77V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C23 | C21 | sing | 1.53Å | 1.50Å | |
| O16 | C17 | sing | 1.34Å | 1.36Å | Aromatic |
| O16 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.37Å | Aromatic |
| C21 | N20 | sing | 1.47Å | 1.48Å | |
| N20 | C15 | sing | 1.39Å | 1.40Å | |
| C10 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | C11 | sing | 1.46Å | 1.42Å | Aromatic |
| C11 | N12 | doub | 1.33Å | 1.35Å | Aromatic |
| N14 | C13 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| N7 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N12 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | N19 | sing | 1.39Å | 1.41Å | |
| N8 | C9 | doub | 1.30Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| N19 | C2 | sing | 1.40Å | 1.40Å | |
| C2 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C9 | C24 | sing | 1.51Å | 1.47Å | |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| N20 | H16 | sing | 0.97Å | 1.00Å | |
| N7 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 60.2° | 60.0° |
| C22 | C23 | C21 | 59.9° | 60.0° |
| C23 | C22 | H6 | 120.0° | 117.5° |
| C23 | C22 | H7 | 120.0° | 117.5° |
| C22 | C23 | H8 | 120.0° | 117.5° |
| C22 | C23 | H9 | 120.0° | 117.5° |
| C22 | C21 | C23 | 59.8° | 60.0° |
| C22 | C21 | N20 | 123.2° | 117.5° |
| C21 | C22 | H6 | 120.0° | 117.5° |
| C21 | C22 | H7 | 120.0° | 117.5° |
| C22 | C21 | H10 | 113.3° | 117.6° |
| C23 | C21 | N20 | 123.0° | 117.5° |
| C21 | C23 | H8 | 120.0° | 117.5° |
| C21 | C23 | H9 | 120.0° | 117.5° |
| C23 | C21 | H10 | 113.3° | 117.6° |
| C17 | O16 | C10 | 107.5° | 110.8° |
| O16 | C17 | C18 | 110.3° | 110.0° |
| O16 | C17 | H5 | 124.8° | 125.1° |
| O16 | C10 | C15 | 129.1° | 134.4° |
| O16 | C10 | C11 | 109.3° | 107.5° |
| C17 | C18 | C11 | 105.8° | 106.2° |
| C17 | C18 | H3 | 127.1° | 126.9° |
| C18 | C17 | H5 | 124.8° | 124.9° |
| C21 | N20 | C15 | 115.1° | 120.0° |
| N20 | C21 | H10 | 113.8° | 115.5° |
| C21 | N20 | H16 | 108.0° | 120.0° |
| N20 | C15 | C10 | 124.7° | 120.7° |
| N20 | C15 | N14 | 120.2° | 120.6° |
| C15 | N20 | H16 | 108.0° | 120.0° |
| C15 | C10 | C11 | 121.6° | 118.2° |
| C10 | C15 | N14 | 115.1° | 118.7° |
| C10 | C11 | C18 | 107.1° | 105.5° |
| C10 | C11 | N12 | 121.6° | 119.4° |
| C15 | N14 | C13 | 122.2° | 121.4° |
| C18 | C11 | N12 | 131.3° | 135.1° |
| C11 | C18 | H3 | 127.1° | 126.9° |
| C11 | N12 | C13 | 115.1° | 120.3° |
| N14 | C13 | N12 | 124.4° | 122.0° |
| N14 | C13 | N19 | 118.5° | 119.0° |
| N8 | N7 | C4 | 114.7° | 108.1° |
| N7 | N8 | C9 | 103.0° | 109.8° |
| N8 | N7 | H14 | 122.7° | 126.0° |
| N7 | C4 | C3 | 131.4° | 133.7° |
| N7 | C4 | C5 | 105.0° | 106.6° |
| C4 | N7 | H14 | 122.7° | 126.0° |
| N12 | C13 | N19 | 117.1° | 119.0° |
| C13 | N19 | C2 | 128.4° | 120.0° |
| C13 | N19 | H15 | 115.8° | 120.0° |
| N8 | C9 | C5 | 112.4° | 108.6° |
| N8 | C9 | C24 | 121.0° | 125.6° |
| C4 | C3 | C2 | 115.9° | 119.7° |
| C3 | C4 | C5 | 123.6° | 119.7° |
| C4 | C3 | H4 | 122.0° | 120.2° |
| C3 | C2 | N19 | 123.9° | 119.8° |
| C3 | C2 | C1 | 120.7° | 120.4° |
| C2 | C3 | H4 | 122.1° | 120.1° |
