VJ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C17 | sing | 1.74Å | 1.74Å | |
| N5 | C17 | doub | 1.32Å | 1.31Å | Aromatic |
| N5 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.43Å | 1.43Å | |
| C18 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | N6 | trip | 1.14Å | 1.13Å | |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N4 | sing | 1.39Å | 1.39Å | |
| N4 | C13 | sing | 1.40Å | 1.41Å | |
| C13 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C22 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C3 | sing | 1.47Å | 1.47Å | |
| C7 | C4 | sing | 1.51Å | 1.54Å | |
| C7 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.38Å | 1.34Å | |
| C22 | N | sing | 1.38Å | 1.40Å | |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | doub | 1.37Å | 1.36Å | |
| N | C | sing | 1.46Å | 1.46Å | |
| N | C1 | sing | 1.34Å | 1.40Å | |
| C2 | C1 | sing | 1.40Å | 1.44Å | |
| C1 | O | doub | 1.22Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C17 | N5 | 116.2° | 119.7° |
| CL | C17 | C18 | 119.1° | 119.7° |
| C17 | N5 | C16 | 116.8° | 122.1° |
| N5 | C17 | C18 | 124.7° | 120.6° |
| N5 | C16 | C15 | 124.2° | 121.2° |
| N5 | C16 | H15 | 117.9° | 119.4° |
| C17 | C18 | C19 | 122.2° | 120.6° |
| C17 | C18 | C14 | 118.0° | 118.7° |
| C16 | C15 | C14 | 119.1° | 119.3° |
| C16 | C15 | H14 | 120.5° | 120.4° |
| C15 | C16 | H15 | 117.9° | 119.3° |
| C19 | C18 | C14 | 119.7° | 120.6° |
| C18 | C19 | N6 | 178.4° | 180.0° |
| C18 | C14 | C15 | 117.3° | 118.1° |
| C18 | C14 | N4 | 122.1° | 121.0° |
| C15 | C14 | N4 | 120.6° | 121.0° |
| C14 | C15 | H14 | 120.5° | 120.4° |
| C14 | N4 | C13 | 126.2° | 120.0° |
| C14 | N4 | H3 | 116.9° | 120.0° |
| N4 | C13 | C20 | 120.1° | 119.9° |
| N4 | C13 | C12 | 120.2° | 119.9° |
| C13 | N4 | H3 | 116.9° | 120.0° |
| C20 | C13 | C12 | 119.6° | 120.2° |
| C13 | C20 | C21 | 120.4° | 120.6° |
| C13 | C20 | H16 | 119.8° | 119.7° |
| C13 | C12 | C11 | 120.4° | 119.6° |
| C13 | C12 | H13 | 119.8° | 120.2° |
| N3 | C10 | C9 | 123.5° | 119.1° |
| C10 | N3 | C7 | 115.8° | 120.9° |
| N3 | C10 | H12 | 118.3° | 120.5° |
| C10 | C9 | C8 | 116.2° | 118.4° |
| C10 | C9 | H11 | 121.9° | 120.8° |
| C9 | C10 | H12 | 118.3° | 120.4° |
| C20 | C21 | C22 | 120.5° | 120.0° |
| C21 | C20 | H16 | 119.8° | 119.7° |
| C20 | C21 | H17 | 119.8° | 120.0° |
| N3 | C7 | C4 | 117.0° | 119.2° |
| N3 | C7 | N2 | 125.7° | 121.7° |
| C12 | C11 | C22 | 119.4° | 120.1° |
| C12 | C11 | C3 | 122.2° | 121.1° |
| C11 | C12 | H13 | 119.8° | 120.3° |
| C9 | C8 | N2 | 123.5° | 119.1° |
| C9 | C8 | H10 | 118.2° | 120.4° |
| C8 | C9 | H11 | 121.9° | 120.8° |
| C6 | C4 | C7 | 105.8° | 109.5° |
| C6 | C4 | N1 | 108.4° | 109.5° |
| C6 | C4 | C5 | 109.5° | 109.5° |
