V4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C20 | sing | 1.74Å | 1.78Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | F1 | sing | 1.40Å | 1.36Å | |
| C16 | F2 | sing | 1.40Å | 1.37Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O4 | C15 | doub | 1.21Å | 1.19Å | |
| C15 | N3 | sing | 1.35Å | 1.45Å | |
| N3 | C14 | sing | 1.46Å | 1.45Å | |
| C14 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.56Å | |
| O2 | C13 | doub | 1.21Å | 1.18Å | |
| C5 | C8 | sing | 1.47Å | 1.46Å | |
| C7 | N1 | sing | 1.47Å | 1.51Å | |
| C13 | N2 | sing | 1.34Å | 1.43Å | |
| C13 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.34Å | 1.45Å | |
| C8 | O1 | doub | 1.22Å | 1.18Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | C12 | sing | 1.34Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C12 | O3 | doub | 1.21Å | 1.18Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C20 | C21 | 120.0° | 120.0° |
| CL1 | C20 | C19 | 119.9° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C20 | C21 | C22 | 119.9° | 120.0° |
| C20 | C21 | H17 | 120.1° | 120.0° |
| C20 | C19 | C18 | 119.9° | 119.9° |
| C20 | C19 | H16 | 120.0° | 120.0° |
| C21 | C22 | C17 | 120.1° | 120.0° |
| C22 | C21 | H17 | 120.1° | 120.0° |
| C21 | C22 | H18 | 120.0° | 120.0° |
| C19 | C18 | C17 | 120.1° | 120.0° |
| C19 | C18 | H15 | 120.0° | 120.0° |
| C18 | C19 | H16 | 120.0° | 120.1° |
| C22 | C17 | C18 | 119.8° | 120.1° |
| C22 | C17 | C16 | 119.3° | 120.0° |
| C17 | C22 | H18 | 119.9° | 120.0° |
| C18 | C17 | C16 | 120.8° | 120.0° |
| C17 | C18 | H15 | 120.0° | 120.0° |
| C17 | C16 | F1 | 109.1° | 109.5° |
| C17 | C16 | F2 | 109.2° | 109.5° |
| C17 | C16 | C15 | 112.0° | 109.5° |
| F1 | C16 | F2 | 108.7° | 109.5° |
| F1 | C16 | C15 | 109.2° | 109.4° |
| F2 | C16 | C15 | 108.6° | 109.5° |
| C16 | C15 | O4 | 121.5° | 120.0° |
| C16 | C15 | N3 | 118.1° | 120.0° |
| O4 | C15 | N3 | 120.3° | 120.0° |
| C15 | N3 | C14 | 120.8° | 120.0° |
| C15 | N3 | H5 | 119.6° | 120.0° |
| N3 | C14 | C2 | 107.8° | 109.5° |
| C14 | N3 | H5 | 119.6° | 120.0° |
| N3 | C14 | H13 | 109.9° | 109.5° |
| N3 | C14 | H14 | 109.9° | 109.5° |
| C14 | C2 | C1 | 118.8° | 119.9° |
| C14 | C2 | C3 | 119.6° | 119.9° |
| C2 | C14 | H13 | 109.9° | 109.5° |
| C2 | C14 | H14 | 109.9° | 109.5° |
| C1 | C2 | C3 | 121.6° | 120.2° |
| C2 | C1 | C4 | 118.0° | 120.3° |
