MVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C5 | N6 | sing | 1.37Å | 1.32Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.52Å | Aromatic |
| C19 | C16 | sing | 1.51Å | 1.53Å | |
| N6 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | N12 | sing | 1.47Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C2 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N12 | sing | 1.47Å | 1.56Å | |
| C11 | C9 | sing | 1.51Å | 1.54Å | |
| N12 | C15 | sing | 1.47Å | 1.51Å | |
| C9 | C8 | doub | 1.37Å | 1.42Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.52Å | |
| C10 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C1 | sing | 1.53Å | 1.56Å | |
| C15 | C1 | sing | 1.53Å | 1.57Å | |
| C8 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C13 | sing | 1.51Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| C7 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C22 | H20 | 120.2° | 120.0° |
| C22 | C23 | H21 | 119.7° | 120.0° |
| C22 | C21 | C20 | 119.9° | 120.0° |
| C22 | C21 | H19 | 120.1° | 120.0° |
| C21 | C22 | H20 | 120.2° | 120.0° |
| C23 | C24 | C19 | 119.9° | 120.0° |
| C24 | C23 | H21 | 119.7° | 120.0° |
| C23 | C24 | H22 | 120.1° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.0° |
| C21 | C20 | H18 | 120.0° | 120.0° |
| C20 | C21 | H19 | 120.0° | 119.9° |
| C24 | C19 | C20 | 119.9° | 120.0° |
| C24 | C19 | C16 | 120.0° | 120.0° |
| C19 | C24 | H22 | 120.0° | 120.0° |
| C20 | C19 | C16 | 120.1° | 120.0° |
| C19 | C20 | H18 | 120.0° | 120.0° |
| C4 | C5 | N6 | 108.8° | 109.9° |
| C5 | C4 | C3 | 108.0° | 107.0° |
| C5 | C4 | H23 | 126.0° | 126.5° |
| C4 | C5 | H24 | 125.6° | 125.0° |
| C5 | N6 | C2 | 111.2° | 109.9° |
| N6 | C5 | H24 | 125.6° | 125.0° |
| C5 | N6 | H25 | 124.4° | 125.1° |
| C4 | C3 | C2 | 101.4° | 106.0° |
| C4 | C3 | C9 | 134.4° | 134.0° |
| C3 | C4 | H23 | 126.0° | 126.6° |
| C19 | C16 | C17 | 108.7° | 109.4° |
| C19 | C16 | N12 | 112.5° | 109.5° |
| C19 | C16 | H13 | 106.7° | 109.5° |
| N6 | C2 | C3 | 110.5° | 107.2° |
| N6 | C2 | C10 | 128.9° | 133.5° |
| C2 | N6 | H25 | 124.4° | 125.1° |
| C2 | C3 | C9 | 124.2° | 120.0° |
| C3 | C2 | C10 | 120.6° | 119.3° |
| C3 | C9 | C11 | 120.0° | 120.1° |
| C3 | C9 | C8 | 115.4° | 119.8° |
| C17 | C16 | N12 | 115.2° | 109.5° |
| C16 | C17 | C18 | 109.9° | 109.3° |
| C17 | C16 | H13 | 106.5° | 109.5° |
| C16 | C17 | H14 | 109.4° | 109.5° |