| C4 | C6 | H7 | 109.5° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.5° |
| C21 | C22 | C11 | 119.7° | 119.6° |
| C21 | C22 | N | 120.3° | 120.8° |
| C22 | C21 | H17 | 119.8° | 120.0° |
| C22 | C11 | C3 | 118.2° | 118.9° |
| C11 | C22 | N | 120.0° | 119.6° |
| C11 | C3 | N1 | 115.3° | 120.8° |
| C11 | C3 | C2 | 119.3° | 118.4° |
| C4 | C7 | N2 | 117.3° | 119.2° |
| C7 | C4 | N1 | 111.7° | 109.5° |
| C7 | C4 | C5 | 112.6° | 109.5° |
| C7 | N2 | C8 | 115.3° | 120.9° |
| C4 | N1 | C3 | 124.5° | 120.0° |
| N1 | C4 | C5 | 108.7° | 109.4° |
| C4 | N1 | H1 | 105.6° | 120.0° |
| N1 | C3 | C2 | 125.4° | 120.8° |
| C3 | N1 | H1 | 105.6° | 120.0° |
| C22 | N | C | 118.7° | 119.4° |
| C22 | N | C1 | 123.4° | 121.2° |
| N2 | C8 | H10 | 118.2° | 120.5° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C3 | C2 | C1 | 122.7° | 120.1° |
| C3 | C2 | H2 | 118.7° | 120.0° |
| C | N | C1 | 117.9° | 119.4° |
| N | C | H18 | 109.5° | 109.4° |
| N | C | H19 | 109.5° | 109.5° |
| N | C | H20 | 109.4° | 109.5° |
| N | C1 | C2 | 116.1° | 121.9° |
| N | C1 | O | 119.5° | 119.1° |
| C2 | C1 | O | 124.3° | 119.0° |
| C1 | C2 | H2 | 118.6° | 119.9° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H6 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H18 | C | H19 | 109.5° | 109.5° |
| H18 | C | H20 | 109.4° | 109.5° |
| H19 | C | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C17 | N5 | C18 | 179.7° | 179.9° |
| CL | C17 | N5 | C16 | 178.8° | 179.7° |
| CL | C17 | C18 | C19 | 4.8° | 0.0° |
| CL | C17 | C18 | C14 | 178.4° | 180.0° |
| C17 | N5 | C16 | C15 | 0.1° | 0.3° |
| N5 | C17 | C18 | C19 | 175.5° | 179.9° |
| N5 | C17 | C18 | C14 | 1.3° | 0.1° |
| C17 | N5 | C16 | H15 | 179.9° | 179.7° |
| C16 | N5 | C17 | C18 | 0.8° | 0.3° |
| N5 | C16 | C15 | H15 | 180.0° | 179.9° |
| N5 | C16 | C15 | C14 | 0.1° | 0.0° |
| N5 | C16 | C15 | H14 | 179.9° | 179.9° |
| C17 | C18 | C19 | C14 | 176.8° | 180.0° |
| C17 | C18 | C19 | N6 | 26.1° | 161.8° |
| C17 | C18 | C14 | C15 | 1.0° | 0.2° |
| C17 | C18 | C14 | N4 | 177.5° | 180.0° |
| C16 | C15 | C14 | C18 | 0.3° | 0.2° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C16 | C15 | C14 | N4 | 178.2° | 180.0° |
| C19 | C18 | C14 | C15 | 176.0° | 179.8° |
| C19 | C18 | C14 | N4 | 5.6° | 0.0° |
| C14 | C18 | C19 | N6 | 150.7° | 18.2° |
| C18 | C14 | C15 | N4 | 178.5° | 179.7° |
| C18 | C14 | N4 | C13 | 178.1° | 172.3° |
| C18 | C14 | N4 | H3 | 1.9° | 7.8° |
| C18 | C14 | C15 | H14 | 179.7° | 179.8° |
| C15 | C14 | N4 | C13 | 3.5° | 8.0° |
| C15 | C14 | N4 | H3 | 176.5° | 172.0° |
| C14 | C15 | C16 | H15 | 179.9° | 180.0° |
| C14 | N4 | C13 | H3 | 180.0° | 180.0° |
| C14 | N4 | C13 | C20 | 63.2° | 139.2° |
| C14 | N4 | C13 | C12 | 112.8° | 40.8° |
