BY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| 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 | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C11 | sing | 1.51Å | 1.51Å | |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C15 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.47Å | 1.47Å | |
| N24 | C26 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.53Å | |
| F19 | C17 | sing | 1.40Å | 1.32Å | |
| C17 | F20 | sing | 1.40Å | 1.33Å | |
| C17 | F18 | sing | 1.40Å | 1.32Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| N02 | H21 | sing | 0.97Å | 1.00Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å | |
| C03 | H23 | sing | 1.08Å | 1.08Å | |
| C05 | H24 | sing | 1.08Å | 1.08Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 121.1° | 120.7° |
| C07 | C04 | C05 | 119.8° | 120.7° |
| C04 | C07 | H25 | 109.5° | 109.5° |
| C04 | C07 | H26 | 109.5° | 109.5° |
| C04 | C07 | H27 | 109.5° | 109.4° |
| C03 | C04 | C05 | 119.2° | 118.5° |
| C04 | C03 | C02 | 119.4° | 119.1° |
| C04 | C03 | H23 | 120.3° | 120.5° |
| C04 | C05 | C06 | 120.0° | 119.3° |
| C04 | C05 | H24 | 120.0° | 120.3° |
| C03 | C02 | N02 | 121.0° | 119.7° |
| C03 | C02 | N01 | 120.0° | 120.6° |
| C02 | C03 | H23 | 120.3° | 120.4° |
| C05 | C06 | N01 | 119.7° | 120.9° |
| C05 | C06 | C08 | 120.8° | 119.6° |
| C06 | C05 | H24 | 120.0° | 120.3° |
| N02 | C02 | N01 | 119.0° | 119.7° |
| C02 | N02 | H21 | 109.5° | 120.0° |
| C02 | N02 | H22 | 109.5° | 120.0° |
| C02 | N01 | C06 | 121.6° | 121.6° |
| N01 | C06 | C08 | 119.5° | 119.5° |
| C06 | C08 | C09 | 106.0° | 109.5° |
| C06 | C08 | H19 | 110.3° | 109.5° |
| C06 | C08 | H20 | 110.3° | 109.4° |
| C08 | C09 | C11 | 113.6° | 109.5° |
| C08 | C09 | H17 | 108.4° | 109.5° |
| C08 | C09 | H18 | 108.4° | 109.5° |
| C09 | C08 | H19 | 110.3° | 109.5° |
| C09 | C08 | H20 | 110.3° | 109.5° |
| C09 | C11 | C16 | 118.8° | 120.0° |
| C09 | C11 | C12 | 121.2° | 120.0° |
| C11 | C09 | H17 | 108.4° | 109.4° |
| C11 | C09 | H18 | 108.4° | 109.4° |
| C11 | C16 | C15 | 119.7° | 120.0° |
| C16 | C11 | C12 | 120.0° | 120.0° |
| C11 | C16 | H16 | 120.1° | 120.0° |
| C16 | C15 | C21 | 119.3° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C15 | C16 | H16 | 120.2° | 120.0° |
| C11 | C12 | C13 | 121.0° | 120.0° |
| C11 | C12 | H15 | 119.5° | 119.9° |
| C15 | C21 | C22 | 109.3° | 109.5° |
| C21 | C15 | C14 | 120.6° | 120.0° |
| C15 | C21 | H2 | 109.5° | 109.5° |
| C15 | C21 | H3 | 109.5° | 109.4° |
| C21 | C22 | C23 | 110.7° | 109.4° |
| C22 | C21 | H2 | 109.5° | 109.5° |
| C22 | C21 | H3 | 109.5° | 109.5° |
| C21 | C22 | H4 | 109.2° | 109.5° |
| C21 | C22 | H5 | 109.1° | 109.4° |
| C15 | C14 | C13 | 121.2° | 120.0° |
| C15 | C14 | H1 | 119.4° | 120.0° |
| C25 | N24 | C23 | 109.0° | 111.0° |
| C25 | N24 | C26 | 109.2° | 111.0° |
| N24 | C25 | H12 | 109.5° | 109.5° |
