BYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.43Å | 1.29Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| N17 | C17 | trip | 1.14Å | 1.16Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| N21 | H8 | sing | 1.01Å | 1.00Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| C05 | H22 | sing | 1.08Å | 1.08Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 121.3° | 120.8° |
| C07 | C04 | C05 | 119.0° | 120.7° |
| C04 | C07 | H23 | 109.5° | 109.5° |
| C04 | C07 | H24 | 109.5° | 109.5° |
| C04 | C07 | H25 | 109.5° | 109.5° |
| C03 | C04 | C05 | 119.7° | 118.5° |
| C04 | C03 | C02 | 119.1° | 119.1° |
| C04 | C03 | H21 | 120.4° | 120.4° |
| C04 | C05 | C06 | 119.6° | 119.3° |
| C04 | C05 | H22 | 120.2° | 120.3° |
| C03 | C02 | N02 | 121.4° | 119.7° |
| C03 | C02 | N01 | 119.9° | 120.5° |
| C02 | C03 | H21 | 120.5° | 120.5° |
| C05 | C06 | N01 | 119.7° | 120.9° |
| C05 | C06 | C08 | 120.1° | 119.6° |
| C06 | C05 | H22 | 120.2° | 120.4° |
| C11 | C09 | C08 | 114.0° | 109.5° |
| C09 | C11 | C12 | 120.6° | 120.0° |
| C09 | C11 | C16 | 120.8° | 119.9° |
| C11 | C09 | H15 | 108.3° | 109.5° |
| C11 | C09 | H16 | 108.3° | 109.5° |
| C09 | C08 | C06 | 105.5° | 109.5° |
| C08 | C09 | H15 | 108.3° | 109.4° |
| C08 | C09 | H16 | 108.3° | 109.4° |
| C09 | C08 | H17 | 110.4° | 109.4° |
| C09 | C08 | H18 | 110.5° | 109.4° |
| N02 | C02 | N01 | 118.7° | 119.8° |
| C02 | N02 | H19 | 109.5° | 120.0° |
| C02 | N02 | H20 | 109.4° | 120.0° |
| C02 | N01 | C06 | 121.9° | 121.7° |
| N01 | C06 | C08 | 120.1° | 119.6° |
| C06 | C08 | H17 | 110.5° | 109.5° |
| C06 | C08 | H18 | 110.5° | 109.5° |
| C12 | C11 | C16 | 118.6° | 120.1° |
| C11 | C12 | C13 | 120.9° | 119.9° |
| C11 | C12 | H13 | 119.5° | 120.1° |
| C11 | C16 | C15 | 120.7° | 120.3° |
| C11 | C16 | H14 | 119.7° | 119.9° |
| C12 | C13 | C17 | 121.4° | 120.1° |
| C12 | C13 | C14 | 120.0° | 119.7° |
| C13 | C12 | H13 | 119.5° | 120.1° |
| C16 | C15 | C14 | 120.4° | 120.1° |
| C16 | C15 | C18 | 120.1° | 119.9° |
| C15 | C16 | H14 | 119.6° | 119.8° |
| C17 | C13 | C14 | 118.6° | 120.2° |
| C13 | C17 | N17 | 176.7° | 179.9° |
| C13 | C14 | C15 | 119.4° | 119.9° |
| C13 | C14 | H1 | 120.3° | 120.1° |
| C14 | C15 | C18 | 119.6° | 120.0° |
| C15 | C14 | H1 | 120.3° | 120.0° |
| C15 | C18 | C19 | 109.3° | 109.4° |
| C15 | C18 | H2 | 109.5° | 109.5° |
| C15 | C18 | H3 | 109.5° | 109.4° |
| C18 | C19 | C20 | 111.6° | 109.5° |
| C19 | C18 | H2 | 109.5° | 109.5° |
| C19 | C18 | H3 | 109.5° | 109.5° |
