7GD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C03 | doub | 1.38Å | 1.50Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.50Å | Aromatic |
| N14 | C10 | doub | 1.33Å | 1.51Å | Aromatic |
| N14 | C11 | sing | 1.32Å | 1.44Å | Aromatic |
| N16 | C10 | sing | 1.35Å | 1.38Å | Aromatic |
| N16 | N15 | doub | 1.29Å | 1.40Å | Aromatic |
| C03 | C05 | sing | 1.38Å | 1.49Å | Aromatic |
| N17 | C11 | sing | 1.39Å | 1.43Å | |
| C02 | C04 | doub | 1.38Å | 1.49Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C06 | doub | 1.40Å | 1.46Å | Aromatic |
| N15 | N13 | sing | 1.29Å | 1.39Å | Aromatic |
| C05 | C07 | doub | 1.38Å | 1.51Å | Aromatic |
| C09 | N13 | sing | 1.37Å | 1.37Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.53Å | Aromatic |
| C04 | C07 | sing | 1.38Å | 1.50Å | Aromatic |
| C06 | C08 | sing | 1.37Å | 1.44Å | Aromatic |
| C07 | C12 | sing | 1.51Å | 1.50Å | |
| C08 | C12 | sing | 1.51Å | 1.52Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N13 | H9 | sing | 0.97Å | 1.00Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C01 | C02 | 119.6° | 120.0° |
| C01 | C03 | C05 | 120.0° | 120.0° |
| C03 | C01 | H3 | 120.2° | 120.0° |
| C01 | C03 | H5 | 120.0° | 120.0° |
| C01 | C02 | C04 | 120.6° | 120.0° |
| C02 | C01 | H3 | 120.2° | 120.0° |
| C01 | C02 | H4 | 119.7° | 120.0° |
| C10 | N14 | C11 | 119.4° | 121.2° |
| N14 | C10 | N16 | 130.7° | 134.4° |
| N14 | C10 | C09 | 120.0° | 120.1° |
| N14 | C11 | N17 | 121.0° | 119.4° |
| N14 | C11 | C06 | 120.7° | 121.3° |
| C10 | N16 | N15 | 105.4° | 109.3° |
| N16 | C10 | C09 | 109.3° | 105.5° |
| N16 | N15 | N13 | 110.8° | 111.7° |
| C03 | C05 | C07 | 120.4° | 120.0° |
| C03 | C05 | H1 | 119.8° | 120.0° |
| C05 | C03 | H5 | 120.0° | 120.0° |
| N17 | C11 | C06 | 118.3° | 119.4° |
| C11 | N17 | H10 | 109.5° | 120.0° |
| C11 | N17 | H11 | 109.4° | 120.0° |
| C02 | C04 | C07 | 119.8° | 120.0° |
| C04 | C02 | H4 | 119.7° | 120.0° |
| C02 | C04 | H6 | 120.1° | 120.0° |
| C10 | C09 | N13 | 107.7° | 105.4° |
| C10 | C09 | C08 | 120.4° | 119.5° |
| C11 | C06 | C08 | 121.5° | 119.6° |
| C11 | C06 | H2 | 119.2° | 120.1° |
| N15 | N13 | C09 | 106.8° | 108.0° |
| N15 | N13 | H9 | 126.6° | 125.9° |
| C05 | C07 | C04 | 119.5° | 120.0° |
| C05 | C07 | C12 | 120.6° | 120.0° |
| C07 | C05 | H1 | 119.8° | 120.0° |
| N13 | C09 | C08 | 131.9° | 135.1° |
| C09 | N13 | H9 | 126.6° | 126.0° |
| C09 | C08 | C06 | 118.0° | 118.3° |
| C09 | C08 | C12 | 123.5° | 120.8° |
| C04 | C07 | C12 | 119.6° | 120.0° |
| C07 | C04 | H6 | 120.1° | 120.0° |
| C06 | C08 | C12 | 118.4° | 120.8° |
| C08 | C06 | H2 | 119.2° | 120.2° |
| C07 | C12 | C08 | 109.3° | 109.4° |
| C07 | C12 | H7 | 109.5° | 109.4° |
| C07 | C12 | H8 | 109.5° | 109.5° |
| C08 | C12 | H7 | 109.5° | 109.5° |
| C08 | C12 | H8 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.4° | 109.5° |
| H10 | N17 | H11 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C01 | C02 | H3 | 180.0° | 180.0° |
| C01 | C03 | C05 | H5 | 180.0° | 180.0° |
| C03 | C01 | C02 | C04 | 1.4° | 0.3° |
| C01 | C03 | C05 | C07 | 0.8° | 0.1° |
| C01 | C03 | C05 | H1 | 179.2° | 179.8° |
| C03 | C01 | C02 | H4 | 178.6° | 180.0° |
| C02 | C01 | C03 | C05 | 0.6° | 0.0° |
| C01 | C02 | C04 | H4 | 180.0° | 179.7° |
| C01 | C02 | C04 | C07 | 2.4° | 0.5° |