| C16 | C17 | H15 | 109.4° | 109.5° |
| C16 | N12 | C11 | 117.5° | 111.0° |
| C16 | N12 | C15 | 106.7° | 111.2° |
| N12 | C16 | H13 | 106.6° | 109.5° |
| C17 | C18 | C1 | 102.6° | 109.1° |
| C18 | C17 | H14 | 109.4° | 109.5° |
| C18 | C17 | H15 | 109.3° | 109.5° |
| C17 | C18 | H16 | 111.1° | 109.5° |
| C17 | C18 | H17 | 111.1° | 109.5° |
| C2 | C10 | C14 | 121.4° | 120.1° |
| C2 | C10 | C7 | 117.5° | 119.8° |
| N12 | C11 | C9 | 114.3° | 109.5° |
| C11 | N12 | C15 | 118.8° | 111.0° |
| N12 | C11 | H3 | 108.3° | 109.5° |
| N12 | C11 | H4 | 108.3° | 109.5° |
| C11 | C9 | C8 | 124.5° | 120.1° |
| C9 | C11 | H3 | 108.3° | 109.5° |
| C9 | C11 | H4 | 108.3° | 109.5° |
| N12 | C15 | C1 | 113.9° | 109.5° |
| N12 | C15 | H11 | 108.4° | 109.5° |
| N12 | C15 | H12 | 108.4° | 109.4° |
| C9 | C8 | C7 | 120.9° | 120.5° |
| C9 | C8 | C13 | 122.8° | 119.8° |
| C14 | C10 | C7 | 121.1° | 120.1° |
| C10 | C14 | H8 | 109.5° | 109.5° |
| C10 | C14 | H9 | 109.5° | 109.5° |
| C10 | C14 | H10 | 109.5° | 109.5° |
| C10 | C7 | C8 | 121.2° | 120.7° |
| C10 | C7 | H26 | 119.4° | 119.7° |
| C18 | C1 | C15 | 111.0° | 109.3° |
| C18 | C1 | H1 | 109.1° | 109.5° |
| C18 | C1 | H2 | 109.1° | 109.5° |
| C1 | C18 | H16 | 111.2° | 109.5° |
| C1 | C18 | H17 | 111.2° | 109.6° |
| C15 | C1 | H1 | 109.1° | 109.5° |
| C15 | C1 | H2 | 109.1° | 109.5° |
| C1 | C15 | H11 | 108.3° | 109.5° |
| C1 | C15 | H12 | 108.3° | 109.5° |
| C7 | C8 | C13 | 116.0° | 119.7° |
| C8 | C7 | H26 | 119.4° | 119.6° |
| C8 | C13 | H5 | 109.5° | 109.5° |
| C8 | C13 | H6 | 109.5° | 109.5° |
| C8 | C13 | H7 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H5 | C13 | H7 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.4° |
| H8 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H20 | 180.0° | 179.8° |
| C22 | C23 | C24 | H21 | 180.0° | 179.8° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C23 | C22 | C21 | H19 | 179.6° | 180.0° |
| C22 | C23 | C24 | H22 | 179.8° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.2° |
| C22 | C21 | C20 | H19 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.0° | 0.0° |
| C22 | C21 | C20 | H18 | 180.0° | 179.9° |
| C21 | C22 | C23 | H21 | 179.7° | 180.0° |
| C23 | C24 | C19 | H22 | 180.0° | 179.5° |
| C23 | C24 | C19 | C20 | 0.6° | 0.6° |
| C23 | C24 | C19 | C16 | 178.3° | 179.7° |
| C24 | C23 | C22 | H20 | 179.6° | 180.0° |
| C21 | C20 | C19 | C24 | 0.5° | 0.3° |
