B2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C18 | sing | 1.35Å | 1.35Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | O | doub | 1.21Å | 1.21Å | |
| C3 | N | sing | 1.35Å | 1.30Å | |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | N1 | sing | 1.39Å | 1.32Å | |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | C12 | sing | 1.35Å | 1.32Å | |
| C12 | O1 | doub | 1.22Å | 1.30Å | |
| C12 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C9 | sing | 1.39Å | 1.35Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C5 | H53C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | HA | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C18 | C17 | 118.3° | 120.0° |
| F | C18 | C13 | 122.2° | 120.0° |
| C17 | C18 | C13 | 119.5° | 119.9° |
| C18 | C17 | C16 | 122.0° | 120.0° |
| C18 | C17 | H17 | 119.0° | 120.0° |
| C18 | C13 | C14 | 118.8° | 120.0° |
| C18 | C13 | C1 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.1° | 120.0° |
| C16 | C17 | H17 | 119.0° | 120.0° |
| C17 | C16 | H16 | 120.4° | 120.0° |
| C16 | C15 | C14 | 119.5° | 120.0° |
| C15 | C16 | H16 | 120.5° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C15 | C14 | H14 | 119.4° | 120.0° |
| C14 | C13 | C1 | 121.0° | 120.0° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C13 | C1 | C | 116.5° | 109.4° |
| C13 | C1 | C2 | 104.7° | 109.5° |
| C13 | C1 | H1 | 108.4° | 109.5° |
| C | C1 | C2 | 110.9° | 109.5° |
| C | C1 | H1 | 108.0° | 109.5° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.5° | 109.4° |
| C1 | C2 | C3 | 108.4° | 109.5° |
| C2 | C1 | H1 | 108.0° | 109.5° |
| C1 | C2 | H21C | 109.7° | 109.5° |
| C1 | C2 | H22C | 109.7° | 109.5° |
| C2 | C3 | O | 119.1° | 119.9° |
| C2 | C3 | N | 117.5° | 120.0° |
| C3 | C2 | H21C | 109.7° | 109.5° |
| C3 | C2 | H22C | 109.8° | 109.4° |
| O | C3 | N | 123.4° | 120.0° |
| C3 | N | C4 | 118.2° | 120.0° |
| C3 | N | H | 120.9° | 120.0° |
| N | C4 | C5 | 109.4° | 109.4° |
| N | C4 | C6 | 112.7° | 109.5° |
| C4 | N | H | 120.9° | 120.0° |
| N | C4 | H4 | 107.5° | 109.5° |
| C5 | C4 | C6 | 112.8° | 109.5° |
| C5 | C4 | H4 | 106.9° | 109.4° |
| C4 | C5 | H51C | 109.5° | 109.5° |
| C4 | C5 | H52C | 109.5° | 109.5° |
| C4 | C5 | H53C | 109.5° | 109.4° |
| C4 | C6 | C11 | 117.8° | 119.8° |
| C4 | C6 | C7 | 122.5° | 119.9° |
| C6 | C4 | H4 | 107.1° | 109.5° |
| C11 | C6 | C7 | 119.7° | 120.3° |
| C6 | C11 | C10 | 118.1° | 119.8° |
| C6 | C11 | H11 | 120.9° | 120.1° |
| C6 | C7 | C8 | 120.7° | 120.3° |
| C6 | C7 | H7 | 119.7° | 119.8° |
| C11 | C10 | N1 | 130.2° | 133.3° |
| C11 | C10 | C9 | 122.9° | 119.9° |
| C10 | C11 | H11 | 120.9° | 120.1° |
| N1 | C10 | C9 | 106.8° | 106.8° |
| C10 | N1 | C12 | 107.9° | 108.4° |
| C10 | N1 | HA | 126.0° | 125.8° |
| C10 | C9 | N2 | 108.6° | 106.8° |
| C10 | C9 | C8 | 118.4° | 119.8° |
| N1 | C12 | O1 | 118.9° | 125.2° |
| N1 | C12 | N2 | 112.6° | 109.7° |
| C12 | N1 | HA | 126.0° | 125.8° |
| O1 | C12 | N2 | 128.5° | 125.1° |
| C12 | N2 | C9 | 104.0° | 108.4° |
| C12 | N2 | H2 | 128.0° | 125.9° |
| N2 | C9 | C8 | 133.0° | 133.4° |
| C9 | N2 | H2 | 128.0° | 125.7° |
| C9 | C8 | C7 | 120.1° | 119.9° |
| C9 | C8 | H8 | 119.9° | 120.1° |
| C8 | C7 | H7 | 119.6° | 119.9° |
