VS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | F07 | sing | 1.35Å | 1.33Å | |
| C01 | C08 | sing | 1.48Å | 1.46Å | |
| C08 | C09 | doub | 1.41Å | 1.36Å | Aromatic |
| C08 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C09 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | N12 | sing | 1.39Å | 1.40Å | |
| C11 | N13 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N13 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C15 | sing | 1.51Å | 1.56Å | |
| C15 | O16 | sing | 1.43Å | 1.37Å | |
| O16 | C17 | sing | 1.43Å | 1.41Å | |
| C14 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.46Å | |
| C09 | C19 | sing | 1.48Å | 1.48Å | |
| C19 | N20 | doub | 1.32Å | 1.32Å | Aromatic |
| N20 | N21 | sing | 1.28Å | 1.35Å | Aromatic |
| N21 | N22 | doub | 1.29Å | 1.34Å | Aromatic |
| C19 | N23 | sing | 1.36Å | 1.33Å | Aromatic |
| N22 | N23 | sing | 1.41Å | 1.35Å | Aromatic |
| N12 | C24 | sing | 1.47Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| N12 | C28 | sing | 1.47Å | 1.41Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C02 | H29 | sing | 1.08Å | 1.08Å | |
| C05 | H31 | sing | 1.08Å | 1.08Å | |
| C06 | H32 | sing | 1.08Å | 1.08Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C18 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C03 | H30 | sing | 1.08Å | 1.08Å | |
| N23 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 121.7° | 119.9° |
| C02 | C01 | C06 | 119.8° | 119.8° |
| C02 | C01 | C08 | 121.2° | 120.1° |
| C01 | C02 | H29 | 119.1° | 120.1° |
| C02 | C03 | C04 | 117.8° | 120.1° |
| C03 | C02 | H29 | 119.2° | 120.0° |
| C02 | C03 | H30 | 121.1° | 119.9° |
| C03 | C04 | C05 | 121.2° | 120.2° |
| C03 | C04 | F07 | 118.4° | 120.0° |
| C04 | C03 | H30 | 121.1° | 120.0° |
| C04 | C05 | C06 | 120.7° | 120.1° |
| C05 | C04 | F07 | 120.4° | 119.9° |
| C04 | C05 | H31 | 119.6° | 119.9° |
| C01 | C06 | C05 | 118.8° | 119.9° |
| C06 | C01 | C08 | 118.9° | 120.1° |
| C01 | C06 | H32 | 120.6° | 120.1° |
| C06 | C05 | H31 | 119.6° | 120.0° |
| C05 | C06 | H32 | 120.6° | 120.0° |
| C01 | C08 | C09 | 121.5° | 120.8° |
| C01 | C08 | C10 | 121.6° | 120.8° |
| C09 | C08 | C10 | 116.6° | 118.4° |
| C08 | C09 | C11 | 120.5° | 118.4° |
| C08 | C09 | C19 | 119.8° | 120.8° |
| C08 | C10 | C14 | 120.3° | 119.5° |
| C08 | C10 | C15 | 119.7° | 118.7° |
| C09 | C11 | N12 | 120.3° | 119.8° |
| C09 | C11 | N13 | 121.7° | 120.4° |
| C11 | C09 | C19 | 119.7° | 120.8° |
| N12 | C11 | N13 | 118.0° | 119.8° |
| C11 | N12 | C24 | 119.9° | 111.0° |
| C11 | N12 | C28 | 120.2° | 111.0° |
| C11 | N13 | C14 | 118.1° | 122.6° |
