3RZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C9 | sing | 1.51Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N2 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| N4 | C3 | sing | 1.38Å | 1.40Å | |
| C3 | C5 | doub | 1.42Å | 1.38Å | Aromatic |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| N8 | C6 | doub | 1.34Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.39Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.48Å | |
| C7 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | N8 | sing | 1.31Å | 1.33Å | Aromatic |
| C12 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | C13 | sing | 1.35Å | 1.38Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| N15 | C16 | sing | 1.40Å | 1.39Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N20 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.37Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | N19 | sing | 1.35Å | 1.36Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N19 | N20 | sing | 1.40Å | 1.34Å | Aromatic |
| N19 | HN19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | H1 | 109.5° | 109.5° |
| C9 | C1 | H1A | 109.5° | 109.5° |
| C9 | C1 | H1B | 109.5° | 109.5° |
| C1 | C9 | N2 | 116.5° | 118.6° |
| C1 | C9 | N8 | 116.3° | 118.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| C9 | N2 | C3 | 115.7° | 121.4° |
| N2 | C9 | N8 | 127.2° | 122.9° |
| N2 | C3 | N4 | 118.3° | 120.9° |
| N2 | C3 | C5 | 121.6° | 118.2° |
| N4 | C3 | C5 | 120.1° | 120.9° |
| C3 | N4 | HN4 | 109.5° | 120.0° |
| C3 | N4 | HN4A | 109.5° | 120.0° |
| C3 | C5 | C6 | 118.4° | 118.1° |
| C3 | C5 | C12 | 120.3° | 122.0° |
| HN4 | N4 | HN4A | 109.5° | 119.9° |
| C6 | C5 | C12 | 121.3° | 119.9° |
| C5 | C6 | N8 | 120.4° | 118.8° |
| C5 | C6 | C7 | 117.2° | 119.2° |
| C5 | C12 | C10 | 120.7° | 120.0° |
| C5 | C12 | H12 | 119.7° | 120.0° |
| N8 | C6 | C7 | 122.4° | 122.0° |
| C6 | N8 | C9 | 116.6° | 120.5° |
| C6 | C7 | C13 | 122.7° | 120.4° |
| C6 | C7 | C11 | 121.5° | 119.2° |
| C13 | C7 | C11 | 115.8° | 120.4° |
| C7 | C13 | N15 | 115.8° | 120.0° |
| C7 | C13 | O14 | 118.6° | 119.9° |
| C7 | C11 | C10 | 120.4° | 120.7° |
| C7 | C11 | H11 | 119.8° | 119.7° |
| C12 | C10 | C11 | 118.9° | 121.1° |
| C12 | C10 | H10 | 120.5° | 119.4° |
| C10 | C12 | H12 | 119.6° | 120.0° |
| C11 | C10 | H10 | 120.5° | 119.4° |
| C10 | C11 | H11 | 119.8° | 119.6° |
| N15 | C13 | O14 | 125.6° | 120.0° |
| C13 | N15 | C16 | 122.1° | 120.0° |
| C13 | N15 | HN15 | 119.0° | 120.0° |
| C16 | N15 | HN15 | 118.9° | 120.0° |
| N15 | C16 | C17 | 123.7° | 126.0° |
| N15 | C16 | N20 | 125.3° | 126.0° |
| C17 | C16 | N20 | 111.0° | 108.0° |
| C16 | C17 | C18 | 105.3° | 107.9° |
| C16 | C17 | H17 | 127.3° | 126.0° |
| C16 | N20 | N19 | 104.4° | 108.2° |
| C18 | C17 | H17 | 127.3° | 126.0° |
| C17 | C18 | N19 | 105.8° | 107.8° |
| C17 | C18 | H18 | 127.1° | 126.1° |
| N19 | C18 | H18 | 127.1° | 126.1° |
| C18 | N19 | N20 | 113.5° | 108.1° |
| C18 | N19 | HN19 | 123.3° | 126.0° |
| N20 | N19 | HN19 | 123.2° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | H1 | H1A | 120.0° | 120.1° |
| C9 | C1 | H1 | H1B | 120.0° | 120.0° |
| C9 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C9 | N2 | N8 | 180.0° | 180.0° |
| C1 | C9 | N2 | C3 | 179.7° | 180.0° |
| C1 | C9 | N8 | C6 | 179.8° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H1 | C1 | C9 | N2 | 0.0° | 90.0° |
| H1 | C1 | C9 | N8 | 180.0° | 90.1° |