| N4 | C14 | C15 | H14 | 1.8° | 0.1° |
| N4 | C13 | C20 | C12 | 176.1° | 180.0° |
| N4 | C13 | C20 | C21 | 174.4° | 180.0° |
| N4 | C13 | C12 | C11 | 174.4° | 180.0° |
| N4 | C13 | C12 | H13 | 5.6° | 0.1° |
| N4 | C13 | C20 | H16 | 5.6° | 0.0° |
| C13 | C20 | C21 | H16 | 180.0° | 180.0° |
| C20 | C13 | C12 | C11 | 1.7° | 0.0° |
| C13 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C13 | N4 | H3 | 116.8° | 40.8° |
| C20 | C13 | C12 | H13 | 178.3° | 179.9° |
| C13 | C20 | C21 | H17 | 179.9° | 180.0° |
| C12 | C13 | C20 | C21 | 1.6° | 0.0° |
| C13 | C12 | C11 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | C22 | 0.3° | 0.0° |
| C13 | C12 | C11 | C3 | 175.6° | 179.8° |
| C12 | C13 | N4 | H3 | 67.2° | 139.2° |
| C12 | C13 | C20 | H16 | 178.4° | 180.0° |
| N3 | C10 | C9 | H12 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | N3 | C7 | C4 | 179.3° | 180.0° |
| C10 | N3 | C7 | N2 | 0.2° | 0.1° |
| N3 | C10 | C9 | H11 | 179.9° | 179.9° |
| C9 | C10 | N3 | C7 | 0.2° | 0.0° |
| C10 | C9 | C8 | H11 | 180.0° | 179.9° |
| C10 | C9 | C8 | N2 | 0.3° | 0.1° |
| C10 | C9 | C8 | H10 | 179.7° | 180.0° |
| C20 | C21 | C22 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | C11 | 1.3° | 0.0° |
| C20 | C21 | C22 | N | 177.5° | 179.9° |
| N3 | C7 | C4 | C6 | 83.6° | 60.0° |
| N3 | C7 | C4 | N2 | 179.6° | 179.9° |
| N3 | C7 | C4 | N1 | 34.2° | 180.0° |
| N3 | C7 | N2 | C8 | 0.0° | 0.1° |
| N3 | C7 | C4 | C5 | 156.9° | 60.0° |
| C7 | N3 | C10 | H12 | 179.8° | 180.0° |
| C12 | C11 | C22 | C21 | 1.2° | 0.0° |
| C12 | C11 | C22 | C3 | 176.0° | 179.8° |
| C12 | C11 | C3 | N1 | 1.6° | 0.1° |
| C12 | C11 | C22 | N | 177.6° | 179.9° |
| C12 | C11 | C3 | C2 | 179.4° | 179.8° |
| C9 | C8 | N2 | C7 | 0.2° | 0.1° |
| C9 | C8 | N2 | H10 | 180.0° | 179.9° |
| C8 | C9 | C10 | H12 | 179.9° | 180.0° |
| C6 | C4 | C7 | N1 | 117.8° | 120.0° |
| C6 | C4 | C7 | C5 | 119.5° | 120.0° |
| C6 | C4 | C7 | N2 | 96.0° | 120.1° |
| C6 | C4 | N1 | C5 | 118.9° | 120.0° |
| C6 | C4 | N1 | C3 | 170.1° | 55.2° |
| C6 | C4 | N1 | H1 | 67.9° | 124.8° |
| C6 | C4 | C5 | H4 | 180.0° | 57.3° |
| C6 | C4 | C5 | H5 | 60.0° | 62.7° |
| C6 | C4 | C5 | H6 | 60.0° | 177.3° |
| C4 | C6 | H7 | H8 | 120.0° | 120.0° |
| C4 | C6 | H7 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H9 | 120.0° | 120.0° |
| C21 | C22 | C11 | N | 178.8° | 180.0° |
| C21 | C22 | C11 | C3 | 177.2° | 179.8° |
| C21 | C22 | N | C | 1.6° | 0.0° |
| C21 | C22 | N | C1 | 177.1° | 179.5° |
| C22 | C21 | C20 | H16 | 179.9° | 180.0° |
| C22 | C11 | C3 | N1 | 177.5° | 179.9° |
| C22 | C11 | C3 | C2 | 3.6° | 0.0° |
| C11 | C22 | N | C | 179.6° | 180.0° |
| C11 | C22 | N | C1 | 1.7° | 0.6° |
| C22 | C11 | C12 | H13 | 179.7° | 179.9° |
