VJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C13 | sing | 1.74Å | 1.73Å | |
| N3 | C13 | doub | 1.32Å | 1.32Å | Aromatic |
| N3 | C12 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.43Å | 1.44Å | |
| C14 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | N4 | trip | 1.14Å | 1.13Å | |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.39Å | 1.39Å | |
| N2 | C9 | sing | 1.40Å | 1.42Å | |
| C21 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| N6 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C18 | C1 | sing | 1.51Å | 1.57Å | |
| C18 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.38Å | 1.34Å | |
| C17 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C17 | C2 | sing | 1.47Å | 1.48Å | |
| C19 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | N1 | sing | 1.38Å | 1.40Å | |
| C2 | C3 | doub | 1.37Å | 1.37Å | |
| N1 | C5 | sing | 1.46Å | 1.46Å | |
| N1 | C4 | sing | 1.34Å | 1.40Å | |
| C3 | C4 | sing | 1.40Å | 1.44Å | |
| C4 | O | doub | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C13 | N3 | 116.3° | 119.7° |
| CL | C13 | C14 | 118.7° | 119.7° |
| C13 | N3 | C12 | 116.8° | 122.1° |
| N3 | C13 | C14 | 125.0° | 120.6° |
| N3 | C12 | C11 | 124.1° | 121.2° |
| N3 | C12 | H6 | 118.0° | 119.4° |
| C13 | C14 | C15 | 122.1° | 120.7° |
| C13 | C14 | C10 | 117.7° | 118.7° |
| C12 | C11 | C10 | 119.0° | 119.3° |
| C11 | C12 | H6 | 117.9° | 119.4° |
| C12 | C11 | H7 | 120.5° | 120.4° |
| C15 | C14 | C10 | 120.2° | 120.6° |
| C14 | C15 | N4 | 178.4° | 180.0° |
| C14 | C10 | C11 | 117.4° | 118.1° |
| C14 | C10 | N2 | 121.5° | 120.9° |
| C11 | C10 | N2 | 121.1° | 120.9° |
| C10 | C11 | H7 | 120.5° | 120.4° |
| C10 | N2 | C9 | 125.4° | 120.0° |
| C10 | N2 | H8 | 117.3° | 120.0° |
| N2 | C9 | C8 | 119.5° | 119.9° |
| N2 | C9 | C16 | 120.9° | 119.9° |
| C9 | N2 | H8 | 117.3° | 120.0° |
| N6 | C21 | C20 | 123.3° | 119.1° |
| C21 | N6 | C18 | 114.8° | 120.7° |
| N6 | C21 | H16 | 118.4° | 120.4° |
| C21 | C20 | C19 | 116.2° | 118.4° |
| C20 | C21 | H16 | 118.4° | 120.5° |
| C21 | C20 | H17 | 121.9° | 120.8° |
| C8 | C9 | C16 | 119.6° | 120.2° |
| C9 | C8 | C7 | 120.3° | 120.6° |
| C9 | C8 | H9 | 119.9° | 119.7° |
| C9 | C16 | C17 | 120.7° | 119.5° |
| C9 | C16 | H11 | 119.7° | 120.2° |
| N6 | C18 | C1 | 116.2° | 119.1° |
| N6 | C18 | N5 | 127.6° | 121.8° |
| C8 | C7 | C6 | 120.6° | 120.0° |
| C7 | C8 | H9 | 119.9° | 119.7° |
| C8 | C7 | H10 | 119.7° | 120.0° |
| C20 | C19 | N5 | 123.6° | 119.1° |
| C19 | C20 | H17 | 121.9° | 120.8° |
