5VS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | doub | 1.22Å | 1.21Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| N4 | C5 | sing | 1.35Å | 1.33Å | |
| N4 | C2 | sing | 1.46Å | 1.45Å | |
| C5 | C7 | sing | 1.48Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | N13 | sing | 1.46Å | 1.48Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| N13 | C12 | sing | 1.39Å | 1.41Å | |
| C8 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N21 | sing | 1.40Å | 1.40Å | |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| N21 | C22 | sing | 1.39Å | 1.41Å | |
| N21 | C30 | sing | 1.35Å | 1.37Å | |
| C22 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| O31 | C30 | doub | 1.22Å | 1.22Å | |
| C30 | N28 | sing | 1.35Å | 1.35Å | |
| C27 | N28 | sing | 1.39Å | 1.40Å | |
| C27 | N26 | doub | 1.32Å | 1.34Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | N4 | 115.7° | 121.3° |
| O6 | C5 | C7 | 123.8° | 121.3° |
| C3 | C2 | N4 | 110.2° | 109.1° |
| C3 | C2 | C1 | 108.8° | 109.1° |
| C3 | C2 | N13 | 110.2° | 109.1° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C5 | N4 | C2 | 122.5° | 119.7° |
| N4 | C5 | C7 | 120.4° | 117.3° |
| C5 | N4 | H11 | 118.8° | 120.1° |
| N4 | C2 | C1 | 102.4° | 109.1° |
| N4 | C2 | N13 | 113.4° | 111.2° |
| C2 | N4 | H11 | 118.7° | 120.2° |
| C5 | C7 | C8 | 121.5° | 121.4° |
| C5 | C7 | C12 | 118.3° | 118.3° |
| C1 | C2 | N13 | 111.5° | 109.1° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | N13 | C14 | 115.0° | 111.0° |
| C2 | N13 | C12 | 120.2° | 112.4° |
| C19 | C20 | C15 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.5° | 120.0° |
| C19 | C20 | H3 | 120.0° | 120.0° |
| C20 | C19 | H18 | 120.3° | 120.0° |
| C20 | C15 | C14 | 122.1° | 120.0° |
| C20 | C15 | C16 | 120.8° | 120.0° |
| C15 | C20 | H3 | 120.0° | 120.0° |
| C19 | C18 | C17 | 120.8° | 120.0° |
| C19 | C18 | H17 | 119.6° | 120.0° |
| C18 | C19 | H18 | 120.3° | 120.0° |
| C8 | C7 | C12 | 120.1° | 120.3° |
| C7 | C8 | C9 | 120.0° | 119.7° |
| C7 | C8 | H1 | 120.0° | 120.1° |
| C7 | C12 | N13 | 118.7° | 119.6° |
| C7 | C12 | C11 | 118.7° | 119.4° |
| C14 | N13 | C12 | 124.1° | 111.0° |
| N13 | C14 | C15 | 118.9° | 109.5° |
| N13 | C14 | H14 | 107.1° | 109.5° |
| N13 | C14 | H15 | 107.1° | 109.5° |
| N13 | C12 | C11 | 122.6° | 121.0° |
| C8 | C9 | C10 | 120.4° | 120.4° |
| C9 | C8 | H1 | 120.0° | 120.2° |
| C8 | C9 | H12 | 119.8° | 119.7° |
| C14 | C15 | C16 | 117.2° | 120.0° |
| C15 | C14 | H14 | 107.1° | 109.5° |
| C15 | C14 | H15 | 107.1° | 109.4° |
| C15 | C16 | C17 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C18 | C17 | H2 | 120.3° | 120.0° |
| C17 | C18 | H17 | 119.6° | 120.0° |
| C12 | C11 | C10 | 121.0° | 119.7° |
| C12 | C11 | H13 | 119.5° | 120.2° |
| C16 | C17 | H2 | 120.2° | 120.0° |
| C17 | C16 | H16 | 120.2° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.5° |