| N24 | C25 | H13 | 109.5° | 109.5° |
| N24 | C25 | H14 | 109.5° | 109.5° |
| C22 | C23 | N24 | 110.5° | 109.4° |
| C23 | C22 | H4 | 109.2° | 109.5° |
| C23 | C22 | H5 | 109.2° | 109.5° |
| C22 | C23 | H6 | 109.2° | 109.5° |
| C22 | C23 | H7 | 109.2° | 109.5° |
| C12 | C13 | C14 | 118.0° | 120.0° |
| C12 | C13 | C17 | 121.7° | 120.0° |
| C13 | C12 | H15 | 119.5° | 120.0° |
| C23 | N24 | C26 | 109.4° | 111.0° |
| N24 | C23 | H6 | 109.2° | 109.5° |
| N24 | C23 | H7 | 109.2° | 109.5° |
| N24 | C26 | H9 | 109.5° | 109.5° |
| N24 | C26 | H10 | 109.4° | 109.5° |
| N24 | C26 | H11 | 109.4° | 109.5° |
| C14 | C13 | C17 | 120.3° | 120.0° |
| C13 | C14 | H1 | 119.4° | 120.0° |
| C13 | C17 | F19 | 109.7° | 109.5° |
| C13 | C17 | F20 | 112.2° | 109.4° |
| C13 | C17 | F18 | 110.9° | 109.5° |
| F19 | C17 | F20 | 108.8° | 109.5° |
| F19 | C17 | F18 | 108.2° | 109.5° |
| F20 | C17 | F18 | 106.9° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H12 | C25 | H14 | 109.5° | 109.4° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.4° |
| H21 | N02 | H22 | 109.5° | 120.0° |
| H25 | C07 | H26 | 109.5° | 109.5° |
| H25 | C07 | H27 | 109.4° | 109.5° |
| H26 | C07 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.6° | 179.8° |
| C07 | C04 | C03 | C02 | 179.4° | 180.0° |
| C07 | C04 | C05 | C06 | 179.7° | 179.7° |
| C07 | C04 | C03 | H23 | 0.6° | 0.1° |
| C07 | C04 | C05 | H24 | 0.3° | 0.2° |
| C04 | C07 | H25 | H26 | 120.0° | 120.0° |
| C04 | C07 | H25 | H27 | 120.0° | 120.0° |
| C04 | C07 | H26 | H27 | 120.0° | 120.0° |
| C04 | C03 | C02 | H23 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.5° |
| C04 | C03 | C02 | N02 | 179.5° | 180.0° |
| C04 | C03 | C02 | N01 | 0.1° | 0.1° |
| C03 | C04 | C05 | H24 | 179.9° | 180.0° |
| C03 | C04 | C07 | H25 | 89.8° | 90.0° |
| C03 | C04 | C07 | H26 | 150.2° | 150.0° |
| C03 | C04 | C07 | H27 | 30.2° | 30.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.3° |
| C04 | C05 | C06 | H24 | 180.0° | 179.5° |
| C04 | C05 | C06 | N01 | 0.9° | 0.6° |
| C04 | C05 | C06 | C08 | 179.0° | 179.8° |
| C05 | C04 | C03 | H23 | 179.8° | 179.8° |
| C05 | C04 | C07 | H25 | 89.8° | 89.7° |
| C05 | C04 | C07 | H26 | 30.2° | 30.2° |
| C05 | C04 | C07 | H27 | 150.2° | 150.2° |
| C03 | C02 | N02 | N01 | 179.4° | 179.9° |
| C03 | C02 | N01 | C06 | 0.8° | 0.1° |
| C03 | C02 | N02 | H21 | 179.5° | 179.9° |
| C03 | C02 | N02 | H22 | 59.4° | 0.1° |
| C05 | C06 | N01 | C02 | 1.2° | 0.4° |
| C05 | C06 | N01 | C08 | 178.2° | 179.6° |
| C05 | C06 | C08 | C09 | 98.5° | 124.7° |
| C05 | C06 | C08 | H19 | 142.1° | 4.6° |
| C05 | C06 | C08 | H20 | 21.0° | 115.3° |
| N02 | C02 | N01 | C06 | 179.8° | 180.0° |
| C02 | N02 | H21 | H22 | 120.0° | 179.9° |
| N02 | C02 | C03 | H23 | 0.5° | 0.1° |
| C02 | N01 | C06 | C08 | 179.4° | 180.0° |
| N01 | C02 | N02 | H21 | 0.0° | 0.0° |
