17V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.46Å | 1.47Å | |
| N8 | N4 | sing | 1.40Å | 1.41Å | Aromatic |
| N8 | C7 | doub | 1.31Å | 1.30Å | Aromatic |
| N4 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| C7 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.48Å | |
| S13 | C9 | sing | 1.76Å | 1.75Å | Aromatic |
| S13 | C12 | sing | 1.75Å | 1.75Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| O24 | C23 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.48Å | 1.49Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | doub | 1.41Å | 1.42Å | Aromatic |
| C17 | C23 | sing | 1.48Å | 1.49Å | |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | N25 | sing | 1.35Å | 1.35Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | O20 | sing | 1.35Å | 1.35Å | |
| C11 | C22 | sing | 1.52Å | 1.53Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| N25 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 110.8° | 109.5° |
| C3 | C2 | N4 | 109.9° | 109.5° |
| C3 | C2 | H4 | 107.6° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.4° |
| C1 | C2 | N4 | 112.6° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.6° | 109.5° |
| C2 | N4 | N8 | 125.5° | 126.9° |
| C2 | N4 | C5 | 128.8° | 127.0° |
| N4 | C2 | H4 | 108.3° | 109.4° |
| N4 | N8 | C7 | 107.6° | 107.1° |
| N8 | N4 | C5 | 105.7° | 106.1° |
| N8 | C7 | N6 | 109.5° | 109.4° |
| N8 | C7 | H8 | 125.3° | 125.3° |
| N4 | C5 | N6 | 107.0° | 107.6° |
| N4 | C5 | C9 | 129.4° | 126.2° |
| C7 | N6 | C5 | 110.2° | 109.8° |
| N6 | C7 | H8 | 125.3° | 125.3° |
| N6 | C5 | C9 | 123.5° | 126.2° |
| C5 | C9 | S13 | 127.0° | 125.1° |
| C5 | C9 | C10 | 125.1° | 125.2° |
| C9 | S13 | C12 | 93.0° | 91.1° |
| S13 | C9 | C10 | 107.9° | 109.7° |
| S13 | C12 | C14 | 122.2° | 127.7° |
| S13 | C12 | C11 | 109.3° | 110.5° |
| C9 | C10 | C11 | 117.7° | 115.5° |
| C9 | C10 | H9 | 121.1° | 122.3° |
| C16 | C15 | C14 | 120.7° | 119.7° |
| C15 | C16 | C17 | 120.5° | 120.3° |
| C16 | C15 | H10 | 119.6° | 120.2° |
| C15 | C16 | H11 | 119.8° | 119.8° |
| C15 | C14 | C12 | 119.3° | 122.2° |
| C15 | C14 | C19 | 119.3° | 120.6° |
| C14 | C15 | H10 | 119.7° | 120.2° |
| O24 | C23 | C17 | 120.2° | 120.0° |
| O24 | C23 | N25 | 119.1° | 120.0° |
| C16 | C17 | C23 | 119.9° | 119.8° |
| C16 | C17 | C18 | 119.4° | 120.4° |
| C17 | C16 | H11 | 119.8° | 119.9° |
| C14 | C12 | C11 | 128.4° | 121.7° |
| C12 | C14 | C19 | 121.2° | 117.2° |
| C12 | C11 | C10 | 112.1° | 113.2° |
| C12 | C11 | C22 | 128.9° | 121.6° |
| C14 | C19 | C18 | 119.7° | 119.5° |
| C14 | C19 | O20 | 119.4° | 118.3° |
| C23 | C17 | C18 | 120.8° | 119.8° |
| C17 | C23 | N25 | 120.7° | 120.0° |
| C17 | C18 | C19 | 120.3° | 119.6° |
| C17 | C18 | H12 | 119.9° | 120.2° |
| C23 | N25 | H17 | 120.0° | 120.0° |
| C23 | N25 | H18 | 120.0° | 120.0° |
| C10 | C11 | C22 | 119.1° | 125.2° |
| C11 | C10 | H9 | 121.1° | 122.2° |
| C18 | C19 | O20 | 120.7° | 122.1° |
| C19 | C18 | H12 | 119.8° | 120.2° |
| C19 | O20 | C21 | 118.4° | 120.7° |
| C11 | C22 | C21 | 118.1° | 110.3° |
| C11 | C22 | H15 | 107.2° | 109.3° |
| C11 | C22 | H16 | 107.3° | 109.3° |
