B9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| O30 | C23 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | O29 | sing | 1.34Å | 1.27Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | C14 | sing | 1.38Å | 1.44Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C14 | S13 | sing | 1.76Å | 1.67Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| O32 | S13 | doub | 1.42Å | 1.50Å | |
| O26 | C25 | doub | 1.21Å | 1.20Å | |
| C20 | C25 | sing | 1.51Å | 1.48Å | |
| S13 | O31 | doub | 1.42Å | 1.42Å | |
| S13 | C3 | sing | 1.76Å | 1.63Å | |
| C25 | O27 | sing | 1.34Å | 1.25Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.46Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.39Å | |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.34Å | Aromatic |
| C10 | O28 | sing | 1.36Å | 1.38Å | |
| C29 | O28 | sing | 1.43Å | 1.35Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| O27 | H2 | sing | 0.97Å | 0.95Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| O29 | H7 | sing | 0.97Å | 0.95Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C4 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 117.6° | 119.9° |
| C17 | C16 | C15 | 123.1° | 120.0° |
| C16 | C17 | H9 | 121.2° | 120.0° |
| C17 | C16 | H10 | 118.5° | 119.9° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C17 | C18 | H8 | 119.9° | 120.0° |
| C18 | C17 | H9 | 121.2° | 120.0° |
| C16 | C15 | C14 | 121.9° | 120.0° |
| C15 | C16 | H10 | 118.4° | 120.0° |
| C16 | C15 | H11 | 119.1° | 120.0° |
| C18 | C19 | C14 | 119.0° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C19 | C18 | H8 | 119.9° | 120.0° |
| O30 | C23 | O29 | 115.9° | 120.1° |
| O30 | C23 | C22 | 121.5° | 119.9° |
| C15 | C14 | C19 | 118.2° | 120.0° |
| C15 | C14 | S13 | 115.9° | 120.0° |
| C14 | C15 | H11 | 119.1° | 119.9° |
| O29 | C23 | C22 | 122.6° | 120.0° |
| C23 | O29 | H7 | 109.5° | 117.0° |
| C23 | C22 | C21 | 116.3° | 109.5° |
| C23 | C22 | H5 | 107.7° | 109.5° |
| C23 | C22 | H6 | 107.8° | 109.4° |
| C14 | C19 | C20 | 121.7° | 120.0° |
| C19 | C14 | S13 | 125.8° | 120.0° |
| C19 | C20 | C21 | 111.4° | 109.5° |
| C19 | C20 | C25 | 110.4° | 109.5° |
| C19 | C20 | H1 | 108.0° | 109.5° |
| C14 | S13 | O32 | 106.2° | 106.4° |
| C14 | S13 | O31 | 113.8° | 106.4° |
| C14 | S13 | C3 | 106.3° | 107.2° |
| C22 | C21 | C20 | 111.6° | 109.5° |
| C22 | C21 | H3 | 108.9° | 109.5° |
| C22 | C21 | H4 | 109.0° | 109.4° |
| C21 | C22 | H5 | 107.8° | 109.5° |
| C21 | C22 | H6 | 107.7° | 109.5° |
| C21 | C20 | C25 | 110.6° | 109.4° |
| C21 | C20 | H1 | 107.9° | 109.5° |
| C20 | C21 | H3 | 109.0° | 109.5° |
| C20 | C21 | H4 | 108.9° | 109.5° |
| O32 | S13 | O31 | 113.7° | 123.2° |
| O32 | S13 | C3 | 108.6° | 106.4° |
| O26 | C25 | C20 | 117.6° | 120.0° |
| O26 | C25 | O27 | 121.6° | 120.1° |
| C20 | C25 | O27 | 120.8° | 120.0° |
| C25 | C20 | H1 | 108.4° | 109.5° |
| O31 | S13 | C3 | 107.9° | 106.4° |
| S13 | C3 | C4 | 117.3° | 119.9° |
