VGA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.29Å | 1.31Å | |
| N1 | C7 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C2 | N13 | sing | 1.37Å | 1.38Å | |
| C3 | N5 | sing | 1.46Å | 1.47Å | |
| C3 | C22 | sing | 1.51Å | 1.49Å | |
| C4 | N5 | doub | 1.29Å | 1.28Å | |
| C4 | C6 | sing | 1.47Å | 1.48Å | |
| C4 | C12 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.49Å | |
| N13 | C16 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C15 | O27 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | S23 | sing | 1.76Å | 1.75Å | Aromatic |
| C22 | C26 | doub | 1.33Å | 1.33Å | Aromatic |
| S23 | C24 | sing | 1.76Å | 1.76Å | Aromatic |
| C24 | C25 | doub | 1.33Å | 1.33Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O27 | H27 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C7 | 124.9° | 125.7° |
| N1 | C2 | C3 | 118.3° | 122.3° |
| N1 | C2 | N13 | 120.5° | 118.9° |
| N1 | C7 | C6 | 124.6° | 123.3° |
| N1 | C7 | C8 | 118.8° | 117.4° |
| C3 | C2 | N13 | 121.2° | 118.9° |
| C2 | C3 | N5 | 106.4° | 108.9° |
| C2 | C3 | C22 | 121.7° | 109.6° |
| C2 | C3 | H3 | 102.1° | 109.6° |
| C2 | N13 | C14 | 134.9° | 136.0° |
| C2 | N13 | C16 | 135.0° | 136.1° |
| N5 | C3 | C22 | 105.8° | 109.6° |
| C3 | N5 | C4 | 115.6° | 121.4° |
| N5 | C3 | H3 | 119.1° | 109.6° |
| C3 | C22 | S23 | 118.8° | 125.2° |
| C3 | C22 | C26 | 129.7° | 125.2° |
| C22 | C3 | H3 | 102.7° | 109.7° |
| N5 | C4 | C6 | 125.6° | 124.3° |
| N5 | C4 | C12 | 119.0° | 117.9° |
| C6 | C4 | C12 | 114.8° | 117.8° |
| C4 | C6 | C7 | 119.2° | 123.0° |
| C4 | C6 | C11 | 120.7° | 117.7° |
| C4 | C12 | C17 | 121.6° | 120.1° |
| C4 | C12 | C21 | 119.5° | 120.1° |
| C7 | C6 | C11 | 119.9° | 119.3° |
| C6 | C7 | C8 | 116.3° | 119.2° |
| C6 | C11 | C10 | 122.6° | 120.5° |
| C6 | C11 | H11 | 118.7° | 119.8° |
| C7 | C8 | C9 | 123.8° | 120.5° |
| C7 | C8 | H8 | 118.1° | 119.8° |
| C8 | C9 | C10 | 120.7° | 120.2° |
| C9 | C8 | H8 | 118.1° | 119.7° |
| C8 | C9 | H9 | 119.6° | 119.9° |
| C9 | C10 | C11 | 116.7° | 120.2° |
| C10 | C9 | H9 | 119.6° | 119.9° |
| C9 | C10 | H10 | 121.7° | 119.9° |
| C10 | C11 | H11 | 118.7° | 119.7° |
| C11 | C10 | H10 | 121.6° | 119.9° |
| C17 | C12 | C21 | 118.7° | 119.7° |
| C12 | C17 | C18 | 120.4° | 119.8° |
| C12 | C17 | H17 | 119.8° | 120.1° |
| C12 | C21 | C20 | 120.5° | 119.9° |
| C12 | C21 | H21 | 119.7° | 120.1° |
| C14 | N13 | C16 | 90.1° | 87.9° |
| N13 | C14 | C15 | 90.4° | 88.0° |
| N13 | C14 | H141 | 116.4° | 113.5° |
| N13 | C14 | H142 | 119.9° | 113.5° |
| N13 | C16 | C15 | 91.7° | 87.9° |
| N13 | C16 | H161 | 115.9° | 113.4° |
