VM3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| CL22 | C19 | sing | 1.74Å | 1.74Å | |
| C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.47Å | 1.52Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C7 | sing | 1.46Å | 1.50Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| N16 | C10 | doub | 1.32Å | 1.27Å | Aromatic |
| N16 | C17 | sing | 1.34Å | 1.45Å | Aromatic |
| C10 | N6 | sing | 1.37Å | 1.30Å | Aromatic |
| C17 | C11 | doub | 1.35Å | 1.56Å | Aromatic |
| C7 | C2 | doub | 1.34Å | 1.35Å | Aromatic |
| N6 | C11 | sing | 1.37Å | 1.46Å | Aromatic |
| N6 | C2 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | C1 | sing | 1.51Å | 1.53Å | |
| C3 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| C1 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C23 | C20 | 120.7° | 120.7° |
| C23 | C21 | C18 | 120.8° | 120.8° |
| C23 | C21 | H7 | 119.6° | 119.6° |
| C21 | C23 | H8 | 119.7° | 119.6° |
| C23 | C20 | C15 | 118.6° | 119.6° |
| C23 | C20 | H6 | 120.7° | 120.2° |
| C20 | C23 | H8 | 119.7° | 119.7° |
| C21 | C18 | C12 | 118.3° | 119.5° |
| C21 | C18 | H5 | 120.8° | 120.2° |
| C18 | C21 | H7 | 119.6° | 119.6° |
| C20 | C15 | C12 | 120.3° | 119.8° |
| C20 | C15 | C10 | 123.2° | 121.9° |
| C15 | C20 | H6 | 120.7° | 120.2° |
| CL22 | C19 | C13 | 120.4° | 120.0° |
| CL22 | C19 | C14 | 118.6° | 120.0° |
| C8 | C13 | C19 | 118.7° | 120.0° |
| C13 | C8 | C3 | 120.7° | 120.0° |
| C8 | C13 | H2 | 120.6° | 120.0° |
| C13 | C8 | H14 | 119.7° | 120.0° |
| C13 | C19 | C14 | 121.0° | 120.0° |
| C19 | C13 | H2 | 120.7° | 120.1° |
| C18 | C12 | C15 | 121.3° | 119.7° |
| C18 | C12 | C7 | 121.5° | 121.8° |
| C12 | C18 | H5 | 120.8° | 120.2° |
| C12 | C15 | C10 | 116.5° | 118.3° |
| C15 | C12 | C7 | 117.1° | 118.6° |
| C15 | C10 | N16 | 122.1° | 132.4° |
| C15 | C10 | N6 | 120.5° | 119.2° |
| C8 | C3 | C1 | 117.6° | 120.0° |
| C8 | C3 | C9 | 119.9° | 120.0° |
| C3 | C8 | H14 | 119.7° | 120.0° |
| C12 | C7 | C2 | 120.1° | 119.8° |
| C12 | C7 | H13 | 120.0° | 120.1° |
| C19 | C14 | C9 | 120.2° | 120.0° |
| C19 | C14 | H3 | 119.9° | 120.0° |
| C10 | N16 | C17 | 107.2° | 109.2° |
| N16 | C10 | N6 | 117.5° | 108.3° |
| N16 | C17 | C11 | 105.4° | 108.5° |
| N16 | C17 | H4 | 127.3° | 125.7° |