| C10 | C14 | N13 | 122.5° | 120.7° |
| C14 | C10 | C15 | 119.9° | 121.8° |
| C10 | C14 | C18 | 118.0° | 121.1° |
| N13 | C14 | C18 | 119.3° | 118.3° |
| C10 | C15 | O16 | 113.3° | 110.3° |
| C10 | C15 | H34 | 108.5° | 109.4° |
| C10 | C15 | H33 | 108.5° | 109.3° |
| C15 | O16 | C17 | 113.7° | 113.0° |
| O16 | C15 | H34 | 108.5° | 109.3° |
| O16 | C15 | H33 | 108.5° | 109.3° |
| O16 | C17 | C18 | 110.8° | 108.5° |
| O16 | C17 | H35 | 109.1° | 109.6° |
| O16 | C17 | H36 | 109.1° | 109.8° |
| C14 | C18 | C17 | 114.1° | 109.8° |
| C14 | C18 | H37 | 108.3° | 109.4° |
| C14 | C18 | H38 | 108.3° | 109.4° |
| C18 | C17 | H35 | 109.2° | 109.7° |
| C18 | C17 | H36 | 109.2° | 109.6° |
| C17 | C18 | H37 | 108.3° | 109.4° |
| C17 | C18 | H38 | 108.3° | 109.4° |
| C09 | C19 | N20 | 121.7° | 126.5° |
| C09 | C19 | N23 | 126.8° | 126.6° |
| C19 | N20 | N21 | 106.3° | 110.5° |
| N20 | C19 | N23 | 111.5° | 106.9° |
| N20 | N21 | N22 | 107.4° | 110.5° |
| N21 | N22 | N23 | 109.3° | 107.0° |
| C19 | N23 | N22 | 105.4° | 105.1° |
| C19 | N23 | H39 | 127.3° | 127.4° |
| N22 | N23 | H39 | 127.3° | 127.5° |
| N12 | C24 | C25 | 109.4° | 109.6° |
| C24 | N12 | C28 | 110.1° | 111.2° |
| N12 | C24 | H41 | 109.5° | 109.5° |
| N12 | C24 | H40 | 109.5° | 109.5° |
| C24 | C25 | C26 | 107.6° | 109.2° |
| C25 | C24 | H41 | 109.5° | 109.4° |
| C25 | C24 | H40 | 109.5° | 109.5° |
| C24 | C25 | H43 | 110.0° | 109.5° |
| C24 | C25 | H42 | 109.9° | 109.5° |
| C25 | C26 | C27 | 112.2° | 109.2° |
| C26 | C25 | H43 | 109.9° | 109.6° |
| C26 | C25 | H42 | 110.0° | 109.5° |
| C25 | C26 | H44 | 108.8° | 109.6° |
| C25 | C26 | H45 | 108.8° | 109.6° |
| C26 | C27 | C28 | 112.7° | 109.3° |
| C27 | C26 | H44 | 108.8° | 109.5° |
| C27 | C26 | H45 | 108.8° | 109.5° |
| C26 | C27 | H47 | 108.6° | 109.6° |
| C26 | C27 | H46 | 108.6° | 109.6° |
| N12 | C28 | C27 | 103.8° | 109.5° |
| N12 | C28 | H49 | 110.8° | 109.5° |
| N12 | C28 | H48 | 110.9° | 109.4° |
| C28 | C27 | H47 | 108.7° | 109.5° |
| C28 | C27 | H46 | 108.7° | 109.5° |
| C27 | C28 | H49 | 110.9° | 109.4° |
| C27 | C28 | H48 | 110.9° | 109.5° |
| H34 | C15 | H33 | 109.5° | 109.2° |
| H35 | C17 | H36 | 109.5° | 109.6° |
| H37 | C18 | H38 | 109.5° | 109.4° |
| H41 | C24 | H40 | 109.4° | 109.4° |
| H43 | C25 | H42 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.5° | 109.5° |
| H47 | C27 | H46 | 109.5° | 109.5° |
| H49 | C28 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H29 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C02 | C01 | C06 | C08 | 177.7° | 179.7° |
| C02 | C01 | C06 | C05 | 0.4° | 0.0° |
| C02 | C01 | C08 | C09 | 107.9° | 65.0° |