| C02 | C01 | C03 | H5 | 179.4° | 180.0° |
| C01 | C02 | C04 | H6 | 177.7° | 180.0° |
| N14 | C10 | N16 | C09 | 179.8° | 179.3° |
| N14 | C10 | N16 | N15 | 178.3° | 179.3° |
| C10 | N14 | C11 | N17 | 179.0° | 179.4° |
| C10 | N14 | C11 | C06 | 1.3° | 0.6° |
| N14 | C10 | C09 | N13 | 178.8° | 179.4° |
| N14 | C10 | C09 | C08 | 0.7° | 0.5° |
| C11 | N14 | C10 | N16 | 178.4° | 180.0° |
| N14 | C11 | N17 | C06 | 179.8° | 180.0° |
| C11 | N14 | C10 | C09 | 1.4° | 0.9° |
| N14 | C11 | C06 | C08 | 0.5° | 0.0° |
| N14 | C11 | C06 | H2 | 179.4° | 179.7° |
| N14 | C11 | N17 | H10 | 0.0° | 0.0° |
| N14 | C11 | N17 | H11 | 120.0° | 180.0° |
| C10 | N16 | N15 | N13 | 1.7° | 0.1° |
| N16 | C10 | C09 | N13 | 1.4° | 0.0° |
| N16 | C10 | C09 | C08 | 179.2° | 179.9° |
| N15 | N16 | C10 | C09 | 1.9° | 0.1° |
| N16 | N15 | N13 | C09 | 0.9° | 0.1° |
| N16 | N15 | N13 | H9 | 179.1° | 179.9° |
| C03 | C05 | C07 | H1 | 180.0° | 179.8° |
| C03 | C05 | C07 | C04 | 1.7° | 0.2° |
| C03 | C05 | C07 | C12 | 175.5° | 179.7° |
| C05 | C03 | C01 | H3 | 179.4° | 180.0° |
| N17 | C11 | C06 | C08 | 179.7° | 180.0° |
| N17 | C11 | C06 | H2 | 0.3° | 0.3° |
| C11 | N17 | H10 | H11 | 120.0° | 180.0° |
| C02 | C04 | C07 | C05 | 2.5° | 0.5° |
| C02 | C04 | C07 | H6 | 180.0° | 179.5° |
| C02 | C04 | C07 | C12 | 176.3° | 179.4° |
| C04 | C02 | C01 | H3 | 178.6° | 179.7° |
| C10 | C09 | N13 | N15 | 0.3° | 0.0° |
| C10 | C09 | N13 | C08 | 179.4° | 180.0° |
| C10 | C09 | C08 | C06 | 0.1° | 0.0° |
| C10 | C09 | C08 | C12 | 179.9° | 180.0° |
| C10 | C09 | N13 | H9 | 179.7° | 179.9° |
| C11 | C06 | C08 | C09 | 0.2° | 0.3° |
| C11 | C06 | C08 | H2 | 180.0° | 179.7° |
| C11 | C06 | C08 | C12 | 180.0° | 179.7° |
| C06 | C11 | N17 | H10 | 179.8° | 180.0° |
| C06 | C11 | N17 | H11 | 60.3° | 0.0° |
| N15 | N13 | C09 | H9 | 180.0° | 180.0° |
| N15 | N13 | C09 | C08 | 179.6° | 180.0° |
| C05 | C07 | C04 | C12 | 173.8° | 179.9° |
| C05 | C07 | C12 | C08 | 72.7° | 90.0° |
| C07 | C05 | C03 | H5 | 179.2° | 180.0° |
| C05 | C07 | C04 | H6 | 177.5° | 180.0° |
| C05 | C07 | C12 | H7 | 167.3° | 150.0° |
| C05 | C07 | C12 | H8 | 47.3° | 30.0° |
| N13 | C09 | C08 | C06 | 179.4° | 180.0° |
| N13 | C09 | C08 | C12 | 0.7° | 0.0° |
| C09 | C08 | C06 | C12 | 179.9° | 180.0° |
| C09 | C08 | C12 | C07 | 94.7° | 85.0° |
| C09 | C08 | C06 | H2 | 179.8° | 180.0° |
| C09 | C08 | C12 | H7 | 25.3° | 34.9° |
| C09 | C08 | C12 | H8 | 145.3° | 155.0° |
| C08 | C09 | N13 | H9 | 0.3° | 0.0° |
| C04 | C07 | C12 | C08 | 101.0° | 90.1° |
| C04 | C07 | C05 | H1 | 178.3° | 180.0° |
| C07 | C04 | C02 | H4 | 177.6° | 179.8° |
| C04 | C07 | C12 | H7 | 19.0° | 29.9° |
| C04 | C07 | C12 | H8 | 139.0° | 149.9° |
| C06 | C08 | C12 | C07 | 85.4° | 95.0° |
| C06 | C08 | C12 | H7 | 154.6° | 145.0° |
| C06 | C08 | C12 | H8 | 34.5° | 25.0° |
| C07 | C12 | C08 | H7 | 120.0° | 120.0° |
| C07 | C12 | C08 | H8 | 120.0° | 120.0° |
| C12 | C07 | C05 | H1 | 4.6° | 0.1° |
| C12 | C07 | C04 | H6 | 3.7° | 0.1° |
| C07 | C12 | H7 | H8 | 120.1° | 120.0° |
| C12 | C08 | C06 | H2 | 0.0° | 0.1° |
| C08 | C12 | H7 | H8 | 120.1° | 120.1° |
| H1 | C05 | C03 | H5 | 0.8° | 0.2° |
| H3 | C01 | C02 | H4 | 1.4° | 0.0° |
| H3 | C01 | C03 | H5 | 0.6° | 0.0° |
| H4 | C02 | C04 | H6 | 2.4° | 0.3° |