| C9 | C10 | N21 | 121.6° | 119.7° |
| C10 | C9 | H12 | 119.8° | 119.8° |
| C11 | C10 | N21 | 118.7° | 119.8° |
| C10 | C11 | H13 | 119.5° | 120.2° |
| C10 | N21 | C22 | 125.9° | 125.9° |
| C10 | N21 | C30 | 126.6° | 126.0° |
| C22 | C23 | C24 | 118.9° | 118.2° |
| C23 | C22 | N21 | 133.7° | 133.7° |
| C23 | C22 | C27 | 119.2° | 119.4° |
| C22 | C23 | H19 | 120.5° | 120.9° |
| C23 | C24 | C25 | 119.5° | 119.3° |
| C23 | C24 | H4 | 120.3° | 120.3° |
| C24 | C23 | H19 | 120.6° | 120.9° |
| C22 | N21 | C30 | 107.5° | 108.2° |
| N21 | C22 | C27 | 107.1° | 106.9° |
| N21 | C30 | O31 | 125.6° | 125.1° |
| N21 | C30 | N28 | 110.3° | 109.7° |
| C22 | C27 | N28 | 106.7° | 106.6° |
| C22 | C27 | N26 | 120.6° | 120.3° |
| C24 | C25 | N26 | 120.3° | 121.2° |
| C25 | C24 | H4 | 120.2° | 120.3° |
| C24 | C25 | H20 | 119.8° | 119.4° |
| O31 | C30 | N28 | 124.2° | 125.2° |
| C30 | N28 | C27 | 108.4° | 108.6° |
| C30 | N28 | H21 | 125.8° | 125.7° |
| N28 | C27 | N26 | 132.7° | 133.1° |
| C27 | N28 | H21 | 125.8° | 125.7° |
| C27 | N26 | C25 | 121.5° | 121.6° |
| N26 | C25 | H20 | 119.8° | 119.4° |
| H5 | C1 | H6 | 109.4° | 109.4° |
| H5 | C1 | H7 | 109.4° | 109.4° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H8 | C3 | H10 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | N4 | C7 | 177.3° | 179.7° |
| O6 | C5 | N4 | C2 | 179.5° | 177.7° |
| O6 | C5 | C7 | C8 | 10.9° | 17.5° |
| O6 | C5 | C7 | C12 | 168.3° | 162.7° |
| O6 | C5 | N4 | H11 | 0.6° | 2.3° |
| C3 | C2 | N4 | C5 | 145.8° | 83.1° |
| C3 | C2 | N4 | C1 | 115.7° | 119.1° |
| C3 | C2 | N4 | N13 | 124.1° | 120.4° |
| C3 | C2 | C1 | N13 | 121.8° | 119.2° |
| C3 | C2 | N13 | C14 | 34.9° | 167.9° |
| C3 | C2 | N13 | C12 | 154.3° | 67.1° |
| C3 | C2 | C1 | H5 | 180.0° | 174.5° |
| C3 | C2 | C1 | H6 | 60.0° | 54.5° |
| C3 | C2 | C1 | H7 | 60.0° | 65.6° |
| C2 | C3 | H8 | H9 | 120.0° | 120.1° |
| C2 | C3 | H8 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C3 | C2 | N4 | H11 | 34.2° | 96.9° |
| C5 | N4 | C2 | H11 | 180.0° | 180.0° |
| C5 | N4 | C2 | C1 | 98.5° | 157.7° |
| C5 | N4 | C2 | N13 | 21.7° | 37.3° |
| N4 | C5 | C7 | C8 | 171.9° | 162.9° |
| N4 | C5 | C7 | C12 | 8.8° | 17.0° |
| C2 | N4 | C5 | C7 | 3.2° | 2.7° |
| N4 | C2 | C1 | N13 | 121.6° | 121.7° |
| N4 | C2 | N13 | C14 | 159.0° | 71.7° |
| N4 | C2 | N13 | C12 | 30.3° | 53.3° |
| N4 | C2 | C1 | H5 | 63.4° | 55.3° |
| N4 | C2 | C1 | H6 | 56.6° | 64.6° |
| N4 | C2 | C1 | H7 | 176.6° | 175.3° |
| N4 | C2 | C3 | H8 | 180.0° | 59.1° |
| N4 | C2 | C3 | H9 | 60.0° | 60.9° |
| N4 | C2 | C3 | H10 | 60.0° | 179.1° |
| C5 | C7 | C8 | C12 | 179.2° | 179.9° |
| C5 | C7 | C12 | N13 | 0.1° | 0.8° |
| C5 | C7 | C8 | C9 | 178.2° | 179.7° |
| C5 | C7 | C12 | C11 | 179.2° | 179.6° |
| C5 | C7 | C8 | H1 | 1.9° | 0.3° |
| C7 | C5 | N4 | H11 | 176.8° | 177.3° |
| C1 | C2 | N13 | C14 | 86.1° | 48.7° |