| C02 | C01 | C08 | C10 | 78.5° | 115.0° |
| C02 | C01 | C06 | H32 | 179.6° | 179.9° |
| C01 | C02 | C03 | H30 | 179.7° | 180.0° |
| C02 | C03 | C04 | H30 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.0° |
| C02 | C03 | C04 | F07 | 179.2° | 180.0° |
| C03 | C02 | C01 | C08 | 177.3° | 179.7° |
| C03 | C04 | C05 | F07 | 179.7° | 179.9° |
| C03 | C04 | C05 | C06 | 1.2° | 0.0° |
| C04 | C03 | C02 | H29 | 179.7° | 179.9° |
| C03 | C04 | C05 | H31 | 178.7° | 179.9° |
| C04 | C05 | C06 | C01 | 1.2° | 0.0° |
| C04 | C05 | C06 | H31 | 180.0° | 180.0° |
| C04 | C05 | C06 | H32 | 178.8° | 179.9° |
| C05 | C04 | C03 | H30 | 179.5° | 180.0° |
| C01 | C06 | C05 | H32 | 180.0° | 179.9° |
| C06 | C01 | C08 | C09 | 74.4° | 115.3° |
| C06 | C01 | C08 | C10 | 99.2° | 64.8° |
| C06 | C01 | C02 | H29 | 179.7° | 180.0° |
| C01 | C06 | C05 | H31 | 178.8° | 180.0° |
| C06 | C05 | C04 | F07 | 178.4° | 180.0° |
| C05 | C06 | C01 | C08 | 178.1° | 179.7° |
| F07 | C04 | C05 | H31 | 1.6° | 0.0° |
| F07 | C04 | C03 | H30 | 0.8° | 0.1° |
| C01 | C08 | C09 | C10 | 173.9° | 180.0° |
| C01 | C08 | C09 | C11 | 175.8° | 180.0° |
| C01 | C08 | C10 | C14 | 171.2° | 179.8° |
| C01 | C08 | C10 | C15 | 6.0° | 0.5° |
| C01 | C08 | C09 | C19 | 2.3° | 0.0° |
| C08 | C01 | C02 | H29 | 2.6° | 0.3° |
| C08 | C01 | C06 | H32 | 1.9° | 0.2° |
| C08 | C09 | C11 | C19 | 178.1° | 180.0° |
| C08 | C09 | C11 | N12 | 176.5° | 180.0° |
| C08 | C09 | C11 | N13 | 5.3° | 0.2° |
| C09 | C08 | C10 | C14 | 2.6° | 0.2° |
| C09 | C08 | C10 | C15 | 179.9° | 179.5° |
| C08 | C09 | C19 | N20 | 104.7° | 6.4° |
| C08 | C09 | C19 | N23 | 78.4° | 173.9° |
| C10 | C08 | C09 | C11 | 1.9° | 0.0° |
| C08 | C10 | C14 | C15 | 177.2° | 179.7° |
| C08 | C10 | C14 | N13 | 4.4° | 0.2° |
| C08 | C10 | C15 | O16 | 165.5° | 164.3° |
| C08 | C10 | C14 | C18 | 179.6° | 179.6° |
| C10 | C08 | C09 | C19 | 176.1° | 180.0° |
| C08 | C10 | C15 | H34 | 45.0° | 75.4° |
| C08 | C10 | C15 | H33 | 73.9° | 44.1° |
| C09 | C11 | N12 | N13 | 178.3° | 179.8° |
| C09 | C11 | N13 | C14 | 3.6° | 0.3° |
| C11 | C09 | C19 | N20 | 73.4° | 173.6° |
| C11 | C09 | C19 | N23 | 103.5° | 6.1° |
| C09 | C11 | N12 | C24 | 59.1° | 119.7° |
| C09 | C11 | N12 | C28 | 158.4° | 116.2° |
| N12 | C11 | N13 | C14 | 178.1° | 180.0° |
| N12 | C11 | C09 | C19 | 5.4° | 0.0° |
| C11 | N12 | C24 | C28 | 145.9° | 124.1° |
| C11 | N12 | C24 | C25 | 144.3° | 174.2° |
| C11 | N12 | C28 | C27 | 147.9° | 174.2° |
| C11 | N12 | C24 | H41 | 95.7° | 54.1° |
| C11 | N12 | C24 | H40 | 24.3° | 65.8° |
| C11 | N12 | C28 | H49 | 28.8° | 65.8° |
