Z25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C1 | sing | 1.37Å | 1.42Å | |
| N1 | C1 | sing | 1.36Å | 1.36Å | |
| N1 | C4 | sing | 1.35Å | 1.37Å | |
| C1 | N2 | doub | 1.32Å | 1.35Å | |
| O1 | C4 | doub | 1.22Å | 1.37Å | |
| C4 | C3 | sing | 1.46Å | 1.41Å | |
| N2 | C2 | sing | 1.33Å | 1.37Å | |
| C3 | C2 | doub | 1.41Å | 1.42Å | |
| C3 | C6 | sing | 1.41Å | 1.46Å | |
| C2 | N3 | sing | 1.37Å | 1.34Å | |
| O2 | C6 | doub | 1.22Å | 1.38Å | |
| C6 | C5 | sing | 1.42Å | 1.42Å | |
| N3 | N4 | sing | 1.40Å | 1.34Å | |
| C5 | N4 | doub | 1.30Å | 1.34Å | |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| O3 | C9 | doub | 1.21Å | 1.29Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | O4 | sing | 1.34Å | 1.28Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| N5 | H7 | sing | 0.97Å | 1.00Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C1 | N1 | 120.2° | 118.5° |
| N5 | C1 | N2 | 118.0° | 118.5° |
| C1 | N5 | H7 | 120.0° | 120.0° |
| C1 | N5 | H8 | 120.0° | 120.0° |
| C1 | N1 | C4 | 120.3° | 120.2° |
| N1 | C1 | N2 | 121.6° | 123.0° |
| C1 | N1 | H9 | 119.9° | 119.9° |
| N1 | C4 | O1 | 119.9° | 121.2° |
| N1 | C4 | C3 | 120.7° | 117.5° |
| C4 | N1 | H9 | 119.9° | 119.9° |
| C1 | N2 | C2 | 119.6° | 121.7° |
| O1 | C4 | C3 | 119.4° | 121.3° |
| C4 | C3 | C2 | 116.2° | 118.5° |
| C4 | C3 | C6 | 124.3° | 122.2° |
| N2 | C2 | C3 | 121.3° | 119.2° |
| N2 | C2 | N3 | 120.4° | 121.7° |
| C2 | C3 | C6 | 119.4° | 119.3° |
| C3 | C2 | N3 | 118.2° | 119.1° |
| C3 | C6 | O2 | 122.2° | 120.8° |
| C3 | C6 | C5 | 117.6° | 118.5° |
| C2 | N3 | N4 | 122.1° | 120.5° |
| C2 | N3 | H6 | 119.0° | 119.8° |
| O2 | C6 | C5 | 120.1° | 120.8° |
| C6 | C5 | N4 | 117.8° | 120.6° |
| C6 | C5 | C7 | 124.0° | 119.7° |
| N3 | N4 | C5 | 124.9° | 122.0° |
| N4 | N3 | H6 | 119.0° | 119.7° |
| N4 | C5 | C7 | 118.1° | 119.7° |
| C5 | C7 | C8 | 117.9° | 109.4° |
| C5 | C7 | H4 | 107.3° | 109.5° |
| C5 | C7 | H5 | 107.3° | 109.6° |
| C7 | C8 | C9 | 115.8° | 109.5° |
| C7 | C8 | H2 | 107.8° | 109.5° |
| C7 | C8 | H3 | 107.9° | 109.4° |
| C8 | C7 | H4 | 107.4° | 109.4° |
| C8 | C7 | H5 | 107.4° | 109.4° |
| O3 | C9 | C8 | 120.7° | 120.0° |
| O3 | C9 | O4 | 117.4° | 120.0° |
| C8 | C9 | O4 | 119.3° | 120.0° |
| C9 | C8 | H2 | 107.9° | 109.5° |
| C9 | C8 | H3 | 107.8° | 109.5° |
| C9 | O4 | H1 | 109.5° | 117.0° |
| H2 | C8 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H7 | N5 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C1 | N1 | N2 | 174.9° | 180.0° |
| N5 | C1 | N1 | C4 | 179.3° | 180.0° |
| N5 | C1 | N2 | C2 | 179.1° | 180.0° |
| C1 | N5 | H7 | H8 | 180.0° | 179.9° |
| N5 | C1 | N1 | H9 | 0.6° | 0.0° |
| C1 | N1 | C4 | H9 | 180.0° | 180.0° |
| C1 | N1 | C4 | O1 | 176.5° | 180.0° |
| C1 | N1 | C4 | C3 | 3.0° | 0.0° |
| N1 | C1 | N2 | C2 | 4.1° | 0.0° |