| C11 | C22 | C21 | H17 | 178.7° | 180.0° |
| C11 | C3 | N1 | C4 | 170.2° | 173.6° |
| C11 | C3 | N1 | C2 | 178.9° | 179.9° |
| C3 | C11 | C22 | N | 1.6° | 0.3° |
| C11 | C3 | C2 | C1 | 5.7° | 0.0° |
| C11 | C3 | N1 | H1 | 67.7° | 6.4° |
| C11 | C3 | C2 | H2 | 174.4° | 180.0° |
| C3 | C11 | C12 | H13 | 4.5° | 0.1° |
| C7 | C4 | N1 | C5 | 124.8° | 120.0° |
| C7 | C4 | N1 | C3 | 53.8° | 175.2° |
| C4 | C7 | N2 | C8 | 179.5° | 180.0° |
| C7 | C4 | N1 | H1 | 175.9° | 4.8° |
| C7 | C4 | C5 | H4 | 62.6° | 177.3° |
| C7 | C4 | C5 | H5 | 57.4° | 57.3° |
| C7 | C4 | C5 | H6 | 177.4° | 62.7° |
| C7 | C4 | C6 | H7 | 180.0° | 65.7° |
| C7 | C4 | C6 | H8 | 60.0° | 54.3° |
| C7 | C4 | C6 | H9 | 60.0° | 174.3° |
| N2 | C7 | C4 | N1 | 146.2° | 0.0° |
| N2 | C7 | C4 | C5 | 23.5° | 119.9° |
| C7 | N2 | C8 | H10 | 179.8° | 180.0° |
| C4 | N1 | C3 | H1 | 122.1° | 180.0° |
| C4 | N1 | C3 | C2 | 10.9° | 6.5° |
| N1 | C4 | C5 | H4 | 61.7° | 62.7° |
| N1 | C4 | C5 | H5 | 178.3° | 177.3° |
| N1 | C4 | C5 | H6 | 58.2° | 57.3° |
| N1 | C4 | C6 | H7 | 60.0° | 54.3° |
| N1 | C4 | C6 | H8 | 180.0° | 174.3° |
| N1 | C4 | C6 | H9 | 60.0° | 65.7° |
| C3 | N1 | C4 | C5 | 71.0° | 64.8° |
| N1 | C3 | C2 | C1 | 175.5° | 179.9° |
| N1 | C3 | C2 | H2 | 4.5° | 0.0° |
| C22 | N | C | C1 | 178.8° | 179.4° |
| C22 | N | C1 | C2 | 3.4° | 0.6° |
| C22 | N | C1 | O | 176.6° | 179.7° |
| N | C22 | C21 | H17 | 2.5° | 0.1° |
| C22 | N | C | H18 | 180.0° | 90.0° |
| C22 | N | C | H19 | 60.0° | 150.0° |
| C22 | N | C | H20 | 60.0° | 29.9° |
| N2 | C8 | C9 | H11 | 179.7° | 180.0° |
| C5 | C4 | N1 | H1 | 51.0° | 115.2° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H6 | 120.0° | 120.1° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C5 | C4 | C6 | H7 | 58.5° | 174.3° |
| C5 | C4 | C6 | H8 | 61.5° | 65.7° |
| C5 | C4 | C6 | H9 | 178.4° | 54.3° |
| C3 | C2 | C1 | N | 5.5° | 0.3° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 174.5° | 180.0° |
| C2 | C3 | N1 | H1 | 111.1° | 173.6° |
| C | N | C1 | C2 | 177.8° | 180.0° |
| C | N | C1 | O | 2.2° | 0.2° |
| N | C | H18 | H19 | 120.0° | 120.0° |
| N | C | H18 | H20 | 120.0° | 119.9° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| N | C1 | C2 | O | 180.0° | 179.8° |
| N | C1 | C2 | H2 | 174.5° | 179.8° |
| C1 | N | C | H18 | 1.2° | 90.5° |
| C1 | N | C | H19 | 121.2° | 29.5° |
| C1 | N | C | H20 | 118.8° | 149.5° |
| O | C1 | C2 | H2 | 5.5° | 0.0° |
| H4 | C5 | H5 | H6 | 120.0° | 120.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| H10 | C8 | C9 | H11 | 0.3° | 0.1° |
| H11 | C9 | C10 | H12 | 0.1° | 0.1° |
| H14 | C15 | C16 | H15 | 0.1° | 0.0° |
| H16 | C20 | C21 | H17 | 0.1° | 0.0° |
| H18 | C | H19 | H20 | 120.0° | 120.0° |