| C2 | C1 | H1 | 121.0° | 119.8° |
| C2 | C3 | C6 | 119.6° | 119.9° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C4 | C5 | 119.5° | 119.8° |
| C4 | C1 | H1 | 121.0° | 119.9° |
| C1 | C4 | H3 | 120.3° | 120.1° |
| C3 | C6 | C5 | 120.6° | 120.3° |
| C3 | C6 | C7 | 128.4° | 133.2° |
| C6 | C3 | H2 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.6° | 119.4° |
| C4 | C5 | C8 | 128.6° | 132.3° |
| C5 | C4 | H3 | 120.3° | 120.1° |
| C5 | C6 | C7 | 111.0° | 106.4° |
| C6 | C5 | C8 | 110.7° | 108.3° |
| C6 | C7 | N1 | 101.1° | 106.2° |
| C6 | C7 | H6 | 111.5° | 110.1° |
| C6 | C7 | H7 | 111.5° | 110.1° |
| O2 | C13 | N2 | 120.0° | 119.4° |
| O2 | C13 | C9 | 120.5° | 119.3° |
| C5 | C8 | N1 | 107.2° | 110.3° |
| C5 | C8 | O1 | 126.1° | 124.9° |
| C7 | N1 | C8 | 110.0° | 108.8° |
| C7 | N1 | C9 | 119.8° | 125.6° |
| N1 | C7 | H6 | 111.5° | 110.1° |
| N1 | C7 | H7 | 111.5° | 110.1° |
| N2 | C13 | C9 | 119.5° | 121.3° |
| C13 | N2 | C12 | 120.0° | 122.6° |
| C13 | N2 | H4 | 120.0° | 118.7° |
| C13 | C9 | N1 | 109.4° | 109.5° |
| C13 | C9 | C10 | 110.0° | 109.2° |
| C13 | C9 | H8 | 108.6° | 109.5° |
| N1 | C8 | O1 | 126.7° | 124.9° |
| C8 | N1 | C9 | 130.2° | 125.6° |
| N1 | C9 | C10 | 110.8° | 109.5° |
| N1 | C9 | H8 | 109.5° | 109.7° |
| N2 | C12 | O3 | 119.6° | 119.3° |
| N2 | C12 | C11 | 120.7° | 121.3° |
| C12 | N2 | H4 | 120.0° | 118.8° |
| C9 | C10 | C11 | 107.6° | 108.7° |
| C10 | C9 | H8 | 108.4° | 109.5° |
| C9 | C10 | H9 | 109.9° | 109.6° |
| C9 | C10 | H10 | 110.0° | 109.6° |
| O3 | C12 | C11 | 119.8° | 119.4° |
| C12 | C11 | C10 | 106.9° | 109.3° |
| C12 | C11 | H11 | 110.1° | 109.2° |
| C12 | C11 | H12 | 110.1° | 109.8° |
| C11 | C10 | H9 | 110.0° | 109.6° |
| C11 | C10 | H10 | 109.9° | 109.4° |
| C10 | C11 | H11 | 110.1° | 109.5° |
| C10 | C11 | H12 | 110.1° | 109.5° |
| H6 | C7 | H7 | 109.5° | 110.1° |
| H9 | C10 | H10 | 109.5° | 109.8° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C20 | C21 | C19 | 180.0° | 179.7° |
| CL1 | C20 | C21 | C22 | 180.0° | 180.0° |
| CL1 | C20 | C19 | C18 | 179.8° | 179.7° |
| CL1 | C20 | C19 | H16 | 0.2° | 0.2° |
| CL1 | C20 | C21 | H17 | 0.0° | 0.3° |
| C20 | C21 | C22 | H17 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | C22 | C17 | 0.2° | 0.5° |
| C21 | C20 | C19 | H16 | 179.8° | 180.0° |
