V8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.36Å | 1.40Å | Aromatic |
| CL1 | C5 | sing | 1.74Å | 1.75Å | |
| C7 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C5 | C10 | doub | 1.41Å | 1.44Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.54Å | |
| C8 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.44Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C9 | C1 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.78Å | |
| C1 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| S1 | O2 | doub | 1.42Å | 1.53Å | |
| S1 | N1 | sing | 1.66Å | 1.65Å | |
| C11 | N1 | sing | 1.46Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| O3 | C17 | doub | 1.21Å | 1.25Å | |
| C17 | O4 | sing | 1.34Å | 1.25Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H8L | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H8M | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H8O | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H8N | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H8P | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H8Q | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 120.5° | 121.0° |
| C6 | C7 | C8 | 120.2° | 121.0° |
| C7 | C6 | H6 | 119.8° | 119.5° |
| C6 | C7 | H7 | 119.9° | 119.5° |
| C6 | C5 | CL1 | 114.8° | 120.2° |
| C6 | C5 | C10 | 120.1° | 119.6° |
| C5 | C6 | H6 | 119.8° | 119.5° |
| CL1 | C5 | C10 | 125.1° | 120.1° |
| C7 | C8 | C9 | 121.4° | 119.7° |
| C8 | C7 | H7 | 119.9° | 119.5° |
| C7 | C8 | H8 | 119.3° | 120.2° |
| C5 | C10 | C9 | 119.1° | 119.3° |
| C5 | C10 | C4 | 122.3° | 121.4° |
| O1 | S1 | C1 | 110.1° | 106.4° |
| O1 | S1 | O2 | 108.4° | 123.1° |
| O1 | S1 | N1 | 108.6° | 106.4° |
| C8 | C9 | C10 | 118.8° | 119.4° |
| C8 | C9 | C1 | 121.6° | 121.3° |
| C9 | C8 | H8 | 119.3° | 120.1° |
| C9 | C10 | C4 | 118.6° | 119.3° |
| C10 | C9 | C1 | 119.6° | 119.4° |
| C10 | C4 | C3 | 121.3° | 119.7° |
| C10 | C4 | H4 | 119.4° | 120.1° |
| C9 | C1 | S1 | 123.5° | 120.2° |
| C9 | C1 | C2 | 119.3° | 119.6° |
| C4 | C3 | C2 | 119.8° | 121.0° |
| C4 | C3 | H3 | 120.1° | 119.6° |
| C3 | C4 | H4 | 119.4° | 120.2° |
| S1 | C1 | C2 | 117.3° | 120.1° |
| C1 | S1 | O2 | 108.7° | 106.4° |
| C1 | S1 | N1 | 109.1° | 107.2° |
| C1 | C2 | C3 | 121.5° | 121.0° |
| C1 | C2 | H21 | 119.3° | 119.5° |
| C3 | C2 | H21 | 119.3° | 119.5° |
| C2 | C3 | H3 | 120.1° | 119.5° |
| O2 | S1 | N1 | 112.0° | 106.4° |
| S1 | N1 | C11 | 115.4° | 120.0° |
| S1 | N1 | H17 | 108.0° | 120.0° |
| N1 | C11 | C12 | 108.6° | 109.5° |
| C11 | N1 | H17 | 108.0° | 120.0° |
| N1 | C11 | H11 | 109.7° | 109.5° |
| N1 | C11 | H8L | 109.7° | 109.5° |
| C11 | C12 | C13 | 110.8° | 109.5° |
| C12 | C11 | H11 | 109.7° | 109.5° |
| C12 | C11 | H8L | 109.7° | 109.4° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| C11 | C12 | H8M | 109.1° | 109.4° |
| C12 | C13 | C14 | 113.3° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.5° |
| C13 | C12 | H8M | 109.1° | 109.5° |
| C12 | C13 | H13 | 108.5° | 109.5° |
| C12 | C13 | H8O | 108.5° | 109.4° |
| C13 | C14 | C15 | 113.7° | 109.5° |
| C14 | C13 | H13 | 108.5° | 109.5° |
| C14 | C13 | H8O | 108.5° | 109.5° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| C13 | C14 | H8N | 108.4° | 109.4° |
| C14 | C15 | C16 | 111.4° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C15 | C14 | H8N | 108.4° | 109.5° |
| C14 | C15 | H15 | 109.0° | 109.5° |
| C14 | C15 | H8P | 109.0° | 109.4° |