| N13 | C16 | H162 | 119.2° | 113.5° |
| C14 | C15 | C16 | 86.4° | 83.3° |
| C14 | C15 | O27 | 115.6° | 114.2° |
| C15 | C14 | H141 | 116.4° | 113.5° |
| C15 | C14 | H142 | 119.9° | 113.5° |
| C14 | C15 | H15 | 120.9° | 114.2° |
| C16 | C15 | O27 | 112.1° | 114.4° |
| C15 | C16 | H161 | 115.9° | 113.5° |
| C15 | C16 | H162 | 119.2° | 113.6° |
| C16 | C15 | H15 | 124.0° | 114.1° |
| O27 | C15 | H15 | 99.0° | 113.4° |
| C15 | O27 | H27 | 109.5° | 114.0° |
| C17 | C18 | C19 | 120.4° | 120.2° |
| C18 | C17 | H17 | 119.8° | 120.1° |
| C17 | C18 | H18 | 119.8° | 119.9° |
| C18 | C19 | C20 | 120.0° | 120.3° |
| C19 | C18 | H18 | 119.8° | 119.9° |
| C18 | C19 | H19 | 120.0° | 119.8° |
| C19 | C20 | C21 | 119.9° | 120.1° |
| C20 | C19 | H19 | 120.0° | 119.9° |
| C19 | C20 | H20 | 120.0° | 119.9° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| S23 | C22 | C26 | 111.3° | 109.6° |
| C22 | S23 | C24 | 90.0° | 91.0° |
| C22 | C26 | C25 | 113.4° | 114.9° |
| C22 | C26 | H26 | 123.3° | 122.5° |
| S23 | C24 | C25 | 110.2° | 109.6° |
| S23 | C24 | H24 | 124.9° | 125.2° |
| C24 | C25 | C26 | 115.1° | 114.9° |
| C25 | C24 | H24 | 124.9° | 125.2° |
| C24 | C25 | H25 | 122.5° | 122.6° |
| C25 | C26 | H26 | 123.3° | 122.6° |
| C26 | C25 | H25 | 122.4° | 122.5° |
| H141 | C14 | H142 | 95.8° | 112.8° |
| H161 | C16 | H162 | 96.7° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | N13 | 178.0° | 179.9° |
| N1 | C2 | C3 | N5 | 68.6° | 64.3° |
| N1 | C2 | C3 | C22 | 170.3° | 55.5° |
| C2 | N1 | C7 | C6 | 37.7° | 40.9° |
| C2 | N1 | C7 | C8 | 137.1° | 139.3° |
| N1 | C2 | N13 | C14 | 5.6° | 0.0° |
| N1 | C2 | N13 | C16 | 175.3° | 179.7° |
| N1 | C2 | C3 | H3 | 56.9° | 175.9° |
| C7 | N1 | C2 | C3 | 4.8° | 2.2° |
| C7 | N1 | C2 | N13 | 177.1° | 177.9° |
| N1 | C7 | C6 | C4 | 9.6° | 1.0° |
| N1 | C7 | C6 | C8 | 174.9° | 179.8° |
| N1 | C7 | C6 | C11 | 176.4° | 179.2° |
| N1 | C7 | C8 | C9 | 176.1° | 179.4° |
| N1 | C7 | C8 | H8 | 3.8° | 0.6° |
| C2 | C3 | N5 | C22 | 130.8° | 119.8° |
| C2 | C3 | N5 | H3 | 114.4° | 119.8° |
| C2 | C3 | C22 | H3 | 113.1° | 120.3° |
| C2 | C3 | N5 | C4 | 75.6° | 62.8° |
| C3 | C2 | N13 | C14 | 176.4° | 179.9° |
| C3 | C2 | N13 | C16 | 2.7° | 0.4° |
| C2 | C3 | C22 | S23 | 121.4° | 26.9° |
| C2 | C3 | C22 | C26 | 63.5° | 152.7° |
| N13 | C2 | C3 | N5 | 109.4° | 115.6° |
| N13 | C2 | C3 | C22 | 11.7° | 124.6° |
| C2 | N13 | C14 | C16 | 179.3° | 179.8° |
| C2 | N13 | C14 | C15 | 171.9° | 152.9° |
| C2 | N13 | C16 | C15 | 171.8° | 153.0° |
| N13 | C2 | C3 | H3 | 125.1° | 4.2° |
| C2 | N13 | C14 | H141 | 68.1° | 38.2° |
| C2 | N13 | C14 | H142 | 46.5° | 92.3° |