| C20 | C19 | H18 | 118.2° | 120.4° |
| C16 | C17 | C6 | 119.1° | 120.1° |
| C16 | C17 | C2 | 122.2° | 121.1° |
| C17 | C16 | H11 | 119.6° | 120.3° |
| C | C1 | C18 | 108.1° | 109.5° |
| C | C1 | N | 109.6° | 109.5° |
| C | C1 | H1 | 109.3° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C18 | N5 | 116.2° | 119.1° |
| C18 | C1 | N | 110.8° | 109.5° |
| C18 | C1 | H1 | 108.8° | 109.4° |
| C18 | N5 | C19 | 114.6° | 120.8° |
| C7 | C6 | C17 | 119.8° | 119.6° |
| C7 | C6 | N1 | 120.1° | 120.8° |
| C6 | C7 | H10 | 119.7° | 120.0° |
| C1 | N | C2 | 121.8° | 120.0° |
| N | C1 | H1 | 110.1° | 109.5° |
| C1 | N | H12 | 106.3° | 120.0° |
| N | C2 | C17 | 116.6° | 120.9° |
| N | C2 | C3 | 124.7° | 120.8° |
| C2 | N | H12 | 106.3° | 120.0° |
| C6 | C17 | C2 | 118.0° | 118.9° |
| C17 | C6 | N1 | 120.1° | 119.6° |
| C17 | C2 | C3 | 118.7° | 118.3° |
| N5 | C19 | H18 | 118.2° | 120.5° |
| C6 | N1 | C5 | 119.0° | 119.4° |
| C6 | N1 | C4 | 123.3° | 121.2° |
| C2 | C3 | C4 | 122.9° | 120.1° |
| C2 | C3 | H2 | 118.5° | 119.9° |
| C5 | N1 | C4 | 117.7° | 119.4° |
| N1 | C5 | H3 | 109.5° | 109.4° |
| N1 | C5 | H4 | 109.5° | 109.5° |
| N1 | C5 | H5 | 109.5° | 109.5° |
| N1 | C4 | C3 | 116.1° | 121.9° |
| N1 | C4 | O | 119.8° | 119.0° |
| C3 | C4 | O | 124.1° | 119.0° |
| C4 | C3 | H2 | 118.5° | 120.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.4° |
| H13 | C | H15 | 109.4° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C13 | N3 | C14 | 178.2° | 180.0° |
| CL | C13 | N3 | C12 | 177.8° | 180.0° |
| CL | C13 | C14 | C15 | 5.8° | 0.0° |
| CL | C13 | C14 | C10 | 176.1° | 180.0° |
| C13 | N3 | C12 | C11 | 1.2° | 0.3° |
| N3 | C13 | C14 | C15 | 176.0° | 180.0° |
| N3 | C13 | C14 | C10 | 2.0° | 0.0° |
| C13 | N3 | C12 | H6 | 178.9° | 179.7° |
| C12 | N3 | C13 | C14 | 0.4° | 0.0° |
| N3 | C12 | C11 | H6 | 180.0° | 179.4° |
| N3 | C12 | C11 | C10 | 1.1° | 0.5° |
| N3 | C12 | C11 | H7 | 178.9° | 180.0° |
| C13 | C14 | C15 | C10 | 178.0° | 180.0° |
| C13 | C14 | C15 | N4 | 3.9° | 3.9° |
| C13 | C14 | C10 | C11 | 2.0° | 0.3° |
| C13 | C14 | C10 | N2 | 177.4° | 180.0° |
| C12 | C11 | C10 | C14 | 0.6° | 0.5° |
| C12 | C11 | C10 | H7 | 180.0° | 179.5° |
| C12 | C11 | C10 | N2 | 178.8° | 179.8° |
| C15 | C14 | C10 | C11 | 176.1° | 179.7° |
| C15 | C14 | C10 | N2 | 4.5° | 0.0° |
| C10 | C14 | C15 | N4 | 174.1° | 176.1° |
| C14 | C10 | C11 | N2 | 179.3° | 179.7° |
| C14 | C10 | N2 | C9 | 169.7° | 172.3° |
| C14 | C10 | C11 | H7 | 179.4° | 180.0° |
| C14 | C10 | N2 | H8 | 10.3° | 7.8° |
| C11 | C10 | N2 | C9 | 11.0° | 7.4° |