| C7 | C8 | H8 | 119.9° | 120.1° |
| HC1 | C | HC2 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.4° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.4° | 109.5° |
| H51C | C5 | H53C | 109.5° | 109.5° |
| H52C | C5 | H53C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C18 | C17 | C13 | 179.4° | 179.7° |
| F | C18 | C17 | C16 | 179.7° | 180.0° |
| F | C18 | C13 | C14 | 178.7° | 179.7° |
| F | C18 | C13 | C1 | 2.9° | 0.1° |
| F | C18 | C17 | H17 | 0.3° | 0.1° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C18 | C13 | C14 | 1.9° | 0.6° |
| C17 | C18 | C13 | C1 | 177.7° | 179.7° |
| C18 | C17 | C16 | H16 | 179.5° | 180.0° |
| C13 | C18 | C17 | C16 | 0.3° | 0.3° |
| C18 | C13 | C14 | C15 | 2.8° | 0.6° |
| C18 | C13 | C14 | C1 | 175.7° | 179.7° |
| C18 | C13 | C1 | C | 135.1° | 120.0° |
| C18 | C13 | C1 | C2 | 102.0° | 120.0° |
| C13 | C18 | C17 | H17 | 179.7° | 179.7° |
| C18 | C13 | C14 | H14 | 177.2° | 179.7° |
| C18 | C13 | C1 | H1 | 13.1° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.4° | 0.0° |
| C17 | C16 | C15 | H15 | 179.6° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 2.0° | 0.3° |
| C15 | C16 | C17 | H17 | 179.5° | 180.0° |
| C16 | C15 | C14 | H14 | 178.0° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.7° |
| C15 | C14 | C13 | C1 | 178.5° | 179.7° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| C14 | C13 | C1 | C | 49.2° | 59.7° |
| C14 | C13 | C1 | C2 | 73.6° | 60.3° |
| C13 | C14 | C15 | H15 | 178.0° | 179.7° |
| C14 | C13 | C1 | H1 | 171.3° | 179.7° |
| C13 | C1 | C | C2 | 119.6° | 120.0° |
| C13 | C1 | C | H1 | 122.2° | 120.0° |
| C13 | C1 | C2 | H1 | 115.4° | 120.0° |
| C13 | C1 | C2 | C3 | 160.3° | 175.0° |
| C1 | C13 | C14 | H14 | 1.5° | 0.0° |
| C13 | C1 | C | HC1 | 180.0° | 60.0° |
| C13 | C1 | C | HC2 | 60.0° | 60.0° |
| C13 | C1 | C | HC3 | 60.0° | 180.0° |
| C13 | C1 | C2 | H21C | 79.9° | 65.0° |
| C13 | C1 | C2 | H22C | 40.4° | 55.0° |
| C | C1 | C2 | H1 | 118.2° | 120.0° |
| C | C1 | C2 | C3 | 73.3° | 65.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C | C1 | C2 | H21C | 46.6° | 55.0° |
| C | C1 | C2 | H22C | 166.9° | 175.0° |
| C1 | C2 | C3 | H21C | 119.9° | 120.0° |
| C1 | C2 | C3 | H22C | 119.8° | 120.0° |
| C1 | C2 | C3 | O | 72.4° | 0.0° |
| C1 | C2 | C3 | N | 107.0° | 180.0° |
| C2 | C1 | C | HC1 | 60.4° | 180.0° |
| C2 | C1 | C | HC2 | 179.6° | 60.0° |
| C2 | C1 | C | HC3 | 59.6° | 60.0° |
| C1 | C2 | H21C | H22C | 120.4° | 120.0° |
| C2 | C3 | O | N | 179.4° | 180.0° |
| C2 | C3 | N | C4 | 175.1° | 180.0° |
| C3 | C2 | C1 | H1 | 44.9° | 55.0° |
| C3 | C2 | H21C | H22C | 120.5° | 119.9° |
| C2 | C3 | N | H | 4.9° | 0.0° |
| O | C3 | N | C4 | 5.5° | 0.0° |
| O | C3 | C2 | H21C | 167.8° | 120.0° |
| O | C3 | C2 | H22C | 47.4° | 120.1° |
| O | C3 | N | H | 174.5° | 179.9° |
| C3 | N | C4 | H | 180.0° | 179.9° |
| C3 | N | C4 | C5 | 140.5° | 85.0° |
| C3 | N | C4 | C6 | 93.1° | 155.0° |
| N | C3 | C2 | H21C | 12.8° | 60.0° |
| N | C3 | C2 | H22C | 133.1° | 59.9° |
| C3 | N | C4 | H4 | 24.8° | 34.9° |
| N | C4 | C5 | C6 | 126.4° | 120.0° |
| N | C4 | C5 | H4 | 116.1° | 120.0° |
| N | C4 | C6 | H4 | 118.0° | 120.1° |
| N | C4 | C6 | C11 | 148.3° | 140.0° |
| N | C4 | C6 | C7 | 29.6° | 39.6° |