| H1A | C1 | C9 | N2 | 120.0° | 150.0° |
| H1A | C1 | C9 | N8 | 60.0° | 30.0° |
| H1B | C1 | C9 | N2 | 120.0° | 30.0° |
| H1B | C1 | C9 | N8 | 60.0° | 149.9° |
| C9 | N2 | C3 | N4 | 179.0° | 180.0° |
| C9 | N2 | C3 | C5 | 0.6° | 0.0° |
| N2 | C9 | N8 | C6 | 0.2° | 0.0° |
| N2 | C3 | N4 | C5 | 179.7° | 180.0° |
| N2 | C3 | N4 | HN4 | 0.0° | 0.1° |
| N2 | C3 | N4 | HN4A | 120.0° | 180.0° |
| N2 | C3 | C5 | C6 | 0.6° | 0.1° |
| N2 | C3 | C5 | C12 | 179.9° | 179.9° |
| C3 | N2 | C9 | N8 | 0.2° | 0.0° |
| C3 | N4 | HN4 | HN4A | 120.0° | 179.9° |
| N4 | C3 | C5 | C6 | 179.1° | 180.0° |
| N4 | C3 | C5 | C12 | 0.2° | 0.1° |
| C5 | C3 | N4 | HN4 | 179.7° | 180.0° |
| C5 | C3 | N4 | HN4A | 59.7° | 0.0° |
| C3 | C5 | C6 | C12 | 179.3° | 179.9° |
| C3 | C5 | C6 | N8 | 0.1° | 0.1° |
| C3 | C5 | C6 | C7 | 179.7° | 180.0° |
| C3 | C5 | C12 | C10 | 179.3° | 180.0° |
| C3 | C5 | C12 | H12 | 0.7° | 0.2° |
| C5 | C6 | N8 | C7 | 179.8° | 180.0° |
| C5 | C6 | C7 | C13 | 178.5° | 180.0° |
| C5 | C6 | C7 | C11 | 0.3° | 0.0° |
| C5 | C6 | N8 | C9 | 0.3° | 0.0° |
| C6 | C5 | C12 | C10 | 0.0° | 0.1° |
| C6 | C5 | C12 | H12 | 180.0° | 180.0° |
| C12 | C5 | C6 | N8 | 179.4° | 180.0° |
| C12 | C5 | C6 | C7 | 0.4° | 0.1° |
| C5 | C12 | C10 | H12 | 180.0° | 179.9° |
| C5 | C12 | C10 | C11 | 0.4° | 0.0° |
| C5 | C12 | C10 | H10 | 179.6° | 180.0° |
| N8 | C6 | C7 | C13 | 1.7° | 0.0° |
| N8 | C6 | C7 | C11 | 179.5° | 180.0° |
| C6 | C7 | C13 | C11 | 178.8° | 180.0° |
| C7 | C6 | N8 | C9 | 179.9° | 180.0° |
| C6 | C7 | C11 | C10 | 0.2° | 0.0° |
| C6 | C7 | C11 | H11 | 179.8° | 180.0° |
| C6 | C7 | C13 | N15 | 0.7° | 180.0° |
| C6 | C7 | C13 | O14 | 178.2° | 0.1° |
| C13 | C7 | C11 | C10 | 179.1° | 180.0° |
| C13 | C7 | C11 | H11 | 0.9° | 0.0° |
| C7 | C13 | N15 | O14 | 178.8° | 179.9° |
| C7 | C13 | N15 | C16 | 169.3° | 180.0° |
| C7 | C13 | N15 | HN15 | 10.8° | 0.0° |
| C7 | C11 | C10 | C12 | 0.6° | 0.0° |
| C7 | C11 | C10 | H11 | 180.0° | 180.0° |
| C7 | C11 | C10 | H10 | 179.5° | 180.0° |
| C11 | C7 | C13 | N15 | 179.5° | 0.0° |
| C11 | C7 | C13 | O14 | 0.7° | 179.9° |
| C12 | C10 | C11 | H10 | 180.0° | 180.0° |
| C12 | C10 | C11 | H11 | 179.4° | 180.0° |
| C11 | C10 | C12 | H12 | 179.6° | 179.9° |
| H10 | C10 | C11 | H11 | 0.6° | 0.0° |
| H10 | C10 | C12 | H12 | 0.4° | 0.1° |
| C13 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 170.4° | 0.4° |
| C13 | N15 | C16 | N20 | 10.4° | 179.9° |
| O14 | C13 | N15 | C16 | 9.5° | 0.0° |
| O14 | C13 | N15 | HN15 | 170.5° | 179.9° |
| N15 | C16 | C17 | N20 | 179.3° | 179.6° |
| N15 | C16 | C17 | C18 | 179.3° | 180.0° |
| N15 | C16 | C17 | H17 | 0.7° | 0.1° |
| N15 | C16 | N20 | N19 | 179.8° | 179.9° |
| HN15 | N15 | C16 | C17 | 9.6° | 179.7° |
| HN15 | N15 | C16 | N20 | 169.6° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | N19 | 0.5° | 0.1° |
| C16 | C17 | C18 | H18 | 179.5° | 180.0° |
| C17 | C16 | N20 | N19 | 0.5° | 0.5° |
| N20 | C16 | C17 | C18 | 0.0° | 0.3° |
| N20 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | N20 | N19 | C18 | 0.8° | 0.4° |
| C16 | N20 | N19 | HN19 | 179.2° | 179.8° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | N20 | 0.8° | 0.2° |
| C17 | C18 | N19 | HN19 | 179.2° | 180.0° |
| H17 | C17 | C18 | N19 | 179.6° | 179.9° |
| H17 | C17 | C18 | H18 | 0.4° | 0.1° |
| C18 | N19 | N20 | HN19 | 180.0° | 179.8° |
| H18 | C18 | N19 | N20 | 179.2° | 179.7° |
| H18 | C18 | N19 | HN19 | 0.8° | 0.0° |
