VT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C15 | sing | 1.74Å | 1.79Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| F | C17 | sing | 1.35Å | 1.35Å | |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N | sing | 1.40Å | 1.33Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| O1 | C4 | doub | 1.22Å | 1.28Å | |
| C6 | C11 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| N | C4 | sing | 1.35Å | 1.34Å | |
| N | C5 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.48Å | 1.49Å | |
| C5 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.36Å | 1.22Å | |
| C3 | O2 | sing | 1.35Å | 1.48Å | |
| C2 | C1 | sing | 1.41Å | 1.50Å | |
| C1 | O | doub | 1.21Å | 1.22Å | |
| C1 | C | sing | 1.51Å | 1.50Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C15 | C16 | 121.5° | 119.9° |
| CL | C15 | C14 | 119.4° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C16 | C15 | C14 | 119.1° | 120.1° |
| C15 | C16 | H18 | 119.9° | 120.0° |
| C16 | C17 | F | 118.9° | 120.1° |
| C16 | C17 | C12 | 122.2° | 119.9° |
| C17 | C16 | H18 | 119.9° | 119.9° |
| C15 | C14 | C13 | 119.6° | 120.1° |
| C15 | C14 | H17 | 120.2° | 120.0° |
| F | C17 | C12 | 118.9° | 120.0° |
| C17 | C12 | C13 | 115.8° | 119.9° |
| C17 | C12 | N | 123.9° | 120.1° |
| C9 | C8 | C7 | 111.5° | 109.5° |
| C8 | C9 | C10 | 110.9° | 109.5° |
| C8 | C9 | H10 | 109.1° | 109.5° |
| C8 | C9 | H11 | 109.1° | 109.5° |
| C9 | C8 | H12 | 108.9° | 109.5° |
| C9 | C8 | H13 | 108.9° | 109.4° |
| C8 | C7 | C6 | 110.3° | 109.5° |
| C7 | C8 | H12 | 109.0° | 109.5° |
| C7 | C8 | H13 | 108.9° | 109.5° |
| C8 | C7 | H14 | 109.2° | 109.5° |
| C8 | C7 | H15 | 109.2° | 109.4° |
| C14 | C13 | C12 | 123.2° | 119.9° |
| C14 | C13 | H16 | 118.4° | 120.1° |
| C13 | C14 | H17 | 120.2° | 119.9° |
| C9 | C10 | C11 | 109.8° | 109.5° |
| C9 | C10 | H8 | 109.4° | 109.4° |
| C9 | C10 | H9 | 109.4° | 109.5° |
| C10 | C9 | H10 | 109.1° | 109.4° |
| C10 | C9 | H11 | 109.1° | 109.4° |
| C13 | C12 | N | 120.3° | 120.0° |
| C12 | C13 | H16 | 118.4° | 120.0° |
| C12 | N | C4 | 125.4° | 126.0° |
| C12 | N | C5 | 124.8° | 126.0° |
| C10 | C11 | C6 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C11 | C10 | H8 | 109.4° | 109.5° |
| C11 | C10 | H9 | 109.4° | 109.5° |
| C7 | C6 | C11 | 109.9° | 109.4° |
| C7 | C6 | C5 | 115.0° | 109.5° |
| C7 | C6 | H5 | 106.2° | 109.5° |
| C6 | C7 | H14 | 109.3° | 109.5° |
| C6 | C7 | H15 | 109.3° | 109.4° |
| O1 | C4 | N | 127.3° | 125.0° |
| O1 | C4 | C3 | 123.7° | 125.0° |
