5V2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N05 | sing | 1.46Å | 1.46Å | |
| N05 | C06 | sing | 1.36Å | 1.35Å | |
| N05 | C29 | sing | 1.34Å | 1.38Å | |
| C06 | C08 | doub | 1.36Å | 1.35Å | |
| C08 | C09 | sing | 1.48Å | 1.48Å | |
| C08 | C23 | sing | 1.47Å | 1.47Å | |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.49Å | |
| C19 | F20 | sing | 1.40Å | 1.35Å | |
| C19 | F21 | sing | 1.40Å | 1.30Å | |
| C19 | F22 | sing | 1.40Å | 1.35Å | |
| C23 | S24 | sing | 1.76Å | 1.73Å | Aromatic |
| C23 | C28 | doub | 1.40Å | 1.38Å | Aromatic |
| S24 | C25 | sing | 1.76Å | 1.71Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.34Å | Aromatic |
| C25 | C31 | sing | 1.47Å | 1.48Å | |
| C26 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.41Å | |
| C29 | O30 | doub | 1.22Å | 1.27Å | |
| C31 | N32 | doub | 1.31Å | 1.22Å | |
| C31 | N34 | sing | 1.38Å | 1.37Å | |
| N34 | C36 | sing | 1.46Å | 1.44Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C36 | C50 | sing | 1.53Å | 1.52Å | |
| C38 | C41 | sing | 1.53Å | 1.50Å | |
| C41 | S44 | sing | 1.82Å | 1.75Å | |
| S44 | O45 | doub | 1.42Å | 1.43Å | |
| S44 | O46 | doub | 1.42Å | 1.43Å | |
| S44 | C47 | sing | 1.82Å | 1.76Å | |
| C47 | C50 | sing | 1.53Å | 1.53Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N05 | C06 | 120.6° | 118.9° |
| C01 | N05 | C29 | 117.2° | 118.9° |
| N05 | C01 | H011 | 109.5° | 109.5° |
| N05 | C01 | H012 | 109.5° | 109.5° |
| N05 | C01 | H013 | 109.5° | 109.5° |
| C06 | N05 | C29 | 122.2° | 122.3° |
| N05 | C06 | C08 | 122.4° | 121.4° |
| N05 | C06 | H06 | 118.8° | 119.3° |
| N05 | C29 | C28 | 119.2° | 120.3° |
| N05 | C29 | O30 | 121.7° | 119.9° |
| C06 | C08 | C09 | 120.9° | 120.1° |
| C06 | C08 | C23 | 117.0° | 119.7° |
| C08 | C06 | H06 | 118.8° | 119.3° |
| C09 | C08 | C23 | 121.9° | 120.2° |
| C08 | C09 | C10 | 120.3° | 120.2° |
| C08 | C09 | C17 | 120.3° | 120.1° |
| C08 | C23 | S24 | 127.8° | 131.5° |
| C08 | C23 | C28 | 120.9° | 118.8° |
| C10 | C09 | C17 | 119.2° | 119.7° |
| C09 | C10 | C12 | 120.5° | 119.9° |
| C09 | C10 | H10 | 119.7° | 120.0° |
| C09 | C17 | C16 | 120.5° | 119.9° |
| C09 | C17 | H17 | 119.7° | 120.1° |
| C10 | C12 | C14 | 119.8° | 120.1° |
| C12 | C10 | H10 | 119.8° | 120.1° |
| C10 | C12 | H12 | 120.1° | 120.0° |
| C12 | C14 | C16 | 120.3° | 120.3° |
| C14 | C12 | H12 | 120.1° | 119.9° |
| C12 | C14 | H14 | 119.8° | 119.9° |
| C14 | C16 | C17 | 119.7° | 120.1° |
| C14 | C16 | C19 | 121.1° | 120.0° |
| C16 | C14 | H14 | 119.8° | 119.8° |
| C17 | C16 | C19 | 119.2° | 119.9° |
| C16 | C17 | H17 | 119.8° | 120.1° |
| C16 | C19 | F20 | 111.1° | 109.5° |
| C16 | C19 | F21 | 112.6° | 109.5° |
