C4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.45Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| N2 | C2 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | N1 | sing | 1.46Å | 1.49Å | |
| N1 | N3 | doub | 1.12Å | 1.26Å | |
| N3 | N4 | doub | 1.12Å | 1.31Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C4 | 112.3° | 109.6° |
| O3 | C3 | C2 | 110.6° | 109.5° |
| O3 | C3 | H3 | 107.8° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O7 | C7 | C8 | 119.7° | 120.0° |
| O7 | C7 | N2 | 117.7° | 120.0° |
| C8 | C7 | N2 | 122.6° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.4° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C7 | N2 | C2 | 131.2° | 120.0° |
| C7 | N2 | HN2 | 114.4° | 120.0° |
| C4 | C3 | C2 | 112.4° | 109.1° |
| C3 | C4 | O4 | 108.0° | 109.5° |
| C3 | C4 | C5 | 112.5° | 109.2° |
| C4 | C3 | H3 | 106.6° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.4° |
| C3 | C2 | N2 | 112.3° | 109.6° |
| C3 | C2 | C1 | 111.5° | 109.2° |
| C3 | C2 | H2 | 105.9° | 109.5° |
| C2 | C3 | H3 | 106.8° | 109.5° |
| O4 | C4 | C5 | 107.1° | 109.6° |
| O4 | C4 | H4 | 110.9° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| N2 | C2 | C1 | 113.7° | 109.6° |
| N2 | C2 | H2 | 106.8° | 109.5° |
| C2 | N2 | HN2 | 114.4° | 120.0° |
| C4 | C5 | O5 | 110.3° | 109.4° |
| C4 | C5 | C6 | 113.3° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 107.1° | 109.4° |
| C2 | C1 | O5 | 109.1° | 109.4° |
| C2 | C1 | N1 | 111.8° | 109.5° |
| C1 | C2 | H2 | 105.9° | 109.5° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| O6 | C6 | C5 | 107.7° | 109.5° |
| O6 | C6 | H61 | 109.9° | 109.5° |
| O6 | C6 | H62 | 109.9° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O5 | C5 | C6 | 109.9° | 109.6° |
| C5 | O5 | C1 | 112.6° | 114.2° |
| O5 | C5 | H5 | 108.5° | 109.4° |
| C6 | C5 | H5 | 107.5° | 109.5° |
| C5 | C6 | H61 | 109.9° | 109.5° |
| C5 | C6 | H62 | 109.9° | 109.4° |
| O5 | C1 | N1 | 110.6° | 109.5° |
| O5 | C1 | H1 | 109.0° | 109.5° |
| C1 | N1 | N3 | 112.2° | 120.0° |
| N1 | C1 | H1 | 108.4° | 109.5° |
| N1 | N3 | N4 | 179.0° | 180.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C4 | C2 | 125.5° | 119.9° |
| O3 | C3 | C4 | H3 | 117.9° | 120.3° |
| O3 | C3 | C2 | H3 | 117.1° | 120.3° |
| O3 | C3 | C4 | O4 | 73.6° | 63.2° |
| O3 | C3 | C2 | N2 | 58.4° | 63.2° |
| O3 | C3 | C4 | C5 | 168.4° | 176.8° |
| O3 | C3 | C2 | C1 | 172.6° | 176.8° |
| O3 | C3 | C2 | H2 | 57.8° | 57.0° |
| O3 | C3 | C4 | H4 | 47.0° | 56.9° |
| O7 | C7 | C8 | N2 | 179.9° | 179.9° |
| O7 | C7 | N2 | C2 | 0.5° | 0.1° |
| O7 | C7 | C8 | H81 | 0.0° | 120.0° |
| O7 | C7 | C8 | H82 | 120.0° | 0.1° |
| O7 | C7 | C8 | H83 | 120.0° | 119.9° |
| O7 | C7 | N2 | HN2 | 179.5° | 180.0° |
| C8 | C7 | N2 | C2 | 179.4° | 180.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C7 | N2 | HN2 | 0.6° | 0.1° |
| C7 | N2 | C2 | C3 | 112.8° | 155.3° |
| C7 | N2 | C2 | HN2 | 180.0° | 179.9° |
| C7 | N2 | C2 | C1 | 119.4° | 84.9° |
| C7 | N2 | C2 | H2 | 2.9° | 35.2° |
| N2 | C7 | C8 | H81 | 179.9° | 60.1° |
| N2 | C7 | C8 | H82 | 59.9° | 180.0° |
| N2 | C7 | C8 | H83 | 60.1° | 60.0° |
| C4 | C3 | C2 | H3 | 116.5° | 119.8° |
