HEADER Ideal coordinates for PDB-CCD H2U COMPND H2U AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 P H2U A 1 -1.087 0.031 -3.989 1.00 20.00 P HETATM 2 OP1 H2U A 1 -1.678 -1.272 -3.613 1.00 20.00 O HETATM 3 OP2 H2U A 1 -2.235 0.986 -4.593 1.00 20.00 O HETATM 4 OP3 H2U A 1 0.058 -0.197 -5.097 1.00 20.00 O HETATM 5 O5' H2U A 1 -0.444 0.725 -2.687 1.00 20.00 O HETATM 6 C5' H2U A 1 0.561 -0.164 -2.199 1.00 20.00 C HETATM 7 C4' H2U A 1 1.216 0.437 -0.955 1.00 20.00 C HETATM 8 O4' H2U A 1 0.236 0.615 0.093 1.00 20.00 O HETATM 9 C3' H2U A 1 2.255 -0.538 -0.359 1.00 20.00 C HETATM 10 O3' H2U A 1 3.574 -0.183 -0.778 1.00 20.00 O HETATM 11 C1' H2U A 1 0.997 0.702 1.318 1.00 20.00 C HETATM 12 C2' H2U A 1 2.107 -0.361 1.168 1.00 20.00 C HETATM 13 O2' H2U A 1 3.331 0.104 1.739 1.00 20.00 O HETATM 14 N1 H2U A 1 0.148 0.394 2.471 1.00 20.00 N HETATM 15 C2 H2U A 1 -0.524 -0.766 2.507 1.00 20.00 C HETATM 16 O2 H2U A 1 -0.332 -1.590 1.633 1.00 20.00 O HETATM 17 N3 H2U A 1 -1.397 -1.045 3.489 1.00 20.00 N HETATM 18 C4 H2U A 1 -1.818 -0.085 4.333 1.00 20.00 C HETATM 19 O4 H2U A 1 -2.546 -0.368 5.260 1.00 20.00 O HETATM 20 C5 H2U A 1 -1.384 1.343 4.125 1.00 20.00 C HETATM 21 C6 H2U A 1 0.040 1.360 3.566 1.00 20.00 C HETATM 22 HOP2 H2U A 1 -2.593 0.534 -5.370 1.00 20.00 H HETATM 23 HOP3 H2U A 1 0.415 0.674 -5.313 1.00 20.00 H HETATM 24 H5' H2U A 1 1.317 -0.316 -2.970 1.00 20.00 H HETATM 25 H5'' H2U A 1 0.106 -1.121 -1.943 1.00 20.00 H HETATM 26 H4' H2U A 1 1.688 1.389 -1.198 1.00 20.00 H HETATM 27 H3' H2U A 1 2.026 -1.563 -0.649 1.00 20.00 H HETATM 28 HO3' H2U A 1 4.180 -0.805 -0.353 1.00 20.00 H HETATM 29 H1' H2U A 1 1.435 1.694 1.423 1.00 20.00 H HETATM 30 H2' H2U A 1 1.803 -1.299 1.633 1.00 20.00 H HETATM 31 HO2' H2U A 1 3.998 -0.572 1.562 1.00 20.00 H HETATM 32 HN3 H2U A 1 -1.731 -1.950 3.591 1.00 20.00 H HETATM 33 H51 H2U A 1 -1.408 1.874 5.076 1.00 20.00 H HETATM 34 H52 H2U A 1 -2.057 1.829 3.419 1.00 20.00 H HETATM 35 H61 H2U A 1 0.743 1.094 4.356 1.00 20.00 H HETATM 36 H62 H2U A 1 0.273 2.358 3.194 1.00 20.00 H CONECT 1 2 2 3 4 5 CONECT 3 22 CONECT 4 23 CONECT 5 6 CONECT 6 7 24 25 CONECT 7 8 9 26 CONECT 8 11 CONECT 9 10 12 27 CONECT 10 28 CONECT 11 12 14 29 CONECT 12 13 30 CONECT 13 31 CONECT 14 15 21 CONECT 15 16 16 17 CONECT 17 18 32 CONECT 18 19 19 20 CONECT 20 21 33 34 CONECT 21 35 36 END