V80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| N19 | C21 | sing | 1.47Å | 1.47Å | |
| N19 | C18 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | C06 | sing | 1.51Å | 1.51Å | |
| C16 | C09 | sing | 1.51Å | 1.51Å | |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N01 | C06 | doub | 1.32Å | 1.34Å | Aromatic |
| N01 | C02 | sing | 1.33Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| N02 | C02 | sing | 1.38Å | 1.35Å | |
| C02 | N03 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | F11 | sing | 1.35Å | 1.34Å | |
| C12 | F12 | sing | 1.35Å | 1.34Å | |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.35Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.51Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| N02 | H21 | sing | 0.97Å | 1.00Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N19 | C21 | 109.3° | 111.0° |
| C20 | N19 | C18 | 109.7° | 111.0° |
| N19 | C20 | H15 | 109.5° | 109.5° |
| N19 | C20 | H16 | 109.5° | 109.4° |
| N19 | C20 | H17 | 109.5° | 109.5° |
| C21 | N19 | C18 | 110.1° | 111.0° |
| N19 | C21 | H18 | 109.5° | 109.5° |
| N19 | C21 | H19 | 109.5° | 109.5° |
| N19 | C21 | H20 | 109.5° | 109.4° |
| N19 | C18 | C17 | 108.5° | 109.5° |
| N19 | C18 | H13 | 109.7° | 109.5° |
| N19 | C18 | H14 | 109.7° | 109.4° |
| C18 | C17 | C14 | 110.5° | 109.5° |
| C18 | C17 | H11 | 109.2° | 109.5° |
| C18 | C17 | H12 | 109.2° | 109.5° |
| C17 | C18 | H13 | 109.7° | 109.5° |
| C17 | C18 | H14 | 109.7° | 109.5° |
| C17 | C14 | C15 | 120.8° | 120.0° |
| C17 | C14 | C13 | 119.6° | 120.0° |
| C14 | C17 | H11 | 109.2° | 109.5° |
| C14 | C17 | H12 | 109.2° | 109.5° |
| C14 | C15 | C16 | 120.6° | 120.1° |
| C15 | C14 | C13 | 119.6° | 120.1° |
| C14 | C15 | H10 | 119.7° | 120.0° |
| C15 | C16 | C09 | 120.7° | 120.0° |
| C15 | C16 | C11 | 119.4° | 120.0° |
| C16 | C15 | H10 | 119.7° | 119.9° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H9 | 120.2° | 120.0° |
| C09 | C08 | C06 | 113.5° | 109.5° |
| C08 | C09 | C16 | 110.1° | 109.5° |
| C09 | C08 | H5 | 108.4° | 109.4° |
| C09 | C08 | H6 | 108.4° | 109.5° |
| C08 | C09 | H7 | 109.3° | 109.4° |
| C08 | C09 | H8 | 109.3° | 109.5° |
| C08 | C06 | N01 | 119.5° | 120.4° |
| C08 | C06 | C05 | 121.7° | 120.4° |
| C06 | C08 | H5 | 108.5° | 109.5° |
| C06 | C08 | H6 | 108.4° | 109.5° |
| C09 | C16 | C11 | 119.9° | 120.0° |
| C16 | C09 | H7 | 109.3° | 109.4° |
| C16 | C09 | H8 | 109.3° | 109.5° |
| C16 | C11 | C12 | 120.3° | 120.0° |
| C16 | C11 | F11 | 119.5° | 120.0° |
| C13 | C12 | C11 | 120.5° | 119.9° |
| C13 | C12 | F12 | 119.5° | 120.0° |
| C12 | C13 | H9 | 120.2° | 120.1° |
| C06 | N01 | C02 | 122.0° | 120.8° |
| N01 | C06 | C05 | 118.8° | 119.2° |
| N01 | C02 | N02 | 118.9° | 119.3° |
| N01 | C02 | N03 | 120.4° | 121.5° |
| C06 | C05 | C04 | 119.0° | 118.6° |
| C06 | C05 | H1 | 120.5° | 120.7° |
| N02 | C02 | N03 | 120.7° | 119.2° |
| C02 | N02 | H21 | 109.5° | 120.0° |
| C02 | N02 | H22 | 109.5° | 120.0° |
| C02 | N03 | C04 | 120.0° | 120.7° |
| C12 | C11 | F11 | 120.2° | 120.0° |
| C11 | C12 | F12 | 120.0° | 120.1° |
| C05 | C04 | N03 | 119.7° | 119.2° |
| C05 | C04 | C07 | 120.6° | 120.4° |
| C04 | C05 | H1 | 120.5° | 120.8° |
| N03 | C04 | C07 | 119.7° | 120.4° |
| C04 | C07 | H2 | 109.5° | 109.4° |
| C04 | C07 | H3 | 109.5° | 109.5° |