| S13 | C3 | C2 | 127.3° | 119.9° |
| C25 | O27 | H2 | 109.5° | 117.0° |
| C3 | C4 | C5 | 124.0° | 120.1° |
| C4 | C3 | C2 | 114.5° | 120.2° |
| C3 | C4 | H13 | 118.0° | 120.0° |
| C4 | C5 | C6 | 117.1° | 119.8° |
| C5 | C4 | H13 | 118.0° | 119.9° |
| C4 | C5 | H14 | 121.4° | 120.1° |
| C3 | C2 | C1 | 124.4° | 120.1° |
| C3 | C2 | H12 | 117.8° | 119.9° |
| C5 | C6 | C1 | 116.4° | 119.8° |
| C5 | C6 | C7 | 113.4° | 120.1° |
| C6 | C5 | H14 | 121.4° | 120.1° |
| C2 | C1 | C6 | 123.1° | 119.9° |
| C1 | C2 | H12 | 117.8° | 120.0° |
| C2 | C1 | H15 | 118.5° | 120.0° |
| C1 | C6 | C7 | 129.7° | 120.2° |
| C6 | C1 | H15 | 118.4° | 120.1° |
| C6 | C7 | C8 | 130.6° | 120.1° |
| C6 | C7 | C12 | 112.5° | 120.0° |
| C7 | C8 | C9 | 126.6° | 120.0° |
| C8 | C7 | C12 | 116.9° | 119.9° |
| C7 | C8 | H22 | 116.7° | 120.1° |
| C8 | C9 | C10 | 112.8° | 120.0° |
| C8 | C9 | H21 | 123.6° | 120.0° |
| C9 | C8 | H22 | 116.7° | 120.0° |
| C7 | C12 | C11 | 117.4° | 119.9° |
| C7 | C12 | H16 | 121.3° | 120.0° |
| C9 | C10 | C11 | 121.3° | 120.2° |
| C9 | C10 | O28 | 123.7° | 119.9° |
| C10 | C9 | H21 | 123.6° | 120.0° |
| C12 | C11 | C10 | 124.8° | 120.1° |
| C11 | C12 | H16 | 121.3° | 120.1° |
| C12 | C11 | H17 | 117.6° | 119.9° |
| C11 | C10 | O28 | 114.9° | 119.9° |
| C10 | C11 | H17 | 117.6° | 120.0° |
| C10 | O28 | C29 | 109.2° | 117.0° |
| O28 | C29 | H18 | 109.5° | 109.5° |
| O28 | C29 | H19 | 109.5° | 109.5° |
| O28 | C29 | H20 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H18 | C29 | H19 | 109.5° | 109.4° |
| H18 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H9 | 180.0° | 179.7° |
| C17 | C16 | C15 | H10 | 180.0° | 179.7° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C17 | C16 | C15 | C14 | 1.6° | 0.6° |
| C16 | C17 | C18 | H8 | 179.3° | 180.0° |
| C17 | C16 | C15 | H11 | 178.4° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.3° |
| C17 | C18 | C19 | H8 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 1.1° | 0.1° |
| C17 | C18 | C19 | C20 | 177.5° | 180.0° |
| C18 | C17 | C16 | H10 | 179.5° | 180.0° |
| C16 | C15 | C14 | H11 | 180.0° | 179.4° |
| C16 | C15 | C14 | C19 | 3.3° | 0.6° |
| C16 | C15 | C14 | S13 | 178.5° | 179.7° |
| C15 | C16 | C17 | H9 | 179.5° | 180.0° |
| C18 | C19 | C14 | C15 | 3.1° | 0.2° |
| C18 | C19 | C14 | C20 | 178.6° | 180.0° |
| C18 | C19 | C14 | S13 | 177.7° | 180.0° |
| C18 | C19 | C20 | C21 | 51.1° | 57.1° |
| C18 | C19 | C20 | C25 | 72.2° | 62.8° |
| C18 | C19 | C20 | H1 | 169.5° | 177.1° |
| C19 | C18 | C17 | H9 | 179.3° | 179.7° |
| O30 | C23 | O29 | C22 | 179.7° | 179.9° |
| O30 | C23 | C22 | C21 | 47.7° | 0.1° |
| O30 | C23 | C22 | H5 | 168.7° | 120.0° |
| O30 | C23 | C22 | H6 | 73.3° | 120.0° |
| O30 | C23 | O29 | H7 | 0.0° | 0.0° |
| C15 | C14 | C19 | S13 | 174.6° | 179.8° |
| C15 | C14 | C19 | C20 | 175.5° | 179.7° |
| C15 | C14 | S13 | O32 | 19.6° | 132.6° |
| C15 | C14 | S13 | O31 | 145.4° | 0.4° |
| C15 | C14 | S13 | C3 | 95.9° | 113.9° |