| C20 | C21 | C22 | H18 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.2° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H15 | 179.6° | 179.9° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C21 | C22 | C17 | H18 | 180.0° | 179.4° |
| C21 | C22 | C17 | C18 | 0.5° | 0.5° |
| C21 | C22 | C17 | C16 | 179.7° | 179.7° |
| C19 | C18 | C17 | C22 | 0.6° | 0.3° |
| C19 | C18 | C17 | H15 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.8° | 180.0° |
| C22 | C17 | C18 | C16 | 179.2° | 179.8° |
| C22 | C17 | C16 | F1 | 7.3° | 30.2° |
| C22 | C17 | C16 | F2 | 111.3° | 150.2° |
| C22 | C17 | C16 | C15 | 128.4° | 89.8° |
| C22 | C17 | C18 | H15 | 179.4° | 179.8° |
| C17 | C22 | C21 | H17 | 179.8° | 179.8° |
| C18 | C17 | C16 | F1 | 173.5° | 150.0° |
| C18 | C17 | C16 | F2 | 67.9° | 30.0° |
| C18 | C17 | C16 | C15 | 52.5° | 90.0° |
| C17 | C18 | C19 | H16 | 179.5° | 180.0° |
| C18 | C17 | C22 | H18 | 179.5° | 180.0° |
| C17 | C16 | F1 | F2 | 119.0° | 120.1° |
| C17 | C16 | F1 | C15 | 122.7° | 120.0° |
| C17 | C16 | F2 | C15 | 122.4° | 120.0° |
| C17 | C16 | C15 | O4 | 18.8° | 25.0° |
| C17 | C16 | C15 | N3 | 162.0° | 155.0° |
| C16 | C17 | C18 | H15 | 0.2° | 0.0° |
| C16 | C17 | C22 | H18 | 0.3° | 0.2° |
| F1 | C16 | F2 | C15 | 118.7° | 119.9° |
| F1 | C16 | C15 | O4 | 102.2° | 95.1° |
| F1 | C16 | C15 | N3 | 77.0° | 85.0° |
| F2 | C16 | C15 | O4 | 139.5° | 145.0° |
| F2 | C16 | C15 | N3 | 41.3° | 34.9° |
| C16 | C15 | O4 | N3 | 179.2° | 179.9° |
| C16 | C15 | N3 | C14 | 179.9° | 180.0° |
| C16 | C15 | N3 | H5 | 0.1° | 0.1° |
| O4 | C15 | N3 | C14 | 0.7° | 0.1° |
| O4 | C15 | N3 | H5 | 179.3° | 180.0° |
| C15 | N3 | C14 | H5 | 180.0° | 179.9° |
| C15 | N3 | C14 | C2 | 120.2° | 180.0° |
| C15 | N3 | C14 | H13 | 0.4° | 60.0° |
| C15 | N3 | C14 | H14 | 120.1° | 60.0° |
| N3 | C14 | C2 | H13 | 119.7° | 120.1° |
| N3 | C14 | C2 | H14 | 119.7° | 120.0° |
| N3 | C14 | C2 | C1 | 145.7° | 90.0° |
| N3 | C14 | C2 | C3 | 33.6° | 90.0° |
| N3 | C14 | H13 | H14 | 120.7° | 120.0° |
| C14 | C2 | C1 | C3 | 179.2° | 180.0° |
| C14 | C2 | C1 | C4 | 179.8° | 180.0° |
| C14 | C2 | C3 | C6 | 179.8° | 180.0° |
| C14 | C2 | C1 | H1 | 0.2° | 0.3° |
| C14 | C2 | C3 | H2 | 0.2° | 0.0° |
| C2 | C14 | N3 | H5 | 59.8° | 0.0° |
| C2 | C14 | H13 | H14 | 120.8° | 120.0° |
| C2 | C1 | C4 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C6 | 0.5° | 0.0° |