| C21 | C20 | C19 | H18 | 180.0° | 179.9° |
| C21 | C20 | C19 | C16 | 178.1° | 179.9° |
| C20 | C21 | C22 | H20 | 179.5° | 179.8° |
| C24 | C19 | C20 | C16 | 177.6° | 179.7° |
| C24 | C19 | C16 | C17 | 69.3° | 67.4° |
| C24 | C19 | C16 | N12 | 59.6° | 52.6° |
| C24 | C19 | C16 | H13 | 176.2° | 172.6° |
| C24 | C19 | C20 | H18 | 179.5° | 179.8° |
| C19 | C24 | C23 | H21 | 179.8° | 179.7° |
| C20 | C19 | C16 | C17 | 113.1° | 112.3° |
| C20 | C19 | C16 | N12 | 118.0° | 127.7° |
| C20 | C19 | C16 | H13 | 1.4° | 7.7° |
| C19 | C20 | C21 | H19 | 180.0° | 180.0° |
| C20 | C19 | C24 | H22 | 179.4° | 180.0° |
| C4 | C5 | N6 | H24 | 180.0° | 179.7° |
| C5 | C4 | C3 | H23 | 180.0° | 179.9° |
| C4 | C5 | N6 | C2 | 1.1° | 0.5° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | C9 | 179.8° | 180.0° |
| C4 | C5 | N6 | H25 | 178.9° | 179.9° |
| N6 | C5 | C4 | C3 | 0.8° | 0.3° |
| C5 | N6 | C2 | H25 | 180.0° | 179.4° |
| C5 | N6 | C2 | C3 | 1.0° | 0.4° |
| C5 | N6 | C2 | C10 | 177.9° | 179.9° |
| N6 | C5 | C4 | H23 | 179.2° | 179.8° |
| C4 | C3 | C2 | N6 | 0.4° | 0.2° |
| C4 | C3 | C2 | C9 | 180.0° | 180.0° |
| C4 | C3 | C2 | C10 | 178.6° | 180.0° |
| C4 | C3 | C9 | C11 | 0.5° | 0.0° |
| C4 | C3 | C9 | C8 | 178.1° | 180.0° |
| C3 | C4 | C5 | H24 | 179.2° | 180.0° |
| C19 | C16 | C17 | N12 | 127.4° | 120.0° |
| C19 | C16 | C17 | H13 | 114.7° | 120.0° |
| C19 | C16 | N12 | H13 | 116.7° | 120.1° |
| C19 | C16 | C17 | C18 | 170.9° | 179.2° |
| C19 | C16 | N12 | C11 | 46.2° | 54.2° |
| C19 | C16 | N12 | C15 | 177.4° | 178.3° |
| C19 | C16 | C17 | H14 | 69.0° | 59.2° |
| C19 | C16 | C17 | H15 | 50.8° | 60.9° |
| C16 | C19 | C20 | H18 | 1.9° | 0.0° |
| C16 | C19 | C24 | H22 | 1.8° | 0.2° |
| N6 | C2 | C3 | C10 | 179.0° | 179.8° |
| N6 | C2 | C3 | C9 | 179.6° | 179.8° |
| N6 | C2 | C10 | C14 | 0.9° | 0.3° |
| N6 | C2 | C10 | C7 | 178.6° | 179.7° |
| C2 | N6 | C5 | H24 | 178.9° | 179.9° |
| C2 | C3 | C9 | C11 | 179.5° | 180.0° |
| C2 | C3 | C9 | C8 | 1.9° | 0.0° |
| C3 | C2 | C10 | C14 | 177.9° | 180.0° |
| C3 | C2 | C10 | C7 | 2.6° | 0.0° |
| C2 | C3 | C4 | H23 | 179.8° | 180.0° |
| C3 | C2 | N6 | H25 | 179.0° | 179.9° |
| C9 | C3 | C2 | C10 | 1.4° | 0.0° |
| C3 | C9 | C11 | N12 | 92.4° | 94.6° |
| C3 | C9 | C11 | C8 | 178.5° | 180.0° |
| C3 | C9 | C8 | C7 | 3.9° | 0.0° |
| C3 | C9 | C8 | C13 | 178.2° | 180.0° |
| C3 | C9 | C11 | H3 | 146.9° | 145.4° |
| C3 | C9 | C11 | H4 | 28.2° | 25.4° |