| C16 | C19 | F22 | 112.7° | 109.5° |
| F20 | C19 | F21 | 107.6° | 109.5° |
| F20 | C19 | F22 | 106.9° | 109.4° |
| F21 | C19 | F22 | 105.6° | 109.5° |
| S24 | C23 | C28 | 111.2° | 109.7° |
| C23 | S24 | C25 | 91.8° | 91.5° |
| C23 | C28 | C26 | 110.5° | 112.7° |
| C23 | C28 | C29 | 118.2° | 117.5° |
| S24 | C25 | C26 | 111.2° | 110.5° |
| S24 | C25 | C31 | 121.3° | 124.8° |
| C26 | C25 | C31 | 127.5° | 124.7° |
| C25 | C26 | C28 | 115.2° | 115.6° |
| C25 | C26 | H26 | 122.4° | 122.2° |
| C25 | C31 | N32 | 118.1° | 120.0° |
| C25 | C31 | N34 | 113.8° | 120.0° |
| C26 | C28 | C29 | 131.3° | 129.8° |
| C28 | C26 | H26 | 122.4° | 122.2° |
| C28 | C29 | O30 | 119.0° | 119.9° |
| N32 | C31 | N34 | 127.8° | 120.0° |
| C31 | N32 | H32 | 112.0° | 120.0° |
| C31 | N34 | C36 | 126.1° | 120.0° |
| C31 | N34 | H34 | 116.9° | 120.0° |
| N34 | C36 | C38 | 107.9° | 109.3° |
| N34 | C36 | C50 | 110.0° | 109.3° |
| C36 | N34 | H34 | 116.9° | 120.0° |
| N34 | C36 | H36 | 109.7° | 109.2° |
| C38 | C36 | C50 | 111.8° | 110.6° |
| C36 | C38 | C41 | 110.1° | 110.0° |
| C38 | C36 | H36 | 108.8° | 109.3° |
| C36 | C38 | H381 | 109.3° | 109.4° |
| C36 | C38 | H382 | 109.4° | 109.4° |
| C36 | C50 | C47 | 115.8° | 110.0° |
| C50 | C36 | H36 | 108.6° | 109.1° |
| C36 | C50 | H501 | 107.8° | 109.4° |
| C36 | C50 | H502 | 107.9° | 109.4° |
| C38 | C41 | S44 | 108.7° | 109.0° |
| C41 | C38 | H381 | 109.3° | 109.4° |
| C41 | C38 | H382 | 109.3° | 109.4° |
| C38 | C41 | H411 | 109.7° | 109.6° |
| C38 | C41 | H412 | 109.6° | 109.5° |
| C41 | S44 | O45 | 109.1° | 108.7° |
| C41 | S44 | O46 | 109.1° | 108.7° |
| C41 | S44 | C47 | 101.4° | 101.3° |
| S44 | C41 | H411 | 109.6° | 109.6° |
| S44 | C41 | H412 | 109.7° | 109.5° |
| O45 | S44 | O46 | 117.7° | 119.3° |
| O45 | S44 | C47 | 109.1° | 108.7° |
| O46 | S44 | C47 | 109.1° | 108.7° |
| S44 | C47 | C50 | 109.1° | 109.0° |
| S44 | C47 | H471 | 109.6° | 109.6° |
| S44 | C47 | H472 | 109.6° | 109.5° |
| C47 | C50 | H501 | 107.9° | 109.4° |
| C47 | C50 | H502 | 107.9° | 109.4° |
| C50 | C47 | H471 | 109.6° | 109.5° |
| C50 | C47 | H472 | 109.6° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.3° |
| H501 | C50 | H502 | 109.5° | 109.3° |
| H411 | C41 | H412 | 109.5° | 109.7° |
| H471 | C47 | H472 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N05 | C06 | C29 | 177.4° | 179.7° |
| C01 | N05 | C06 | C08 | 178.8° | 179.9° |
| C01 | N05 | C29 | C28 | 179.6° | 179.8° |
| C01 | N05 | C29 | O30 | 3.1° | 0.0° |
| N05 | C01 | H011 | H012 | 120.0° | 120.0° |
| N05 | C01 | H011 | H013 | 120.0° | 120.0° |
| N05 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | N05 | C06 | H06 | 1.2° | 0.0° |