| C4 | C5 | C9 | 104.9° | 106.9° |
| C4 | C5 | C6 | 120.3° | 119.7° |
| N19 | C2 | C1 | 115.4° | 119.8° |
| C2 | N19 | H15 | 115.8° | 120.0° |
| C2 | C1 | C6 | 123.3° | 120.6° |
| C2 | C1 | H2 | 118.4° | 119.7° |
| C5 | C9 | C24 | 126.6° | 125.7° |
| C9 | C5 | C6 | 134.8° | 133.4° |
| C9 | C24 | H11 | 109.5° | 109.5° |
| C9 | C24 | H12 | 109.4° | 109.5° |
| C9 | C24 | H13 | 109.4° | 109.5° |
| C5 | C6 | C1 | 116.2° | 119.9° |
| C5 | C6 | H1 | 121.9° | 120.0° |
| C1 | C6 | H1 | 121.9° | 120.1° |
| C6 | C1 | H2 | 118.4° | 119.7° |
| H6 | C22 | H7 | 109.5° | 115.5° |
| H8 | C23 | H9 | 109.5° | 115.6° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H6 | 109.6° | 107.5° |
| C23 | C22 | C21 | H7 | 109.5° | 107.5° |
| C22 | C23 | C21 | H8 | 109.5° | 107.5° |
| C22 | C23 | C21 | H9 | 109.5° | 107.4° |
| C23 | C22 | C21 | N20 | 111.9° | 107.5° |
| C23 | C22 | H6 | H7 | 144.6° | 145.7° |
| C22 | C23 | H8 | H9 | 144.8° | 145.7° |
| C23 | C22 | C21 | H10 | 104.3° | 107.5° |
| C22 | C21 | N20 | H10 | 143.6° | 145.7° |
| C22 | C21 | N20 | C15 | 141.0° | 155.1° |
| C21 | C22 | H6 | H7 | 144.6° | 145.7° |
| C22 | C21 | N20 | H16 | 98.2° | 25.0° |
| C23 | C21 | N20 | H10 | 143.3° | 145.7° |
| C23 | C21 | N20 | C15 | 67.9° | 136.3° |
| C21 | C23 | H8 | H9 | 144.8° | 145.7° |
| C23 | C21 | N20 | H16 | 171.3° | 43.6° |
| O16 | C17 | C18 | H5 | 180.0° | 179.9° |
| C17 | O16 | C10 | C15 | 178.8° | 179.9° |
| C17 | O16 | C10 | C11 | 0.2° | 0.5° |
| O16 | C17 | C18 | C11 | 0.1° | 0.1° |
| O16 | C17 | C18 | H3 | 179.8° | 179.8° |
| C10 | O16 | C17 | C18 | 0.0° | 0.4° |
| O16 | C10 | C15 | N20 | 0.2° | 0.6° |
| O16 | C10 | C15 | C11 | 178.4° | 179.4° |
| O16 | C10 | C15 | N14 | 178.4° | 179.4° |
| O16 | C10 | C11 | C18 | 0.3° | 0.4° |
| O16 | C10 | C11 | N12 | 179.8° | 179.5° |
| C10 | O16 | C17 | H5 | 180.0° | 179.7° |
| C17 | C18 | C11 | C10 | 0.2° | 0.2° |
| C17 | C18 | C11 | H3 | 180.0° | 179.9° |
| C17 | C18 | C11 | N12 | 179.8° | 179.8° |
| C21 | N20 | C15 | H16 | 120.8° | 179.9° |
| C21 | N20 | C15 | C10 | 158.6° | 180.0° |
| C21 | N20 | C15 | N14 | 19.9° | 0.0° |
| N20 | C21 | C22 | H6 | 138.5° | 145.0° |
| N20 | C21 | C22 | H7 | 2.4° | 0.0° |
| N20 | C21 | C23 | H8 | 2.7° | 0.0° |
| N20 | C21 | C23 | H9 | 138.4° | 145.1° |
| N20 | C15 | C10 | N14 | 178.6° | 180.0° |
| N20 | C15 | C10 | C11 | 178.6° | 180.0° |
| N20 | C15 | N14 | C13 | 179.5° | 180.0° |
| C15 | N20 | C21 | H10 | 75.4° | 9.3° |
| C15 | C10 | C11 | C18 | 179.0° | 180.0° |
| C15 | C10 | C11 | N12 | 1.4° | 0.0° |
| C10 | C15 | N14 | C13 | 0.9° | 0.0° |
| C10 | C15 | N20 | H16 | 80.6° | 0.1° |
| C11 | C10 | C15 | N14 | 0.0° | 0.0° |
| C10 | C11 | C18 | N12 | 179.5° | 179.9° |
| C10 | C11 | N12 | C13 | 1.9° | 0.0° |
| C10 | C11 | C18 | H3 | 179.7° | 179.9° |
| C15 | N14 | C13 | N12 | 0.4° | 0.0° |
| C15 | N14 | C13 | N19 | 176.8° | 180.0° |
| N14 | C15 | N20 | H16 | 100.9° | 179.9° |
| C18 | C11 | N12 | C13 | 178.7° | 179.9° |
| C11 | C18 | C17 | H5 | 179.9° | 180.0° |
| C11 | N12 | C13 | N14 | 1.0° | 0.0° |
| C11 | N12 | C13 | N19 | 178.2° | 180.0° |
