0J4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C1 | sing | 1.37Å | 1.43Å | |
| N1 | C1 | sing | 1.36Å | 1.33Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C1 | N2 | doub | 1.31Å | 1.34Å | |
| O1 | C4 | doub | 1.22Å | 1.41Å | |
| C4 | C3 | sing | 1.46Å | 1.41Å | |
| N2 | C2 | sing | 1.33Å | 1.34Å | |
| C3 | C2 | doub | 1.41Å | 1.39Å | |
| C3 | C6 | sing | 1.41Å | 1.43Å | |
| C2 | N3 | sing | 1.37Å | 1.31Å | |
| C6 | O2 | doub | 1.22Å | 1.40Å | |
| C6 | C5 | sing | 1.42Å | 1.40Å | |
| N3 | N4 | sing | 1.40Å | 1.32Å | |
| N4 | C5 | doub | 1.30Å | 1.33Å | |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C10 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| O3 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | O4 | sing | 1.34Å | 1.26Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| N5 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C1 | N1 | 120.5° | 118.5° |
| N5 | C1 | N2 | 119.4° | 118.5° |
| C1 | N5 | H1 | 120.0° | 120.0° |
| C1 | N5 | H2 | 120.0° | 120.0° |
| C1 | N1 | C4 | 122.2° | 120.2° |
| N1 | C1 | N2 | 120.1° | 123.0° |
| C1 | N1 | H4 | 118.9° | 119.9° |
| N1 | C4 | O1 | 119.2° | 121.3° |
| N1 | C4 | C3 | 118.4° | 117.4° |
| C4 | N1 | H4 | 118.9° | 119.9° |
| C1 | N2 | C2 | 121.4° | 121.7° |
| O1 | C4 | C3 | 122.4° | 121.3° |
| C4 | C3 | C2 | 118.5° | 118.5° |
| C4 | C3 | C6 | 125.1° | 122.2° |
| N2 | C2 | C3 | 119.4° | 119.2° |
| N2 | C2 | N3 | 119.0° | 121.7° |
| C2 | C3 | C6 | 116.4° | 119.3° |
| C3 | C2 | N3 | 121.6° | 119.1° |
| C3 | C6 | O2 | 121.6° | 120.7° |
| C3 | C6 | C5 | 118.2° | 118.5° |
| C2 | N3 | N4 | 122.2° | 120.5° |
| C2 | N3 | H3 | 118.9° | 119.8° |
| O2 | C6 | C5 | 120.1° | 120.8° |
| C6 | C5 | N4 | 120.3° | 120.5° |
| C6 | C5 | C7 | 120.3° | 119.7° |
| N3 | N4 | C5 | 121.3° | 122.0° |
| N4 | N3 | H3 | 118.9° | 119.7° |
| N4 | C5 | C7 | 119.4° | 119.7° |
| C5 | C7 | C10 | 109.6° | 109.5° |
| C5 | C7 | C8 | 117.3° | 109.5° |
| C5 | C7 | H5 | 107.8° | 109.5° |
| C10 | C7 | C8 | 105.4° | 109.4° |
| C10 | C7 | H5 | 108.1° | 109.4° |
| C7 | C10 | H6 | 109.5° | 109.5° |
| C7 | C10 | H7 | 109.5° | 109.4° |
| C7 | C10 | H8 | 109.5° | 109.4° |
| C7 | C8 | O3 | 119.8° | 120.0° |
| C7 | C8 | O4 | 120.2° | 120.0° |
| C8 | C7 | H5 | 108.4° | 109.5° |
| O3 | C8 | O4 | 119.2° | 120.0° |
| C8 | O4 | H9 | 109.5° | 117.0° |
| H1 | N5 | H2 | 120.0° | 120.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C1 | N1 | N2 | 179.0° | 180.0° |
| N5 | C1 | N1 | C4 | 179.4° | 179.9° |
| N5 | C1 | N2 | C2 | 179.8° | 180.0° |
| C1 | N5 | H1 | H2 | 179.9° | 180.0° |
| N5 | C1 | N1 | H4 | 0.6° | 0.0° |
| C1 | N1 | C4 | H4 | 180.0° | 180.0° |
| C1 | N1 | C4 | O1 | 177.5° | 180.0° |
| C1 | N1 | C4 | C3 | 1.0° | 0.2° |
| N1 | C1 | N2 | C2 | 1.1° | 0.0° |
| N1 | C1 | N5 | H1 | 179.1° | 0.0° |
