0HY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | sing | 1.37Å | 1.42Å | |
| N5 | C9 | sing | 1.36Å | 1.47Å | |
| N5 | C2 | sing | 1.35Å | 1.41Å | |
| C9 | N2 | doub | 1.32Å | 1.40Å | |
| O1 | C2 | doub | 1.22Å | 1.38Å | |
| C2 | C1 | sing | 1.46Å | 1.45Å | |
| N2 | C6 | sing | 1.33Å | 1.36Å | |
| C1 | C6 | doub | 1.41Å | 1.37Å | |
| C1 | C7 | sing | 1.41Å | 1.50Å | |
| C6 | N4 | sing | 1.37Å | 1.43Å | |
| C7 | O4 | doub | 1.22Å | 1.37Å | |
| C7 | C4 | sing | 1.42Å | 1.48Å | |
| N4 | N3 | sing | 1.40Å | 1.35Å | |
| C4 | N3 | doub | 1.30Å | 1.29Å | |
| C4 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | O3 | sing | 1.34Å | 1.25Å | |
| C3 | O2 | doub | 1.21Å | 1.26Å | |
| O3 | C5 | sing | 1.45Å | 1.38Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C9 | N5 | 121.3° | 118.5° |
| N1 | C9 | N2 | 121.1° | 118.5° |
| C9 | N1 | H1 | 120.0° | 120.0° |
| C9 | N1 | H2 | 120.0° | 120.0° |
| C9 | N5 | C2 | 120.1° | 120.2° |
| N5 | C9 | N2 | 117.6° | 123.0° |
| C9 | N5 | H11 | 119.9° | 119.9° |
| N5 | C2 | O1 | 118.9° | 121.4° |
| N5 | C2 | C1 | 119.5° | 117.4° |
| C2 | N5 | H11 | 119.9° | 119.9° |
| C9 | N2 | C6 | 120.6° | 121.7° |
| O1 | C2 | C1 | 121.6° | 121.2° |
| C2 | C1 | C6 | 117.7° | 118.5° |
| C2 | C1 | C7 | 125.7° | 122.2° |
| N2 | C6 | C1 | 124.4° | 119.2° |
| N2 | C6 | N4 | 118.6° | 121.7° |
| C6 | C1 | C7 | 116.6° | 119.3° |
| C1 | C6 | N4 | 116.9° | 119.1° |
| C1 | C7 | O4 | 121.2° | 120.8° |
| C1 | C7 | C4 | 119.8° | 118.5° |
| C6 | N4 | N3 | 127.4° | 120.5° |
| C6 | N4 | H14 | 116.3° | 119.7° |
| O4 | C7 | C4 | 119.0° | 120.7° |
| C7 | C4 | N3 | 119.5° | 120.5° |
| C7 | C4 | C11 | 119.2° | 119.7° |
| N4 | N3 | C4 | 119.7° | 122.0° |
| N3 | N4 | H14 | 116.3° | 119.7° |
| N3 | C4 | C11 | 121.0° | 119.7° |
| C4 | C11 | C10 | 109.9° | 109.4° |
| C4 | C11 | C8 | 116.3° | 109.5° |
| C4 | C11 | H12 | 106.3° | 109.5° |
| C10 | C11 | C8 | 110.7° | 109.5° |
| C11 | C10 | H8 | 109.5° | 109.5° |
| C11 | C10 | H9 | 109.5° | 109.5° |
| C11 | C10 | H10 | 109.5° | 109.5° |
| C10 | C11 | H12 | 106.5° | 109.4° |
| C11 | C8 | C3 | 115.1° | 109.5° |
| C11 | C8 | H6 | 108.1° | 109.5° |
| C11 | C8 | H7 | 108.0° | 109.5° |
| C8 | C11 | H12 | 106.5° | 109.5° |