| C11 | N12 | C28 | H48 | 93.0° | 54.2° |
| C11 | N13 | C14 | C10 | 1.2° | 0.1° |
| C11 | N13 | C14 | C18 | 177.1° | 179.8° |
| N13 | C11 | C09 | C19 | 172.8° | 179.7° |
| N13 | C11 | N12 | C24 | 122.6° | 60.1° |
| N13 | C11 | N12 | C28 | 19.9° | 64.1° |
| C10 | C14 | N13 | C18 | 175.9° | 179.7° |
| C14 | C10 | C15 | O16 | 11.7° | 16.0° |
| C10 | C14 | C18 | C17 | 16.0° | 17.4° |
| C14 | C10 | C15 | H34 | 132.3° | 104.3° |
| C14 | C10 | C15 | H33 | 108.9° | 136.2° |
| C10 | C14 | C18 | H37 | 136.7° | 137.5° |
| C10 | C14 | C18 | H38 | 104.6° | 102.7° |
| N13 | C14 | C10 | C15 | 178.4° | 179.6° |
| N13 | C14 | C18 | C17 | 160.1° | 162.8° |
| N13 | C14 | C18 | H37 | 39.4° | 42.7° |
| N13 | C14 | C18 | H38 | 79.3° | 77.1° |
| C10 | C15 | O16 | H34 | 120.6° | 120.3° |
| C10 | C15 | O16 | H33 | 120.6° | 120.2° |
| C10 | C15 | O16 | C17 | 45.6° | 51.5° |
| C15 | C10 | C14 | C18 | 2.4° | 0.7° |
| C10 | C15 | H34 | H33 | 118.3° | 119.6° |
| C15 | O16 | C17 | C18 | 65.6° | 70.6° |
| O16 | C15 | H34 | H33 | 118.2° | 119.5° |
| C15 | O16 | C17 | H35 | 174.2° | 169.7° |
| C15 | O16 | C17 | H36 | 54.6° | 49.2° |
| O16 | C17 | C18 | C14 | 48.5° | 49.6° |
| O16 | C17 | C18 | H35 | 120.2° | 119.7° |
| O16 | C17 | C18 | H36 | 120.2° | 119.9° |
| C17 | O16 | C15 | H34 | 166.1° | 68.8° |
| C17 | O16 | C15 | H33 | 75.0° | 171.7° |
| O16 | C17 | H35 | H36 | 119.4° | 120.6° |
| O16 | C17 | C18 | H37 | 169.2° | 169.7° |
| O16 | C17 | C18 | H38 | 72.2° | 70.5° |
| C14 | C18 | C17 | H37 | 120.7° | 120.1° |
| C14 | C18 | C17 | H38 | 120.7° | 120.1° |
| C14 | C18 | C17 | H35 | 168.7° | 169.3° |
| C14 | C18 | C17 | H36 | 71.7° | 70.3° |
| C14 | C18 | H37 | H38 | 117.9° | 119.8° |
| C18 | C17 | H35 | H36 | 119.4° | 120.4° |
| C17 | C18 | H37 | H38 | 117.9° | 119.8° |
| C09 | C19 | N20 | N23 | 177.3° | 179.7° |
| C09 | C19 | N20 | N21 | 179.2° | 179.8° |
| C09 | C19 | N23 | N22 | 178.1° | 179.7° |
| C09 | C19 | N23 | H39 | 2.0° | 0.3° |
| C19 | N20 | N21 | N22 | 2.1° | 0.1° |
| N20 | C19 | N23 | N22 | 0.9° | 0.0° |
| N20 | C19 | N23 | H39 | 179.1° | 180.0° |
| N21 | N20 | C19 | N23 | 1.9° | 0.0° |
| N20 | N21 | N22 | N23 | 1.6° | 0.1° |
| N21 | N22 | N23 | C19 | 0.5° | 0.0° |
| N21 | N22 | N23 | H39 | 179.5° | 180.0° |
| C19 | N23 | N22 | H39 | 180.0° | 180.0° |
| N12 | C24 | C25 | H41 | 120.0° | 120.0° |
| N12 | C24 | C25 | H40 | 120.0° | 120.1° |
| N12 | C24 | C25 | C26 | 57.3° | 59.1° |
| C24 | N12 | C28 | C27 | 66.4° | 61.7° |
| N12 | C24 | H41 | H40 | 120.0° | 119.9° |
| N12 | C24 | C25 | H43 | 177.0° | 179.2° |
| N12 | C24 | C25 | H42 | 62.4° | 60.7° |
| C24 | N12 | C28 | H49 | 174.5° | 58.3° |