| C11 | C6 | C5 | 112.6° | 109.5° |
| C11 | C6 | H5 | 106.3° | 109.5° |
| C6 | C11 | H6 | 109.5° | 109.4° |
| C6 | C11 | H7 | 109.4° | 109.5° |
| C6 | C5 | N | 102.8° | 110.1° |
| C6 | C5 | C2 | 116.2° | 109.8° |
| C6 | C5 | H4 | 112.2° | 110.1° |
| C5 | C6 | H5 | 106.1° | 109.5° |
| C4 | N | C5 | 109.9° | 108.0° |
| N | C4 | C3 | 109.0° | 110.0° |
| N | C5 | C2 | 98.4° | 106.2° |
| N | C5 | H4 | 113.2° | 110.1° |
| C4 | C3 | C2 | 105.3° | 109.1° |
| C4 | C3 | O2 | 124.3° | 125.5° |
| C5 | C2 | C3 | 117.4° | 106.7° |
| C5 | C2 | C1 | 115.2° | 126.6° |
| C2 | C5 | H4 | 112.8° | 110.4° |
| C2 | C3 | O2 | 130.3° | 125.4° |
| C3 | C2 | C1 | 127.4° | 126.6° |
| C3 | O2 | H19 | 109.5° | 114.0° |
| C2 | C1 | O | 119.3° | 120.0° |
| C2 | C1 | C | 120.1° | 120.0° |
| O | C1 | C | 120.6° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C15 | C16 | C14 | 179.9° | 179.9° |
| CL | C15 | C16 | C17 | 179.9° | 179.7° |
| CL | C15 | C14 | C13 | 179.9° | 180.0° |
| CL | C15 | C14 | H17 | 0.1° | 0.1° |
| CL | C15 | C16 | H18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H18 | 180.0° | 179.8° |
| C15 | C16 | C17 | F | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.5° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.2° |
| C16 | C17 | F | C12 | 179.9° | 179.4° |
| C16 | C17 | C12 | C13 | 0.3° | 0.5° |
| C16 | C17 | C12 | N | 179.4° | 179.7° |
| C15 | C14 | C13 | H17 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H16 | 179.8° | 179.9° |
| C14 | C15 | C16 | H18 | 179.9° | 180.0° |
| F | C17 | C12 | C13 | 179.8° | 179.9° |
| F | C17 | C12 | N | 0.7° | 0.3° |
| F | C17 | C16 | H18 | 0.0° | 0.3° |
| C17 | C12 | C13 | C14 | 0.4° | 0.2° |
| C17 | C12 | C13 | N | 179.2° | 179.8° |
| C17 | C12 | N | C4 | 56.0° | 72.4° |
| C17 | C12 | N | C5 | 124.1° | 107.8° |
| C17 | C12 | C13 | H16 | 179.6° | 179.8° |
| C12 | C17 | C16 | H18 | 179.9° | 179.7° |
| C9 | C8 | C7 | H12 | 120.3° | 120.0° |
| C9 | C8 | C7 | H13 | 120.3° | 120.0° |
| C8 | C9 | C10 | H10 | 120.2° | 120.0° |
| C8 | C9 | C10 | H11 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 57.5° | 60.0° |
| C9 | C8 | C7 | C6 | 55.0° | 60.0° |
| C8 | C9 | C10 | H8 | 177.5° | 60.0° |
| C8 | C9 | C10 | H9 | 62.5° | 180.0° |
| C8 | C9 | H10 | H11 | 119.3° | 120.1° |
| C9 | C8 | H12 | H13 | 119.0° | 120.0° |
| C9 | C8 | C7 | H14 | 175.2° | 60.0° |
| C9 | C8 | C7 | H15 | 65.1° | 180.0° |
| C7 | C8 | C9 | C10 | 55.1° | 60.0° |
| C8 | C7 | C6 | H14 | 120.1° | 120.1° |
| C8 | C7 | C6 | H15 | 120.1° | 120.0° |
