0VN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C7 | trip | 1.14Å | 1.15Å | |
| C7 | C4 | sing | 1.43Å | 1.40Å | |
| C3 | C18 | sing | 1.53Å | 1.57Å | |
| C5 | C4 | doub | 1.40Å | 1.49Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.47Å | Aromatic |
| C1 | C18 | sing | 1.53Å | 1.59Å | |
| C4 | C10 | sing | 1.40Å | 1.49Å | Aromatic |
| C18 | C12 | sing | 1.51Å | 1.57Å | |
| C18 | C2 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | doub | 1.38Å | 1.49Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | N3 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C8 | doub | 1.41Å | 1.51Å | Aromatic |
| N3 | C11 | sing | 1.36Å | 1.35Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.50Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.46Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.46Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.48Å | Aromatic |
| C8 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.47Å | Aromatic |
| C15 | N1 | sing | 1.40Å | 1.34Å | |
| C11 | N1 | sing | 1.38Å | 1.45Å | |
| C11 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C7 | C4 | 177.0° | 180.0° |
| C7 | C4 | C5 | 116.5° | 120.0° |
| C7 | C4 | C10 | 117.0° | 119.9° |
| C3 | C18 | C1 | 103.2° | 109.5° |
| C3 | C18 | C12 | 115.4° | 109.5° |
| C3 | C18 | C2 | 107.5° | 109.5° |
| C18 | C3 | H17 | 109.5° | 109.5° |
| C18 | C3 | H18 | 109.5° | 109.5° |
| C18 | C3 | H19 | 109.5° | 109.5° |
| C4 | C5 | C6 | 115.2° | 119.6° |
| C5 | C4 | C10 | 126.5° | 120.1° |
| C4 | C5 | H1 | 122.4° | 120.2° |
| C5 | C6 | N3 | 133.7° | 133.8° |
| C5 | C6 | C8 | 119.7° | 120.0° |
| C6 | C5 | H1 | 122.4° | 120.2° |
| C1 | C18 | C12 | 112.2° | 109.5° |
| C1 | C18 | C2 | 110.0° | 109.5° |
| C18 | C1 | H11 | 109.5° | 109.5° |
| C18 | C1 | H12 | 109.5° | 109.5° |
| C18 | C1 | H13 | 109.5° | 109.4° |
| C4 | C10 | C9 | 117.3° | 120.5° |
| C4 | C10 | H3 | 121.3° | 119.8° |
| C12 | C18 | C2 | 108.3° | 109.5° |
| C18 | C12 | C13 | 117.1° | 119.9° |
| C18 | C12 | C17 | 118.3° | 119.9° |
| C18 | C2 | H14 | 109.5° | 109.4° |
| C18 | C2 | H15 | 109.5° | 109.5° |
| C18 | C2 | H16 | 109.5° | 109.5° |
| C12 | C13 | C14 | 118.2° | 120.1° |
| C13 | C12 | C17 | 124.6° | 120.1° |
| C12 | C13 | H7 | 120.9° | 120.0° |
| C13 | C14 | C15 | 115.7° | 119.9° |
| C14 | C13 | H7 | 120.9° | 119.9° |
| C13 | C14 | H8 | 122.1° | 120.0° |
| N3 | C6 | C8 | 106.6° | 106.2° |
| C6 | N3 | C11 | 105.2° | 107.2° |
| C6 | N3 | H4 | 127.4° | 126.4° |
| C6 | C8 | C9 | 122.9° | 119.7° |
| C6 | C8 | N4 | 105.7° | 107.0° |
| N3 | C11 | N1 | 122.7° | 125.1° |
| N3 | C11 | N4 | 116.9° | 109.9° |
| C11 | N3 | H4 | 127.4° | 126.4° |
| C12 | C17 | C16 | 117.0° | 120.1° |
| C12 | C17 | H10 | 121.5° | 119.9° |
| C10 | C9 | C8 | 118.4° | 120.1° |
| C10 | C9 | H2 | 120.8° | 120.0° |
| C9 | C10 | H3 | 121.4° | 119.7° |
| C14 | C15 | C16 | 128.9° | 119.9° |
| C14 | C15 | N1 | 117.3° | 120.1° |
| C15 | C14 | H8 | 122.2° | 120.1° |
| C17 | C16 | C15 | 115.7° | 119.9° |