| C04 | C07 | H4 | 109.5° | 109.4° |
| H2 | C07 | H3 | 109.4° | 109.5° |
| H2 | C07 | H4 | 109.4° | 109.5° |
| H3 | C07 | H4 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.5° | 109.4° |
| H7 | C09 | H8 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.4° | 109.4° |
| H15 | C20 | H17 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H20 | 109.4° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | N02 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N19 | C21 | C18 | 120.6° | 123.9° |
| C20 | N19 | C18 | C17 | 70.1° | 66.1° |
| C20 | N19 | C18 | H13 | 49.8° | 54.0° |
| C20 | N19 | C18 | H14 | 170.1° | 173.9° |
| N19 | C20 | H15 | H16 | 120.0° | 119.9° |
| N19 | C20 | H15 | H17 | 120.0° | 120.1° |
| N19 | C20 | H16 | H17 | 120.0° | 120.0° |
| C20 | N19 | C21 | H18 | 180.0° | 63.9° |
| C20 | N19 | C21 | H19 | 60.0° | 176.1° |
| C20 | N19 | C21 | H20 | 60.0° | 56.0° |
| C21 | N19 | C18 | C17 | 169.5° | 170.0° |
| C21 | N19 | C18 | H13 | 70.6° | 69.9° |
| C21 | N19 | C18 | H14 | 49.7° | 50.0° |
| C21 | N19 | C20 | H15 | 180.0° | 60.1° |
| C21 | N19 | C20 | H16 | 60.0° | 180.0° |
| C21 | N19 | C20 | H17 | 60.0° | 60.0° |
| N19 | C21 | H18 | H19 | 120.0° | 120.0° |
| N19 | C21 | H18 | H20 | 120.0° | 119.9° |
| N19 | C21 | H19 | H20 | 120.0° | 120.0° |
| N19 | C18 | C17 | H13 | 119.9° | 120.1° |
| N19 | C18 | C17 | H14 | 119.8° | 120.0° |
| N19 | C18 | C17 | C14 | 111.3° | 180.0° |
| N19 | C18 | C17 | H11 | 8.9° | 60.0° |
| N19 | C18 | C17 | H12 | 128.6° | 60.0° |
| N19 | C18 | H13 | H14 | 120.4° | 119.9° |
| C18 | N19 | C20 | H15 | 59.1° | 176.0° |
| C18 | N19 | C20 | H16 | 179.1° | 56.1° |
| C18 | N19 | C20 | H17 | 60.9° | 63.9° |
| C18 | N19 | C21 | H18 | 59.4° | 60.0° |
| C18 | N19 | C21 | H19 | 60.6° | 60.0° |
| C18 | N19 | C21 | H20 | 179.4° | 180.0° |
| C18 | C17 | C14 | H11 | 120.1° | 120.0° |
| C18 | C17 | C14 | H12 | 120.2° | 120.0° |
| C18 | C17 | C14 | C15 | 108.9° | 90.0° |
| C18 | C17 | C14 | C13 | 71.2° | 90.0° |
| C18 | C17 | H11 | H12 | 119.5° | 120.0° |
| C17 | C18 | H13 | H14 | 120.5° | 120.0° |
| C17 | C14 | C15 | C13 | 179.9° | 180.0° |
| C17 | C14 | C15 | C16 | 179.6° | 179.7° |
| C17 | C14 | C13 | C12 | 179.6° | 180.0° |
| C17 | C14 | C13 | H9 | 0.4° | 0.1° |
| C17 | C14 | C15 | H10 | 0.4° | 0.1° |
| C14 | C17 | H11 | H12 | 119.6° | 120.0° |
| C14 | C17 | C18 | H13 | 128.9° | 60.0° |
| C14 | C17 | C18 | H14 | 8.6° | 60.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C09 | 179.8° | 180.0° |
| C14 | C15 | C16 | C11 | 0.0° | 0.5° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H9 | 179.8° | 179.9° |
| C15 | C14 | C17 | H11 | 11.2° | 30.0° |
| C15 | C14 | C17 | H12 | 130.9° | 150.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.2° |
| C15 | C16 | C09 | C08 | 83.5° | 99.9° |
| C15 | C16 | C09 | C11 | 179.8° | 179.5° |
| C15 | C16 | C11 | C12 | 0.2° | 0.6° |
| C15 | C16 | C11 | F11 | 179.8° | 179.7° |
| C15 | C16 | C09 | H7 | 36.6° | 20.0° |
| C15 | C16 | C09 | H8 | 156.4° | 140.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | F12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H10 | 179.7° | 179.9° |
| C13 | C14 | C17 | H11 | 168.7° | 150.0° |
| C13 | C14 | C17 | H12 | 49.0° | 30.0° |
| C09 | C08 | C06 | H5 | 120.6° | 120.0° |
| C09 | C08 | C06 | H6 | 120.6° | 120.1° |
