VEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C3 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| O | C2 | doub | 1.21Å | 1.23Å | |
| O1 | C4 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.35Å | 1.37Å | |
| C3 | N1 | sing | 1.47Å | 1.49Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| N1 | C7 | sing | 1.40Å | 1.44Å | |
| C2 | N | sing | 1.35Å | 1.33Å | |
| C12 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.46Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C16 | C13 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| N | H22 | sing | 0.97Å | 1.00Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C19 | C20 | 123.4° | 120.8° |
| C19 | N2 | C18 | 117.2° | 121.8° |
| N2 | C19 | H28 | 118.3° | 119.7° |
| C19 | C20 | C21 | 118.2° | 119.1° |
| C19 | C20 | H10 | 120.9° | 120.5° |
| C20 | C19 | H28 | 118.3° | 119.6° |
| N2 | C18 | C17 | 124.2° | 120.7° |
| N2 | C18 | H29 | 117.9° | 119.6° |
| C20 | C21 | C17 | 120.2° | 118.4° |
| C21 | C20 | H10 | 120.9° | 120.4° |
| C20 | C21 | H11 | 119.9° | 120.8° |
| C18 | C17 | C21 | 116.8° | 119.2° |
| C18 | C17 | C3 | 122.0° | 120.4° |
| C17 | C18 | H29 | 117.9° | 119.7° |
| C21 | C17 | C3 | 121.0° | 120.4° |
| C17 | C21 | H11 | 119.9° | 120.8° |
| C17 | C3 | N1 | 117.1° | 109.5° |
| C17 | C3 | C2 | 111.7° | 109.5° |
| C17 | C3 | H21 | 104.0° | 109.5° |
| C6 | C5 | C4 | 110.8° | 109.5° |
| C6 | C5 | H1 | 109.1° | 109.5° |
| C6 | C5 | H2 | 109.1° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| O | C2 | C3 | 120.8° | 120.0° |
| O | C2 | N | 124.1° | 120.0° |
| O1 | C4 | C5 | 119.9° | 120.0° |
| O1 | C4 | N1 | 121.7° | 120.0° |
| C5 | C4 | N1 | 118.4° | 120.0° |
| C4 | C5 | H1 | 109.1° | 109.4° |
| C4 | C5 | H2 | 109.1° | 109.5° |
| C4 | N1 | C3 | 121.7° | 120.0° |
| C4 | N1 | C7 | 121.7° | 120.0° |
| N1 | C3 | C2 | 114.2° | 109.5° |
| C3 | N1 | C7 | 116.5° | 120.0° |
| N1 | C3 | H21 | 104.3° | 109.4° |
| C3 | C2 | N | 115.1° | 120.0° |
| C2 | C3 | H21 | 103.8° | 109.5° |
| N1 | C7 | C12 | 120.6° | 120.0° |
| N1 | C7 | C8 | 120.4° | 120.1° |
| C2 | N | C1 | 122.6° | 120.0° |
| C2 | N | H22 | 118.7° | 119.9° |
| C7 | C12 | C11 | 120.2° | 119.9° |
| C12 | C7 | C8 | 119.0° | 119.9° |
| C7 | C12 | H12 | 119.9° | 120.1° |
| C12 | C11 | C10 | 121.2° | 120.1° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C11 | H13 | 119.4° | 119.9° |
| C7 | C8 | C9 | 120.2° | 119.9° |
| C7 | C8 | H6 | 119.9° | 120.0° |
| C11 | C10 | C9 | 118.1° | 120.2° |
| C11 | C10 | C13 | 121.7° | 119.9° |
| C10 | C11 | H13 | 119.4° | 120.0° |
| N | C1 | C | 111.6° | 109.5° |
| C1 | N | H22 | 118.7° | 120.1° |
| N | C1 | H23 | 109.0° | 109.4° |
| N | C1 | H24 | 109.0° | 109.5° |
| C | C1 | H23 | 108.9° | 109.5° |
| C | C1 | H24 | 108.9° | 109.5° |
| C1 | C | H25 | 109.5° | 109.5° |
| C1 | C | H26 | 109.5° | 109.5° |