| C17 | C16 | H9 | 122.2° | 120.0° |
| C16 | C17 | H10 | 121.5° | 120.0° |
| C9 | C8 | N4 | 131.4° | 133.2° |
| C8 | C9 | H2 | 120.8° | 120.0° |
| C8 | N4 | C11 | 105.6° | 109.7° |
| C16 | C15 | N1 | 113.9° | 120.1° |
| C15 | C16 | H9 | 122.2° | 120.0° |
| C15 | N1 | C11 | 129.2° | 120.0° |
| C15 | N1 | H6 | 115.4° | 120.0° |
| N1 | C11 | N4 | 120.4° | 125.0° |
| C11 | N1 | H6 | 115.4° | 120.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H14 | C2 | H16 | 109.5° | 109.4° |
| H15 | C2 | H16 | 109.4° | 109.4° |
| H17 | C3 | H18 | 109.5° | 109.4° |
| H17 | C3 | H19 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C7 | C4 | C5 | 52.7° | 45.8° |
| N2 | C7 | C4 | C10 | 128.6° | 134.4° |
| C7 | C4 | C5 | C10 | 178.5° | 179.8° |
| C7 | C4 | C5 | C6 | 178.3° | 179.7° |
| C7 | C4 | C10 | C9 | 178.2° | 179.7° |
| C7 | C4 | C5 | H1 | 1.7° | 0.2° |
| C7 | C4 | C10 | H3 | 1.8° | 0.2° |
| C3 | C18 | C1 | C12 | 124.9° | 120.0° |
| C3 | C18 | C1 | C2 | 114.5° | 120.0° |
| C3 | C18 | C12 | C2 | 120.6° | 120.0° |
| C3 | C18 | C12 | C13 | 22.7° | 0.3° |
| C3 | C18 | C12 | C17 | 156.6° | 180.0° |
| C3 | C18 | C1 | H11 | 180.0° | 180.0° |
| C3 | C18 | C1 | H12 | 60.0° | 60.0° |
| C3 | C18 | C1 | H13 | 60.0° | 60.0° |
| C3 | C18 | C2 | H14 | 180.0° | 60.0° |
| C3 | C18 | C2 | H15 | 60.0° | 60.0° |
| C3 | C18 | C2 | H16 | 60.0° | 180.0° |
| C18 | C3 | H17 | H18 | 120.0° | 120.0° |
| C18 | C3 | H17 | H19 | 120.0° | 120.0° |
| C18 | C3 | H18 | H19 | 120.0° | 120.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | N3 | 179.7° | 179.9° |
| C4 | C5 | C6 | C8 | 0.1° | 0.0° |
| C5 | C4 | C10 | C9 | 0.3° | 0.0° |
| C5 | C4 | C10 | H3 | 179.8° | 180.0° |
| C6 | C5 | C4 | C10 | 0.2° | 0.0° |
| C5 | C6 | N3 | C8 | 179.8° | 180.0° |
| C5 | C6 | N3 | C11 | 179.7° | 180.0° |
| C5 | C6 | C8 | C9 | 0.3° | 0.0° |
| C5 | C6 | C8 | N4 | 179.8° | 180.0° |
| C5 | C6 | N3 | H4 | 0.3° | 0.0° |
| C1 | C18 | C12 | C2 | 121.6° | 120.0° |
| C1 | C18 | C12 | C13 | 140.6° | 120.3° |
| C1 | C18 | C12 | C17 | 38.8° | 60.0° |
| C18 | C1 | H11 | H12 | 120.0° | 120.0° |
| C18 | C1 | H11 | H13 | 120.0° | 119.9° |
| C18 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C18 | C2 | H14 | 68.3° | 180.0° |
| C1 | C18 | C2 | H15 | 51.7° | 60.0° |
| C1 | C18 | C2 | H16 | 171.6° | 60.0° |
| C1 | C18 | C3 | H17 | 180.0° | 60.0° |
| C1 | C18 | C3 | H18 | 60.0° | 60.0° |
| C1 | C18 | C3 | H19 | 60.0° | 180.0° |
| C4 | C10 | C9 | H3 | 180.0° | 179.9° |
| C4 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C4 | C5 | H1 | 179.8° | 180.0° |
| C4 | C10 | C9 | H2 | 180.0° | 180.0° |
| C18 | C12 | C13 | C17 | 179.3° | 179.8° |
| C18 | C12 | C13 | C14 | 179.0° | 179.7° |
| C18 | C12 | C17 | C16 | 178.8° | 179.7° |
| C18 | C12 | C13 | H7 | 1.0° | 0.3° |
| C18 | C12 | C17 | H10 | 1.2° | 0.2° |
| C12 | C18 | C1 | H11 | 55.1° | 60.0° |
| C12 | C18 | C1 | H12 | 64.9° | 180.0° |
| C12 | C18 | C1 | H13 | 175.1° | 60.0° |
| C12 | C18 | C2 | H14 | 54.6° | 60.0° |