| C8 | C7 | C6 | C11 | 57.7° | 60.0° |
| C8 | C7 | C6 | C5 | 174.0° | 180.0° |
| C8 | C7 | C6 | H5 | 56.9° | 59.9° |
| C7 | C8 | C9 | H10 | 65.1° | 180.0° |
| C7 | C8 | C9 | H11 | 175.3° | 60.0° |
| C7 | C8 | H12 | H13 | 119.1° | 120.0° |
| C8 | C7 | H14 | H15 | 119.6° | 120.0° |
| C14 | C13 | C12 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | N | 179.5° | 180.0° |
| C9 | C10 | C11 | H8 | 120.1° | 120.0° |
| C9 | C10 | C11 | H9 | 120.1° | 120.0° |
| C9 | C10 | C11 | C6 | 60.3° | 60.0° |
| C9 | C10 | C11 | H6 | 59.7° | 180.0° |
| C9 | C10 | C11 | H7 | 179.7° | 60.0° |
| C9 | C10 | H8 | H9 | 119.9° | 120.0° |
| C10 | C9 | H10 | H11 | 119.4° | 120.0° |
| C10 | C9 | C8 | H12 | 65.2° | 60.0° |
| C10 | C9 | C8 | H13 | 175.4° | 180.0° |
| C13 | C12 | N | C4 | 123.1° | 107.8° |
| C13 | C12 | N | C5 | 56.8° | 71.9° |
| C12 | C13 | C14 | H17 | 179.8° | 180.0° |
| C12 | N | C4 | O1 | 0.2° | 0.1° |
| C12 | N | C5 | C6 | 60.5° | 61.0° |
| C12 | N | C4 | C5 | 179.9° | 179.8° |
| C12 | N | C4 | C3 | 179.5° | 180.0° |
| C12 | N | C5 | C2 | 179.9° | 179.8° |
| C12 | N | C5 | H4 | 60.8° | 60.6° |
| N | C12 | C13 | H16 | 0.5° | 0.0° |
| C10 | C11 | C6 | C7 | 60.7° | 60.0° |
| C10 | C11 | C6 | H6 | 120.0° | 120.0° |
| C10 | C11 | C6 | H7 | 120.0° | 120.0° |
| C10 | C11 | C6 | C5 | 169.7° | 180.0° |
| C10 | C11 | C6 | H5 | 53.9° | 60.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | H8 | H9 | 119.8° | 120.0° |
| C11 | C10 | C9 | H10 | 62.7° | 180.0° |
| C11 | C10 | C9 | H11 | 177.7° | 60.0° |
| C7 | C6 | C11 | C5 | 129.6° | 120.0° |
| C7 | C6 | C11 | H5 | 114.6° | 120.0° |
| C7 | C6 | C5 | H5 | 117.2° | 120.0° |
| C7 | C6 | C5 | N | 92.7° | 64.5° |
| C7 | C6 | C5 | C2 | 13.5° | 179.0° |
| C7 | C6 | C5 | H4 | 145.4° | 57.1° |
| C7 | C6 | C11 | H6 | 59.4° | 180.0° |
| C7 | C6 | C11 | H7 | 179.4° | 60.0° |
| C6 | C7 | C8 | H12 | 65.3° | 59.9° |
| C6 | C7 | C8 | H13 | 175.3° | 180.0° |
| C6 | C7 | H14 | H15 | 119.6° | 120.0° |
| O1 | C4 | N | C3 | 179.6° | 180.0° |
| O1 | C4 | N | C5 | 179.9° | 179.7° |
| O1 | C4 | C3 | C2 | 179.3° | 180.0° |
| O1 | C4 | C3 | O2 | 0.4° | 0.1° |
| C11 | C6 | C5 | H5 | 115.9° | 120.0° |
| C11 | C6 | C5 | N | 140.4° | 55.5° |
| C11 | C6 | C5 | C2 | 113.4° | 61.1° |
| C11 | C6 | C5 | H4 | 18.5° | 177.1° |
| C6 | C11 | H6 | H7 | 120.0° | 120.0° |
| C6 | C11 | C10 | H8 | 179.6° | 60.0° |
| C6 | C11 | C10 | H9 | 59.7° | 180.0° |
| C11 | C6 | C7 | H14 | 177.8° | 60.0° |
| C11 | C6 | C7 | H15 | 62.4° | 180.0° |
| C6 | C5 | N | C4 | 119.6° | 119.2° |