| O20 | C21 | C22 | 111.8° | 111.0° |
| O20 | C21 | H13 | 108.9° | 109.2° |
| O20 | C21 | H14 | 108.9° | 109.1° |
| C22 | C21 | H13 | 108.9° | 109.2° |
| C22 | C21 | H14 | 108.9° | 109.1° |
| C21 | C22 | H15 | 107.3° | 109.4° |
| C21 | C22 | H16 | 107.3° | 109.3° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.2° |
| H15 | C22 | H16 | 109.5° | 109.2° |
| H17 | N25 | H18 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | N4 | 123.5° | 120.1° |
| C3 | C2 | C1 | H4 | 117.3° | 119.9° |
| C3 | C2 | N4 | H4 | 117.3° | 119.9° |
| C3 | C2 | N4 | N8 | 77.0° | 59.7° |
| C3 | C2 | N4 | C5 | 102.2° | 119.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 179.9° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 119.9° |
| C2 | C3 | H6 | H7 | 120.0° | 119.9° |
| C1 | C2 | N4 | H4 | 118.8° | 120.0° |
| C1 | C2 | N4 | N8 | 47.0° | 60.3° |
| C1 | C2 | N4 | C5 | 133.9° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C3 | H7 | 60.0° | 60.0° |
| C2 | N4 | N8 | C5 | 179.3° | 179.7° |
| C2 | N4 | N8 | C7 | 178.5° | 179.8° |
| C2 | N4 | C5 | N6 | 178.8° | 180.0° |
| C2 | N4 | C5 | C9 | 1.2° | 0.1° |
| N4 | C2 | C1 | H1 | 56.5° | 60.0° |
| N4 | C2 | C1 | H2 | 63.5° | 180.0° |
| N4 | C2 | C1 | H3 | 176.5° | 60.0° |
| N4 | C2 | C3 | H5 | 55.0° | 59.9° |
| N4 | C2 | C3 | H6 | 175.0° | 180.0° |
| N4 | C2 | C3 | H7 | 65.0° | 60.1° |
| N4 | N8 | C7 | N6 | 0.8° | 0.5° |
| N8 | N4 | C5 | N6 | 0.5° | 0.3° |
| N8 | N4 | C5 | C9 | 178.1° | 179.8° |
| N8 | N4 | C2 | H4 | 165.8° | 179.6° |
| N4 | N8 | C7 | H8 | 179.2° | 179.8° |
| C7 | N8 | N4 | C5 | 0.8° | 0.5° |
| N8 | C7 | N6 | H8 | 180.0° | 179.7° |
| N8 | C7 | N6 | C5 | 0.5° | 0.3° |
| N4 | C5 | N6 | C7 | 0.0° | 0.0° |
| N4 | C5 | N6 | C9 | 177.8° | 179.9° |
| N4 | C5 | C9 | S13 | 0.8° | 15.3° |
| N4 | C5 | C9 | C10 | 177.9° | 165.1° |
| C5 | N4 | C2 | H4 | 15.1° | 0.0° |
| C7 | N6 | C5 | C9 | 177.8° | 180.0° |
| N6 | C5 | C9 | S13 | 176.5° | 164.6° |
| N6 | C5 | C9 | C10 | 0.6° | 15.0° |
| C5 | N6 | C7 | H8 | 179.5° | 180.0° |
| C5 | C9 | S13 | C10 | 177.5° | 179.7° |
| C5 | C9 | S13 | C12 | 177.5° | 179.9° |
| C5 | C9 | C10 | C11 | 177.6° | 180.0° |
| C5 | C9 | C10 | H9 | 2.4° | 0.1° |
| C9 | S13 | C12 | C14 | 179.6° | 180.0° |
| C9 | S13 | C12 | C11 | 0.0° | 0.4° |
| S13 | C9 | C10 | C11 | 0.0° | 0.3° |
| S13 | C9 | C10 | H9 | 180.0° | 179.8° |
| C12 | S13 | C9 | C10 | 0.0° | 0.4° |
| S13 | C12 | C14 | C15 | 25.2° | 45.6° |
| S13 | C12 | C14 | C11 | 179.6° | 179.6° |
| S13 | C12 | C14 | C19 | 149.7° | 134.7° |
| S13 | C12 | C11 | C10 | 0.0° | 0.3° |
| S13 | C12 | C11 | C22 | 179.1° | 179.7° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | C22 | 179.2° | 180.0° |
| C16 | C15 | C14 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 177.7° | 178.2° |
| C16 | C15 | C14 | C19 | 2.8° | 1.5° |
| C15 | C16 | C17 | C23 | 178.5° | 179.2° |
| C15 | C16 | C17 | C18 | 1.4° | 0.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C14 | C12 | C19 | 174.9° | 179.7° |
| C15 | C14 | C12 | C11 | 154.4° | 134.8° |
| C15 | C14 | C19 | C18 | 4.0° | 2.3° |