| C15 | C16 | C17 | 110.3° | 109.5° |
| C16 | C15 | H15 | 109.0° | 109.5° |
| C16 | C15 | H8P | 109.0° | 109.5° |
| C15 | C16 | H16 | 109.2° | 109.4° |
| C15 | C16 | H8Q | 109.2° | 109.5° |
| C16 | C17 | O3 | 116.7° | 120.0° |
| C16 | C17 | O4 | 116.9° | 120.0° |
| C17 | C16 | H16 | 109.3° | 109.4° |
| C17 | C16 | H8Q | 109.3° | 109.5° |
| O3 | C17 | O4 | 126.4° | 120.0° |
| C17 | O4 | H1 | 109.5° | 117.0° |
| H11 | C11 | H8L | 109.5° | 109.5° |
| H12 | C12 | H8M | 109.5° | 109.5° |
| H13 | C13 | H8O | 109.4° | 109.5° |
| H14 | C14 | H8N | 109.5° | 109.5° |
| H15 | C15 | H8P | 109.5° | 109.4° |
| H16 | C16 | H8Q | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | CL1 | 180.0° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.0° | 0.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C6 | C5 | CL1 | C10 | 179.9° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.0° |
| C6 | C5 | C10 | C4 | 179.9° | 179.7° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| CL1 | C5 | C10 | C9 | 180.0° | 180.0° |
| CL1 | C5 | C10 | C4 | 0.0° | 0.3° |
| CL1 | C5 | C6 | H6 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | C1 | 179.8° | 179.7° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C5 | C10 | C9 | C8 | 0.0° | 0.0° |
| C5 | C10 | C9 | C4 | 180.0° | 179.7° |
| C5 | C10 | C9 | C1 | 179.9° | 179.7° |
| C5 | C10 | C4 | C3 | 179.9° | 180.0° |
| C5 | C10 | C4 | H4 | 0.2° | 0.0° |
| C10 | C5 | C6 | H6 | 180.0° | 180.0° |
| O1 | S1 | C1 | C9 | 76.1° | 177.3° |
| O1 | S1 | C1 | O2 | 118.6° | 132.9° |
| O1 | S1 | C1 | N1 | 119.0° | 113.6° |
| O1 | S1 | C1 | C2 | 103.6° | 2.3° |
| O1 | S1 | O2 | N1 | 119.7° | 122.9° |
| O1 | S1 | N1 | C11 | 35.9° | 49.7° |
| O1 | S1 | N1 | H17 | 156.8° | 130.3° |
| C8 | C9 | C10 | C1 | 179.9° | 179.7° |
| C8 | C9 | C10 | C4 | 180.0° | 179.7° |
| C8 | C9 | C1 | S1 | 0.1° | 0.0° |
| C8 | C9 | C1 | C2 | 179.8° | 179.7° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C9 | C10 | C4 | C3 | 0.1° | 0.3° |
| C10 | C9 | C1 | S1 | 180.0° | 179.8° |
| C10 | C9 | C1 | C2 | 0.3° | 0.6° |
| C9 | C10 | C4 | H4 | 179.8° | 179.8° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| C4 | C10 | C9 | C1 | 0.1° | 0.6° |
| C10 | C4 | C3 | H4 | 180.0° | 180.0° |
| C10 | C4 | C3 | C2 | 0.2° | 0.0° |
| C10 | C4 | C3 | H3 | 179.8° | 180.0° |
| C9 | C1 | S1 | C2 | 179.7° | 179.7° |
| C9 | C1 | C2 | C3 | 0.3° | 0.3° |
| C9 | C1 | S1 | O2 | 42.5° | 49.8° |
| C9 | C1 | S1 | N1 | 164.9° | 63.7° |
| C9 | C1 | C2 | H21 | 179.7° | 179.7° |
| C1 | C9 | C8 | H8 | 0.2° | 0.3° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H21 | 180.0° | 180.0° |
| S1 | C1 | C2 | C3 | 180.0° | 180.0° |
| C1 | S1 | O2 | N1 | 120.6° | 114.1° |
| C1 | S1 | N1 | C11 | 84.1° | 63.9° |
| C1 | S1 | N1 | H17 | 36.8° | 116.1° |
| S1 | C1 | C2 | H21 | 0.0° | 0.1° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C2 | C1 | S1 | O2 | 137.8° | 130.5° |
| C2 | C1 | S1 | N1 | 15.4° | 115.9° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| O2 | S1 | N1 | C11 | 155.5° | 177.4° |
| O2 | S1 | N1 | H17 | 83.6° | 2.6° |
| S1 | N1 | C11 | H17 | 120.9° | 180.0° |
| S1 | N1 | C11 | C12 | 179.6° | 163.8° |
| S1 | N1 | C11 | H11 | 60.6° | 76.2° |
| S1 | N1 | C11 | H8L | 59.7° | 43.8° |
| N1 | C11 | C12 | H11 | 119.8° | 120.0° |
| N1 | C11 | C12 | H8L | 119.9° | 120.0° |
| N1 | C11 | C12 | C13 | 86.8° | 180.0° |
| N1 | C11 | H11 | H8L | 120.4° | 120.0° |
