67V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C8 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| N11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N17 | C12 | doub | 1.33Å | 1.54Å | Aromatic |
| N17 | C16 | sing | 1.31Å | 1.47Å | Aromatic |
| C21 | C16 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C9 | doub | 1.39Å | 1.58Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.51Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.49Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C10 | sing | 1.47Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.54Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.49Å | Aromatic |
| C10 | C4 | doub | 1.39Å | 1.57Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.47Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.54Å | |
| O20 | C18 | doub | 1.22Å | 1.19Å | |
| C18 | O19 | sing | 1.35Å | 1.40Å | |
| C3 | C4 | sing | 1.38Å | 1.51Å | Aromatic |
| O19 | C1 | sing | 1.45Å | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| N11 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 60.2° | 59.9° |
| C7 | C8 | C6 | 60.3° | 60.0° |
| C8 | C7 | H8 | 120.0° | 117.5° |
| C8 | C7 | H9 | 120.0° | 117.5° |
| C7 | C8 | H10 | 120.0° | 117.5° |
| C7 | C8 | H11 | 119.9° | 117.5° |
| C7 | C6 | C8 | 59.6° | 60.0° |
| C7 | C6 | C5 | 133.0° | 117.5° |
| C7 | C6 | H7 | 109.4° | 117.5° |
| C6 | C7 | H8 | 120.0° | 117.5° |
| C6 | C7 | H9 | 120.0° | 117.5° |
| C8 | C6 | C5 | 127.2° | 117.5° |
| C8 | C6 | H7 | 109.4° | 117.5° |
| C6 | C8 | H10 | 119.9° | 117.5° |
| C6 | C8 | H11 | 120.0° | 117.5° |
| C6 | C5 | C9 | 121.8° | 120.0° |
| C6 | C5 | C2 | 119.3° | 120.0° |
| C5 | C6 | H7 | 109.4° | 115.6° |
| C12 | N11 | C9 | 108.6° | 110.6° |
| N11 | C12 | N17 | 131.3° | 131.8° |
| N11 | C12 | C13 | 107.6° | 108.2° |
| C12 | N11 | H16 | 125.7° | 124.7° |
| N11 | C9 | C5 | 131.7° | 132.3° |
| N11 | C9 | C10 | 107.2° | 108.4° |
| C9 | N11 | H16 | 125.7° | 124.7° |
| C12 | N17 | C16 | 119.2° | 122.0° |
| N17 | C12 | C13 | 121.1° | 120.0° |
| N17 | C16 | C21 | 119.8° | 119.3° |
| N17 | C16 | C15 | 120.3° | 121.3° |
| C21 | C16 | C15 | 119.9° | 119.4° |
| C16 | C21 | H13 | 109.5° | 109.5° |
| C16 | C21 | H14 | 109.5° | 109.4° |
| C16 | C21 | H15 | 109.4° | 109.4° |
| C12 | C13 | C10 | 108.2° | 106.6° |
| C12 | C13 | C14 | 119.6° | 119.7° |
| C9 | C5 | C2 | 119.0° | 120.0° |
| C5 | C9 | C10 | 121.0° | 119.3° |
| C5 | C2 | C3 | 120.0° | 120.6° |
| C5 | C2 | H4 | 120.0° | 119.7° |
| C16 | C15 | C14 | 119.5° | 119.0° |
| C16 | C15 | C18 | 121.9° | 120.5° |
| C9 | C10 | C13 | 108.4° | 106.3° |
| C9 | C10 | C4 | 120.0° | 120.1° |
| C10 | C13 | C14 | 132.1° | 133.7° |
| C13 | C10 | C4 | 131.6° | 133.7° |
| C13 | C14 | C15 | 120.2° | 118.0° |
| C13 | C14 | H12 | 119.9° | 121.0° |
| C2 | C3 | C4 | 120.0° | 120.2° |