| C2 | C1 | C4 | C5 | 0.4° | 0.3° |
| C1 | C2 | C3 | H2 | 179.5° | 180.0° |
| C2 | C1 | C4 | H3 | 179.6° | 179.7° |
| C1 | C2 | C14 | H13 | 25.9° | 150.0° |
| C1 | C2 | C14 | H14 | 94.6° | 30.0° |
| C3 | C2 | C1 | C4 | 0.6° | 0.0° |
| C2 | C3 | C6 | H2 | 180.0° | 180.0° |
| C2 | C3 | C6 | C5 | 0.3° | 0.3° |
| C2 | C3 | C6 | C7 | 179.8° | 179.9° |
| C3 | C2 | C1 | H1 | 179.4° | 179.7° |
| C3 | C2 | C14 | H13 | 153.4° | 30.0° |
| C3 | C2 | C14 | H14 | 86.1° | 150.0° |
| C1 | C4 | C5 | H3 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 0.2° | 0.5° |
| C1 | C4 | C5 | C8 | 179.9° | 180.0° |
| C3 | C6 | C5 | C4 | 0.1° | 0.5° |
| C3 | C6 | C5 | C7 | 179.9° | 179.8° |
| C3 | C6 | C5 | C8 | 179.9° | 179.9° |
| C3 | C6 | C7 | N1 | 180.0° | 180.0° |
| C3 | C6 | C7 | H6 | 61.4° | 60.8° |
| C3 | C6 | C7 | H7 | 61.4° | 60.7° |
| C4 | C5 | C6 | C8 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 179.9° | 179.6° |
| C4 | C5 | C8 | N1 | 179.9° | 179.4° |
| C4 | C5 | C8 | O1 | 0.1° | 0.0° |
| C5 | C4 | C1 | H1 | 179.6° | 180.0° |
| C5 | C6 | C7 | N1 | 0.1° | 0.2° |
| C6 | C5 | C8 | N1 | 0.1° | 0.2° |
| C6 | C5 | C8 | O1 | 179.9° | 179.6° |
| C5 | C6 | C3 | H2 | 179.7° | 179.7° |
| C6 | C5 | C4 | H3 | 179.8° | 179.5° |
| C5 | C6 | C7 | H6 | 118.7° | 119.0° |
| C5 | C6 | C7 | H7 | 118.6° | 119.4° |
| C7 | C6 | C5 | C8 | 0.0° | 0.0° |
| C6 | C7 | N1 | H6 | 118.6° | 119.1° |
| C6 | C7 | N1 | H7 | 118.7° | 119.3° |
| C6 | C7 | N1 | C8 | 0.1° | 0.3° |
| C6 | C7 | N1 | C9 | 179.7° | 180.0° |
| C7 | C6 | C3 | H2 | 0.2° | 0.1° |
| C6 | C7 | H6 | H7 | 123.9° | 121.6° |
| O2 | C13 | N2 | C9 | 178.7° | 180.0° |
| O2 | C13 | C9 | N1 | 31.5° | 31.0° |
| O2 | C13 | N2 | C12 | 174.7° | 179.5° |
| O2 | C13 | C9 | C10 | 153.5° | 150.9° |
| O2 | C13 | N2 | H4 | 5.3° | 0.7° |
| O2 | C13 | C9 | H8 | 88.1° | 89.2° |
| C5 | C8 | N1 | C7 | 0.2° | 0.3° |
| C5 | C8 | N1 | O1 | 179.8° | 179.4° |
| C5 | C8 | N1 | C9 | 179.6° | 180.0° |
| C8 | C5 | C4 | H3 | 0.2° | 0.0° |
| C7 | N1 | C9 | C13 | 59.2° | 120.4° |
| C7 | N1 | C8 | C9 | 179.5° | 179.7° |
| C7 | N1 | C8 | O1 | 179.9° | 179.7° |
| C7 | N1 | C9 | C10 | 62.3° | 119.9° |
| N1 | C7 | H6 | H7 | 123.9° | 121.6° |
| C7 | N1 | C9 | H8 | 178.2° | 0.2° |
| N2 | C13 | C9 | N1 | 149.8° | 149.0° |
| C13 | N2 | C12 | H4 | 180.0° | 179.8° |
| N2 | C13 | C9 | C10 | 27.8° | 29.1° |