| C08 | C09 | C16 | H7 | 120.1° | 120.0° |
| C08 | C09 | C16 | H8 | 120.1° | 120.1° |
| C08 | C09 | C16 | C11 | 96.7° | 80.6° |
| C09 | C08 | C06 | N01 | 109.5° | 54.9° |
| C09 | C08 | C06 | C05 | 70.9° | 125.0° |
| C09 | C08 | H5 | H6 | 118.1° | 120.0° |
| C08 | C09 | H7 | H8 | 119.7° | 120.0° |
| C06 | C08 | C09 | C16 | 69.7° | NaN° |
| C08 | C06 | N01 | C05 | 179.7° | 179.9° |
| C08 | C06 | N01 | C02 | 178.1° | 180.0° |
| C08 | C06 | C05 | C04 | 179.7° | 180.0° |
| C08 | C06 | C05 | H1 | 0.3° | 0.1° |
| C06 | C08 | H5 | H6 | 118.2° | 120.0° |
| C06 | C08 | C09 | H7 | 170.2° | 60.0° |
| C06 | C08 | C09 | H8 | 50.4° | 59.9° |
| C09 | C16 | C11 | C12 | 179.5° | 180.0° |
| C09 | C16 | C11 | F11 | 0.4° | 0.2° |
| C16 | C09 | C08 | H5 | 169.6° | 60.0° |
| C16 | C09 | C08 | H6 | 50.8° | 59.9° |
| C16 | C09 | H7 | H8 | 119.7° | 120.0° |
| C09 | C16 | C15 | H10 | 0.2° | 0.1° |
| C16 | C11 | C12 | C13 | 0.2° | 0.3° |
| C16 | C11 | C12 | F11 | 179.9° | 179.7° |
| C16 | C11 | C12 | F12 | 179.8° | 179.7° |
| C11 | C16 | C09 | H7 | 143.2° | 159.5° |
| C11 | C16 | C09 | H8 | 23.4° | 39.5° |
| C11 | C16 | C15 | H10 | 179.9° | 179.6° |
| C13 | C12 | C11 | F12 | 180.0° | 180.0° |
| C13 | C12 | C11 | F11 | 179.8° | 180.0° |
| C06 | N01 | C02 | N02 | 179.0° | 179.7° |
| C06 | N01 | C02 | N03 | 1.6° | 0.0° |
| N01 | C06 | C05 | C04 | 0.1° | 0.0° |
| N01 | C06 | C05 | H1 | 179.9° | 180.0° |
| N01 | C06 | C08 | H5 | 130.0° | 65.1° |
| N01 | C06 | C08 | H6 | 11.1° | 175.0° |
| C02 | N01 | C06 | C05 | 1.6° | 0.0° |
| N01 | C02 | N02 | N03 | 179.4° | 179.7° |
| N01 | C02 | N03 | C04 | 0.2° | 0.0° |
| N01 | C02 | N02 | H21 | 0.0° | 179.7° |
| N01 | C02 | N02 | H22 | 120.0° | 0.3° |
| C06 | C05 | C04 | H1 | 180.0° | 180.0° |
| C06 | C05 | C04 | N03 | 1.8° | 0.1° |
| C06 | C05 | C04 | C07 | 179.4° | 180.0° |
| C05 | C06 | C08 | H5 | 49.7° | 115.0° |
| C05 | C06 | C08 | H6 | 168.5° | 4.9° |
| N02 | C02 | N03 | C04 | 179.2° | 179.7° |
| C02 | N02 | H21 | H22 | 120.0° | 180.0° |
| C02 | N03 | C04 | C05 | 1.8° | 0.0° |
| C02 | N03 | C04 | C07 | 179.3° | 180.0° |
| N03 | C02 | N02 | H21 | 179.5° | 0.0° |
| N03 | C02 | N02 | H22 | 59.5° | 180.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.9° |
| F11 | C11 | C12 | F12 | 0.2° | 0.0° |
| F12 | C12 | C13 | H9 | 0.0° | 0.1° |
| C05 | C04 | N03 | C07 | 178.9° | 180.0° |
| C05 | C04 | C07 | H2 | 178.9° | 90.0° |
| C05 | C04 | C07 | H3 | 61.2° | 150.0° |
| C05 | C04 | C07 | H4 | 58.9° | 29.9° |
| N03 | C04 | C05 | H1 | 178.2° | 180.0° |
| N03 | C04 | C07 | H2 | 0.0° | 90.0° |
| N03 | C04 | C07 | H3 | 120.0° | 30.0° |
| N03 | C04 | C07 | H4 | 120.0° | 150.0° |
| C07 | C04 | C05 | H1 | 0.6° | 0.0° |
| C04 | C07 | H2 | H3 | 120.0° | 120.0° |
| C04 | C07 | H2 | H4 | 120.0° | 119.9° |
| C04 | C07 | H3 | H4 | 120.0° | 120.0° |
| H2 | C07 | H3 | H4 | 120.0° | 120.0° |
| H5 | C08 | C09 | H7 | 49.6° | 180.0° |
| H5 | C08 | C09 | H8 | 70.2° | 60.1° |
| H6 | C08 | C09 | H7 | 69.2° | 60.0° |
| H6 | C08 | C09 | H8 | 170.9° | 180.0° |
| H11 | C17 | C18 | H13 | 111.0° | 179.9° |
| H11 | C17 | C18 | H14 | 128.7° | 60.0° |
| H12 | C17 | C18 | H13 | 8.7° | 60.0° |
| H12 | C17 | C18 | H14 | 111.6° | 180.0° |
| H15 | C20 | H16 | H17 | 119.9° | 120.0° |
| H18 | C21 | H19 | H20 | 120.0° | 120.0° |