| C3 | C4 | O4 | C5 | 121.4° | 119.8° |
| C3 | C4 | O4 | H4 | 119.5° | 120.0° |
| C4 | C3 | C2 | N2 | 175.3° | 176.9° |
| C3 | C4 | C5 | H4 | 121.3° | 119.8° |
| C4 | C3 | C2 | C1 | 46.3° | 56.9° |
| C3 | C4 | C5 | O5 | 49.8° | 57.5° |
| C3 | C4 | C5 | C6 | 173.5° | 177.6° |
| C4 | C3 | C2 | H2 | 68.5° | 63.0° |
| C3 | C4 | C5 | H5 | 68.2° | 62.4° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 160.9° | 176.9° |
| C3 | C2 | N2 | C1 | 127.8° | 119.8° |
| C3 | C2 | N2 | H2 | 115.7° | 120.1° |
| C2 | C3 | C4 | C5 | 42.9° | 56.9° |
| C3 | C2 | C1 | H2 | 114.8° | 119.9° |
| C3 | C2 | C1 | O5 | 56.4° | 57.5° |
| C3 | C2 | C1 | N1 | 179.1° | 177.5° |
| C2 | C3 | C4 | H4 | 78.4° | 63.0° |
| C3 | C2 | N2 | HN2 | 67.2° | 24.8° |
| C2 | C3 | O3 | HO3 | 53.6° | 179.6° |
| C3 | C2 | C1 | H1 | 61.8° | 62.4° |
| O4 | C4 | C5 | H4 | 120.1° | 120.2° |
| O4 | C4 | C5 | O5 | 168.3° | 177.5° |
| O4 | C4 | C5 | C6 | 67.9° | 62.4° |
| O4 | C4 | C3 | H3 | 44.2° | 57.1° |
| O4 | C4 | C5 | H5 | 50.4° | 57.6° |
| N2 | C2 | C1 | H2 | 117.0° | 120.1° |
| N2 | C2 | C1 | O5 | 175.3° | 177.6° |
| N2 | C2 | C1 | N1 | 52.7° | 62.4° |
| N2 | C2 | C3 | H3 | 58.7° | 57.1° |
| N2 | C2 | C1 | H1 | 66.4° | 57.6° |
| C4 | C5 | C6 | O6 | 69.9° | 175.0° |
| C4 | C5 | O5 | C6 | 125.7° | 120.0° |
| C4 | C5 | O5 | H5 | 117.1° | 119.9° |
| C4 | C5 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | O5 | C1 | 62.6° | 61.1° |
| C5 | C4 | C3 | H3 | 73.8° | 62.9° |
| C4 | C5 | C6 | H61 | 49.8° | 55.0° |
| C4 | C5 | C6 | H62 | 170.4° | 65.1° |
| C5 | C4 | O4 | HO4 | 58.6° | 60.2° |
| C2 | C1 | O5 | C5 | 66.1° | 61.2° |
| C2 | C1 | O5 | N1 | 123.3° | 120.0° |
| C2 | C1 | O5 | H1 | 117.6° | 120.0° |
| C2 | C1 | N1 | H1 | 118.8° | 120.0° |
| C2 | C1 | N1 | N3 | 177.0° | 120.0° |
| C1 | C2 | C3 | H3 | 70.3° | 62.9° |
| C1 | C2 | N2 | HN2 | 60.6° | 95.0° |
| O6 | C6 | C5 | O5 | 54.1° | 65.0° |
| O6 | C6 | C5 | H61 | 119.7° | 120.0° |
| O6 | C6 | C5 | H62 | 119.7° | 119.9° |
| O6 | C6 | C5 | H5 | 172.0° | 55.0° |
| O6 | C6 | H61 | H62 | 120.8° | 119.9° |
| O5 | C5 | C6 | H5 | 117.9° | 120.0° |
| C5 | O5 | C1 | N1 | 170.5° | 178.9° |
| O5 | C5 | C4 | H4 | 71.5° | 62.3° |
| O5 | C5 | C6 | H61 | 173.8° | 175.0° |
| O5 | C5 | C6 | H62 | 65.6° | 54.9° |
| C5 | O5 | C1 | H1 | 51.4° | 58.8° |
| C6 | C5 | O5 | C1 | 171.7° | 178.9° |
| C6 | C5 | C4 | H4 | 52.2° | 57.8° |
| C5 | C6 | H61 | H62 | 120.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C1 | N1 | H1 | 119.4° | 120.0° |
| O5 | C1 | N1 | N3 | 61.2° | 120.1° |
| O5 | C1 | C2 | H2 | 58.3° | 62.3° |
| C1 | O5 | C5 | H5 | 54.5° | 58.8° |
| C1 | N1 | N3 | N4 | 165.1° | 6.1° |
| N1 | C1 | C2 | H2 | 64.3° | 57.7° |
| N3 | N1 | C1 | H1 | 58.2° | 0.0° |
| H2 | C2 | C3 | H3 | 175.0° | 177.2° |
| H2 | C2 | N2 | HN2 | 177.1° | 144.9° |
| H2 | C2 | C1 | H1 | 176.6° | 177.7° |
| H3 | C3 | C4 | H4 | 164.9° | 177.2° |
| H3 | C3 | O3 | HO3 | 62.9° | 60.2° |
| H4 | C4 | C5 | H5 | 170.5° | 177.8° |
| H4 | C4 | O4 | HO4 | 60.5° | 60.0° |
| H5 | C5 | C6 | H61 | 68.3° | 65.0° |
| H5 | C5 | C6 | H62 | 52.3° | 174.9° |
| H61 | C6 | O6 | HO6 | 60.2° | 60.0° |
| H62 | C6 | O6 | HO6 | 60.3° | 60.1° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