| C2 | N13 | C16 | H161 | 51.8° | 92.3° |
| C2 | N13 | C16 | H162 | 63.1° | 38.1° |
| N5 | C3 | C22 | H3 | 125.6° | 120.3° |
| C3 | N5 | C4 | C6 | 4.5° | 0.7° |
| C3 | N5 | C4 | C12 | 174.8° | 179.3° |
| N5 | C3 | C22 | S23 | 0.0° | 146.3° |
| N5 | C3 | C22 | C26 | 175.2° | 33.3° |
| C22 | C3 | N5 | C4 | 153.7° | 57.0° |
| C3 | C22 | S23 | C26 | 176.0° | 179.7° |
| C3 | C22 | S23 | C24 | 176.7° | 179.9° |
| C3 | C22 | C26 | C25 | 176.5° | 179.9° |
| C3 | C22 | C26 | H26 | 3.5° | 0.1° |
| N5 | C4 | C6 | C12 | 170.7° | 180.0° |
| N5 | C4 | C6 | C7 | 46.7° | 39.7° |
| N5 | C4 | C6 | C11 | 139.3° | 140.1° |
| N5 | C4 | C12 | C17 | 12.8° | 156.5° |
| N5 | C4 | C12 | C21 | 162.7° | 23.2° |
| C4 | N5 | C3 | H3 | 38.9° | 177.4° |
| C4 | C6 | C7 | C11 | 174.0° | 179.8° |
| C4 | C6 | C7 | C8 | 175.5° | 179.3° |
| C4 | C6 | C11 | C10 | 175.2° | 179.5° |
| C6 | C4 | C12 | C17 | 175.9° | 23.6° |
| C6 | C4 | C12 | C21 | 8.7° | 156.8° |
| C4 | C6 | C11 | H11 | 4.8° | 0.6° |
| C12 | C4 | C6 | C7 | 124.0° | 140.3° |
| C12 | C4 | C6 | C11 | 50.0° | 39.9° |
| C4 | C12 | C17 | C21 | 175.5° | 179.7° |
| C4 | C12 | C17 | C18 | 178.0° | 179.9° |
| C4 | C12 | C21 | C20 | 178.6° | 179.7° |
| C4 | C12 | C17 | H17 | 2.1° | 0.1° |
| C4 | C12 | C21 | H21 | 1.4° | 0.1° |
| C6 | C7 | C8 | C9 | 0.9° | 0.4° |
| C7 | C6 | C11 | C10 | 1.3° | 0.4° |
| C7 | C6 | C11 | H11 | 178.8° | 179.6° |
| C6 | C7 | C8 | H8 | 179.1° | 179.6° |
| C11 | C6 | C7 | C8 | 1.5° | 0.6° |
| C6 | C11 | C10 | C9 | 0.3° | 0.0° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | H10 | 179.8° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.3° |
| C8 | C9 | C10 | H10 | 179.6° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | H9 | 179.6° | 179.7° |
| C12 | C17 | C18 | H17 | 180.0° | 180.0° |
| C12 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C12 | C21 | C20 | 3.0° | 0.6° |
| C17 | C12 | C21 | H21 | 177.0° | 179.8° |
| C12 | C17 | C18 | H18 | 179.7° | 180.0° |
| C21 | C12 | C17 | C18 | 2.5° | 0.3° |
| C12 | C21 | C20 | C19 | 1.5° | 0.6° |
| C12 | C21 | C20 | H21 | 180.0° | 179.7° |
| C21 | C12 | C17 | H17 | 177.5° | 179.7° |
| C12 | C21 | C20 | H20 | 178.5° | 179.7° |
| N13 | C14 | C15 | H141 | 120.0° | 114.8° |
| N13 | C14 | C15 | H142 | 125.4° | 114.8° |
| C14 | N13 | C16 | C15 | 8.9° | 27.3° |
| N13 | C14 | C15 | O27 | 121.3° | 87.5° |
| N13 | C14 | H141 | H142 | 127.6° | 130.8° |
| C14 | N13 | C16 | H161 | 128.9° | 87.5° |
| C14 | N13 | C16 | H162 | 116.3° | 142.1° |
| N13 | C14 | C15 | H15 | 119.5° | 139.6° |
| N13 | C16 | C15 | H161 | 120.0° | 114.7° |