| C10 | C11 | C12 | H6 | 178.9° | 180.0° |
| C11 | C10 | N2 | H8 | 169.0° | 172.5° |
| C10 | N2 | C9 | H8 | 180.0° | 179.9° |
| C10 | N2 | C9 | C8 | 69.3° | 138.2° |
| C10 | N2 | C9 | C16 | 109.7° | 41.8° |
| N2 | C10 | C11 | H7 | 1.3° | 0.3° |
| N2 | C9 | C8 | C16 | 179.0° | 179.9° |
| N2 | C9 | C8 | C7 | 177.9° | 180.0° |
| N2 | C9 | C16 | C17 | 178.6° | 180.0° |
| N2 | C9 | C8 | H9 | 2.1° | 0.1° |
| N2 | C9 | C16 | H11 | 1.4° | 0.1° |
| N6 | C21 | C20 | H16 | 180.0° | 180.0° |
| N6 | C21 | C20 | C19 | 0.4° | 0.1° |
| C21 | N6 | C18 | C1 | 178.2° | 180.0° |
| C21 | N6 | C18 | N5 | 0.3° | 0.3° |
| N6 | C21 | C20 | H17 | 179.6° | 180.0° |
| C20 | C21 | N6 | C18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H17 | 180.0° | 179.9° |
| C21 | C20 | C19 | N5 | 0.1° | 0.3° |
| C21 | C20 | C19 | H18 | 179.9° | 180.0° |
| C9 | C8 | C7 | H9 | 180.0° | 179.9° |
| C8 | C9 | C16 | C17 | 0.4° | 0.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C8 | C9 | N2 | H8 | 110.7° | 41.7° |
| C9 | C8 | C7 | H10 | 179.6° | 179.9° |
| C8 | C9 | C16 | H11 | 179.6° | 180.0° |
| C16 | C9 | C8 | C7 | 1.1° | 0.0° |
| C9 | C16 | C17 | H11 | 180.0° | 179.9° |
| C9 | C16 | C17 | C6 | 1.1° | 0.0° |
| C9 | C16 | C17 | C2 | 171.6° | 180.0° |
| C16 | C9 | N2 | H8 | 70.3° | 138.3° |
| C16 | C9 | C8 | H9 | 178.9° | 179.9° |
| N6 | C18 | C1 | C | 89.4° | 74.7° |
| N6 | C18 | C1 | N5 | 178.7° | 179.7° |
| N6 | C18 | C1 | N | 30.7° | 45.3° |
| N6 | C18 | N5 | C19 | 0.8° | 0.6° |
| N6 | C18 | C1 | H1 | 151.9° | 165.3° |
| C18 | N6 | C21 | H16 | 179.7° | 180.0° |
| C8 | C7 | C6 | H10 | 180.0° | 180.0° |
| C8 | C7 | C6 | C17 | 1.2° | 0.0° |
| C8 | C7 | C6 | N1 | 176.8° | 179.9° |
| C20 | C19 | N5 | C18 | 0.6° | 0.6° |
| C20 | C19 | N5 | H18 | 180.0° | 179.7° |
| C19 | C20 | C21 | H16 | 179.6° | 180.0° |
| C16 | C17 | C6 | C7 | 1.9° | 0.0° |
| C16 | C17 | C2 | N | 0.2° | 0.3° |
| C16 | C17 | C6 | C2 | 170.9° | 180.0° |
| C16 | C17 | C6 | N1 | 176.1° | 179.9° |
| C16 | C17 | C2 | C3 | 178.9° | 180.0° |
| C | C1 | C18 | N | 120.1° | 120.0° |
| C | C1 | C18 | H1 | 118.6° | 120.0° |
| C | C1 | C18 | N5 | 91.9° | 105.0° |
| C | C1 | N | H1 | 120.3° | 120.0° |
| C | C1 | N | C2 | 174.2° | 85.0° |
| C | C1 | N | H12 | 52.5° | 95.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.1° |
| C1 | C | H14 | H15 | 120.0° | 120.1° |
| C18 | C1 | N | H1 | 120.5° | 120.0° |
| C18 | C1 | N | C2 | 66.6° | 155.0° |
| C1 | C18 | N5 | C19 | 177.7° | 179.7° |
| C18 | C1 | N | H12 | 171.7° | 25.0° |