| C1 | C2 | N13 | C12 | 84.7° | 173.7° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 68.5° | 60.0° |
| C1 | C2 | C3 | H9 | 51.5° | 180.0° |
| C1 | C2 | C3 | H10 | 171.5° | 60.0° |
| C1 | C2 | N4 | H11 | 81.5° | 22.3° |
| C2 | N13 | C12 | C7 | 19.9° | 36.1° |
| C2 | N13 | C14 | C12 | 170.3° | 125.8° |
| C2 | N13 | C14 | C15 | 131.9° | 169.6° |
| C2 | N13 | C12 | C11 | 160.9° | 144.3° |
| N13 | C2 | C1 | H5 | 58.2° | 66.4° |
| N13 | C2 | C1 | H6 | 178.2° | 173.7° |
| N13 | C2 | C1 | H7 | 61.8° | 53.6° |
| N13 | C2 | C3 | H8 | 54.1° | 179.2° |
| N13 | C2 | C3 | H9 | 174.1° | 60.8° |
| N13 | C2 | C3 | H10 | 65.9° | 59.2° |
| N13 | C2 | N4 | H11 | 158.3° | 142.7° |
| C2 | N13 | C14 | H14 | 106.7° | 49.6° |
| C2 | N13 | C14 | H15 | 10.6° | 70.4° |
| C19 | C20 | C15 | H3 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 179.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.2° | 0.3° |
| C20 | C19 | C18 | C17 | 0.7° | 0.3° |
| C20 | C19 | C18 | H17 | 179.2° | 180.0° |
| C15 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | C15 | C14 | N13 | 23.1° | 90.3° |
| C20 | C15 | C14 | C16 | 179.9° | 179.7° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C20 | C15 | C14 | H14 | 144.5° | 29.7° |
| C20 | C15 | C14 | H15 | 98.2° | 149.7° |
| C20 | C15 | C16 | H16 | 179.8° | 179.8° |
| C15 | C20 | C19 | H18 | 179.8° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.7° | 0.3° |
| C19 | C18 | C17 | H2 | 179.3° | 179.7° |
| C18 | C19 | C20 | H3 | 179.8° | 180.0° |
| C8 | C7 | C12 | N13 | 179.4° | 179.4° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.1° | 0.3° |
| C7 | C8 | C9 | C10 | 0.7° | 0.1° |
| C7 | C8 | C9 | H12 | 179.3° | 180.0° |
| C7 | C12 | N13 | C14 | 170.2° | 89.0° |
| C7 | C12 | N13 | C11 | 179.3° | 179.7° |
| C12 | C7 | C8 | C9 | 1.1° | 0.2° |
| C7 | C12 | C11 | C10 | 1.2° | 0.2° |
| C12 | C7 | C8 | H1 | 178.9° | 179.8° |
| C7 | C12 | C11 | H13 | 178.8° | 179.8° |
| N13 | C14 | C15 | H14 | 121.3° | 120.0° |
| N13 | C14 | C15 | H15 | 121.4° | 120.0° |
| N13 | C14 | C15 | C16 | 156.8° | 90.0° |
| C14 | N13 | C12 | C11 | 9.0° | 90.7° |
| N13 | C14 | H14 | H15 | 115.7° | 120.0° |
| C12 | N13 | C14 | C15 | 57.7° | 64.6° |
| N13 | C12 | C11 | C10 | 178.0° | 179.5° |
| N13 | C12 | C11 | H13 | 2.0° | 0.6° |
| C12 | N13 | C14 | H14 | 63.6° | 175.3° |
| C12 | N13 | C14 | H15 | 179.1° | 55.4° |
| C8 | C9 | C10 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.3° |
| C8 | C9 | C10 | N21 | 178.0° | 179.9° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C20 | H3 | 0.1° | 0.0° |
| C15 | C14 | H14 | H15 | 115.7° | 120.0° |
| C14 | C15 | C16 | H16 | 0.1° | 0.1° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H2 | 179.7° | 179.9° |
| C16 | C15 | C20 | H3 | 179.7° | 179.7° |
| C16 | C15 | C14 | H14 | 35.4° | 150.0° |
| C16 | C15 | C14 | H15 | 81.9° | 30.0° |