| C10 | N6 | C11 | 109.6° | 106.8° |
| C10 | N6 | C2 | 123.7° | 121.6° |
| C17 | C11 | N6 | 99.8° | 107.2° |
| C17 | C11 | H1 | 130.1° | 126.4° |
| C11 | C17 | H4 | 127.3° | 125.8° |
| C7 | C2 | N6 | 121.9° | 122.5° |
| C7 | C2 | C1 | 117.4° | 118.8° |
| C2 | C7 | H13 | 119.9° | 120.0° |
| C11 | N6 | C2 | 126.7° | 131.6° |
| N6 | C11 | H1 | 130.1° | 126.4° |
| N6 | C2 | C1 | 120.7° | 118.8° |
| C2 | C1 | C3 | 118.3° | 115.6° |
| C2 | C1 | C4 | 113.0° | 117.5° |
| C2 | C1 | C5 | 119.2° | 117.5° |
| C1 | C3 | C9 | 122.5° | 120.0° |
| C3 | C1 | C4 | 120.2° | 117.5° |
| C3 | C1 | C5 | 113.5° | 117.5° |
| C3 | C9 | C14 | 119.4° | 120.1° |
| C3 | C9 | H15 | 120.3° | 120.0° |
| C9 | C14 | H3 | 119.9° | 120.0° |
| C14 | C9 | H15 | 120.3° | 119.9° |
| C4 | C1 | C5 | 59.6° | 60.0° |
| C1 | C4 | C5 | 60.1° | 60.0° |
| C1 | C4 | H9 | 120.0° | 117.5° |
| C1 | C4 | H10 | 120.0° | 117.5° |
| C1 | C5 | C4 | 60.3° | 60.0° |
| C1 | C5 | H11 | 119.9° | 117.5° |
| C1 | C5 | H12 | 119.9° | 117.4° |
| C5 | C4 | H9 | 120.0° | 117.5° |
| C5 | C4 | H10 | 120.0° | 117.5° |
| C4 | C5 | H11 | 119.9° | 117.5° |
| C4 | C5 | H12 | 119.9° | 117.5° |
| H9 | C4 | H10 | 109.5° | 115.5° |
| H11 | C5 | H12 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C23 | C20 | H8 | 180.0° | 179.9° |
| C23 | C21 | C18 | H7 | 180.0° | 179.9° |
| C21 | C23 | C20 | C15 | 0.0° | 0.0° |
| C23 | C21 | C18 | C12 | 0.7° | 0.1° |
| C23 | C21 | C18 | H5 | 179.3° | 179.9° |
| C21 | C23 | C20 | H6 | 180.0° | 180.0° |
| C20 | C23 | C21 | C18 | 0.1° | 0.1° |
| C23 | C20 | C15 | H6 | 180.0° | 180.0° |
| C23 | C20 | C15 | C12 | 0.7° | 0.0° |
| C23 | C20 | C15 | C10 | 179.4° | 179.8° |
| C20 | C23 | C21 | H7 | 179.9° | 180.0° |
| C21 | C18 | C12 | H5 | 180.0° | 180.0° |
| C21 | C18 | C12 | C15 | 1.4° | 0.1° |
| C21 | C18 | C12 | C7 | 177.5° | 180.0° |
| C18 | C21 | C23 | H8 | 180.0° | 180.0° |
| C20 | C15 | C12 | C18 | 1.5° | 0.0° |
| C20 | C15 | C12 | C10 | 179.8° | 179.8° |
| C20 | C15 | C12 | C7 | 177.7° | 179.9° |
| C20 | C15 | C10 | N16 | 1.1° | 0.1° |
| C20 | C15 | C10 | N6 | 179.8° | 180.0° |
| C15 | C20 | C23 | H8 | 180.0° | 180.0° |
| CL22 | C19 | C13 | C8 | 179.8° | 180.0° |
| CL22 | C19 | C13 | C14 | 179.7° | 179.7° |