| C1 | C | H27 | 109.5° | 109.5° |
| C16 | C13 | C10 | 112.5° | 109.4° |
| C16 | C13 | C14 | 107.7° | 109.5° |
| C16 | C13 | C15 | 107.6° | 109.5° |
| C13 | C16 | H14 | 109.5° | 109.5° |
| C13 | C16 | H15 | 109.4° | 109.5° |
| C13 | C16 | H16 | 109.5° | 109.5° |
| C8 | C9 | C10 | 121.2° | 120.1° |
| C9 | C8 | H6 | 119.9° | 120.0° |
| C8 | C9 | H20 | 119.4° | 120.0° |
| C9 | C10 | C13 | 120.2° | 119.9° |
| C10 | C9 | H20 | 119.4° | 120.0° |
| C10 | C13 | C14 | 109.5° | 109.5° |
| C10 | C13 | C15 | 110.9° | 109.5° |
| C14 | C13 | C15 | 108.4° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C13 | C14 | H18 | 109.4° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | C15 | H7 | 109.5° | 109.4° |
| C13 | C15 | H8 | 109.5° | 109.5° |
| C13 | C15 | H9 | 109.4° | 109.4° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.4° | 109.6° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.4° |
| H25 | C | H26 | 109.5° | 109.4° |
| H25 | C | H27 | 109.5° | 109.4° |
| H26 | C | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C19 | C20 | H28 | 180.0° | 179.7° |
| N2 | C19 | C20 | C21 | 0.1° | 0.3° |
| C19 | N2 | C18 | C17 | 0.7° | 0.0° |
| N2 | C19 | C20 | H10 | 179.9° | 179.7° |
| C19 | N2 | C18 | H29 | 179.3° | 179.9° |
| C20 | C19 | N2 | C18 | 0.3° | 0.3° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C17 | 0.3° | 0.0° |
| C19 | C20 | C21 | H11 | 179.7° | 180.0° |
| N2 | C18 | C17 | H29 | 180.0° | 179.9° |
| N2 | C18 | C17 | C21 | 1.0° | 0.3° |
| N2 | C18 | C17 | C3 | 172.9° | 180.0° |
| C18 | N2 | C19 | H28 | 179.7° | 179.9° |
| C20 | C21 | C17 | C18 | 0.7° | 0.3° |
| C20 | C21 | C17 | H11 | 180.0° | 180.0° |
| C20 | C21 | C17 | C3 | 173.2° | 180.0° |
| C21 | C20 | C19 | H28 | 179.9° | 180.0° |
| C18 | C17 | C21 | C3 | 173.9° | 179.7° |
| C18 | C17 | C3 | N1 | 52.4° | 4.9° |
| C18 | C17 | C3 | C2 | 81.8° | 115.2° |
| C18 | C17 | C21 | H11 | 179.3° | 179.7° |
| C18 | C17 | C3 | H21 | 166.8° | 124.8° |
| C21 | C17 | C3 | N1 | 134.0° | 174.9° |
| C21 | C17 | C3 | C2 | 91.8° | 65.1° |
| C17 | C21 | C20 | H10 | 179.7° | 180.0° |
| C21 | C17 | C3 | H21 | 19.6° | 55.0° |
| C21 | C17 | C18 | H29 | 179.0° | 179.8° |
| C17 | C3 | C2 | O | 52.9° | 135.3° |
| C17 | C3 | N1 | C4 | 41.4° | 57.9° |
| C17 | C3 | N1 | C2 | 133.1° | 120.1° |
| C17 | C3 | N1 | H21 | 114.2° | 119.9° |
| C17 | C3 | C2 | H21 | 111.5° | 120.0° |
| C17 | C3 | N1 | C7 | 142.6° | 122.4° |
| C17 | C3 | C2 | N | 125.6° | 44.7° |
| C3 | C17 | C21 | H11 | 6.8° | 0.0° |
| C3 | C17 | C18 | H29 | 7.1° | 0.1° |
| C6 | C5 | C4 | O1 | 52.4° | 10.0° |
| C6 | C5 | C4 | H1 | 120.2° | 120.0° |
| C6 | C5 | C4 | H2 | 120.2° | 120.1° |
| C6 | C5 | C4 | N1 | 125.9° | 170.1° |
| C6 | C5 | H1 | H2 | 119.4° | 120.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| O | C2 | C3 | N1 | 82.7° | 15.2° |
| O | C2 | C3 | N | 178.5° | 180.0° |