| C14 | C15 | C16 | H10 | 178.4° | 179.7° |
| O29 | C23 | C22 | C21 | 132.6° | 180.0° |
| O29 | C23 | C22 | H5 | 11.6° | 59.9° |
| O29 | C23 | C22 | H6 | 106.4° | 60.0° |
| C23 | C22 | C21 | H5 | 121.0° | 120.1° |
| C23 | C22 | C21 | H6 | 121.0° | 119.9° |
| C23 | C22 | C21 | C20 | 175.8° | 180.0° |
| C23 | C22 | C21 | H3 | 55.5° | 60.0° |
| C23 | C22 | C21 | H4 | 63.9° | 60.0° |
| C23 | C22 | H5 | H6 | 116.9° | 119.9° |
| C22 | C23 | O29 | H7 | 179.7° | 180.0° |
| C14 | C19 | C20 | C21 | 130.3° | 122.9° |
| C19 | C14 | S13 | O32 | 165.7° | 47.7° |
| C14 | C19 | C20 | C25 | 106.4° | 117.1° |
| C19 | C14 | S13 | O31 | 39.9° | 179.4° |
| C19 | C14 | S13 | C3 | 78.8° | 65.9° |
| C14 | C19 | C20 | H1 | 11.9° | 2.9° |
| C14 | C19 | C18 | H8 | 178.9° | 180.0° |
| C19 | C14 | C15 | H11 | 176.6° | 180.0° |
| C20 | C19 | C14 | S13 | 0.9° | 0.0° |
| C19 | C20 | C21 | C22 | 65.5° | 175.0° |
| C19 | C20 | C21 | C25 | 123.2° | 120.0° |
| C19 | C20 | C21 | H1 | 118.4° | 120.0° |
| C19 | C20 | C25 | O26 | 10.0° | 0.1° |
| C19 | C20 | C25 | H1 | 118.1° | 120.0° |
| C19 | C20 | C25 | O27 | 168.4° | 180.0° |
| C19 | C20 | C21 | H3 | 54.8° | 65.0° |
| C19 | C20 | C21 | H4 | 174.2° | 55.0° |
| C20 | C19 | C18 | H8 | 2.5° | 0.0° |
| C14 | S13 | O32 | O31 | 125.9° | 123.0° |
| C14 | S13 | O32 | C3 | 114.0° | 114.1° |
| C14 | S13 | O31 | C3 | 117.7° | 114.1° |
| C14 | S13 | C3 | C4 | 68.0° | 82.6° |
| C14 | S13 | C3 | C2 | 123.3° | 97.6° |
| S13 | C14 | C15 | H11 | 1.5° | 0.3° |
| C22 | C21 | C20 | H3 | 120.3° | 120.0° |
| C22 | C21 | C20 | H4 | 120.3° | 120.0° |
| C22 | C21 | C20 | C25 | 171.2° | 65.0° |
| C22 | C21 | C20 | H1 | 52.8° | 55.0° |
| C22 | C21 | H3 | H4 | 119.1° | 119.9° |
| C21 | C22 | H5 | H6 | 116.9° | 120.0° |
| C21 | C20 | C25 | O26 | 113.8° | 120.0° |
| C21 | C20 | C25 | H1 | 118.1° | 120.0° |
| C21 | C20 | C25 | O27 | 67.7° | 60.0° |
| C20 | C21 | H3 | H4 | 119.0° | 120.0° |
| C20 | C21 | C22 | H5 | 63.2° | 60.0° |
| C20 | C21 | C22 | H6 | 54.8° | 60.0° |
| O32 | S13 | O31 | C3 | 120.5° | 122.9° |
| O32 | S13 | C3 | C4 | 45.9° | 163.9° |
| O32 | S13 | C3 | C2 | 122.8° | 15.9° |
| O26 | C25 | C20 | O27 | 178.5° | 179.9° |
| O26 | C25 | C20 | H1 | 128.1° | 120.0° |
| O26 | C25 | O27 | H2 | 0.0° | 0.1° |
| C20 | C25 | O27 | H2 | 178.4° | 180.0° |
| C25 | C20 | C21 | H3 | 68.5° | 55.0° |
| C25 | C20 | C21 | H4 | 50.9° | 175.0° |
| O31 | S13 | C3 | C4 | 169.5° | 30.9° |
| O31 | S13 | C3 | C2 | 0.8° | 148.9° |
| S13 | C3 | C4 | C2 | 170.1° | 179.8° |
| S13 | C3 | C4 | C5 | 174.3° | 180.0° |
| S13 | C3 | C2 | C1 | 168.9° | 180.0° |
| S13 | C3 | C2 | H12 | 11.1° | 0.1° |
| S13 | C3 | C4 | H13 | 5.7° | 0.1° |
| O27 | C25 | C20 | H1 | 50.4° | 60.0° |
| C3 | C4 | C5 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.5° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.2° |
| C4 | C3 | C2 | H12 | 179.9° | 179.8° |
| C3 | C4 | C5 | H14 | 177.6° | 179.9° |