| C18 | C1 | C | H13 | 180.0° | 60.0° |
| C18 | C1 | C | H14 | 60.0° | 180.0° |
| C18 | C1 | C | H15 | 60.0° | 60.0° |
| N5 | C18 | C1 | N | 148.0° | 135.0° |
| N5 | C18 | C1 | H1 | 26.8° | 15.0° |
| C18 | N5 | C19 | H18 | 179.4° | 179.7° |
| C7 | C6 | C17 | N1 | 178.0° | 179.9° |
| C7 | C6 | C17 | C2 | 172.8° | 180.0° |
| C7 | C6 | N1 | C5 | 1.5° | 0.1° |
| C7 | C6 | N1 | C4 | 177.7° | 180.0° |
| C6 | C7 | C8 | H9 | 179.7° | 179.9° |
| C1 | N | C2 | H12 | 121.7° | 179.9° |
| C1 | N | C2 | C17 | 177.2° | 179.7° |
| C1 | N | C2 | C3 | 4.2° | 0.0° |
| N | C1 | C | H13 | 59.1° | 60.0° |
| N | C1 | C | H14 | 179.1° | 60.0° |
| N | C1 | C | H15 | 60.9° | 180.0° |
| N | C2 | C17 | C6 | 170.8° | 179.7° |
| N | C2 | C17 | C3 | 178.7° | 179.7° |
| N | C2 | C3 | C4 | 170.2° | 179.8° |
| C2 | N | C1 | H1 | 53.9° | 35.0° |
| N | C2 | C3 | H2 | 9.8° | 0.3° |
| C6 | C17 | C2 | C3 | 10.5° | 0.0° |
| C17 | C6 | N1 | C5 | 179.5° | 180.0° |
| C17 | C6 | N1 | C4 | 0.3° | 0.1° |
| C17 | C6 | C7 | H10 | 178.8° | 179.9° |
| C6 | C17 | C16 | H11 | 178.9° | 180.0° |
| C2 | C17 | C6 | N1 | 5.2° | 0.1° |
| C17 | C2 | C3 | C4 | 11.2° | 0.1° |
| C17 | C2 | C3 | H2 | 168.8° | 180.0° |
| C2 | C17 | C16 | H11 | 8.4° | 0.0° |
| C17 | C2 | N | H12 | 61.1° | 0.3° |
| N5 | C19 | C20 | H17 | 179.9° | 179.7° |
| C6 | N1 | C5 | C4 | 179.2° | 179.9° |
| C6 | N1 | C4 | C3 | 0.4° | 0.0° |
| C6 | N1 | C4 | O | 180.0° | 180.0° |
| C6 | N1 | C5 | H3 | 180.0° | 90.1° |
| C6 | N1 | C5 | H4 | 60.0° | 150.0° |
| C6 | N1 | C5 | H5 | 60.0° | 29.9° |
| N1 | C6 | C7 | H10 | 3.2° | 0.0° |
| C2 | C3 | C4 | N1 | 6.2° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | O | 174.2° | 179.9° |
| C3 | C2 | N | H12 | 117.5° | 180.0° |
| C5 | N1 | C4 | C3 | 179.6° | 179.9° |
| C5 | N1 | C4 | O | 0.8° | 0.1° |
| N1 | C5 | H3 | H4 | 120.0° | 120.0° |
| N1 | C5 | H3 | H5 | 120.0° | 120.0° |
| N1 | C5 | H4 | H5 | 120.0° | 120.0° |
| N1 | C4 | C3 | O | 179.6° | 180.0° |
| N1 | C4 | C3 | H2 | 173.8° | 180.0° |
| C4 | N1 | C5 | H3 | 0.7° | 90.0° |
| C4 | N1 | C5 | H4 | 120.8° | 29.9° |
| C4 | N1 | C5 | H5 | 119.3° | 150.0° |
| O | C4 | C3 | H2 | 5.8° | 0.1° |
| H1 | C1 | N | H12 | 67.8° | 144.9° |
| H1 | C1 | C | H13 | 61.7° | 180.0° |
| H1 | C1 | C | H14 | 58.3° | 60.1° |
| H1 | C1 | C | H15 | 178.3° | 60.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H6 | C12 | C11 | H7 | 1.0° | 0.6° |
| H9 | C8 | C7 | H10 | 0.3° | 0.2° |
| H13 | C | H14 | H15 | 119.9° | 119.9° |
| H16 | C21 | C20 | H17 | 0.4° | 0.0° |
| H17 | C20 | C19 | H18 | 0.1° | 0.0° |