| N1 | C1 | N5 | H2 | 1.0° | 179.9° |
| C4 | N1 | C1 | N2 | 1.5° | 0.1° |
| N1 | C4 | O1 | C3 | 178.4° | 179.8° |
| N1 | C4 | C3 | C2 | 0.2° | 0.5° |
| N1 | C4 | C3 | C6 | 179.5° | 179.8° |
| C1 | N2 | C2 | C3 | 0.3° | 0.3° |
| C1 | N2 | C2 | N3 | 179.1° | 180.0° |
| N2 | C1 | N5 | H1 | 0.0° | 180.0° |
| N2 | C1 | N5 | H2 | 180.0° | 0.0° |
| N2 | C1 | N1 | H4 | 178.4° | 180.0° |
| O1 | C4 | C3 | C2 | 178.3° | 179.7° |
| O1 | C4 | C3 | C6 | 2.0° | 0.1° |
| O1 | C4 | N1 | H4 | 2.6° | 0.0° |
| C4 | C3 | C2 | N2 | 0.2° | 0.5° |
| C4 | C3 | C2 | C6 | 179.7° | 179.8° |
| C4 | C3 | C2 | N3 | 179.5° | 179.8° |
| C4 | C3 | C6 | O2 | 1.8° | 0.1° |
| C4 | C3 | C6 | C5 | 179.8° | 180.0° |
| C3 | C4 | N1 | H4 | 178.9° | 179.8° |
| N2 | C2 | C3 | N3 | 179.4° | 179.7° |
| N2 | C2 | C3 | C6 | 179.9° | 179.7° |
| N2 | C2 | N3 | N4 | 180.0° | 180.0° |
| N2 | C2 | N3 | H3 | 0.1° | 0.0° |
| C2 | C3 | C6 | O2 | 177.9° | 179.7° |
| C2 | C3 | C6 | C5 | 0.5° | 0.3° |
| C3 | C2 | N3 | N4 | 0.7° | 0.2° |
| C3 | C2 | N3 | H3 | 179.3° | 179.7° |
| C6 | C3 | C2 | N3 | 0.8° | 0.0° |
| C3 | C6 | O2 | C5 | 178.3° | 180.0° |
| C3 | C6 | C5 | N4 | 0.1° | 0.9° |
| C3 | C6 | C5 | C7 | 179.1° | 180.0° |
| C2 | N3 | N4 | H3 | 180.0° | 180.0° |
| C2 | N3 | N4 | C5 | 0.3° | 0.9° |
| O2 | C6 | C5 | N4 | 178.3° | 179.1° |
| O2 | C6 | C5 | C7 | 0.7° | 0.0° |
| C6 | C5 | N4 | N3 | 0.0° | 1.2° |
| C6 | C5 | N4 | C7 | 179.0° | 179.1° |
| C6 | C5 | C7 | C10 | 63.3° | 175.0° |
| C6 | C5 | C7 | C8 | 56.7° | 65.0° |
| C6 | C5 | C7 | H5 | 179.2° | 55.0° |
| N3 | N4 | C5 | C7 | 179.0° | 179.7° |
| N4 | C5 | C7 | C10 | 117.7° | 4.1° |
| N4 | C5 | C7 | C8 | 122.3° | 115.8° |
| N4 | C5 | C7 | H5 | 0.2° | 124.1° |
| C5 | N4 | N3 | H3 | 179.7° | 179.1° |
| C5 | C7 | C10 | C8 | 127.0° | 120.0° |
| C5 | C7 | C10 | H5 | 117.3° | 120.1° |
| C5 | C7 | C8 | H5 | 122.3° | 120.1° |
| C5 | C7 | C8 | O3 | 112.6° | 0.1° |
| C5 | C7 | C8 | O4 | 57.7° | 180.0° |
| C5 | C7 | C10 | H6 | 180.0° | 180.0° |
| C5 | C7 | C10 | H7 | 60.0° | 60.0° |
| C5 | C7 | C10 | H8 | 60.0° | 59.9° |
| C10 | C7 | C8 | H5 | 115.5° | 119.9° |
| C10 | C7 | C8 | O3 | 9.6° | 120.1° |
| C10 | C7 | C8 | O4 | 180.0° | 60.0° |
| C7 | C10 | H6 | H7 | 120.0° | 119.9° |
| C7 | C10 | H6 | H8 | 120.0° | 120.0° |
| C7 | C10 | H7 | H8 | 120.0° | 119.9° |
| C7 | C8 | O3 | O4 | 170.5° | 180.0° |
| C8 | C7 | C10 | H6 | 53.0° | 60.0° |
| C8 | C7 | C10 | H7 | 173.0° | 180.0° |
| C8 | C7 | C10 | H8 | 67.1° | 60.0° |
| C7 | C8 | O4 | H9 | 170.4° | 180.0° |
| O3 | C8 | C7 | H5 | 125.1° | 120.0° |
| O3 | C8 | O4 | H9 | 0.0° | 0.0° |
| O4 | C8 | C7 | H5 | 64.5° | 60.0° |
| H5 | C7 | C10 | H6 | 62.7° | 59.9° |
| H5 | C7 | C10 | H7 | 57.3° | 60.1° |
| H5 | C7 | C10 | H8 | 177.2° | 180.0° |
| H6 | C10 | H7 | H8 | 120.0° | 120.1° |