| C18 | C19 | H4 | 108.9° | 109.4° |
| C18 | C19 | H5 | 109.0° | 109.4° |
| C19 | C20 | N21 | 109.4° | 109.5° |
| C20 | C19 | H4 | 108.9° | 109.5° |
| C20 | C19 | H5 | 108.9° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.4° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C20 | N21 | C22 | 109.8° | 111.0° |
| N21 | C20 | H6 | 109.5° | 109.5° |
| N21 | C20 | H7 | 109.5° | 109.5° |
| C20 | N21 | H8 | 109.4° | 111.0° |
| C22 | N21 | H8 | 109.4° | 110.9° |
| N21 | C22 | H10 | 109.5° | 109.5° |
| N21 | C22 | H11 | 109.5° | 109.5° |
| N21 | C22 | H12 | 109.5° | 109.4° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C19 | H5 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H12 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H19 | N02 | H20 | 109.5° | 120.0° |
| H23 | C07 | H24 | 109.4° | 109.5° |
| H23 | C07 | H25 | 109.4° | 109.4° |
| H24 | C07 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.6° | 179.7° |
| C07 | C04 | C03 | C02 | 179.4° | 180.0° |
| C07 | C04 | C05 | C06 | 179.8° | 179.7° |
| C07 | C04 | C03 | H21 | 0.6° | 0.1° |
| C07 | C04 | C05 | H22 | 0.2° | 0.3° |
| C04 | C07 | H23 | H24 | 120.0° | 120.0° |
| C04 | C07 | H23 | H25 | 120.0° | 120.0° |
| C04 | C07 | H24 | H25 | 120.0° | 120.0° |
| C04 | C03 | C02 | H21 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.5° |
| C04 | C03 | C02 | N02 | 179.8° | 180.0° |
| C04 | C03 | C02 | N01 | 0.3° | 0.0° |
| C03 | C04 | C05 | H22 | 179.8° | 180.0° |
| C03 | C04 | C07 | H23 | 89.8° | 90.0° |
| C03 | C04 | C07 | H24 | 150.2° | 150.0° |
| C03 | C04 | C07 | H25 | 30.2° | 30.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.3° |
| C04 | C05 | C06 | H22 | 180.0° | 179.5° |
| C04 | C05 | C06 | N01 | 0.5° | 0.5° |
| C04 | C05 | C06 | C08 | 178.5° | 179.7° |
| C05 | C04 | C03 | H21 | 179.8° | 179.8° |
| C05 | C04 | C07 | H23 | 89.8° | 89.7° |
| C05 | C04 | C07 | H24 | 30.2° | 30.3° |
| C05 | C04 | C07 | H25 | 150.2° | 150.3° |
| C03 | C02 | N02 | N01 | 179.9° | 180.0° |
| C03 | C02 | N01 | C06 | 0.0° | 0.0° |
| C03 | C02 | N02 | H19 | 179.9° | 180.0° |
| C03 | C02 | N02 | H20 | 60.1° | 0.1° |
| C05 | C06 | C08 | C09 | 96.7° | 124.7° |
| C05 | C06 | N01 | C02 | 0.4° | 0.2° |
| C05 | C06 | N01 | C08 | 178.0° | 179.8° |
| C05 | C06 | C08 | H17 | 22.7° | 4.8° |
| C05 | C06 | C08 | H18 | 144.0° | 115.3° |
| C11 | C09 | C08 | H15 | 120.6° | 120.0° |
| C11 | C09 | C08 | H16 | 120.7° | 120.0° |
| C11 | C09 | C08 | C06 | 177.0° | 180.0° |
| C09 | C11 | C12 | C16 | 179.2° | 180.0° |