| C8 | C3 | O3 | 117.4° | 120.0° |
| C8 | C3 | O2 | 120.9° | 120.0° |
| C3 | C8 | H6 | 108.0° | 109.4° |
| C3 | C8 | H7 | 108.1° | 109.5° |
| O3 | C3 | O2 | 118.8° | 119.9° |
| C3 | O3 | C5 | 118.3° | 117.1° |
| O3 | C5 | H3 | 109.5° | 109.5° |
| O3 | C5 | H4 | 109.4° | 109.4° |
| O3 | C5 | H5 | 109.5° | 109.4° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | N5 | N2 | 179.0° | 179.4° |
| N1 | C9 | N5 | C2 | 178.6° | 179.8° |
| N1 | C9 | N2 | C6 | 178.8° | 179.9° |
| C9 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C9 | N5 | H11 | 1.4° | 0.5° |
| C9 | N5 | C2 | H11 | 180.0° | 179.7° |
| C9 | N5 | C2 | O1 | 177.9° | 180.0° |
| C9 | N5 | C2 | C1 | 0.3° | 0.0° |
| N5 | C9 | N2 | C6 | 0.2° | 0.6° |
| N5 | C9 | N1 | H1 | 179.0° | 179.5° |
| N5 | C9 | N1 | H2 | 1.0° | 0.2° |
| C2 | N5 | C9 | N2 | 0.4° | 0.3° |
| N5 | C2 | O1 | C1 | 178.2° | 179.9° |
| N5 | C2 | C1 | C6 | 0.0° | 0.0° |
| N5 | C2 | C1 | C7 | 180.0° | 179.8° |
| C9 | N2 | C6 | C1 | 0.1° | 0.6° |
| C9 | N2 | C6 | N4 | 179.3° | 179.5° |
| N2 | C9 | N1 | H1 | 0.0° | 0.0° |
| N2 | C9 | N1 | H2 | 180.0° | 179.7° |
| N2 | C9 | N5 | H11 | 179.6° | 180.0° |
| O1 | C2 | C1 | C6 | 178.2° | 180.0° |
| O1 | C2 | C1 | C7 | 1.8° | 0.3° |
| O1 | C2 | N5 | H11 | 2.1° | 0.3° |
| C2 | C1 | C6 | N2 | 0.2° | 0.3° |
| C2 | C1 | C6 | C7 | 180.0° | 179.8° |
| C2 | C1 | C6 | N4 | 179.5° | 179.8° |
| C2 | C1 | C7 | O4 | 3.1° | 0.2° |
| C2 | C1 | C7 | C4 | 179.9° | 179.7° |
| C1 | C2 | N5 | H11 | 179.7° | 179.7° |
| N2 | C6 | C1 | N4 | 179.3° | 180.0° |
| N2 | C6 | C1 | C7 | 179.8° | 179.9° |
| N2 | C6 | N4 | N3 | 180.0° | 180.0° |
| N2 | C6 | N4 | H14 | 0.0° | 0.0° |
| C6 | C1 | C7 | O4 | 177.0° | 180.0° |
| C6 | C1 | C7 | C4 | 0.2° | 0.1° |
| C1 | C6 | N4 | N3 | 0.7° | 0.0° |
| C1 | C6 | N4 | H14 | 179.3° | 180.0° |
| C7 | C1 | C6 | N4 | 0.5° | 0.0° |
| C1 | C7 | O4 | C4 | 176.8° | 179.9° |
| C1 | C7 | C4 | N3 | 0.8° | 0.1° |
| C1 | C7 | C4 | C11 | 174.5° | 180.0° |
| C6 | N4 | N3 | H14 | 180.0° | 180.0° |
| C6 | N4 | N3 | C4 | 0.0° | 0.0° |
| O4 | C7 | C4 | N3 | 177.7° | 180.0° |
| O4 | C7 | C4 | C11 | 8.7° | 0.1° |
| C7 | C4 | N3 | N4 | 0.7° | 0.1° |
| C7 | C4 | N3 | C11 | 173.5° | 179.9° |