| C9 | C3 | C4 | H23 | 0.2° | 0.0° |
| C17 | C16 | N12 | H13 | 117.9° | 120.0° |
| C16 | C17 | C18 | H14 | 120.1° | 120.0° |
| C16 | C17 | C18 | H15 | 120.1° | 119.9° |
| C17 | C16 | N12 | C11 | 171.6° | 174.1° |
| C17 | C16 | N12 | C15 | 52.0° | 61.8° |
| C16 | C17 | C18 | C1 | 62.7° | 57.7° |
| C16 | C17 | H14 | H15 | 119.8° | 120.1° |
| C16 | C17 | C18 | H16 | 178.4° | 62.2° |
| C16 | C17 | C18 | H17 | 56.2° | 177.6° |
| N12 | C16 | C17 | C18 | 61.8° | 59.2° |
| C16 | N12 | C11 | C15 | 131.1° | 124.2° |
| C16 | N12 | C11 | C9 | 169.5° | 176.5° |
| C16 | N12 | C15 | C1 | 50.8° | 61.8° |
| C16 | N12 | C11 | H3 | 69.8° | 56.4° |
| C16 | N12 | C11 | H4 | 48.8° | 63.5° |
| C16 | N12 | C15 | H11 | 69.9° | 178.2° |
| C16 | N12 | C15 | H12 | 171.4° | 58.2° |
| N12 | C16 | C17 | H14 | 58.3° | 60.8° |
| N12 | C16 | C17 | H15 | 178.2° | 179.1° |
| C17 | C18 | C1 | H16 | 118.9° | 119.9° |
| C17 | C18 | C1 | H17 | 118.9° | 119.9° |
| C17 | C18 | C1 | C15 | 63.0° | 57.7° |
| C17 | C18 | C1 | H1 | 57.2° | 177.6° |
| C17 | C18 | C1 | H2 | 176.8° | 62.3° |
| C18 | C17 | C16 | H13 | 56.2° | 60.8° |
| C18 | C17 | H14 | H15 | 119.8° | 120.1° |
| C17 | C18 | H16 | H17 | 123.2° | 120.1° |
| C2 | C10 | C14 | C7 | 179.5° | 180.0° |
| C2 | C10 | C7 | C8 | 0.6° | 0.0° |
| C2 | C10 | C14 | H8 | 90.3° | 90.0° |
| C2 | C10 | C14 | H9 | 149.7° | 150.0° |
| C2 | C10 | C14 | H10 | 29.7° | 30.0° |
| C10 | C2 | N6 | H25 | 2.1° | 0.4° |
| C2 | C10 | C7 | H26 | 179.4° | 180.0° |
| N12 | C11 | C9 | H3 | 120.7° | 120.0° |
| N12 | C11 | C9 | H4 | 120.7° | 120.0° |
| N12 | C11 | C9 | C8 | 89.0° | 85.4° |
| C11 | N12 | C15 | C1 | 173.5° | 174.1° |
| N12 | C11 | H3 | H4 | 117.8° | 120.0° |
| C11 | N12 | C15 | H11 | 65.9° | 54.1° |
| C11 | N12 | C15 | H12 | 52.8° | 65.9° |
| C11 | N12 | C16 | H13 | 70.5° | 65.9° |
| C9 | C11 | N12 | C15 | 59.4° | 59.3° |
| C11 | C9 | C8 | C7 | 177.5° | 180.0° |
| C11 | C9 | C8 | C13 | 3.2° | 0.0° |
| C9 | C11 | H3 | H4 | 117.8° | 120.0° |
| N12 | C15 | C1 | C18 | 61.4° | 59.2° |
| N12 | C15 | C1 | H11 | 120.7° | 120.0° |
| N12 | C15 | C1 | H12 | 120.7° | 120.0° |
| N12 | C15 | C1 | H1 | 58.8° | 179.1° |
| N12 | C15 | C1 | H2 | 178.4° | 60.8° |
| C15 | N12 | C11 | H3 | 61.3° | 179.4° |
| C15 | N12 | C11 | H4 | 179.9° | 60.7° |
| N12 | C15 | H11 | H12 | 118.0° | 120.0° |
| C15 | N12 | C16 | H13 | 65.9° | 58.2° |
| C9 | C8 | C7 | C10 | 2.8° | 0.0° |