| N | C4 | C5 | H51C | 180.0° | 60.0° |
| N | C4 | C5 | H52C | 60.0° | 180.0° |
| N | C4 | C5 | H53C | 60.0° | 60.0° |
| C5 | C4 | C6 | H4 | 117.4° | 119.9° |
| C5 | C4 | C6 | C11 | 87.1° | 100.0° |
| C5 | C4 | C6 | C7 | 95.0° | 80.3° |
| C5 | C4 | N | H | 39.5° | 95.1° |
| C4 | C5 | H51C | H52C | 120.0° | 120.1° |
| C4 | C5 | H51C | H53C | 120.0° | 119.9° |
| C4 | C5 | H52C | H53C | 120.0° | 119.9° |
| C4 | C6 | C11 | C7 | 178.0° | 179.6° |
| C4 | C6 | C11 | C10 | 177.7° | 180.0° |
| C4 | C6 | C7 | C8 | 177.6° | 179.7° |
| C6 | C4 | N | H | 86.9° | 24.9° |
| C6 | C4 | C5 | H51C | 53.6° | 180.0° |
| C6 | C4 | C5 | H52C | 66.4° | 60.0° |
| C6 | C4 | C5 | H53C | 173.7° | 60.0° |
| C4 | C6 | C11 | H11 | 2.3° | 0.1° |
| C4 | C6 | C7 | H7 | 2.4° | 0.1° |
| C6 | C11 | C10 | H11 | 180.0° | 179.9° |
| C6 | C11 | C10 | N1 | 179.9° | 180.0° |
| C6 | C11 | C10 | C9 | 1.8° | 0.1° |
| C11 | C6 | C7 | C8 | 0.3° | 0.6° |
| C11 | C6 | C4 | H4 | 30.3° | 19.9° |
| C11 | C6 | C7 | H7 | 179.7° | 179.7° |
| C7 | C6 | C11 | C10 | 0.3° | 0.4° |
| C6 | C7 | C8 | C9 | 1.8° | 0.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C7 | C6 | C4 | H4 | 147.6° | 159.7° |
| C7 | C6 | C11 | H11 | 179.7° | 179.8° |
| C6 | C7 | C8 | H8 | 178.2° | 179.7° |
| C11 | C10 | N1 | C9 | 178.5° | 179.9° |
| C11 | C10 | N1 | C12 | 178.7° | 180.0° |
| C11 | C10 | C9 | N2 | 178.4° | 180.0° |
| C11 | C10 | C9 | C8 | 3.2° | 0.0° |
| C11 | C10 | N1 | HA | 1.3° | 0.1° |
| C10 | N1 | C12 | HA | 180.0° | 179.9° |
| C10 | N1 | C12 | O1 | 179.9° | 180.0° |
| C10 | N1 | C12 | N2 | 0.7° | 0.0° |
| N1 | C10 | C9 | N2 | 0.3° | 0.0° |
| N1 | C10 | C9 | C8 | 178.1° | 180.0° |
| N1 | C10 | C11 | H11 | 0.0° | 0.1° |
| C9 | C10 | N1 | C12 | 0.2° | 0.0° |
| C10 | C9 | N2 | C12 | 0.7° | 0.0° |
| C10 | C9 | N2 | C8 | 178.1° | 180.0° |
| C10 | C9 | C8 | C7 | 3.1° | 0.3° |
| C9 | C10 | C11 | H11 | 178.2° | 179.9° |
| C9 | C10 | N1 | HA | 179.8° | 180.0° |
| C10 | C9 | N2 | H2 | 179.4° | 180.0° |
| C10 | C9 | C8 | H8 | 176.9° | 180.0° |
| N1 | C12 | O1 | N2 | 179.3° | 180.0° |
| N1 | C12 | N2 | C9 | 0.8° | 0.0° |
| N1 | C12 | N2 | H2 | 179.2° | 180.0° |
| O1 | C12 | N2 | C9 | 179.8° | 180.0° |
| O1 | C12 | N1 | HA | 0.1° | 0.1° |
| O1 | C12 | N2 | H2 | 0.2° | 0.0° |
| C12 | N2 | C9 | H2 | 180.0° | 180.0° |
| C12 | N2 | C9 | C8 | 177.4° | 180.0° |
| N2 | C12 | N1 | HA | 179.3° | 179.9° |
| N2 | C9 | C8 | C7 | 178.9° | 179.8° |
| N2 | C9 | C8 | H8 | 1.1° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 179.8° |
| C9 | C8 | C7 | H7 | 178.2° | 179.7° |
| C8 | C9 | N2 | H2 | 2.5° | 0.0° |
| H17 | C17 | C16 | H16 | 0.5° | 0.0° |
| H16 | C16 | C15 | H15 | 0.4° | 0.0° |
| H15 | C15 | C14 | H14 | 2.0° | 0.0° |
| H1 | C1 | C | HC1 | 57.8° | 60.0° |
| H1 | C1 | C | HC2 | 62.2° | 180.0° |
| H1 | C1 | C | HC3 | 177.8° | 60.0° |
| H1 | C1 | C2 | H21C | 164.8° | 175.0° |
| H1 | C1 | C2 | H22C | 74.9° | 65.0° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H | N | C4 | H4 | 155.3° | 145.0° |
| H4 | C4 | C5 | H51C | 63.9° | 60.0° |
| H4 | C4 | C5 | H52C | 176.1° | 60.0° |
| H4 | C4 | C5 | H53C | 56.1° | 180.0° |
| H51C | C5 | H52C | H53C | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 1.8° | 0.0° |