| N13 | C16 | C15 | H162 | 125.2° | 114.8° |
| N13 | C16 | C15 | O27 | 124.8° | 87.3° |
| C16 | N13 | C14 | H141 | 111.3° | 142.1° |
| C16 | N13 | C14 | H142 | 134.2° | 87.5° |
| N13 | C16 | H161 | H162 | 127.1° | 130.7° |
| N13 | C16 | C15 | H15 | 116.7° | 139.8° |
| C14 | C15 | C16 | O27 | 116.2° | 113.6° |
| C14 | C15 | C16 | H15 | 125.3° | 113.6° |
| C14 | C15 | O27 | H15 | 130.7° | 133.3° |
| C15 | C14 | H141 | H142 | 127.6° | 130.8° |
| C14 | C15 | C16 | H161 | 128.6° | 88.5° |
| C14 | C15 | C16 | H162 | 116.6° | 141.0° |
| C14 | C15 | O27 | H27 | 103.2° | 180.0° |
| C16 | C15 | O27 | H15 | 132.4° | 133.1° |
| C16 | C15 | C14 | H141 | 111.5° | 141.0° |
| C16 | C15 | C14 | H142 | 133.9° | 88.5° |
| C15 | C16 | H161 | H162 | 127.1° | 130.9° |
| C16 | C15 | O27 | H27 | 160.0° | 86.4° |
| O27 | C15 | C14 | H141 | 1.3° | 27.3° |
| O27 | C15 | C14 | H142 | 113.3° | 157.7° |
| O27 | C15 | C16 | H161 | 115.2° | 158.0° |
| O27 | C15 | C16 | H162 | 0.4° | 27.4° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.2° | 0.0° |
| C17 | C18 | C19 | H19 | 178.8° | 179.9° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.3° |
| C19 | C18 | C17 | H17 | 179.6° | 180.0° |
| C18 | C19 | C20 | H20 | 179.3° | 179.9° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 178.5° | 179.7° |
| C20 | C19 | C18 | H18 | 178.8° | 180.0° |
| C21 | C20 | C19 | H19 | 179.3° | 179.8° |
| C22 | S23 | C24 | C25 | 0.1° | 0.0° |
| S23 | C22 | C26 | C25 | 1.1° | 0.5° |
| S23 | C22 | C3 | H3 | 125.5° | 93.3° |
| S23 | C22 | C26 | H26 | 178.9° | 179.8° |
| C22 | S23 | C24 | H24 | 179.9° | 179.9° |
| C26 | C22 | S23 | C24 | 0.7° | 0.2° |
| C22 | C26 | C25 | C24 | 1.0° | 0.5° |
| C22 | C26 | C25 | H26 | 180.0° | 179.8° |
| C26 | C22 | C3 | H3 | 49.6° | 87.0° |
| C22 | C26 | C25 | H25 | 179.0° | 179.8° |
| S23 | C24 | C25 | H24 | 180.0° | 179.9° |
| S23 | C24 | C25 | C26 | 0.5° | 0.3° |
| S23 | C24 | C25 | H25 | 179.5° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 179.0° | 179.7° |
| C26 | C25 | C24 | H24 | 179.5° | 179.8° |
| H11 | C11 | C10 | H10 | 0.2° | 0.1° |
| H8 | C8 | C9 | H9 | 0.0° | 0.0° |
| H9 | C9 | C10 | H10 | 0.4° | 0.2° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| H21 | C21 | C20 | H20 | 1.5° | 0.1° |
| H141 | C14 | C15 | H15 | 120.5° | 105.6° |
| H142 | C14 | C15 | H15 | 6.0° | 24.8° |
| H161 | C16 | C15 | H15 | 3.3° | 25.1° |
| H162 | C16 | C15 | H15 | 118.1° | 105.4° |
| H15 | C15 | O27 | H27 | 27.5° | 46.8° |
| H18 | C18 | C19 | H19 | 1.3° | 0.0° |
| H19 | C19 | C20 | H20 | 0.7° | 0.1° |
| H26 | C26 | C25 | H25 | 1.0° | 0.1° |
| H24 | C24 | C25 | H25 | 0.5° | 0.1° |
