33 BKL A 1 31.349 -21.491 -41.639 1.00 20.00 C HETATM 34 O34 BKL A 1 28.949 -22.930 -41.555 1.00 20.00 O HETATM 35 O35 BKL A 1 26.634 -23.131 -44.332 1.00 20.00 O HETATM 36 C36 BKL A 1 22.826 -25.747 -43.990 1.00 20.00 C HETATM 37 O37 BKL A 1 25.977 -30.428 -43.937 1.00 20.00 O HETATM 38 C38 BKL A 1 24.797 -31.242 -43.940 1.00 20.00 C HETATM 39 CL3 BKL A 1 24.274 -28.570 -42.407 1.00 20.00 CL HETATM 40 H101 BKL A 1 26.849 -25.504 -43.212 1.00 20.00 H HETATM 41 H102 BKL A 1 26.516 -24.923 -41.546 1.00 20.00 H HETATM 42 H132 BKL A 1 30.426 -23.864 -43.480 1.00 20.00 H HETATM 43 H133 BKL A 1 29.186 -25.157 -43.345 1.00 20.00 H HETATM 44 H131 BKL A 1 29.152 -24.021 -44.736 1.00 20.00 H HETATM 45 H151 BKL A 1 30.138 -20.027 -42.600 1.00 20.00 H HETATM 46 H221 BKL A 1 31.611 -22.151 -47.170 1.00 20.00 H HETATM 47 H241 BKL A 1 31.094 -24.640 -47.688 1.00 20.00 H HETATM 48 H282 BKL A 1 27.852 -23.895 -48.436 1.00 20.00 H HETATM 49 H283 BKL A 1 26.976 -25.166 -49.355 1.00 20.00 H HETATM 50 H281 BKL A 1 26.332 -24.592 -47.779 1.00 20.00 H HETATM 51 H031 BKL A 1 27.221 -29.603 -46.096 1.00 20.00 H HETATM 52 H051 BKL A 1 25.747 -25.585 -45.925 1.00 20.00 H HETATM 53 H111 BKL A 1 26.465 -22.588 -42.346 1.00 20.00 H HETATM 54 H141 BKL A 1 28.106 -21.060 -42.239 1.00 20.00 H HETATM 55 H161 BKL A 1 31.002 -22.400 -44.329 1.00 20.00 H HETATM 56 H201 BKL A 1 31.250 -18.761 -46.910 1.00 20.00 H HETATM 57 H231 BKL A 1 28.718 -22.970 -46.838 1.00 20.00 H HETATM 58 H251 BKL A 1 29.554 -26.271 -46.255 1.00 20.00 H HETATM 59 H272 BKL A 1 26.646 -27.331 -48.264 1.00 20.00 H HETATM 60 H271 BKL A 1 28.140 -27.986 -47.510 1.00 20.00 H HETATM 61 H301 BKL A 1 31.341 -20.378 -50.349 1.00 20.00 H HETATM 62 H302 BKL A 1 31.584 -19.683 -48.711 1.00 20.00 H HETATM 63 H303 BKL A 1 32.522 -21.127 -49.223 1.00 20.00 H HETATM 64 H312 BKL A 1 29.144 -20.017 -44.719 1.00 20.00 H HETATM 65 H311 BKL A 1 28.901 -21.732 -45.194 1.00 20.00 H HETATM 66 H321 BKL A 1 28.838 -19.215 -46.928 1.00 20.00 H HETATM 67 H333 BKL A 1 30.942 -21.301 -40.635 1.00 20.00 H HETATM 68 H332 BKL A 1 31.601 -22.557 -41.737 1.00 20.00 H HETATM 69 H331 BKL A 1 32.255 -20.885 -41.787 1.00 20.00 H HETATM 70 H351 BKL A 1 25.698 -23.226 -44.461 1.00 20.00 H HETATM 71 H362 BKL A 1 22.394 -24.877 -43.474 1.00 20.00 H HETATM 72 H363 BKL A 1 22.636 -25.664 -45.070 1.00 20.00 H HETATM 73 H361 BKL A 1 22.363 -26.668 -43.606 1.00 20.00 H HETATM 74 H381 BKL A 1 25.027 -32.224 -43.500 1.00 20.00 H HETATM 75 H383 BKL A 1 24.011 -30.750 -43.348 1.00 20.00 H HETATM 76 H382 BKL A 1 24.447 -31.377 -44.974 1.00 20.00 H CONECT 1 18 16 40 41 CONECT 2 19 42 43 44 CONECT 3 21 20 33 45 CONECT 4 5 32 25 31 CONECT 5 29 26 46 CONECT 6 26 26 27 47 CONECT 7 8 28 27 27 CONECT 8 48 49 50 CONECT 9 10 10 14 39 CONECT 10 11 37 CONECT 11 12 12 51 CONECT 12 28 13 CONECT 13 14 14 52 CONECT 14 15 CONECT 15 36 16 CONECT 16 17 17 CONECT 18 35 19 53 CONECT 19 20 34 CONECT 20 34 54 CONECT 21 31 22 55 CONECT 22 23 CONECT 23 25 24 24 CONECT 25 56 CONECT 26 57 CONECT 27 58 CONECT 28 59 60 CONECT 29 30 CONECT 30 61 62 63 CONECT 31 64 65 CONECT 32 66 CONECT 33 67 68 69 CONECT 35 70 CONECT 36 71 72 73 CONECT 37 38 CONECT 38 74 75 76 END