| O | C2 | N | C1 | 9.9° | 0.0° |
| O | C2 | C3 | H21 | 164.4° | 104.7° |
| O | C2 | N | H22 | 170.1° | 180.0° |
| O1 | C4 | C5 | N1 | 178.3° | 179.9° |
| O1 | C4 | N1 | C3 | 6.9° | 21.4° |
| O1 | C4 | N1 | C7 | 168.9° | 158.3° |
| O1 | C4 | C5 | H1 | 67.8° | 130.0° |
| O1 | C4 | C5 | H2 | 172.6° | 110.1° |
| C5 | C4 | N1 | C3 | 171.4° | 158.5° |
| C5 | C4 | N1 | C7 | 12.9° | 21.7° |
| C4 | C5 | H1 | H2 | 119.4° | 120.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 60.0° | 60.0° |
| C4 | C5 | C6 | H5 | 60.0° | 59.9° |
| C4 | N1 | C3 | C7 | 176.0° | 179.7° |
| C4 | N1 | C3 | C2 | 174.6° | 62.2° |
| C4 | N1 | C7 | C12 | 95.5° | 138.6° |
| C4 | N1 | C7 | C8 | 84.9° | 41.2° |
| N1 | C4 | C5 | H1 | 113.9° | 50.1° |
| N1 | C4 | C5 | H2 | 5.7° | 69.9° |
| C4 | N1 | C3 | H21 | 72.8° | 177.8° |
| N1 | C3 | C2 | H21 | 112.9° | 119.9° |
| N1 | C3 | C2 | N | 98.8° | 164.7° |
| C3 | N1 | C7 | C12 | 88.6° | 41.2° |
| C3 | N1 | C7 | C8 | 91.1° | 139.1° |
| C2 | C3 | N1 | C7 | 9.5° | 117.6° |
| C3 | C2 | N | C1 | 171.7° | 180.0° |
| C3 | C2 | N | H22 | 8.3° | 0.0° |
| N1 | C7 | C12 | C8 | 179.7° | 179.8° |
| N1 | C7 | C12 | C11 | 178.6° | 180.0° |
| N1 | C7 | C8 | C9 | 178.8° | 180.0° |
| N1 | C7 | C8 | H6 | 1.3° | 0.1° |
| N1 | C7 | C12 | H12 | 1.4° | 0.0° |
| C7 | N1 | C3 | H21 | 103.2° | 2.4° |
| C2 | N | C1 | H22 | 180.0° | 180.0° |
| C2 | N | C1 | C | 68.9° | 180.0° |
| N | C2 | C3 | H21 | 14.1° | 75.3° |
| C2 | N | C1 | H23 | 51.4° | 59.9° |
| C2 | N | C1 | H24 | 170.7° | 60.0° |
| C7 | C12 | C11 | H12 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C7 | C8 | C9 | 0.9° | 0.2° |
| C12 | C7 | C8 | H6 | 179.1° | 179.9° |
| C7 | C12 | C11 | H13 | 179.9° | 179.9° |
| C11 | C12 | C7 | C8 | 1.1° | 0.2° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.0° | 0.3° |
| C12 | C11 | C10 | C13 | 176.2° | 180.0° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C12 | H12 | 178.9° | 179.7° |
| C7 | C8 | C9 | H20 | 179.8° | 180.0° |
| C11 | C10 | C13 | C16 | 9.4° | 120.3° |
| C11 | C10 | C9 | C8 | 1.2° | 0.3° |
| C11 | C10 | C9 | C13 | 177.2° | 179.6° |
| C11 | C10 | C13 | C14 | 110.3° | 119.7° |
| C11 | C10 | C13 | C15 | 130.0° | 0.4° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C10 | C9 | H20 | 178.8° | 179.8° |
| N | C1 | C | H23 | 120.3° | 120.0° |
| N | C1 | C | H24 | 120.3° | 120.0° |
| N | C1 | H23 | H24 | 119.1° | 119.9° |
| N | C1 | C | H25 | 180.0° | 180.0° |
| N | C1 | C | H26 | 60.0° | 60.0° |
| N | C1 | C | H27 | 60.0° | 60.0° |
| C | C1 | N | H22 | 111.1° | 0.0° |
| C | C1 | H23 | H24 | 119.0° | 120.0° |
| C1 | C | H25 | H26 | 120.0° | 120.0° |
| C1 | C | H25 | H27 | 120.0° | 120.0° |
| C1 | C | H26 | H27 | 120.0° | 120.0° |
| C16 | C13 | C10 | C9 | 173.4° | 60.0° |
| C16 | C13 | C10 | C14 | 119.8° | 120.0° |
| C16 | C13 | C10 | C15 | 120.6° | 120.0° |
