HEADER Model coordinates for PDB-CCD P33 COMPND P33 AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 O22 P33 A 1 -17.867 71.722 -0.818 1.00 20.00 O HETATM 2 C21 P33 A 1 -18.031 70.323 -0.571 1.00 20.00 C HETATM 3 C20 P33 A 1 -18.532 70.074 0.838 1.00 20.00 C HETATM 4 O19 P33 A 1 -18.003 68.884 1.427 1.00 20.00 O HETATM 5 C18 P33 A 1 -18.239 68.794 2.846 1.00 20.00 C HETATM 6 C17 P33 A 1 -17.279 67.811 3.527 1.00 20.00 C HETATM 7 O16 P33 A 1 -17.200 67.898 4.959 1.00 20.00 O HETATM 8 C15 P33 A 1 -16.136 68.740 5.433 1.00 20.00 C HETATM 9 C14 P33 A 1 -16.570 70.203 5.382 1.00 20.00 C HETATM 10 O13 P33 A 1 -15.926 71.023 6.352 1.00 20.00 O HETATM 11 C12 P33 A 1 -16.769 71.271 7.478 1.00 20.00 C HETATM 12 C11 P33 A 1 -17.377 72.663 7.497 1.00 20.00 C HETATM 13 O10 P33 A 1 -18.193 72.754 8.673 1.00 20.00 O HETATM 14 C9 P33 A 1 -19.531 73.162 8.346 1.00 20.00 C HETATM 15 C8 P33 A 1 -20.566 72.660 9.359 1.00 20.00 C HETATM 16 O7 P33 A 1 -21.693 73.550 9.365 1.00 20.00 O HETATM 17 C6 P33 A 1 -22.758 73.067 10.177 1.00 20.00 C HETATM 18 C5 P33 A 1 -23.374 74.197 10.985 1.00 20.00 C HETATM 19 O4 P33 A 1 -22.983 73.986 12.338 1.00 20.00 O HETATM 20 C3 P33 A 1 -23.403 74.985 13.260 1.00 20.00 C HETATM 21 C2 P33 A 1 -22.367 76.096 13.386 1.00 20.00 C HETATM 22 O1 P33 A 1 -21.657 75.995 14.607 1.00 20.00 O HETATM 23 H22 P33 A 1 -17.553 71.878 -1.700 1.00 20.00 H HETATM 24 H211 P33 A 1 -18.691 69.845 -1.332 1.00 20.00 H HETATM 25 H212 P33 A 1 -17.093 69.756 -0.780 1.00 20.00 H HETATM 26 H201 P33 A 1 -18.336 70.957 1.489 1.00 20.00 H HETATM 27 H202 P33 A 1 -19.646 70.067 0.865 1.00 20.00 H HETATM 28 H181 P33 A 1 -18.197 69.798 3.327 1.00 20.00 H HETATM 29 H182 P33 A 1 -19.302 68.537 3.063 1.00 20.00 H HETATM 30 H171 P33 A 1 -17.528 66.767 3.224 1.00 20.00 H HETATM 31 H172 P33 A 1 -16.260 67.909 3.085 1.00 20.00 H HETATM 32 H151 P33 A 1 -15.787 68.441 6.449 1.00 20.00 H HETATM 33 H152 P33 A 1 -15.185 68.565 4.877 1.00 20.00 H HETATM 34 H141 P33 A 1 -16.429 70.620 4.357 1.00 20.00 H HETATM 35 H142 P33 A 1 -17.678 70.288 5.467 1.00 20.00 H HETATM 36 H121 P33 A 1 -17.565 70.494 7.550 1.00 20.00 H HETATM 37 H122 P33 A 1 -16.222 71.068 8.428 1.00 20.00 H HETATM 38 H111 P33 A 1 -16.614 73.473 7.431 1.00 20.00 H HETATM 39 H112 P33 A 1 -17.930 72.910 6.561 1.00 20.00 H HETATM 40 H91 P33 A 1 -19.593 74.268 8.224 1.00 20.00 H HETATM 41 H92 P33 A 1 -19.802 72.851 7.309 1.00 20.00 H HETATM 42 H81 P33 A 1 -20.863 71.602 9.170 1.00 20.00 H HETATM 43 H82 P33 A 1 -20.130 72.522 10.376 1.00 20.00 H HETATM 44 H61 P33 A 1 -23.523 72.525 9.574 1.00 20.00 H HETATM 45 H62 P33 A 1 -22.430 72.224 10.829 1.00 20.00 H HETATM 46 H51 P33 A 1 -23.108 75.209 10.601 1.00 20.00 H HETATM 47 H52 P33 A 1 -24.477 74.283 10.852 1.00 20.00 H HETATM 48 H31 P33 A 1 -24.406 75.390 12.993 1.00 20.00 H HETATM 49 H32 P33 A 1 -23.653 74.545 14.253 1.00 20.00 H HETATM 50 H21 P33 A 1 -21.677 76.115 12.510 1.00 20.00 H HETATM 51 H22A P33 A 1 -22.828 77.103 13.261 1.00 20.00 H HETATM 52 HO1 P33 A 1 -21.011 76.687 14.685 1.00 20.00 H CONECT 1 2 23 CONECT 2 3 24 25 CONECT 3 4 26 27 CONECT 4 5 CONECT 5 6 28 29 CONECT 6 7 30 31 CONECT 7 8 CONECT 8 9 32 33 CONECT 9 10 34 35 CONECT 10 11 CONECT 11 12 36 37 CONECT 12 13 38 39 CONECT 13 14 CONECT 14 15 40 41 CONECT 15 16 42 43 CONECT 16 17 CONECT 17 18 44 45 CONECT 18 19 46 47 CONECT 19 20 CONECT 20 21 48 49 CONECT 21 22 50 51 CONECT 22 52 END