| C3 | C2 | H4 | 120.0° | 119.7° |
| C2 | C3 | H5 | 120.0° | 119.9° |
| C10 | C4 | C3 | 119.9° | 119.8° |
| C10 | C4 | H6 | 120.0° | 120.1° |
| C14 | C15 | C18 | 118.7° | 120.5° |
| C15 | C14 | H12 | 119.9° | 121.0° |
| C15 | C18 | O20 | 119.7° | 120.0° |
| C15 | C18 | O19 | 119.9° | 120.0° |
| O20 | C18 | O19 | 120.4° | 120.0° |
| C18 | O19 | C1 | 113.5° | 117.0° |
| C4 | C3 | H5 | 120.0° | 119.8° |
| C3 | C4 | H6 | 120.0° | 120.1° |
| O19 | C1 | H1 | 109.5° | 109.5° |
| O19 | C1 | H2 | 109.5° | 109.5° |
| O19 | C1 | H3 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.4° | 115.6° |
| H10 | C8 | H11 | 109.5° | 115.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H15 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H8 | 109.5° | 107.5° |
| C8 | C7 | C6 | H9 | 109.5° | 107.5° |
| C7 | C8 | C6 | H10 | 109.6° | 107.5° |
| C7 | C8 | C6 | H11 | 109.5° | 107.5° |
| C8 | C7 | C6 | C5 | 114.3° | 107.5° |
| C8 | C7 | C6 | H7 | 101.6° | 107.5° |
| C8 | C7 | H8 | H9 | 144.7° | 145.7° |
| C7 | C8 | H10 | H11 | 144.6° | 145.6° |
| C7 | C6 | C5 | H7 | 144.1° | 145.7° |
| C7 | C6 | C5 | C9 | 176.6° | 120.1° |
| C7 | C6 | C5 | C2 | 3.3° | 60.5° |
| C6 | C7 | H8 | H9 | 144.6° | 145.7° |
| C8 | C6 | C5 | H7 | 135.3° | 145.7° |
| C8 | C6 | C5 | C9 | 102.7° | 171.2° |
| C8 | C6 | C5 | C2 | 77.4° | 8.2° |
| C6 | C8 | H10 | H11 | 144.6° | 145.8° |
| C6 | C5 | C9 | N11 | 0.2° | 0.6° |
| C6 | C5 | C9 | C2 | 179.9° | 179.4° |
| C6 | C5 | C9 | C10 | 179.9° | 180.0° |
| C6 | C5 | C2 | C3 | 179.8° | 179.4° |
| C6 | C5 | C2 | H4 | 0.2° | 0.3° |
| C5 | C6 | C7 | H8 | 136.2° | 0.0° |
| C5 | C6 | C7 | H9 | 4.8° | 145.0° |
| C5 | C6 | C8 | H10 | 13.5° | 145.1° |
| C5 | C6 | C8 | H11 | 127.4° | 0.0° |
| C12 | N11 | C9 | H16 | 180.0° | 179.2° |
| N11 | C12 | N17 | C13 | 179.7° | 179.9° |
| N11 | C12 | N17 | C16 | 179.9° | 180.0° |
| C12 | N11 | C9 | C5 | 179.9° | 179.8° |
| C12 | N11 | C9 | C10 | 0.1° | 0.7° |
| N11 | C12 | C13 | C10 | 0.1° | 0.4° |
| N11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C9 | N11 | C12 | N17 | 179.8° | 179.2° |
| C9 | N11 | C12 | C13 | 0.0° | 0.7° |
| N11 | C9 | C5 | C10 | 179.9° | 179.4° |
| N11 | C9 | C5 | C2 | 179.9° | 180.0° |
| N11 | C9 | C10 | C13 | 0.1° | 0.4° |
| N11 | C9 | C10 | C4 | 180.0° | 179.6° |
| C12 | N17 | C16 | C21 | 179.8° | 180.0° |
| C12 | N17 | C16 | C15 | 0.3° | 0.1° |
| N17 | C12 | C13 | C10 | 179.9° | 179.5° |
| N17 | C12 | C13 | C14 | 0.2° | 0.0° |
| N17 | C12 | N11 | H16 | 0.2° | 0.0° |
| N17 | C16 | C21 | C15 | 180.0° | 179.9° |
| C16 | N17 | C12 | C13 | 0.3° | 0.1° |
| N17 | C16 | C15 | C14 | 0.2° | 0.1° |
| N17 | C16 | C15 | C18 | 179.9° | 180.0° |
| N17 | C16 | C21 | H13 | 0.0° | 96.6° |
| N17 | C16 | C21 | H14 | 120.0° | 23.5° |
| N17 | C16 | C21 | H15 | 120.0° | 143.4° |
| C21 | C16 | C15 | C14 | 179.9° | 180.0° |