| C16 | C13 | C14 | C15 | 116.2° | 120.0° |
| C16 | C13 | C15 | H7 | 180.0° | 60.0° |
| C16 | C13 | C15 | H8 | 60.0° | 60.1° |
| C16 | C13 | C15 | H9 | 60.0° | 180.0° |
| C13 | C16 | H14 | H15 | 120.0° | 120.0° |
| C13 | C16 | H14 | H16 | 120.0° | 120.0° |
| C13 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C13 | C14 | H17 | 180.0° | 180.0° |
| C16 | C13 | C14 | H18 | 60.0° | 60.0° |
| C16 | C13 | C14 | H19 | 60.0° | 60.0° |
| C8 | C9 | C10 | H20 | 180.0° | 179.9° |
| C8 | C9 | C10 | C13 | 176.1° | 179.9° |
| C9 | C10 | C13 | C14 | 66.8° | 60.0° |
| C9 | C10 | C13 | C15 | 52.9° | 180.0° |
| C10 | C9 | C8 | H6 | 179.8° | 179.9° |
| C9 | C10 | C11 | H13 | 179.0° | 179.7° |
| C10 | C13 | C14 | C15 | 121.2° | 120.0° |
| C10 | C13 | C15 | H7 | 56.5° | 59.9° |
| C10 | C13 | C15 | H8 | 63.4° | 180.0° |
| C10 | C13 | C15 | H9 | 176.5° | 60.0° |
| C13 | C10 | C11 | H13 | 3.8° | 0.0° |
| C10 | C13 | C16 | H14 | 180.0° | 60.0° |
| C10 | C13 | C16 | H15 | 60.0° | 180.0° |
| C10 | C13 | C16 | H16 | 60.0° | 60.0° |
| C10 | C13 | C14 | H17 | 57.3° | 60.0° |
| C10 | C13 | C14 | H18 | 177.3° | 180.0° |
| C10 | C13 | C14 | H19 | 62.7° | 60.0° |
| C13 | C10 | C9 | H20 | 3.9° | 0.1° |
| C14 | C13 | C15 | H7 | 63.7° | 180.0° |
| C14 | C13 | C15 | H8 | 176.3° | 59.9° |
| C14 | C13 | C15 | H9 | 56.3° | 60.0° |
| C14 | C13 | C16 | H14 | 59.2° | 60.0° |
| C14 | C13 | C16 | H15 | 179.2° | 60.0° |
| C14 | C13 | C16 | H16 | 60.8° | 180.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C13 | C14 | H17 | H19 | 120.0° | 120.0° |
| C13 | C14 | H18 | H19 | 120.0° | 120.0° |
| C13 | C15 | H7 | H8 | 120.0° | 120.0° |
| C13 | C15 | H7 | H9 | 120.0° | 119.9° |
| C13 | C15 | H8 | H9 | 120.0° | 119.9° |
| C15 | C13 | C16 | H14 | 57.5° | 180.0° |
| C15 | C13 | C16 | H15 | 62.5° | 60.0° |
| C15 | C13 | C16 | H16 | 177.5° | 60.0° |
| C15 | C13 | C14 | H17 | 63.9° | 60.0° |
| C15 | C13 | C14 | H18 | 56.2° | 60.0° |
| C15 | C13 | C14 | H19 | 176.2° | 180.0° |
| H1 | C5 | C6 | H3 | 59.8° | 60.0° |
| H1 | C5 | C6 | H4 | 60.2° | 180.0° |
| H1 | C5 | C6 | H5 | 179.8° | 60.0° |
| H2 | C5 | C6 | H3 | 59.8° | 60.0° |
| H2 | C5 | C6 | H4 | 179.8° | 60.0° |
| H2 | C5 | C6 | H5 | 60.2° | 180.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C8 | C9 | H20 | 0.2° | 0.0° |
| H7 | C15 | H8 | H9 | 120.0° | 120.1° |
| H10 | C20 | C21 | H11 | 0.3° | 0.0° |
| H10 | C20 | C19 | H28 | 0.1° | 0.0° |
| H12 | C12 | C11 | H13 | 0.2° | 0.0° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H22 | N | C1 | H23 | 128.6° | 120.1° |
| H22 | N | C1 | H24 | 9.3° | 120.0° |
| H23 | C1 | C | H25 | 59.7° | 60.0° |
| H23 | C1 | C | H26 | 179.7° | 180.0° |
| H23 | C1 | C | H27 | 60.3° | 60.0° |
| H24 | C1 | C | H25 | 59.7° | 60.0° |
| H24 | C1 | C | H26 | 60.4° | 60.0° |
| H24 | C1 | C | H27 | 179.7° | 180.0° |
| H25 | C | H26 | H27 | 120.0° | 120.0° |
