7ZC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N7 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.41Å | Aromatic |
| N7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C9 | C14 | sing | 1.47Å | 1.45Å | Aromatic |
| C12 | N11 | sing | 1.47Å | 1.43Å | |
| C6 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| N11 | C13 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.40Å | 1.46Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.43Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | H6 | sing | 0.97Å | 1.00Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C8 | C9 | 109.5° | 109.9° |
| C8 | N7 | C6 | 109.3° | 109.8° |
| C8 | N7 | H6 | 125.4° | 125.1° |
| N7 | C8 | H7 | 125.3° | 125.0° |
| C8 | C9 | C10 | 123.0° | 126.5° |
| C8 | C9 | C14 | 106.2° | 107.0° |
| C9 | C8 | H7 | 125.2° | 125.1° |
| N7 | C6 | C14 | 108.6° | 107.2° |
| N7 | C6 | C5 | 130.8° | 133.4° |
| C6 | N7 | H6 | 125.4° | 125.1° |
| C9 | C10 | N11 | 116.0° | 109.5° |
| C10 | C9 | C14 | 130.9° | 126.5° |
| C9 | C10 | H8 | 107.8° | 109.5° |
| C9 | C10 | H9 | 107.8° | 109.5° |
| C10 | N11 | C12 | 115.3° | 111.0° |
| C10 | N11 | C13 | 111.7° | 111.0° |
| N11 | C10 | H8 | 107.8° | 109.4° |
| N11 | C10 | H9 | 107.8° | 109.5° |
| C9 | C14 | C6 | 106.4° | 106.1° |
| C9 | C14 | C15 | 134.2° | 133.9° |
| C12 | N11 | C13 | 108.6° | 111.0° |
| N11 | C12 | H11 | 109.5° | 109.5° |
| N11 | C12 | H12 | 109.5° | 109.4° |
| N11 | C12 | H13 | 109.5° | 109.4° |
| C14 | C6 | C5 | 120.6° | 119.5° |
| C6 | C14 | C15 | 119.4° | 120.0° |
| C6 | C5 | C4 | 119.0° | 120.0° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| N11 | C13 | H14 | 109.5° | 109.5° |
| N11 | C13 | H15 | 109.5° | 109.5° |
| N11 | C13 | H16 | 109.4° | 109.4° |
| C14 | C15 | C3 | 121.1° | 119.6° |
| C14 | C15 | H17 | 119.4° | 120.2° |
| C5 | C4 | C3 | 121.4° | 120.6° |
| C5 | C4 | H4 | 119.3° | 119.7° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C15 | C3 | C4 | 118.5° | 120.3° |
| C15 | C3 | O2 | 119.2° | 119.8° |
| C3 | C15 | H17 | 119.4° | 120.2° |
| C4 | C3 | O2 | 122.3° | 119.9° |
| C3 | C4 | H4 | 119.3° | 119.7° |
| C3 | O2 | C1 | 118.6° | 117.0° |
| O2 | C1 | H1 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.5° | 109.5° |
| O2 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | N7 | C6 | H6 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 179.7° | 180.0° |
| N7 | C8 | C9 | C14 | 0.0° | 0.0° |
| C8 | N7 | C6 | C14 | 0.3° | 0.0° |
| C8 | N7 | C6 | C5 | 179.6° | 179.7° |
| C9 | C8 | N7 | C6 | 0.2° | 0.0° |
| C8 | C9 | C10 | C14 | 179.5° | 180.0° |
| C8 | C9 | C10 | N11 | 176.1° | 100.0° |
| C8 | C9 | C14 | C6 | 0.1° | 0.0° |
| C8 | C9 | C14 | C15 | 179.9° | 179.9° |
| C9 | C8 | N7 | H6 | 179.8° | 180.0° |
| C8 | C9 | C10 | H8 | 62.9° | 19.9° |
| C8 | C9 | C10 | H9 | 55.2° | 139.9° |
| N7 | C6 | C14 | C9 | 0.2° | 0.0° |
| N7 | C6 | C14 | C5 | 179.4° | 179.7° |
| N7 | C6 | C14 | C15 | 179.9° | 179.9° |
| N7 | C6 | C5 | C4 | 179.8° | 179.7° |