| N1 | C11 | C12 | H12 | 153.0° | 60.0° |
| N1 | C11 | C12 | H8M | 33.3° | 60.0° |
| C11 | C12 | C13 | H12 | 120.2° | 120.0° |
| C11 | C12 | C13 | H8M | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 121.5° | 180.0° |
| C12 | C11 | N1 | H17 | 58.7° | 16.2° |
| C12 | C11 | H11 | H8L | 120.4° | 120.0° |
| C11 | C12 | H12 | H8M | 119.4° | 120.0° |
| C11 | C12 | C13 | H13 | 117.9° | 60.0° |
| C11 | C12 | C13 | H8O | 0.9° | 60.0° |
| C12 | C13 | C14 | H13 | 120.6° | 120.0° |
| C12 | C13 | C14 | H8O | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 134.1° | 180.0° |
| C13 | C12 | C11 | H11 | 33.0° | 60.0° |
| C13 | C12 | C11 | H8L | 153.3° | 60.0° |
| C13 | C12 | H12 | H8M | 119.3° | 120.0° |
| C12 | C13 | H13 | H8O | 118.2° | 120.0° |
| C12 | C13 | C14 | H14 | 105.2° | 60.0° |
| C12 | C13 | C14 | H8N | 13.5° | 60.0° |
| C13 | C14 | C15 | H14 | 120.6° | 120.0° |
| C13 | C14 | C15 | H8N | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 98.3° | 180.0° |
| C14 | C13 | C12 | H12 | 1.3° | 60.0° |
| C14 | C13 | C12 | H8M | 118.3° | 60.0° |
| C14 | C13 | H13 | H8O | 118.2° | 120.0° |
| C13 | C14 | H14 | H8N | 118.1° | 120.0° |
| C13 | C14 | C15 | H15 | 22.0° | 59.9° |
| C13 | C14 | C15 | H8P | 141.5° | 60.0° |
| C14 | C15 | C16 | H15 | 120.3° | 120.0° |
| C14 | C15 | C16 | H8P | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 155.1° | 180.0° |
| C15 | C14 | C13 | H13 | 13.5° | 60.0° |
| C15 | C14 | C13 | H8O | 105.3° | 60.0° |
| C15 | C14 | H14 | H8N | 118.1° | 120.0° |
| C14 | C15 | H15 | H8P | 119.2° | 119.9° |
| C14 | C15 | C16 | H16 | 34.9° | 60.0° |
| C14 | C15 | C16 | H8Q | 84.8° | 60.0° |
| C15 | C16 | C17 | H16 | 120.1° | 119.9° |
| C15 | C16 | C17 | H8Q | 120.1° | 120.1° |
| C15 | C16 | C17 | O3 | 88.7° | 0.0° |
| C15 | C16 | C17 | O4 | 91.3° | 180.0° |
| C16 | C15 | C14 | H14 | 141.1° | 60.0° |
| C16 | C15 | C14 | H8N | 22.4° | 60.0° |
| C16 | C15 | H15 | H8P | 119.1° | 120.0° |
| C15 | C16 | H16 | H8Q | 119.6° | 120.1° |
| C16 | C17 | O3 | O4 | 179.9° | 180.0° |
| C16 | C17 | O4 | H1 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 84.6° | 60.0° |
| C17 | C16 | C15 | H8P | 34.8° | 60.0° |
| C17 | C16 | H16 | H8Q | 119.7° | 120.0° |
| O3 | C17 | O4 | H1 | 0.0° | 0.0° |
| O3 | C17 | C16 | H16 | 31.4° | 120.0° |
| O3 | C17 | C16 | H8Q | 151.1° | 120.0° |
| O4 | C17 | C16 | H16 | 148.6° | 60.0° |
| O4 | C17 | C16 | H8Q | 28.8° | 59.9° |
| H17 | N1 | C11 | H11 | 178.6° | 103.8° |
| H17 | N1 | C11 | H8L | 61.2° | 136.2° |
| H21 | C2 | C3 | H3 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H11 | C11 | C12 | H12 | 87.2° | 180.0° |
| H11 | C11 | C12 | H8M | 153.2° | 60.0° |
| H8L | C11 | C12 | H12 | 33.0° | 60.0° |
| H8L | C11 | C12 | H8M | 86.6° | 180.0° |
| H12 | C12 | C13 | H13 | 121.9° | 180.0° |
| H12 | C12 | C13 | H8O | 119.3° | 60.0° |
| H8M | C12 | C13 | H13 | 2.3° | 60.0° |
| H8M | C12 | C13 | H8O | 121.1° | 180.0° |
| H13 | C13 | C14 | H14 | 134.2° | 180.0° |
| H13 | C13 | C14 | H8N | 107.1° | 60.0° |
| H8O | C13 | C14 | H14 | 15.3° | 60.0° |
| H8O | C13 | C14 | H8N | 134.1° | 180.0° |
| H14 | C14 | C15 | H15 | 98.6° | 180.0° |
| H14 | C14 | C15 | H8P | 20.8° | 60.0° |
| H8N | C14 | C15 | H15 | 142.6° | 60.0° |
| H8N | C14 | C15 | H8P | 97.9° | 180.0° |
| H15 | C15 | C16 | H16 | 155.2° | 180.0° |
| H15 | C15 | C16 | H8Q | 35.5° | 60.0° |
| H8P | C15 | C16 | H16 | 85.3° | 60.0° |
| H8P | C15 | C16 | H8Q | 154.9° | 180.0° |