| N05 | C06 | C08 | H06 | 180.0° | 179.9° |
| N05 | C06 | C08 | C09 | 176.6° | 180.0° |
| N05 | C06 | C08 | C23 | 0.8° | 0.1° |
| C06 | N05 | C29 | C28 | 2.9° | 0.5° |
| C06 | N05 | C29 | O30 | 179.4° | 179.7° |
| C06 | N05 | C01 | H011 | 180.0° | 90.0° |
| C06 | N05 | C01 | H012 | 60.0° | 150.0° |
| C06 | N05 | C01 | H013 | 60.0° | 30.0° |
| C29 | N05 | C06 | C08 | 1.4° | 0.3° |
| N05 | C29 | C28 | C23 | 2.1° | 0.4° |
| N05 | C29 | C28 | C26 | 176.8° | 179.7° |
| N05 | C29 | C28 | O30 | 176.6° | 179.8° |
| C29 | N05 | C01 | H011 | 2.4° | 90.3° |
| C29 | N05 | C01 | H012 | 117.5° | 29.7° |
| C29 | N05 | C01 | H013 | 122.5° | 149.8° |
| C29 | N05 | C06 | H06 | 178.6° | 179.8° |
| C06 | C08 | C09 | C23 | 175.5° | 179.9° |
| C06 | C08 | C09 | C10 | 30.5° | 114.9° |
| C06 | C08 | C09 | C17 | 155.4° | 65.3° |
| C06 | C08 | C23 | S24 | 179.0° | 180.0° |
| C06 | C08 | C23 | C28 | 1.5° | 0.0° |
| C08 | C09 | C10 | C17 | 174.2° | 179.8° |
| C08 | C09 | C10 | C12 | 177.1° | 180.0° |
| C08 | C09 | C17 | C16 | 176.0° | 179.7° |
| C09 | C08 | C23 | S24 | 5.3° | 0.1° |
| C09 | C08 | C23 | C28 | 177.2° | 179.9° |
| C09 | C08 | C06 | H06 | 3.4° | 0.1° |
| C08 | C09 | C10 | H10 | 2.9° | 0.0° |
| C08 | C09 | C17 | H17 | 4.0° | 0.0° |
| C23 | C08 | C09 | C10 | 145.0° | 65.0° |
| C23 | C08 | C09 | C17 | 29.1° | 114.8° |
| C08 | C23 | S24 | C28 | 177.7° | 180.0° |
| C08 | C23 | S24 | C25 | 180.0° | 180.0° |
| C08 | C23 | C28 | C26 | 179.1° | 179.9° |
| C08 | C23 | C28 | C29 | 0.0° | 0.2° |
| C23 | C08 | C06 | H06 | 179.2° | 180.0° |
| C09 | C10 | C12 | H10 | 180.0° | 180.0° |
| C09 | C10 | C12 | C14 | 2.1° | 0.0° |
| C10 | C09 | C17 | C16 | 1.8° | 0.5° |
| C10 | C09 | C17 | H17 | 178.2° | 179.8° |
| C09 | C10 | C12 | H12 | 178.0° | 180.0° |
| C17 | C09 | C10 | C12 | 2.9° | 0.2° |
| C09 | C17 | C16 | C14 | 0.2° | 0.6° |
| C09 | C17 | C16 | H17 | 180.0° | 179.7° |
| C09 | C17 | C16 | C19 | 178.7° | 179.7° |
| C17 | C09 | C10 | H10 | 177.0° | 179.8° |
| C10 | C12 | C14 | H12 | 180.0° | 180.0° |
| C10 | C12 | C14 | C16 | 0.0° | 0.0° |
| C10 | C12 | C14 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 1.1° | 0.3° |
| C12 | C14 | C16 | C19 | 177.7° | 180.0° |
| C14 | C12 | C10 | H10 | 177.9° | 180.0° |
| C14 | C16 | C17 | C19 | 178.8° | 179.7° |
| C14 | C16 | C19 | F20 | 113.4° | 0.0° |
| C14 | C16 | C19 | F21 | 125.7° | 120.0° |
| C14 | C16 | C19 | F22 | 6.4° | 120.0° |
| C14 | C16 | C17 | H17 | 179.9° | 179.7° |
| C16 | C14 | C12 | H12 | 180.0° | 180.0° |
| C17 | C16 | C19 | F20 | 65.4° | 179.7° |
| C17 | C16 | C19 | F21 | 55.4° | 59.7° |
| C17 | C16 | C19 | F22 | 174.8° | 60.3° |
| C17 | C16 | C14 | H14 | 178.9° | 179.7° |
| C16 | C19 | F20 | F21 | 123.7° | 120.0° |