| C09 | C11 | C12 | C13 | 179.5° | 180.0° |
| C09 | C11 | C16 | C15 | 179.7° | 179.7° |
| C09 | C11 | C12 | H13 | 0.5° | 0.0° |
| C09 | C11 | C16 | H14 | 0.3° | 0.0° |
| C11 | C09 | H15 | H16 | 118.0° | 120.1° |
| C11 | C09 | C08 | H17 | 63.6° | 60.0° |
| C11 | C09 | C08 | H18 | 57.7° | 60.0° |
| C09 | C08 | C06 | N01 | 81.4° | 55.1° |
| C09 | C08 | C06 | H17 | 119.3° | 119.9° |
| C09 | C08 | C06 | H18 | 119.4° | 120.0° |
| C08 | C09 | C11 | C12 | 144.5° | 90.0° |
| C08 | C09 | C11 | C16 | 36.3° | 90.0° |
| C08 | C09 | H15 | H16 | 118.0° | 119.9° |
| C09 | C08 | H17 | H18 | 121.9° | 119.9° |
| N02 | C02 | N01 | C06 | 180.0° | 179.9° |
| C02 | N02 | H19 | H20 | 120.0° | 179.9° |
| N02 | C02 | C03 | H21 | 0.2° | 0.1° |
| C02 | N01 | C06 | C08 | 178.4° | 180.0° |
| N01 | C02 | N02 | H19 | 0.0° | 0.0° |
| N01 | C02 | N02 | H20 | 120.0° | 179.9° |
| N01 | C02 | C03 | H21 | 179.7° | 179.9° |
| N01 | C06 | C08 | H17 | 159.3° | 175.0° |
| N01 | C06 | C08 | H18 | 38.0° | 64.9° |
| N01 | C06 | C05 | H22 | 179.5° | 180.0° |
| C06 | C08 | C09 | H15 | 56.4° | 60.0° |
| C06 | C08 | C09 | H16 | 62.3° | 60.0° |
| C06 | C08 | H17 | H18 | 121.9° | 120.1° |
| C08 | C06 | C05 | H22 | 1.5° | 0.2° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.3° |
| C11 | C12 | C13 | C17 | 178.8° | 180.0° |
| C11 | C12 | C13 | C14 | 1.7° | 0.3° |
| C12 | C11 | C16 | H14 | 179.5° | 180.0° |
| C12 | C11 | C09 | H15 | 23.9° | 150.0° |
| C12 | C11 | C09 | H16 | 94.8° | 30.0° |
| C16 | C11 | C12 | C13 | 1.3° | 0.0° |
| C11 | C16 | C15 | H14 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.3° |
| C11 | C16 | C15 | C18 | 179.5° | 179.7° |
| C16 | C11 | C12 | H13 | 178.7° | 180.0° |
| C16 | C11 | C09 | H15 | 157.0° | 30.0° |
| C16 | C11 | C09 | H16 | 84.4° | 150.1° |
| C12 | C13 | C17 | C14 | 177.2° | 179.7° |
| C12 | C13 | C17 | N17 | 51.1° | 138.3° |
| C12 | C13 | C14 | C15 | 1.2° | 0.3° |
| C12 | C13 | C14 | H1 | 178.8° | 179.7° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | C18 | 179.6° | 180.0° |
| C16 | C15 | C18 | C19 | 166.7° | 90.0° |
| C16 | C15 | C14 | H1 | 179.6° | 180.0° |
| C16 | C15 | C18 | H2 | 46.8° | 30.0° |
| C16 | C15 | C18 | H3 | 73.3° | 150.0° |
| C17 | C13 | C14 | C15 | 178.4° | 180.0° |
| C17 | C13 | C14 | H1 | 1.6° | 0.0° |
| C17 | C13 | C12 | H13 | 1.2° | 0.0° |
| C14 | C13 | C17 | N17 | 126.0° | 41.4° |
| C13 | C14 | C15 | H1 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 179.2° | 179.9° |