| N7 | C6 | C5 | H5 | 0.3° | 0.3° |
| C6 | N7 | C8 | H7 | 179.8° | 180.0° |
| C9 | C10 | N11 | H8 | 121.0° | 120.0° |
| C9 | C10 | N11 | H9 | 120.9° | 120.0° |
| C9 | C10 | N11 | C12 | 154.7° | 170.0° |
| C10 | C9 | C14 | C6 | 179.5° | 180.0° |
| C9 | C10 | N11 | C13 | 80.8° | 66.0° |
| C10 | C9 | C14 | C15 | 0.3° | 0.1° |
| C10 | C9 | C8 | H7 | 0.3° | 0.0° |
| C9 | C10 | H8 | H9 | 117.1° | 120.0° |
| N11 | C10 | C9 | C14 | 3.4° | 80.0° |
| C10 | N11 | C12 | C13 | 126.1° | 123.9° |
| N11 | C10 | H8 | H9 | 117.0° | 120.0° |
| C10 | N11 | C12 | H11 | 180.0° | 60.0° |
| C10 | N11 | C12 | H12 | 60.0° | 180.0° |
| C10 | N11 | C12 | H13 | 60.0° | 60.0° |
| C10 | N11 | C13 | H14 | 180.0° | 60.0° |
| C10 | N11 | C13 | H15 | 60.0° | 180.0° |
| C10 | N11 | C13 | H16 | 60.0° | 60.0° |
| C9 | C14 | C6 | C15 | 179.9° | 179.9° |
| C9 | C14 | C6 | C5 | 179.6° | 179.7° |
| C9 | C14 | C15 | C3 | 179.9° | 179.5° |
| C14 | C9 | C8 | H7 | 180.0° | 180.0° |
| C14 | C9 | C10 | H8 | 117.6° | 160.0° |
| C14 | C9 | C10 | H9 | 124.3° | 40.0° |
| C9 | C14 | C15 | H17 | 0.1° | 0.1° |
| C12 | N11 | C10 | H8 | 84.3° | 50.0° |
| C12 | N11 | C10 | H9 | 33.8° | 69.9° |
| N11 | C12 | H11 | H12 | 120.0° | 120.0° |
| N11 | C12 | H11 | H13 | 120.0° | 120.0° |
| N11 | C12 | H12 | H13 | 120.0° | 119.9° |
| C12 | N11 | C13 | H14 | 51.8° | 176.1° |
| C12 | N11 | C13 | H15 | 171.9° | 56.1° |
| C12 | N11 | C13 | H16 | 68.2° | 63.9° |
| C14 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C14 | C15 | C3 | 0.1° | 0.4° |
| C14 | C6 | C5 | H5 | 179.5° | 180.0° |
| C14 | C6 | N7 | H6 | 179.7° | 180.0° |
| C6 | C14 | C15 | H17 | 179.9° | 180.0° |
| C5 | C6 | C14 | C15 | 0.5° | 0.2° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | N7 | H6 | 0.4° | 0.3° |
| C13 | N11 | C10 | H8 | 40.2° | 174.0° |
| C13 | N11 | C10 | H9 | 158.3° | 54.0° |
| C13 | N11 | C12 | H11 | 53.9° | 63.9° |
| C13 | N11 | C12 | H12 | 66.1° | 56.1° |
| C13 | N11 | C12 | H13 | 173.9° | 176.0° |
| N11 | C13 | H14 | H15 | 120.0° | 120.0° |
| N11 | C13 | H14 | H16 | 120.0° | 120.0° |
| N11 | C13 | H15 | H16 | 120.0° | 120.0° |
| C14 | C15 | C3 | H17 | 180.0° | 179.6° |
| C14 | C15 | C3 | C4 | 0.4° | 0.4° |
| C14 | C15 | C3 | O2 | 179.6° | 179.8° |
| C5 | C4 | C3 | C15 | 0.4° | 0.2° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | O2 | 179.6° | 180.0° |
| C15 | C3 | C4 | O2 | 180.0° | 179.8° |
| C15 | C3 | O2 | C1 | 110.0° | 179.8° |
| C15 | C3 | C4 | H4 | 179.6° | 179.8° |
| C4 | C3 | O2 | C1 | 70.0° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C3 | C15 | H17 | 179.6° | 180.0° |
| C3 | O2 | C1 | H1 | 180.0° | 59.9° |
| C3 | O2 | C1 | H2 | 60.0° | 180.0° |
| C3 | O2 | C1 | H3 | 60.0° | 60.0° |
| O2 | C3 | C4 | H4 | 0.4° | 0.0° |
| O2 | C3 | C15 | H17 | 0.4° | 0.2° |
| O2 | C1 | H1 | H2 | 120.0° | 120.1° |
| O2 | C1 | H1 | H3 | 120.0° | 119.9° |
| O2 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H6 | N7 | C8 | H7 | 0.2° | 0.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