| C6 | C5 | N | C2 | 119.4° | 118.8° |
| C6 | C5 | N | H4 | 121.3° | 121.6° |
| C6 | C5 | C2 | H4 | 131.6° | 121.6° |
| C6 | C5 | C2 | C3 | 109.8° | 119.4° |
| C6 | C5 | C2 | C1 | 73.0° | 61.0° |
| C5 | C6 | C11 | H6 | 70.3° | 60.0° |
| C5 | C6 | C11 | H7 | 49.7° | 60.0° |
| C5 | C6 | C7 | H14 | 53.9° | 60.0° |
| C5 | C6 | C7 | H15 | 65.9° | 60.0° |
| C4 | N | C5 | C2 | 0.2° | 0.4° |
| N | C4 | C3 | C2 | 1.1° | 0.0° |
| N | C4 | C3 | O2 | 180.0° | 179.9° |
| C4 | N | C5 | H4 | 119.1° | 119.2° |
| C5 | N | C4 | C3 | 0.5° | 0.2° |
| N | C5 | C2 | H4 | 119.6° | 119.4° |
| N | C5 | C2 | C3 | 1.0° | 0.4° |
| N | C5 | C2 | C1 | 178.2° | 179.9° |
| N | C5 | C6 | H5 | 24.5° | 175.5° |
| C4 | C3 | C2 | C5 | 1.3° | 0.3° |
| C4 | C3 | C2 | O2 | 178.8° | 179.9° |
| C4 | C3 | C2 | C1 | 178.1° | 179.9° |
| C4 | C3 | O2 | H19 | 180.0° | 0.1° |
| C5 | C2 | C3 | C1 | 176.8° | 179.6° |
| C5 | C2 | C3 | O2 | 179.9° | 179.8° |
| C5 | C2 | C1 | O | 11.5° | 174.7° |
| C5 | C2 | C1 | C | 169.5° | 5.2° |
| C2 | C5 | C6 | H5 | 130.7° | 58.9° |
| C3 | C2 | C1 | O | 165.4° | 5.8° |
| C3 | C2 | C1 | C | 13.6° | 174.3° |
| C3 | C2 | C5 | H4 | 118.6° | 118.9° |
| C2 | C3 | O2 | H19 | 1.4° | 180.0° |
| O2 | C3 | C2 | C1 | 3.0° | 0.2° |
| C2 | C1 | O | C | 178.9° | 179.9° |
| C2 | C1 | C | H1 | 178.9° | 174.8° |
| C2 | C1 | C | H2 | 58.9° | 65.3° |
| C2 | C1 | C | H3 | 61.0° | 54.7° |
| C1 | C2 | C5 | H4 | 58.7° | 60.7° |
| O | C1 | C | H1 | 0.0° | 5.3° |
| O | C1 | C | H2 | 120.0° | 114.6° |
| O | C1 | C | H3 | 120.0° | 125.4° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.1° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C5 | C6 | H5 | 97.4° | 62.9° |
| H5 | C6 | C11 | H6 | 173.9° | 60.0° |
| H5 | C6 | C11 | H7 | 66.1° | 180.0° |
| H5 | C6 | C7 | H14 | 63.2° | 180.0° |
| H5 | C6 | C7 | H15 | 177.0° | 60.0° |
| H6 | C11 | C10 | H8 | 60.4° | 60.0° |
| H6 | C11 | C10 | H9 | 179.7° | 60.0° |
| H7 | C11 | C10 | H8 | 59.6° | 180.0° |
| H7 | C11 | C10 | H9 | 60.3° | 60.0° |
| H8 | C10 | C9 | H10 | 57.3° | 60.0° |
| H8 | C10 | C9 | H11 | 62.3° | 180.0° |
| H9 | C10 | C9 | H10 | 177.2° | 60.0° |
| H9 | C10 | C9 | H11 | 57.7° | 60.0° |
| H10 | C9 | C8 | H12 | 174.6° | 60.0° |
| H10 | C9 | C8 | H13 | 55.2° | 60.1° |
| H11 | C9 | C8 | H12 | 55.0° | 180.0° |
| H11 | C9 | C8 | H13 | 64.4° | 60.0° |
| H12 | C8 | C7 | H14 | 54.9° | 180.0° |
| H12 | C8 | C7 | H15 | 174.6° | 60.0° |
| H13 | C8 | C7 | H14 | 64.6° | 60.0° |
| H13 | C8 | C7 | H15 | 55.2° | 60.0° |
| H16 | C13 | C14 | H17 | 0.2° | 0.0° |