| N01 | C02 | N02 | H22 | 120.0° | 180.0° |
| N01 | C02 | C03 | H23 | 179.9° | 180.0° |
| N01 | C06 | C08 | C09 | 79.7° | 54.9° |
| N01 | C06 | C08 | H19 | 39.8° | 175.0° |
| N01 | C06 | C08 | H20 | 160.9° | 65.1° |
| N01 | C06 | C05 | H24 | 179.2° | 179.9° |
| C06 | C08 | C09 | H19 | 119.5° | 120.0° |
| C06 | C08 | C09 | H20 | 119.4° | 120.0° |
| C06 | C08 | C09 | C11 | 159.5° | 180.0° |
| C06 | C08 | C09 | H17 | 79.9° | 60.0° |
| C06 | C08 | C09 | H18 | 38.9° | 60.1° |
| C06 | C08 | H19 | H20 | 121.6° | 119.9° |
| C08 | C06 | C05 | H24 | 1.0° | 0.3° |
| C08 | C09 | C11 | H17 | 120.6° | 120.1° |
| C08 | C09 | C11 | H18 | 120.6° | 120.0° |
| C08 | C09 | C11 | C16 | 94.8° | 89.9° |
| C08 | C09 | C11 | C12 | 86.0° | 89.9° |
| C08 | C09 | H17 | H18 | 118.1° | 120.1° |
| C09 | C08 | H19 | H20 | 121.6° | 120.1° |
| C09 | C11 | C16 | C12 | 179.1° | 179.9° |
| C09 | C11 | C16 | C15 | 179.8° | 179.8° |
| C09 | C11 | C12 | C13 | 180.0° | 180.0° |
| C09 | C11 | C12 | H15 | 0.1° | 0.1° |
| C09 | C11 | C16 | H16 | 0.2° | 0.1° |
| C11 | C09 | H17 | H18 | 118.1° | 119.9° |
| C11 | C09 | C08 | H19 | 40.0° | 60.0° |
| C11 | C09 | C08 | H20 | 81.1° | 60.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | C21 | 179.7° | 179.7° |
| C11 | C16 | C15 | C14 | 0.5° | 0.2° |
| C16 | C11 | C12 | C13 | 0.9° | 0.1° |
| C16 | C11 | C12 | H15 | 179.2° | 180.0° |
| C16 | C11 | C09 | H17 | 25.7° | 30.1° |
| C16 | C11 | C09 | H18 | 144.6° | 150.1° |
| C15 | C16 | C11 | C12 | 0.7° | 0.3° |
| C16 | C15 | C21 | C14 | 179.8° | 179.9° |
| C16 | C15 | C21 | C22 | 71.4° | 90.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.1° |
| C16 | C15 | C14 | H1 | 179.6° | 180.0° |
| C16 | C15 | C21 | H2 | 48.6° | 30.1° |
| C16 | C15 | C21 | H3 | 168.7° | 150.0° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.8° | 0.2° |
| C11 | C12 | C13 | C17 | 179.8° | 179.9° |
| C12 | C11 | C16 | H16 | 179.4° | 180.0° |
| C12 | C11 | C09 | H17 | 153.4° | 150.0° |
| C12 | C11 | C09 | H18 | 34.5° | 30.1° |
| C15 | C21 | C22 | H2 | 119.9° | 120.0° |
| C15 | C21 | C22 | H3 | 120.0° | 119.9° |
| C15 | C21 | C22 | C23 | 166.0° | 180.0° |
| C21 | C15 | C14 | C13 | 179.7° | 180.0° |
| C21 | C15 | C14 | H1 | 0.3° | 0.1° |
| C15 | C21 | H2 | H3 | 120.1° | 119.9° |
| C15 | C21 | C22 | H4 | 45.8° | 60.0° |
| C15 | C21 | C22 | H5 | 73.8° | 60.1° |
| C21 | C15 | C16 | H16 | 0.3° | 0.0° |
| C22 | C21 | C15 | C14 | 108.8° | 89.9° |
| C21 | C22 | C23 | H4 | 120.2° | 120.0° |
| C21 | C22 | C23 | H5 | 120.2° | 119.9° |
| C21 | C22 | C23 | N24 | 168.3° | 180.0° |
| C22 | C21 | H2 | H3 | 120.1° | 120.1° |
| C21 | C22 | H4 | H5 | 119.4° | 120.0° |
| C21 | C22 | C23 | H6 | 71.6° | 60.0° |
| C21 | C22 | C23 | H7 | 48.1° | 60.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.3° |
| C15 | C14 | C13 | H1 | 180.0° | 179.9° |