| C9 | C8 | C7 | C13 | 174.6° | 180.0° |
| C8 | C9 | C11 | H3 | 31.7° | 34.6° |
| C8 | C9 | C11 | H4 | 150.3° | 154.6° |
| C9 | C8 | C13 | H5 | 93.1° | 85.0° |
| C9 | C8 | C13 | H6 | 146.9° | 34.9° |
| C9 | C8 | C13 | H7 | 26.9° | 155.0° |
| C9 | C8 | C7 | H26 | 177.2° | 180.0° |
| C14 | C10 | C7 | C8 | 179.9° | 180.0° |
| C10 | C14 | H8 | H9 | 120.0° | 120.0° |
| C10 | C14 | H8 | H10 | 120.0° | 120.0° |
| C10 | C14 | H9 | H10 | 120.0° | 120.0° |
| C14 | C10 | C7 | H26 | 0.1° | 0.0° |
| C10 | C7 | C8 | H26 | 180.0° | 180.0° |
| C10 | C7 | C8 | C13 | 177.5° | 180.0° |
| C7 | C10 | C14 | H8 | 90.3° | 89.9° |
| C7 | C10 | C14 | H9 | 29.8° | 30.0° |
| C7 | C10 | C14 | H10 | 149.7° | 150.0° |
| C18 | C1 | C15 | H1 | 120.2° | 119.9° |
| C18 | C1 | C15 | H2 | 120.2° | 120.0° |
| C18 | C1 | H1 | H2 | 119.3° | 120.1° |
| C18 | C1 | C15 | H11 | 59.3° | 179.2° |
| C18 | C1 | C15 | H12 | 177.9° | 60.8° |
| C1 | C18 | C17 | H14 | 57.4° | 62.3° |
| C1 | C18 | C17 | H15 | 177.2° | 177.6° |
| C1 | C18 | H16 | H17 | 123.2° | 120.2° |
| C15 | C1 | H1 | H2 | 119.3° | 120.1° |
| C1 | C15 | H11 | H12 | 118.0° | 120.0° |
| C15 | C1 | C18 | H16 | 178.1° | 62.2° |
| C15 | C1 | C18 | H17 | 55.9° | 177.6° |
| C7 | C8 | C13 | H5 | 92.4° | 95.0° |
| C7 | C8 | C13 | H6 | 27.7° | 145.1° |
| C7 | C8 | C13 | H7 | 147.7° | 25.0° |
| C8 | C13 | H5 | H6 | 120.0° | 120.0° |
| C8 | C13 | H5 | H7 | 120.0° | 120.0° |
| C8 | C13 | H6 | H7 | 120.0° | 120.1° |
| C13 | C8 | C7 | H26 | 2.5° | 0.0° |
| H1 | C1 | C15 | H11 | 179.5° | 60.9° |
| H1 | C1 | C15 | H12 | 61.8° | 59.1° |
| H1 | C1 | C18 | H16 | 61.7° | 57.7° |
| H1 | C1 | C18 | H17 | 176.1° | 62.5° |
| H2 | C1 | C15 | H11 | 61.0° | 59.2° |
| H2 | C1 | C15 | H12 | 57.7° | 179.2° |
| H2 | C1 | C18 | H16 | 57.9° | 177.8° |
| H2 | C1 | C18 | H17 | 64.3° | 57.6° |
| H5 | C13 | H6 | H7 | 119.9° | 120.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H13 | C16 | C17 | H14 | 176.3° | 179.2° |
| H13 | C16 | C17 | H15 | 63.9° | 59.1° |
| H14 | C17 | C18 | H16 | 61.5° | 177.8° |
| H14 | C17 | C18 | H17 | 176.3° | 57.6° |
| H15 | C17 | C18 | H16 | 58.3° | 57.7° |
| H15 | C17 | C18 | H17 | 63.9° | 62.5° |
| H18 | C20 | C21 | H19 | 0.0° | 0.0° |
| H19 | C21 | C22 | H20 | 0.5° | 0.2° |
| H20 | C22 | C23 | H21 | 0.3° | 0.2° |
| H21 | C23 | C24 | H22 | 0.2° | 0.2° |
| H23 | C4 | C5 | H24 | 0.8° | 0.1° |
| H24 | C5 | N6 | H25 | 1.1° | 0.4° |