| C18 | C17 | C16 | H2 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| C17 | C18 | C19 | H18 | 179.3° | 179.6° |
| C12 | C11 | C10 | C9 | 1.6° | 0.1° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | N21 | 179.1° | 180.0° |
| C16 | C17 | C18 | H17 | 179.2° | 180.0° |
| C9 | C10 | C11 | N21 | 177.4° | 179.9° |
| C9 | C10 | N21 | C22 | 145.4° | 113.5° |
| C9 | C10 | N21 | C30 | 36.1° | 66.4° |
| C10 | C9 | C8 | H1 | 179.2° | 179.9° |
| C9 | C10 | C11 | H13 | 178.4° | 179.9° |
| C11 | C10 | N21 | C22 | 37.2° | 66.6° |
| C11 | C10 | N21 | C30 | 141.3° | 113.4° |
| C11 | C10 | C9 | H12 | 179.4° | 179.8° |
| C10 | N21 | C22 | C23 | 1.7° | 0.3° |
| C10 | N21 | C22 | C30 | 178.7° | 180.0° |
| C10 | N21 | C22 | C27 | 178.5° | 180.0° |
| C10 | N21 | C30 | O31 | 1.6° | 0.1° |
| C10 | N21 | C30 | N28 | 178.8° | 180.0° |
| N21 | C10 | C9 | H12 | 2.0° | 0.1° |
| N21 | C10 | C11 | H13 | 1.0° | 0.1° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C23 | C22 | N21 | C27 | 179.9° | 179.7° |
| C23 | C22 | N21 | C30 | 179.6° | 179.7° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C23 | C22 | C27 | N28 | 179.4° | 179.8° |
| C23 | C22 | C27 | N26 | 0.2° | 0.2° |
| C22 | C23 | C24 | H4 | 179.8° | 179.7° |
| C24 | C23 | C22 | N21 | 179.8° | 179.7° |
| C24 | C23 | C22 | C27 | 0.1° | 0.0° |
| C23 | C24 | C25 | H4 | 180.0° | 179.7° |
| C23 | C24 | C25 | N26 | 0.1° | 0.3° |
| C23 | C24 | C25 | H20 | 179.8° | 179.7° |
| C22 | N21 | C30 | O31 | 179.7° | 179.9° |
| C22 | N21 | C30 | N28 | 0.1° | 0.0° |
| N21 | C22 | C27 | N28 | 0.5° | 0.0° |
| N21 | C22 | C27 | N26 | 180.0° | 180.0° |
| N21 | C22 | C23 | H19 | 0.2° | 0.4° |
| C30 | N21 | C22 | C27 | 0.3° | 0.0° |
| N21 | C30 | O31 | N28 | 179.6° | 179.9° |
| N21 | C30 | N28 | C27 | 0.4° | 0.0° |
| N21 | C30 | N28 | H21 | 179.6° | 180.0° |
| C22 | C27 | N28 | C30 | 0.6° | 0.0° |
| C22 | C27 | N28 | N26 | 179.4° | 180.0° |
| C22 | C27 | N26 | C25 | 0.2° | 0.5° |
| C27 | C22 | C23 | H19 | 179.9° | 180.0° |
| C22 | C27 | N28 | H21 | 179.4° | 180.0° |
| C24 | C25 | N26 | C27 | 0.1° | 0.6° |
| C24 | C25 | N26 | H20 | 180.0° | 179.9° |
| C25 | C24 | C23 | H19 | 179.8° | 180.0° |
| O31 | C30 | N28 | C27 | 180.0° | 179.9° |
| O31 | C30 | N28 | H21 | 0.1° | 0.1° |
| C30 | N28 | C27 | H21 | 180.0° | 180.0° |
| C30 | N28 | C27 | N26 | 180.0° | 180.0° |
| N28 | C27 | N26 | C25 | 179.2° | 179.5° |
| C27 | N26 | C25 | H20 | 179.9° | 179.5° |
| N26 | C27 | N28 | H21 | 0.0° | 0.0° |
| N26 | C25 | C24 | H4 | 179.9° | 180.0° |
| H1 | C8 | C9 | H12 | 0.8° | 0.0° |
| H2 | C17 | C16 | H16 | 0.3° | 0.0° |
| H2 | C17 | C18 | H17 | 0.8° | 0.0° |
| H3 | C20 | C19 | H18 | 0.2° | 0.1° |
| H4 | C24 | C23 | H19 | 0.2° | 0.3° |
| H4 | C24 | C25 | H20 | 0.2° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 119.9° |
| H8 | C3 | H9 | H10 | 120.0° | 119.9° |
| H17 | C18 | C19 | H18 | 0.8° | 0.1° |