| C15 | C14 | C13 | C17 | 180.0° | 180.0° |
| C14 | C15 | C21 | H2 | 131.3° | 150.0° |
| C14 | C15 | C21 | H3 | 11.2° | 30.1° |
| C14 | C15 | C16 | H16 | 179.6° | 179.9° |
| C25 | N24 | C23 | C22 | 125.4° | 170.0° |
| C25 | N24 | C23 | C26 | 119.4° | 123.9° |
| C25 | N24 | C23 | H6 | 5.2° | 70.0° |
| C25 | N24 | C23 | H7 | 114.5° | 50.0° |
| C25 | N24 | C26 | H9 | 180.0° | 64.0° |
| C25 | N24 | C26 | H10 | 60.0° | 56.0° |
| C25 | N24 | C26 | H11 | 60.0° | 176.0° |
| N24 | C25 | H12 | H13 | 120.0° | 120.0° |
| N24 | C25 | H12 | H14 | 120.0° | 120.0° |
| N24 | C25 | H13 | H14 | 120.0° | 120.0° |
| C22 | C23 | N24 | H6 | 120.2° | 120.0° |
| C22 | C23 | N24 | H7 | 120.1° | 120.0° |
| C22 | C23 | N24 | C26 | 115.3° | 66.1° |
| C23 | C22 | C21 | H2 | 74.1° | 60.0° |
| C23 | C22 | C21 | H3 | 46.0° | 60.0° |
| C23 | C22 | H4 | H5 | 119.4° | 120.0° |
| C22 | C23 | H6 | H7 | 119.5° | 120.0° |
| C12 | C13 | C14 | C17 | 179.3° | 179.7° |
| C12 | C13 | C17 | F19 | 72.3° | 29.7° |
| C12 | C13 | C17 | F20 | 48.8° | 90.3° |
| C12 | C13 | C17 | F18 | 168.3° | 149.7° |
| C12 | C13 | C14 | H1 | 179.4° | 179.7° |
| N24 | C23 | C22 | H4 | 48.1° | 60.0° |
| N24 | C23 | C22 | H5 | 71.6° | 60.0° |
| N24 | C23 | H6 | H7 | 119.5° | 120.0° |
| C23 | N24 | C26 | H9 | 60.7° | 60.0° |
| C23 | N24 | C26 | H10 | 179.3° | 180.0° |
| C23 | N24 | C26 | H11 | 59.2° | 60.0° |
| C23 | N24 | C25 | H12 | 180.0° | 60.0° |
| C23 | N24 | C25 | H13 | 60.0° | 180.0° |
| C23 | N24 | C25 | H14 | 60.0° | 60.0° |
| C26 | N24 | C23 | H6 | 124.6° | 53.9° |
| C26 | N24 | C23 | H7 | 4.8° | 174.0° |
| N24 | C26 | H9 | H10 | 120.0° | 120.0° |
| N24 | C26 | H9 | H11 | 120.0° | 120.0° |
| N24 | C26 | H10 | H11 | 120.0° | 120.0° |
| C26 | N24 | C25 | H12 | 60.5° | 176.1° |
| C26 | N24 | C25 | H13 | 179.5° | 56.0° |
| C26 | N24 | C25 | H14 | 59.5° | 64.0° |
| C14 | C13 | C17 | F19 | 107.0° | 150.0° |
| C14 | C13 | C17 | F20 | 131.9° | 90.1° |
| C14 | C13 | C17 | F18 | 12.4° | 30.0° |
| C14 | C13 | C12 | H15 | 179.2° | 179.7° |
| C13 | C17 | F19 | F20 | 123.2° | 119.9° |
| C13 | C17 | F19 | F18 | 121.0° | 120.0° |
| C13 | C17 | F20 | F18 | 121.8° | 120.1° |
| C17 | C13 | C14 | H1 | 0.0° | 0.0° |
| C17 | C13 | C12 | H15 | 0.1° | 0.0° |
| F19 | C17 | F20 | F18 | 116.6° | 120.0° |
| H2 | C21 | C22 | H4 | 165.7° | 180.0° |
| H2 | C21 | C22 | H5 | 46.1° | 60.0° |
| H3 | C21 | C22 | H4 | 74.2° | 60.0° |
| H3 | C21 | C22 | H5 | 166.2° | 180.0° |
| H4 | C22 | C23 | H6 | 168.2° | NaN° |
| H4 | C22 | C23 | H7 | 72.1° | 60.0° |
| H5 | C22 | C23 | H6 | 48.6° | 59.9° |
| H5 | C22 | C23 | H7 | 168.3° | 180.0° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H17 | C09 | C08 | H19 | 160.6° | 180.0° |
| H17 | C09 | C08 | H20 | 39.5° | 60.0° |
| H18 | C09 | C08 | H19 | 80.6° | 59.9° |
| H18 | C09 | C08 | H20 | 158.3° | 180.0° |
| H25 | C07 | H26 | H27 | 120.0° | 120.0° |