| C15 | C14 | C19 | O20 | 179.9° | 174.6° |
| C14 | C15 | C16 | H11 | 179.9° | 179.9° |
| O24 | C23 | C17 | C16 | 14.8° | 179.9° |
| O24 | C23 | C17 | N25 | 179.4° | 180.0° |
| O24 | C23 | C17 | C18 | 165.4° | 0.0° |
| O24 | C23 | N25 | H17 | 0.0° | 179.9° |
| O24 | C23 | N25 | H18 | 180.0° | 0.0° |
| C16 | C17 | C23 | C18 | 179.8° | 179.9° |
| C16 | C17 | C23 | N25 | 164.6° | 0.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C15 | H10 | 179.9° | 179.9° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C14 | C12 | C11 | C10 | 179.6° | 180.0° |
| C12 | C14 | C19 | C18 | 178.9° | 177.4° |
| C12 | C14 | C19 | O20 | 5.1° | 5.7° |
| C14 | C12 | C11 | C22 | 0.5° | 0.1° |
| C12 | C14 | C15 | H10 | 2.3° | 1.8° |
| C11 | C12 | C14 | C19 | 30.8° | 44.9° |
| C12 | C11 | C10 | C22 | 179.2° | 180.0° |
| C12 | C11 | C22 | C21 | 11.1° | 68.3° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C22 | H15 | 132.3° | 51.9° |
| C12 | C11 | C22 | H16 | 110.1° | 171.4° |
| C14 | C19 | C18 | C17 | 2.6° | 1.6° |
| C14 | C19 | C18 | O20 | 176.0° | 176.8° |
| C14 | C19 | O20 | C21 | 67.6° | 79.7° |
| C19 | C14 | C15 | H10 | 177.3° | 178.5° |
| C14 | C19 | C18 | H12 | 177.4° | 178.4° |
| C23 | C17 | C18 | C19 | 179.8° | 179.9° |
| C23 | C17 | C16 | H11 | 1.5° | 0.8° |
| C23 | C17 | C18 | H12 | 0.2° | 0.1° |
| C17 | C23 | N25 | H17 | 179.4° | 0.0° |
| C17 | C23 | N25 | H18 | 0.6° | 180.0° |
| C18 | C17 | C23 | N25 | 15.2° | 180.0° |
| C17 | C18 | C19 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | O20 | 178.6° | 175.2° |
| C18 | C17 | C16 | H11 | 178.6° | 179.1° |
| C23 | N25 | H17 | H18 | 180.0° | 180.0° |
| C10 | C11 | C22 | C21 | 169.9° | 111.7° |
| C10 | C11 | C22 | H15 | 48.7° | 128.0° |
| C10 | C11 | C22 | H16 | 68.9° | 8.5° |
| C18 | C19 | O20 | C21 | 108.4° | 103.4° |
| C19 | O20 | C21 | C22 | 90.8° | 45.5° |
| O20 | C19 | C18 | H12 | 1.4° | 4.8° |
| C19 | O20 | C21 | H13 | 29.5° | 165.9° |
| C19 | O20 | C21 | H14 | 148.8° | 74.8° |
| C11 | C22 | C21 | O20 | 33.1° | 43.1° |
| C11 | C22 | C21 | H15 | 121.2° | 120.2° |
| C11 | C22 | C21 | H16 | 121.2° | 120.2° |
| C22 | C11 | C10 | H9 | 0.8° | 0.0° |
| C11 | C22 | C21 | H13 | 87.2° | 77.3° |
| C11 | C22 | C21 | H14 | 153.5° | 163.4° |
| C11 | C22 | H15 | H16 | 116.1° | 119.5° |
| O20 | C21 | C22 | H13 | 120.4° | 120.4° |
| O20 | C21 | C22 | H14 | 120.4° | 120.3° |
| O20 | C21 | H13 | H14 | 118.9° | 119.3° |
| O20 | C21 | C22 | H15 | 88.1° | 77.2° |
| O20 | C21 | C22 | H16 | 154.3° | 163.3° |
| C22 | C21 | H13 | H14 | 118.9° | 119.2° |
| C21 | C22 | H15 | H16 | 116.1° | 119.6° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 62.7° | 180.0° |
| H2 | C1 | C2 | H4 | 177.3° | 60.0° |
| H3 | C1 | C2 | H4 | 57.4° | 60.0° |
| H4 | C2 | C3 | H5 | 62.7° | 60.0° |
| H4 | C2 | C3 | H6 | 57.3° | 60.0° |
| H4 | C2 | C3 | H7 | 177.3° | 180.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.1° |
| H10 | C15 | C16 | H11 | 0.0° | 0.1° |
| H13 | C21 | C22 | H15 | 151.6° | 162.4° |
| H13 | C21 | C22 | H16 | 34.0° | 42.9° |
| H14 | C21 | C22 | H15 | 32.3° | 43.1° |
| H14 | C21 | C22 | H16 | 85.3° | 76.4° |