| C5 | C4 | C3 | C2 | 4.2° | 0.2° |
| C4 | C5 | C6 | H14 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 3.4° | 0.2° |
| C4 | C5 | C6 | C7 | 176.5° | 180.0° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 6.4° | 0.0° |
| C2 | C3 | C4 | H13 | 175.9° | 179.7° |
| C3 | C2 | C1 | H15 | 173.6° | 180.0° |
| C5 | C6 | C1 | C2 | 7.8° | 0.2° |
| C5 | C6 | C1 | C7 | 171.7° | 179.8° |
| C5 | C6 | C7 | C8 | 37.0° | 0.3° |
| C5 | C6 | C7 | C12 | 140.5° | 180.0° |
| C6 | C5 | C4 | H13 | 177.6° | 179.9° |
| C5 | C6 | C1 | H15 | 172.2° | 179.7° |
| C2 | C1 | C6 | H15 | 180.0° | 179.9° |
| C2 | C1 | C6 | C7 | 179.4° | 180.0° |
| C1 | C6 | C7 | C8 | 151.1° | 179.5° |
| C1 | C6 | C7 | C12 | 31.4° | 0.2° |
| C6 | C1 | C2 | H12 | 173.6° | 179.9° |
| C1 | C6 | C5 | H14 | 176.5° | 179.7° |
| C6 | C7 | C8 | C12 | 177.4° | 179.7° |
| C6 | C7 | C8 | C9 | 173.2° | 179.7° |
| C6 | C7 | C12 | C11 | 174.7° | 180.0° |
| C7 | C6 | C5 | H14 | 3.5° | 0.1° |
| C7 | C6 | C1 | H15 | 0.6° | 0.0° |
| C6 | C7 | C12 | H16 | 5.3° | 0.1° |
| C6 | C7 | C8 | H22 | 6.8° | 0.0° |
| C7 | C8 | C9 | H22 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 4.4° | 0.6° |
| C8 | C7 | C12 | C11 | 3.1° | 0.3° |
| C8 | C7 | C12 | H16 | 176.9° | 179.8° |
| C7 | C8 | C9 | H21 | 175.6° | 179.7° |
| C9 | C8 | C7 | C12 | 4.1° | 0.6° |
| C8 | C9 | C10 | H21 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 4.0° | 0.3° |
| C8 | C9 | C10 | O28 | 179.4° | 179.7° |
| C7 | C12 | C11 | H16 | 180.0° | 179.9° |
| C7 | C12 | C11 | C10 | 3.3° | 0.0° |
| C7 | C12 | C11 | H17 | 176.7° | 180.0° |
| C12 | C7 | C8 | H22 | 175.9° | 179.7° |
| C9 | C10 | C11 | C12 | 3.8° | 0.1° |
| C9 | C10 | C11 | O28 | 176.9° | 179.9° |
| C9 | C10 | O28 | C29 | 5.2° | 0.0° |
| C9 | C10 | C11 | H17 | 176.2° | 180.0° |
| C10 | C9 | C8 | H22 | 175.6° | 179.7° |
| C12 | C11 | C10 | H17 | 180.0° | 179.9° |
| C12 | C11 | C10 | O28 | 179.3° | 180.0° |
| C11 | C10 | O28 | C29 | 171.6° | 180.0° |
| C10 | C11 | C12 | H16 | 176.7° | 179.9° |
| C11 | C10 | C9 | H21 | 176.0° | 180.0° |
| O28 | C10 | C11 | H17 | 0.7° | 0.1° |
| C10 | O28 | C29 | H18 | 180.0° | 180.0° |
| C10 | O28 | C29 | H19 | 60.0° | 60.0° |
| C10 | O28 | C29 | H20 | 60.0° | 60.0° |
| O28 | C10 | C9 | H21 | 0.6° | 0.0° |
| O28 | C29 | H18 | H19 | 120.0° | 120.0° |
| O28 | C29 | H18 | H20 | 120.0° | 120.0° |
| O28 | C29 | H19 | H20 | 120.0° | 120.0° |
| H1 | C20 | C21 | H3 | 173.2° | 175.0° |
| H1 | C20 | C21 | H4 | 67.5° | 65.0° |
| H3 | C21 | C22 | H5 | 176.5° | 180.0° |
| H3 | C21 | C22 | H6 | 65.5° | 60.0° |
| H4 | C21 | C22 | H5 | 57.1° | 60.1° |
| H4 | C21 | C22 | H6 | 175.1° | 179.9° |
| H8 | C18 | C17 | H9 | 0.7° | 0.3° |
| H9 | C17 | C16 | H10 | 0.5° | 0.3° |
| H10 | C16 | C15 | H11 | 1.6° | 0.3° |
| H12 | C2 | C1 | H15 | 6.4° | 0.0° |
| H13 | C4 | C5 | H14 | 2.4° | 0.0° |
| H16 | C12 | C11 | H17 | 3.3° | 0.0° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
| H21 | C9 | C8 | H22 | 4.4° | 0.0° |