| N12 | C11 | C18 | H3 | 0.2° | 0.1° |
| N14 | C13 | N12 | N19 | 177.2° | 180.0° |
| N14 | C13 | N19 | C2 | 22.3° | 174.5° |
| N14 | C13 | N19 | H15 | 157.7° | 5.5° |
| N8 | N7 | C4 | H14 | 180.0° | 179.7° |
| N8 | N7 | C4 | C3 | 177.7° | 180.0° |
| N8 | N7 | C4 | C5 | 1.5° | 0.3° |
| N7 | N8 | C9 | C5 | 0.6° | 0.2° |
| N7 | N8 | C9 | C24 | 179.9° | 179.8° |
| C4 | N7 | N8 | C9 | 1.3° | 0.3° |
| N7 | C4 | C3 | C5 | 179.1° | 179.7° |
| N7 | C4 | C3 | C2 | 179.3° | 180.0° |
| N7 | C4 | C5 | C9 | 1.0° | 0.2° |
| N7 | C4 | C5 | C6 | 179.4° | 179.8° |
| N7 | C4 | C3 | H4 | 0.6° | 0.4° |
| N12 | C13 | N19 | C2 | 160.4° | 5.5° |
| N12 | C13 | N19 | H15 | 19.6° | 174.5° |
| C13 | N19 | C2 | C3 | 12.2° | 33.9° |
| C13 | N19 | C2 | H15 | 180.0° | 180.0° |
| C13 | N19 | C2 | C1 | 168.5° | 145.8° |
| N8 | C9 | C5 | C4 | 0.2° | 0.0° |
| N8 | C9 | C5 | C24 | 179.2° | 180.0° |
| N8 | C9 | C5 | C6 | 179.7° | 180.0° |
| N8 | C9 | C24 | H11 | 0.0° | 90.0° |
| N8 | C9 | C24 | H12 | 120.0° | 30.0° |
| N8 | C9 | C24 | H13 | 120.0° | 150.0° |
| C9 | N8 | N7 | H14 | 178.6° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.6° |
| C4 | C3 | C2 | N19 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 1.4° | 0.3° |
| C3 | C4 | C5 | C9 | 178.4° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.0° |
| C3 | C4 | N7 | H14 | 2.3° | 0.3° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C3 | C2 | N19 | C1 | 179.3° | 179.7° |
| C3 | C2 | C1 | C6 | 2.0° | 0.1° |
| C3 | C2 | C1 | H2 | 178.0° | 179.9° |
| C3 | C2 | N19 | H15 | 167.8° | 146.1° |
| C4 | C5 | C9 | C6 | 179.5° | 180.0° |
| C4 | C5 | C9 | C24 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.3° |
| C4 | C5 | C6 | H1 | 179.4° | 180.0° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C5 | C4 | N7 | H14 | 178.5° | 180.0° |
| N19 | C2 | C1 | C6 | 178.6° | 179.7° |
| N19 | C2 | C1 | H2 | 1.3° | 0.2° |
| N19 | C2 | C3 | H4 | 0.6° | 0.4° |
| C2 | C1 | C6 | C5 | 0.9° | 0.4° |
| C2 | C1 | C6 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | H1 | 179.0° | 180.0° |
| C1 | C2 | C3 | H4 | 178.7° | 179.9° |
| C1 | C2 | N19 | H15 | 11.5° | 34.2° |
| C9 | C5 | C6 | C1 | 178.8° | 179.7° |
| C9 | C5 | C6 | H1 | 1.2° | 0.0° |
| C5 | C9 | C24 | H11 | 179.2° | 90.0° |
| C5 | C9 | C24 | H12 | 60.8° | 150.0° |
| C5 | C9 | C24 | H13 | 59.2° | 30.0° |
| C24 | C9 | C5 | C6 | 0.5° | 0.0° |
| C9 | C24 | H11 | H12 | 120.0° | 120.0° |
| C9 | C24 | H11 | H13 | 120.0° | 120.0° |
| C9 | C24 | H12 | H13 | 120.0° | 120.0° |
| C5 | C6 | C1 | H1 | 180.0° | 179.7° |
| C5 | C6 | C1 | H2 | 179.1° | 179.8° |
| H1 | C6 | C1 | H2 | 0.9° | 0.1° |
| H3 | C18 | C17 | H5 | 0.1° | 0.1° |
| H6 | C22 | C23 | H8 | 141.0° | 145.0° |
| H6 | C22 | C23 | H9 | 0.1° | 0.0° |
| H6 | C22 | C21 | H10 | 5.3° | 0.0° |
| H7 | C22 | C23 | H8 | 0.1° | 0.0° |
| H7 | C22 | C23 | H9 | 141.0° | 145.0° |
| H7 | C22 | C21 | H10 | 146.2° | 145.0° |
| H8 | C23 | C21 | H10 | 146.1° | 145.0° |
| H9 | C23 | C21 | H10 | 5.1° | 0.1° |
| H10 | C21 | N20 | H16 | 45.4° | 170.7° |
| H11 | C24 | H12 | H13 | 120.0° | 120.0° |