| C13 | N2 | C12 | O3 | 179.7° | 179.7° |
| C13 | N2 | C12 | C11 | 0.9° | 0.3° |
| N2 | C13 | C9 | H8 | 90.6° | 90.7° |
| C13 | C9 | N1 | C8 | 120.2° | 59.3° |
| C13 | C9 | N1 | C10 | 121.5° | 119.7° |
| C13 | C9 | N1 | H8 | 119.0° | 120.2° |
| C9 | C13 | N2 | C12 | 4.0° | 0.6° |
| C13 | C9 | C10 | H8 | 118.6° | 119.8° |
| C13 | C9 | C10 | C11 | 61.8° | 55.4° |
| C9 | C13 | N2 | H4 | 176.0° | 179.2° |
| C13 | C9 | C10 | H9 | 178.4° | 175.3° |
| C13 | C9 | C10 | H10 | 57.8° | 64.1° |
| C8 | N1 | C9 | C10 | 118.3° | 60.4° |
| C8 | N1 | C7 | H6 | 118.8° | 118.9° |
| C8 | N1 | C7 | H7 | 118.5° | 119.6° |
| C8 | N1 | C9 | H8 | 1.2° | 179.4° |
| O1 | C8 | N1 | C9 | 0.6° | 0.6° |
| N1 | C9 | C10 | H8 | 120.2° | 120.3° |
| N1 | C9 | C10 | C11 | 177.0° | 175.4° |
| C9 | N1 | C7 | H6 | 61.7° | 60.8° |
| C9 | N1 | C7 | H7 | 61.0° | 60.8° |
| N1 | C9 | C10 | H9 | 57.3° | 64.8° |
| N1 | C9 | C10 | H10 | 63.3° | 55.8° |
| N2 | C12 | O3 | C11 | 179.4° | 180.0° |
| N2 | C12 | C11 | C10 | 33.0° | 28.7° |
| N2 | C12 | C11 | H11 | 152.6° | 91.1° |
| N2 | C12 | C11 | H12 | 86.7° | 148.8° |
| C9 | C10 | C11 | C12 | 63.2° | 55.3° |
| C9 | C10 | C11 | H9 | 119.7° | 119.9° |
| C9 | C10 | C11 | H10 | 119.7° | 119.7° |
| C9 | C10 | H9 | H10 | 120.9° | 120.4° |
| C9 | C10 | C11 | H11 | 177.2° | 64.3° |
| C9 | C10 | C11 | H12 | 56.4° | 175.5° |
| O3 | C12 | C11 | C10 | 146.4° | 151.4° |
| O3 | C12 | N2 | H4 | 0.3° | 0.5° |
| O3 | C12 | C11 | H11 | 26.8° | 88.8° |
| O3 | C12 | C11 | H12 | 93.9° | 31.2° |
| C12 | C11 | C10 | H11 | 119.6° | 119.6° |
| C12 | C11 | C10 | H12 | 119.6° | 120.3° |
| C11 | C12 | N2 | H4 | 179.1° | 179.5° |
| C12 | C11 | C10 | H9 | 177.1° | 175.1° |
| C12 | C11 | C10 | H10 | 56.6° | 64.4° |
| C12 | C11 | H11 | H12 | 121.1° | 120.2° |
| C11 | C10 | C9 | H8 | 56.8° | 64.4° |
| C11 | C10 | H9 | H10 | 120.9° | 120.3° |
| C10 | C11 | H11 | H12 | 121.2° | 120.1° |
| H1 | C1 | C4 | H3 | 0.4° | 0.0° |
| H5 | N3 | C14 | H13 | 179.6° | 120.0° |
| H5 | N3 | C14 | H14 | 59.9° | 120.0° |
| H8 | C9 | C10 | H9 | 62.9° | 55.5° |
| H8 | C9 | C10 | H10 | 176.5° | 176.1° |
| H9 | C10 | C11 | H11 | 57.5° | 55.5° |
| H9 | C10 | C11 | H12 | 63.3° | 64.6° |
| H10 | C10 | C11 | H11 | 63.0° | 176.0° |
| H10 | C10 | C11 | H12 | 176.2° | 55.9° |
| H15 | C18 | C19 | H16 | 0.4° | 0.0° |
| H17 | C21 | C22 | H18 | 0.2° | 0.3° |