| C7 | C4 | C11 | C10 | 148.1° | 65.1° |
| C7 | C4 | C11 | C8 | 85.2° | 175.0° |
| C7 | C4 | C11 | H12 | 33.2° | 54.9° |
| N4 | N3 | C4 | C11 | 174.2° | 180.0° |
| N3 | C4 | C11 | C10 | 25.4° | 115.0° |
| N3 | C4 | C11 | C8 | 101.3° | 4.9° |
| N3 | C4 | C11 | H12 | 140.3° | 125.0° |
| C4 | N3 | N4 | H14 | 180.0° | 180.0° |
| C4 | C11 | C10 | C8 | 129.8° | 120.0° |
| C4 | C11 | C10 | H12 | 114.8° | 120.0° |
| C4 | C11 | C8 | H12 | 118.3° | 120.0° |
| C4 | C11 | C8 | C3 | 41.7° | 175.0° |
| C4 | C11 | C8 | H6 | 162.5° | 65.0° |
| C4 | C11 | C8 | H7 | 79.2° | 55.0° |
| C4 | C11 | C10 | H8 | 180.0° | 180.0° |
| C4 | C11 | C10 | H9 | 60.0° | 60.0° |
| C4 | C11 | C10 | H10 | 60.0° | 60.0° |
| C10 | C11 | C8 | H12 | 115.4° | 120.0° |
| C10 | C11 | C8 | C3 | 84.7° | 65.0° |
| C10 | C11 | C8 | H6 | 36.2° | 55.0° |
| C10 | C11 | C8 | H7 | 154.5° | 175.0° |
| C11 | C10 | H8 | H9 | 120.0° | 120.1° |
| C11 | C10 | H8 | H10 | 120.0° | 120.0° |
| C11 | C10 | H9 | H10 | 120.0° | 120.0° |
| C11 | C8 | C3 | H6 | 120.8° | 120.0° |
| C11 | C8 | C3 | H7 | 120.8° | 120.0° |
| C11 | C8 | C3 | O3 | 135.9° | 180.0° |
| C11 | C8 | C3 | O2 | 63.8° | 0.0° |
| C11 | C8 | H6 | H7 | 117.4° | 120.1° |
| C8 | C11 | C10 | H8 | 50.2° | 60.0° |
| C8 | C11 | C10 | H9 | 69.8° | 60.0° |
| C8 | C11 | C10 | H10 | 170.2° | 179.9° |
| C8 | C3 | O3 | O2 | 160.7° | 180.0° |
| C8 | C3 | O3 | C5 | 149.9° | 180.0° |
| C3 | C8 | H6 | H7 | 117.5° | 119.9° |
| C3 | C8 | C11 | H12 | 159.9° | 55.0° |
| C3 | O3 | C5 | H3 | 180.0° | 179.9° |
| C3 | O3 | C5 | H4 | 60.0° | 60.0° |
| C3 | O3 | C5 | H5 | 60.0° | 60.0° |
| O3 | C3 | C8 | H6 | 103.2° | 60.0° |
| O3 | C3 | C8 | H7 | 15.1° | 59.9° |
| O2 | C3 | O3 | C5 | 10.8° | 0.0° |
| O2 | C3 | C8 | H6 | 57.0° | 120.0° |
| O2 | C3 | C8 | H7 | 175.4° | 120.0° |
| O3 | C5 | H3 | H4 | 120.0° | 120.0° |
| O3 | C5 | H3 | H5 | 120.0° | 120.0° |
| O3 | C5 | H4 | H5 | 120.0° | 119.9° |
| H3 | C5 | H4 | H5 | 120.0° | 120.1° |
| H6 | C8 | C11 | H12 | 79.2° | 175.0° |
| H7 | C8 | C11 | H12 | 39.1° | 65.0° |
| H8 | C10 | H9 | H10 | 120.0° | 120.0° |
| H8 | C10 | C11 | H12 | 65.2° | 60.0° |
| H9 | C10 | C11 | H12 | 174.8° | 179.9° |
| H10 | C10 | C11 | H12 | 54.8° | 60.0° |