| C21 | C16 | C15 | C18 | 0.2° | 0.1° |
| C16 | C21 | H13 | H14 | 120.0° | 120.0° |
| C16 | C21 | H13 | H15 | 120.0° | 120.0° |
| C16 | C21 | H14 | H15 | 119.9° | 120.0° |
| C12 | C13 | C10 | C9 | 0.1° | 0.0° |
| C12 | C13 | C10 | C14 | 179.9° | 179.4° |
| C12 | C13 | C10 | C4 | 180.0° | 179.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| C13 | C12 | N11 | H16 | 180.0° | 180.0° |
| C5 | C9 | C10 | C13 | 180.0° | 180.0° |
| C9 | C5 | C2 | C3 | 0.1° | 0.0° |
| C5 | C9 | C10 | C4 | 0.1° | 0.8° |
| C9 | C5 | C2 | H4 | 179.9° | 179.7° |
| C9 | C5 | C6 | H7 | 32.5° | 25.6° |
| C5 | C9 | N11 | H16 | 0.1° | 0.6° |
| C2 | C5 | C9 | C10 | 0.1° | 0.6° |
| C5 | C2 | C3 | H4 | 180.0° | 179.7° |
| C5 | C2 | C3 | C4 | 0.1° | 0.3° |
| C5 | C2 | C3 | H5 | 179.9° | 179.7° |
| C2 | C5 | C6 | H7 | 147.3° | 153.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | C18 | 179.7° | 179.9° |
| C16 | C15 | C18 | O20 | 28.9° | 6.4° |
| C16 | C15 | C18 | O19 | 150.5° | 173.7° |
| C16 | C15 | C14 | H12 | 179.9° | 180.0° |
| C15 | C16 | C21 | H13 | 180.0° | 83.3° |
| C15 | C16 | C21 | H14 | 59.9° | 156.7° |
| C15 | C16 | C21 | H15 | 60.0° | 36.7° |
| C9 | C10 | C13 | C4 | 179.9° | 179.0° |
| C9 | C10 | C13 | C14 | 180.0° | 179.4° |
| C9 | C10 | C4 | C3 | 0.0° | 0.5° |
| C9 | C10 | C4 | H6 | 180.0° | 179.5° |
| C10 | C9 | N11 | H16 | 179.9° | 180.0° |
| C10 | C13 | C14 | C15 | 180.0° | 179.4° |
| C13 | C10 | C4 | C3 | 179.9° | 179.5° |
| C13 | C10 | C4 | H6 | 0.1° | 0.5° |
| C10 | C13 | C14 | H12 | 0.0° | 0.6° |
| C14 | C13 | C10 | C4 | 0.1° | 0.4° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C18 | 179.8° | 179.9° |
| C2 | C3 | C4 | C10 | 0.1° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H6 | 179.9° | 180.0° |
| C10 | C4 | C3 | H6 | 180.0° | 180.0° |
| C10 | C4 | C3 | H5 | 179.9° | 180.0° |
| C14 | C15 | C18 | O20 | 151.4° | 173.7° |
| C14 | C15 | C18 | O19 | 29.2° | 6.2° |
| C15 | C18 | O20 | O19 | 179.3° | 179.9° |
| C15 | C18 | O19 | C1 | 143.2° | 180.0° |
| C18 | C15 | C14 | H12 | 0.2° | 0.1° |
| O20 | C18 | O19 | C1 | 36.1° | 0.0° |
| C18 | O19 | C1 | H1 | 180.0° | 60.0° |
| C18 | O19 | C1 | H2 | 60.0° | 60.0° |
| C18 | O19 | C1 | H3 | 60.0° | 180.0° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| O19 | C1 | H1 | H2 | 120.0° | 120.0° |
| O19 | C1 | H1 | H3 | 120.0° | 120.0° |
| O19 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C2 | C3 | H5 | 0.1° | 0.0° |
| H5 | C3 | C4 | H6 | 0.1° | 0.0° |
| H7 | C6 | C7 | H8 | 7.9° | 145.0° |
| H7 | C6 | C7 | H9 | 148.8° | 0.0° |
| H7 | C6 | C8 | H10 | 148.8° | 0.0° |
| H7 | C6 | C8 | H11 | 7.9° | 145.0° |
| H8 | C7 | C8 | H10 | 140.9° | 145.0° |
| H8 | C7 | C8 | H11 | 0.0° | 0.1° |
| H9 | C7 | C8 | H10 | 0.0° | 0.1° |
| H9 | C7 | C8 | H11 | 140.9° | 145.0° |
| H13 | C21 | H14 | H15 | 120.0° | 120.0° |