| N1 | C1 | N5 | H7 | 175.0° | 180.0° |
| N1 | C1 | N5 | H8 | 5.0° | 0.1° |
| C4 | N1 | C1 | N2 | 5.8° | 0.0° |
| N1 | C4 | O1 | C3 | 179.5° | 180.0° |
| N1 | C4 | C3 | C2 | 1.1° | 0.0° |
| N1 | C4 | C3 | C6 | 178.4° | 180.0° |
| C1 | N2 | C2 | C3 | 0.2° | 0.0° |
| C1 | N2 | C2 | N3 | 176.8° | 179.7° |
| N2 | C1 | N5 | H7 | 0.0° | 0.0° |
| N2 | C1 | N5 | H8 | 180.0° | 179.9° |
| N2 | C1 | N1 | H9 | 174.3° | 180.0° |
| O1 | C4 | C3 | C2 | 179.4° | 180.0° |
| O1 | C4 | C3 | C6 | 2.2° | 0.0° |
| O1 | C4 | N1 | H9 | 3.5° | 0.0° |
| C4 | C3 | C2 | N2 | 2.7° | 0.0° |
| C4 | C3 | C2 | C6 | 177.4° | 180.0° |
| C4 | C3 | C2 | N3 | 179.4° | 179.8° |
| C4 | C3 | C6 | O2 | 1.5° | 0.1° |
| C4 | C3 | C6 | C5 | 179.5° | 180.0° |
| C3 | C4 | N1 | H9 | 177.0° | 180.0° |
| N2 | C2 | C3 | N3 | 176.7° | 179.7° |
| N2 | C2 | C3 | C6 | 179.9° | 180.0° |
| N2 | C2 | N3 | N4 | 179.0° | 179.8° |
| N2 | C2 | N3 | H6 | 0.9° | 0.2° |
| C2 | C3 | C6 | O2 | 175.6° | 179.9° |
| C2 | C3 | C6 | C5 | 2.3° | 0.0° |
| C3 | C2 | N3 | N4 | 2.3° | 0.5° |
| C3 | C2 | N3 | H6 | 177.7° | 180.0° |
| C6 | C3 | C2 | N3 | 3.2° | 0.2° |
| C3 | C6 | O2 | C5 | 177.9° | 180.0° |
| C3 | C6 | C5 | N4 | 0.6° | 0.0° |
| C3 | C6 | C5 | C7 | 176.7° | 179.7° |
| C2 | N3 | N4 | H6 | 180.0° | 179.6° |
| C2 | N3 | N4 | C5 | 0.5° | 0.5° |
| O2 | C6 | C5 | N4 | 177.4° | 179.9° |
| O2 | C6 | C5 | C7 | 1.3° | 0.3° |
| C6 | C5 | N4 | N3 | 0.3° | 0.2° |
| C6 | C5 | N4 | C7 | 176.3° | 179.7° |
| C6 | C5 | C7 | C8 | 92.5° | 179.7° |
| C6 | C5 | C7 | H4 | 146.2° | 60.3° |
| C6 | C5 | C7 | H5 | 28.7° | 59.7° |
| N3 | N4 | C5 | C7 | 176.0° | 179.9° |
| N4 | C5 | C7 | C8 | 83.5° | 0.0° |
| N4 | C5 | C7 | H4 | 37.7° | 120.0° |
| N4 | C5 | C7 | H5 | 155.2° | 119.9° |
| C5 | N4 | N3 | H6 | 179.4° | 179.9° |
| C5 | C7 | C8 | H4 | 121.2° | 120.0° |
| C5 | C7 | C8 | H5 | 121.2° | 120.1° |
| C5 | C7 | C8 | C9 | 94.9° | 180.0° |
| C5 | C7 | C8 | H2 | 26.0° | 60.0° |
| C5 | C7 | C8 | H3 | 144.2° | 60.0° |
| C5 | C7 | H4 | H5 | 116.2° | 120.1° |
| C7 | C8 | C9 | O3 | 94.0° | 0.0° |
| C7 | C8 | C9 | H2 | 120.9° | 120.0° |
| C7 | C8 | C9 | H3 | 120.9° | 120.0° |
| C7 | C8 | C9 | O4 | 67.4° | 179.7° |
| C7 | C8 | H2 | H3 | 117.1° | 120.0° |
| C8 | C7 | H4 | H5 | 116.2° | 119.9° |
| O3 | C9 | C8 | O4 | 161.4° | 179.7° |
| O3 | C9 | O4 | H1 | 0.0° | 0.0° |
| O3 | C9 | C8 | H2 | 26.9° | 120.0° |
| O3 | C9 | C8 | H3 | 145.1° | 120.0° |
| C8 | C9 | O4 | H1 | 162.0° | 179.7° |
| C9 | C8 | H2 | H3 | 117.1° | 120.0° |
| C9 | C8 | C7 | H4 | 143.9° | 60.0° |
| C9 | C8 | C7 | H5 | 26.3° | 60.0° |
| O4 | C9 | C8 | H2 | 171.7° | 60.3° |
| O4 | C9 | C8 | H3 | 53.5° | 59.8° |
| H2 | C8 | C7 | H4 | 95.2° | 180.0° |
| H2 | C8 | C7 | H5 | 147.2° | 60.0° |
| H3 | C8 | C7 | H4 | 23.0° | 60.0° |
| H3 | C8 | C7 | H5 | 94.6° | 179.9° |