| C24 | N12 | C28 | H48 | 52.7° | 178.3° |
| C24 | C25 | C26 | H43 | 119.7° | 120.0° |
| C24 | C25 | C26 | H42 | 119.7° | 119.9° |
| C24 | C25 | C26 | C27 | 51.6° | 57.6° |
| C25 | C24 | N12 | C28 | 69.8° | 61.7° |
| C25 | C24 | H41 | H40 | 120.0° | 119.9° |
| C24 | C25 | H43 | H42 | 120.8° | 120.1° |
| C24 | C25 | C26 | H44 | 68.8° | 62.3° |
| C24 | C25 | C26 | H45 | 172.0° | 177.6° |
| C25 | C26 | C27 | H44 | 120.4° | 120.0° |
| C25 | C26 | C27 | H45 | 120.4° | 120.0° |
| C25 | C26 | C27 | C28 | 54.5° | 57.6° |
| C26 | C25 | C24 | H41 | 62.7° | 179.2° |
| C26 | C25 | C24 | H40 | 177.3° | 60.9° |
| C26 | C25 | H43 | H42 | 120.9° | 120.1° |
| C25 | C26 | H44 | H45 | 118.8° | 120.2° |
| C25 | C26 | C27 | H47 | 174.9° | 177.6° |
| C25 | C26 | C27 | H46 | 66.0° | 62.3° |
| C26 | C27 | C28 | N12 | 59.9° | 59.2° |
| C26 | C27 | C28 | H47 | 120.5° | 120.0° |
| C26 | C27 | C28 | H46 | 120.5° | 120.0° |
| C27 | C26 | C25 | H43 | 171.3° | 177.6° |
| C27 | C26 | C25 | H42 | 68.1° | 62.2° |
| C27 | C26 | H44 | H45 | 118.7° | 120.1° |
| C26 | C27 | H47 | H46 | 118.5° | 120.2° |
| C26 | C27 | C28 | H49 | 179.0° | 60.8° |
| C26 | C27 | C28 | H48 | 59.2° | 179.2° |
| N12 | C28 | C27 | H49 | 119.1° | 120.0° |
| N12 | C28 | C27 | H48 | 119.1° | 120.0° |
| C28 | N12 | C24 | H41 | 50.2° | 178.2° |
| C28 | N12 | C24 | H40 | 170.2° | 58.3° |
| N12 | C28 | C27 | H47 | 179.6° | 179.2° |
| N12 | C28 | C27 | H46 | 60.5° | 60.8° |
| N12 | C28 | H49 | H48 | 122.6° | 120.0° |
| C28 | C27 | C26 | H44 | 65.9° | 62.3° |
| C28 | C27 | C26 | H45 | 174.9° | 177.6° |
| C28 | C27 | H47 | H46 | 118.5° | 120.0° |
| C27 | C28 | H49 | H48 | 122.6° | 120.0° |
| H29 | C02 | C03 | H30 | 0.3° | 0.0° |
| H31 | C05 | C06 | H32 | 1.2° | 0.1° |
| H35 | C17 | C18 | H37 | 70.6° | 70.6° |
| H35 | C17 | C18 | H38 | 48.0° | 49.2° |
| H36 | C17 | C18 | H37 | 49.0° | 49.8° |
| H36 | C17 | C18 | H38 | 167.6° | 169.6° |
| H41 | C24 | C25 | H43 | 57.0° | 60.8° |
| H41 | C24 | C25 | H42 | 177.6° | 59.3° |
| H40 | C24 | C25 | H43 | 63.0° | 59.1° |
| H40 | C24 | C25 | H42 | 57.6° | 179.2° |
| H43 | C25 | C26 | H44 | 50.9° | 57.7° |
| H43 | C25 | C26 | H45 | 68.3° | 62.5° |
| H42 | C25 | C26 | H44 | 171.5° | 177.8° |
| H42 | C25 | C26 | H45 | 52.3° | 57.7° |
| H44 | C26 | C27 | H47 | 54.6° | 57.6° |
| H44 | C26 | C27 | H46 | 173.6° | 177.8° |
| H45 | C26 | C27 | H47 | 64.6° | 62.4° |
| H45 | C26 | C27 | H46 | 54.4° | 57.7° |
| H47 | C27 | C28 | H49 | 60.5° | 59.1° |
| H47 | C27 | C28 | H48 | 61.3° | 60.8° |
| H46 | C27 | C28 | H49 | 58.5° | 179.2° |
| H46 | C27 | C28 | H48 | 179.6° | 59.2° |