| CL22 | C19 | C14 | C9 | 179.7° | 180.0° |
| CL22 | C19 | C13 | H2 | 0.2° | 0.0° |
| CL22 | C19 | C14 | H3 | 0.3° | 0.0° |
| C8 | C13 | C19 | H2 | 180.0° | 179.9° |
| C13 | C8 | C3 | H14 | 180.0° | 179.9° |
| C8 | C13 | C19 | C14 | 0.2° | 0.3° |
| C13 | C8 | C3 | C1 | 179.3° | 180.0° |
| C13 | C8 | C3 | C9 | 0.0° | 0.3° |
| C19 | C13 | C8 | C3 | 0.2° | 0.0° |
| C13 | C19 | C14 | C9 | 0.0° | 0.3° |
| C13 | C19 | C14 | H3 | 179.9° | 179.7° |
| C19 | C13 | C8 | H14 | 179.8° | 180.0° |
| C18 | C12 | C15 | C7 | 176.2° | 179.9° |
| C18 | C12 | C15 | C10 | 178.7° | 179.8° |
| C18 | C12 | C7 | C2 | 177.2° | 180.0° |
| C12 | C18 | C21 | H7 | 179.4° | 180.0° |
| C18 | C12 | C7 | H13 | 2.8° | 0.1° |
| C12 | C15 | C10 | N16 | 179.1° | 179.9° |
| C12 | C15 | C10 | N6 | 0.1° | 0.2° |
| C15 | C12 | C7 | C2 | 1.0° | 0.1° |
| C15 | C12 | C18 | H5 | 178.6° | 180.0° |
| C12 | C15 | C20 | H6 | 179.3° | 180.0° |
| C15 | C12 | C7 | H13 | 179.0° | 180.0° |
| C10 | C15 | C12 | C7 | 2.5° | 0.3° |
| C15 | C10 | N16 | N6 | 179.2° | 179.9° |
| C15 | C10 | N16 | C17 | 179.6° | 180.0° |
| C15 | C10 | N6 | C11 | 175.2° | 179.9° |
| C15 | C10 | N6 | C2 | 4.6° | 0.0° |
| C10 | C15 | C20 | H6 | 0.6° | 0.2° |
| C8 | C3 | C1 | C2 | 26.8° | 140.3° |
| C8 | C3 | C1 | C9 | 179.3° | 179.7° |
| C8 | C3 | C9 | C14 | 0.1° | 0.3° |
| C8 | C3 | C1 | C4 | 119.0° | 5.4° |
| C8 | C3 | C1 | C5 | 173.7° | 74.0° |
| C3 | C8 | C13 | H2 | 179.8° | 180.0° |
| C8 | C3 | C9 | H15 | 179.9° | 179.8° |
| C12 | C7 | C2 | H13 | 180.0° | 179.9° |
| C12 | C7 | C2 | N6 | 3.4° | 0.2° |
| C12 | C7 | C2 | C1 | 177.5° | 179.9° |
| C7 | C12 | C18 | H5 | 2.5° | 0.1° |
| C19 | C14 | C9 | C3 | 0.1° | 0.0° |
| C19 | C14 | C9 | H3 | 180.0° | 180.0° |
| C14 | C19 | C13 | H2 | 179.8° | 179.7° |
| C19 | C14 | C9 | H15 | 179.9° | 179.9° |
| C10 | N16 | C17 | C11 | 4.4° | 0.1° |
| N16 | C10 | N6 | C11 | 5.6° | 0.1° |
| N16 | C10 | N6 | C2 | 174.6° | 179.9° |
| C10 | N16 | C17 | H4 | 175.6° | 179.8° |
| C17 | N16 | C10 | N6 | 0.5° | 0.1° |
| N16 | C17 | C11 | H4 | 180.0° | 179.9° |
| N16 | C17 | C11 | N6 | 6.9° | 0.0° |
| N16 | C17 | C11 | H1 | 173.1° | 180.0° |
| C10 | N6 | C11 | C17 | 7.4° | 0.1° |
| C10 | N6 | C2 | C7 | 6.4° | 0.3° |
| C10 | N6 | C11 | C2 | 179.8° | 180.0° |