| C16 | C19 | F20 | F22 | 123.3° | 120.0° |
| C16 | C19 | F21 | F22 | 123.3° | 120.0° |
| C19 | C16 | C17 | H17 | 1.3° | 0.0° |
| C19 | C16 | C14 | H14 | 2.3° | 0.0° |
| F20 | C19 | F21 | F22 | 113.9° | 120.0° |
| C23 | S24 | C25 | C26 | 0.9° | 0.0° |
| C23 | S24 | C25 | C31 | 179.1° | 180.0° |
| S24 | C23 | C28 | C26 | 3.0° | 0.0° |
| S24 | C23 | C28 | C29 | 177.9° | 179.8° |
| C28 | C23 | S24 | C25 | 2.3° | 0.0° |
| C23 | C28 | C26 | C25 | 2.4° | 0.0° |
| C23 | C28 | C26 | C29 | 178.9° | 179.8° |
| C23 | C28 | C29 | O30 | 178.7° | 179.8° |
| C23 | C28 | C26 | H26 | 177.6° | 180.0° |
| S24 | C25 | C26 | C31 | 180.0° | 180.0° |
| S24 | C25 | C26 | C28 | 0.7° | 0.0° |
| S24 | C25 | C31 | N32 | 30.2° | 180.0° |
| S24 | C25 | C31 | N34 | 155.7° | 0.0° |
| S24 | C25 | C26 | H26 | 179.3° | 180.0° |
| C25 | C26 | C28 | H26 | 180.0° | 180.0° |
| C25 | C26 | C28 | C29 | 178.6° | 179.8° |
| C26 | C25 | C31 | N32 | 149.8° | 0.0° |
| C26 | C25 | C31 | N34 | 24.3° | 180.0° |
| C31 | C25 | C26 | C28 | 179.3° | 180.0° |
| C25 | C31 | N32 | N34 | 173.2° | 180.0° |
| C25 | C31 | N34 | C36 | 178.0° | 180.0° |
| C31 | C25 | C26 | H26 | 0.7° | 0.0° |
| C25 | C31 | N32 | H32 | 173.2° | 180.0° |
| C25 | C31 | N34 | H34 | 2.0° | 0.1° |
| C26 | C28 | C29 | O30 | 0.2° | 0.0° |
| C29 | C28 | C26 | H26 | 1.4° | 0.2° |
| N32 | C31 | N34 | C36 | 8.6° | 0.0° |
| N32 | C31 | N34 | H34 | 171.4° | 179.9° |
| C31 | N34 | C36 | H34 | 180.0° | 179.9° |
| C31 | N34 | C36 | C38 | 116.7° | 155.0° |
| C31 | N34 | C36 | C50 | 121.1° | 83.8° |
| N34 | C31 | N32 | H32 | 0.0° | 0.0° |
| C31 | N34 | C36 | H36 | 1.7° | 35.5° |
| N34 | C36 | C38 | C50 | 121.1° | 120.3° |
| N34 | C36 | C38 | H36 | 119.0° | 119.5° |
| N34 | C36 | C50 | H36 | 120.1° | 119.4° |
| N34 | C36 | C38 | C41 | 175.9° | 169.7° |
| N34 | C36 | C50 | C47 | 177.5° | 169.7° |
| N34 | C36 | C38 | H381 | 55.8° | 49.5° |
| N34 | C36 | C38 | H382 | 64.0° | 70.1° |
| N34 | C36 | C50 | H501 | 56.6° | 70.1° |
| N34 | C36 | C50 | H502 | 61.5° | 49.6° |
| C38 | C36 | C50 | H36 | 120.0° | 120.3° |
| C36 | C38 | C41 | H381 | 120.1° | 120.2° |
| C36 | C38 | C41 | H382 | 120.1° | 120.2° |
| C36 | C38 | C41 | S44 | 68.0° | 63.7° |
| C38 | C36 | C50 | C47 | 57.7° | 69.9° |
| C38 | C36 | N34 | H34 | 63.3° | 25.0° |
| C36 | C38 | H381 | H382 | 119.8° | 119.8° |
| C38 | C36 | C50 | H501 | 63.2° | 50.2° |
| C38 | C36 | C50 | H502 | 178.6° | 169.9° |
| C36 | C38 | C41 | H411 | 51.9° | 56.2° |
| C36 | C38 | C41 | H412 | 172.1° | 176.5° |
| C50 | C36 | C38 | C41 | 63.1° | 70.0° |
| C36 | C50 | C47 | S44 | 54.9° | 63.6° |
| C36 | C50 | C47 | H501 | 120.9° | 120.2° |
| C36 | C50 | C47 | H502 | 121.0° | 120.2° |