| C12 | C18 | C2 | H15 | 174.7° | 180.0° |
| C12 | C18 | C2 | H16 | 65.4° | 60.0° |
| C12 | C18 | C3 | H17 | 57.2° | 60.0° |
| C12 | C18 | C3 | H18 | 177.2° | 180.0° |
| C12 | C18 | C3 | H19 | 62.8° | 60.0° |
| C2 | C18 | C12 | C13 | 97.9° | 119.7° |
| C2 | C18 | C12 | C17 | 82.8° | 60.0° |
| C2 | C18 | C1 | H11 | 65.5° | 60.0° |
| C2 | C18 | C1 | H12 | 174.4° | 60.0° |
| C2 | C18 | C1 | H13 | 54.5° | 180.0° |
| C18 | C2 | H14 | H15 | 120.1° | 120.0° |
| C18 | C2 | H14 | H16 | 120.0° | 120.0° |
| C18 | C2 | H15 | H16 | 120.0° | 120.0° |
| C2 | C18 | C3 | H17 | 63.8° | 180.0° |
| C2 | C18 | C3 | H18 | 56.2° | 60.0° |
| C2 | C18 | C3 | H19 | 176.2° | 60.0° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C17 | C16 | 0.4° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C17 | H10 | 179.6° | 180.0° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | N1 | 179.8° | 180.0° |
| C6 | N3 | C11 | H4 | 180.0° | 180.0° |
| N3 | C6 | C8 | C9 | 179.6° | 180.0° |
| N3 | C6 | C8 | N4 | 0.0° | 0.0° |
| C6 | N3 | C11 | N1 | 178.3° | 180.0° |
| C6 | N3 | C11 | N4 | 0.2° | 0.0° |
| N3 | C6 | C5 | H1 | 0.3° | 0.0° |
| C8 | C6 | N3 | C11 | 0.1° | 0.0° |
| C6 | C8 | C9 | C10 | 0.2° | 0.0° |
| C6 | C8 | C9 | N4 | 179.5° | 180.0° |
| C6 | C8 | N4 | C11 | 0.1° | 0.0° |
| C8 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C8 | C9 | H2 | 179.8° | 180.0° |
| C8 | C6 | N3 | H4 | 179.9° | 180.0° |
| N3 | C11 | N4 | C8 | 0.2° | 0.0° |
| N3 | C11 | N1 | C15 | 2.1° | 174.6° |
| N3 | C11 | N1 | N4 | 178.5° | 180.0° |
| N3 | C11 | N1 | H6 | 177.9° | 5.4° |
| C12 | C17 | C16 | H10 | 180.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C12 | C13 | H7 | 179.7° | 179.9° |
| C12 | C17 | C16 | H9 | 179.8° | 179.9° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | N4 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C14 | C15 | C16 | N1 | 179.9° | 180.0° |
| C14 | C15 | N1 | C11 | 40.0° | 29.9° |
| C14 | C15 | N1 | H6 | 140.0° | 150.1° |
| C15 | C14 | C13 | H7 | 179.9° | 179.9° |
| C14 | C15 | C16 | H9 | 179.8° | 179.9° |
| C17 | C16 | C15 | H9 | 180.0° | 179.9° |
| C17 | C16 | C15 | N1 | 179.9° | 180.0° |
| C9 | C8 | N4 | C11 | 179.4° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | N4 | C11 | N1 | 178.3° | 180.0° |
| N4 | C8 | C9 | H2 | 0.3° | 0.0° |
| C16 | C15 | N1 | C11 | 140.0° | 150.2° |
| C16 | C15 | N1 | H6 | 40.0° | 29.9° |
| C16 | C15 | C14 | H8 | 179.7° | 179.9° |
| C15 | C16 | C17 | H10 | 179.8° | 180.0° |
| C15 | N1 | C11 | H6 | 180.0° | 180.0° |
| C15 | N1 | C11 | N4 | 179.4° | 5.4° |
| N1 | C15 | C14 | H8 | 0.2° | 0.0° |
| N1 | C15 | C16 | H9 | 0.1° | 0.1° |
| N1 | C11 | N3 | H4 | 1.7° | 0.0° |
| N4 | C11 | N3 | H4 | 179.8° | 180.0° |
| N4 | C11 | N1 | H6 | 0.6° | 174.7° |
| H2 | C9 | C10 | H3 | 0.0° | 0.0° |
| H7 | C13 | C14 | H8 | 0.1° | 0.0° |
| H9 | C16 | C17 | H10 | 0.2° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H14 | C2 | H15 | H16 | 120.0° | 120.0° |
| H17 | C3 | H18 | H19 | 120.0° | 120.0° |