| C10 | N6 | C2 | C1 | 174.5° | 180.0° |
| C10 | N6 | C11 | H1 | 172.6° | 179.9° |
| C17 | C11 | N6 | H1 | 180.0° | 180.0° |
| C17 | C11 | N6 | C2 | 172.8° | 179.9° |
| C7 | C2 | N6 | C11 | 173.4° | 179.7° |
| C7 | C2 | N6 | C1 | 179.1° | 179.7° |
| C7 | C2 | C1 | C3 | 104.2° | 100.8° |
| C7 | C2 | C1 | C4 | 43.8° | 113.5° |
| C7 | C2 | C1 | C5 | 110.7° | 44.9° |
| C11 | N6 | C2 | C1 | 5.7° | 0.0° |
| N6 | C11 | C17 | H4 | 173.1° | 179.9° |
| N6 | C2 | C1 | C3 | 74.9° | 78.9° |
| N6 | C2 | C1 | C4 | 137.0° | 66.8° |
| N6 | C2 | C1 | C5 | 70.1° | 135.3° |
| C2 | N6 | C11 | H1 | 7.2° | 0.1° |
| N6 | C2 | C7 | H13 | 176.7° | 179.7° |
| C2 | C1 | C3 | C4 | 145.7° | 145.7° |
| C2 | C1 | C3 | C5 | 147.0° | 145.7° |
| C2 | C1 | C3 | C9 | 153.9° | 40.1° |
| C2 | C1 | C4 | C5 | 111.4° | 107.5° |
| C2 | C1 | C4 | H9 | 139.1° | 145.0° |
| C2 | C1 | C4 | H10 | 1.9° | 0.0° |
| C2 | C1 | C5 | H11 | 8.5° | 0.0° |
| C2 | C1 | C5 | H12 | 149.4° | 145.1° |
| C1 | C2 | C7 | H13 | 2.5° | 0.0° |
| C1 | C3 | C9 | C14 | 179.4° | 180.0° |
| C3 | C1 | C4 | C5 | 101.2° | 107.5° |
| C3 | C1 | C4 | H9 | 8.3° | 0.0° |
| C3 | C1 | C4 | H10 | 149.3° | 145.0° |
| C3 | C1 | C5 | H11 | 138.1° | 145.0° |
| C3 | C1 | C5 | H12 | 2.8° | 0.0° |
| C1 | C3 | C8 | H14 | 0.7° | 0.1° |
| C1 | C3 | C9 | H15 | 0.6° | 0.1° |
| C3 | C9 | C14 | H15 | 180.0° | 179.9° |
| C9 | C3 | C1 | C4 | 60.3° | 174.3° |
| C9 | C3 | C1 | C5 | 7.0° | 105.6° |
| C3 | C9 | C14 | H3 | 179.9° | 180.0° |
| C9 | C3 | C8 | H14 | 180.0° | 179.7° |
| C1 | C4 | C5 | H9 | 109.5° | 107.5° |
| C1 | C4 | C5 | H10 | 109.5° | 107.5° |
| C1 | C4 | H9 | H10 | 144.7° | 145.7° |
| C4 | C1 | C5 | H11 | 109.5° | 107.5° |
| C4 | C1 | C5 | H12 | 109.5° | 107.5° |
| C1 | C5 | H11 | H12 | 144.6° | 145.7° |
| C5 | C4 | H9 | H10 | 144.7° | 145.7° |
| C4 | C5 | H11 | H12 | 144.6° | 145.7° |
| H1 | C11 | C17 | H4 | 6.9° | 0.0° |
| H2 | C13 | C8 | H14 | 0.2° | 0.1° |
| H3 | C14 | C9 | H15 | 0.1° | 0.1° |
| H5 | C18 | C21 | H7 | 0.6° | 0.0° |
| H6 | C20 | C23 | H8 | 0.0° | 0.1° |
| H7 | C21 | C23 | H8 | 0.1° | 0.1° |
| H9 | C4 | C5 | H11 | 140.9° | 145.0° |
| H9 | C4 | C5 | H12 | 0.1° | 0.0° |
| H10 | C4 | C5 | H11 | 0.1° | 0.0° |
| H10 | C4 | C5 | H12 | 140.9° | 145.0° |