| C50 | C36 | N34 | H34 | 58.9° | 96.1° |
| C50 | C36 | C38 | H381 | 176.8° | 169.9° |
| C50 | C36 | C38 | H382 | 57.0° | 50.2° |
| C36 | C50 | H501 | H502 | 117.1° | 119.7° |
| C36 | C50 | C47 | H471 | 65.0° | 56.2° |
| C36 | C50 | C47 | H472 | 174.9° | 176.5° |
| C38 | C41 | S44 | H411 | 119.9° | 119.9° |
| C38 | C41 | S44 | H412 | 119.9° | 119.8° |
| C38 | C41 | S44 | O45 | 176.3° | 168.6° |
| C38 | C41 | S44 | O46 | 53.8° | 60.1° |
| C38 | C41 | S44 | C47 | 61.3° | 54.3° |
| C41 | C38 | C36 | H36 | 56.9° | 50.2° |
| C41 | C38 | H381 | H382 | 119.7° | 119.7° |
| C38 | C41 | H411 | H412 | 120.3° | 120.2° |
| C41 | S44 | O45 | O46 | 125.0° | 125.2° |
| C41 | S44 | O45 | C47 | 110.0° | 109.4° |
| C41 | S44 | O46 | C47 | 110.0° | 109.4° |
| C41 | S44 | C47 | C50 | 53.3° | 54.3° |
| S44 | C41 | C38 | H381 | 171.9° | 176.2° |
| S44 | C41 | C38 | H382 | 52.1° | 56.5° |
| S44 | C41 | H411 | H412 | 120.4° | 120.3° |
| C41 | S44 | C47 | H471 | 66.7° | 65.6° |
| C41 | S44 | C47 | H472 | 173.2° | 174.2° |
| O45 | S44 | O46 | C47 | 125.0° | 125.3° |
| O45 | S44 | C47 | C50 | 168.4° | 168.6° |
| O45 | S44 | C41 | H411 | 56.4° | 48.7° |
| O45 | S44 | C41 | H412 | 63.8° | 71.6° |
| O45 | S44 | C47 | H471 | 48.4° | 48.7° |
| O45 | S44 | C47 | H472 | 71.7° | 71.5° |
| O46 | S44 | C47 | C50 | 61.8° | 60.0° |
| O46 | S44 | C41 | H411 | 173.7° | 180.0° |
| O46 | S44 | C41 | H412 | 66.1° | 59.7° |
| O46 | S44 | C47 | H471 | 178.3° | 179.9° |
| O46 | S44 | C47 | H472 | 58.2° | 59.8° |
| S44 | C47 | C50 | H471 | 119.9° | 119.9° |
| S44 | C47 | C50 | H472 | 119.9° | 119.9° |
| S44 | C47 | C50 | H501 | 66.0° | 56.5° |
| S44 | C47 | C50 | H502 | 175.9° | 176.2° |
| C47 | S44 | C41 | H411 | 58.6° | 65.6° |
| C47 | S44 | C41 | H412 | 178.8° | 174.1° |
| S44 | C47 | H471 | H472 | 120.2° | 120.2° |
| C47 | C50 | C36 | H36 | 62.4° | 50.3° |
| C47 | C50 | H501 | H502 | 117.1° | 119.7° |
| C50 | C47 | H471 | H472 | 120.2° | 120.2° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H10 | C10 | C12 | H12 | 2.1° | 0.0° |
| H12 | C12 | C14 | H14 | 0.0° | 0.0° |
| H34 | N34 | C36 | H36 | 178.3° | 144.5° |
| H36 | C36 | C38 | H381 | 63.2° | 69.9° |
| H36 | C36 | C38 | H382 | 177.0° | 170.4° |
| H36 | C36 | C50 | H501 | 176.7° | 170.5° |
| H36 | C36 | C50 | H502 | 58.6° | 69.8° |
| H381 | C38 | C41 | H411 | 68.2° | 63.9° |
| H381 | C38 | C41 | H412 | 52.0° | 56.4° |
| H382 | C38 | C41 | H411 | 172.0° | 176.4° |
| H382 | C38 | C41 | H412 | 67.8° | 63.3° |
| H501 | C50 | C47 | H471 | 174.1° | 176.4° |
| H501 | C50 | C47 | H472 | 54.0° | 63.3° |
| H502 | C50 | C47 | H471 | 55.9° | 63.9° |
| H502 | C50 | C47 | H472 | 64.2° | 56.3° |