| C14 | C13 | C12 | H13 | 178.3° | 179.7° |
| C14 | C15 | C18 | C19 | 12.9° | 90.0° |
| C14 | C15 | C18 | H2 | 132.9° | 150.0° |
| C14 | C15 | C18 | H3 | 107.1° | 30.0° |
| C14 | C15 | C16 | H14 | 179.9° | 180.0° |
| C15 | C18 | C19 | H2 | 120.0° | 120.0° |
| C15 | C18 | C19 | H3 | 120.0° | 120.0° |
| C15 | C18 | C19 | C20 | 156.5° | 180.0° |
| C18 | C15 | C14 | H1 | 0.8° | 0.0° |
| C15 | C18 | H2 | H3 | 120.1° | 120.0° |
| C15 | C18 | C19 | H4 | 83.2° | 60.0° |
| C15 | C18 | C19 | H5 | 36.1° | 60.0° |
| C18 | C15 | C16 | H14 | 0.5° | 0.0° |
| C18 | C19 | C20 | H4 | 120.3° | 119.9° |
| C18 | C19 | C20 | H5 | 120.3° | 120.0° |
| C18 | C19 | C20 | N21 | 71.3° | 180.0° |
| C19 | C18 | H2 | H3 | 120.0° | 120.0° |
| C18 | C19 | H4 | H5 | 119.1° | 119.9° |
| C18 | C19 | C20 | H6 | 48.7° | 60.0° |
| C18 | C19 | C20 | H7 | 168.7° | 59.9° |
| C19 | C20 | N21 | H6 | 120.0° | 119.9° |
| C19 | C20 | N21 | H7 | 120.0° | 120.0° |
| C19 | C20 | N21 | C22 | 176.1° | 180.0° |
| C20 | C19 | C18 | H2 | 36.5° | 60.1° |
| C20 | C19 | C18 | H3 | 83.5° | 60.0° |
| C20 | C19 | H4 | H5 | 119.0° | 120.1° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C19 | C20 | N21 | H8 | 63.9° | 56.1° |
| C20 | N21 | C22 | H8 | 120.1° | 123.9° |
| N21 | C20 | C19 | H4 | 168.4° | 60.1° |
| N21 | C20 | C19 | H5 | 49.0° | 60.0° |
| N21 | C20 | H6 | H7 | 120.0° | 120.1° |
| C20 | N21 | C22 | H10 | 180.0° | 60.0° |
| C20 | N21 | C22 | H11 | 60.0° | 60.0° |
| C20 | N21 | C22 | H12 | 60.0° | 180.0° |
| C22 | N21 | C20 | H6 | 56.1° | 60.0° |
| C22 | N21 | C20 | H7 | 63.9° | 60.0° |
| N21 | C22 | H10 | H11 | 120.0° | 120.0° |
| N21 | C22 | H10 | H12 | 120.0° | 120.0° |
| N21 | C22 | H11 | H12 | 120.0° | 120.0° |
| H2 | C18 | C19 | H4 | 156.8° | 180.0° |
| H2 | C18 | C19 | H5 | 83.8° | 60.0° |
| H3 | C18 | C19 | H4 | 36.8° | 60.0° |
| H3 | C18 | C19 | H5 | 156.1° | 179.9° |
| H4 | C19 | C20 | H6 | 71.6° | 180.0° |
| H4 | C19 | C20 | H7 | 48.4° | 60.0° |
| H5 | C19 | C20 | H6 | 169.0° | 60.0° |
| H5 | C19 | C20 | H7 | 71.0° | 179.9° |
| H6 | C20 | N21 | H8 | 176.1° | 176.1° |
| H7 | C20 | N21 | H8 | 56.1° | 63.9° |
| H8 | N21 | C22 | H10 | 59.9° | 176.1° |
| H8 | N21 | C22 | H11 | 180.0° | 63.9° |
| H8 | N21 | C22 | H12 | 60.1° | 56.1° |
| H10 | C22 | H11 | H12 | 120.0° | 120.0° |
| H15 | C09 | C08 | H17 | 175.7° | 180.0° |
| H15 | C09 | C08 | H18 | 63.0° | 60.0° |
| H16 | C09 | C08 | H17 | 57.1° | 60.0° |
| H16 | C09 | C08 | H18 | 178.3° | NaN° |
| H23 | C07 | H24 | H25 | 119.9° | 119.9° |
