B0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.52Å | |
| C05 | C12 | doub | 1.36Å | 1.52Å | |
| C05 | C04 | sing | 1.42Å | 1.49Å | |
| C12 | N13 | sing | 1.36Å | 1.51Å | |
| O14 | C04 | sing | 1.35Å | 1.40Å | |
| O14 | C15 | sing | 1.43Å | 1.65Å | |
| C04 | C03 | doub | 1.38Å | 1.54Å | |
| N13 | C02 | sing | 1.35Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | C19 | sing | 1.53Å | 1.38Å | |
| C03 | C02 | sing | 1.40Å | 1.52Å | |
| C03 | C20 | sing | 1.51Å | 1.42Å | |
| C16 | C17 | doub | 1.31Å | 1.32Å | |
| C21 | C20 | sing | 1.53Å | 1.57Å | |
| C21 | C23 | sing | 1.53Å | 1.59Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C20 | C19 | sing | 1.53Å | 1.61Å | |
| C23 | C24 | sing | 1.53Å | 1.61Å | |
| C19 | C25 | sing | 1.52Å | 1.58Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| N13 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 120.6° | 120.3° |
| C09 | C10 | C11 | 118.2° | 120.1° |
| C10 | C09 | H4 | 119.7° | 119.8° |
| C09 | C10 | H5 | 120.9° | 119.9° |
| C09 | C08 | C07 | 121.5° | 120.2° |
| C09 | C08 | H3 | 119.2° | 119.9° |
| C08 | C09 | H4 | 119.7° | 119.9° |
| C10 | C11 | C06 | 120.9° | 119.9° |
| C11 | C10 | H5 | 120.9° | 120.0° |
| C10 | C11 | H6 | 119.6° | 120.0° |
| C08 | C07 | C06 | 117.6° | 119.8° |
| C08 | C07 | H2 | 121.2° | 120.1° |
| C07 | C08 | H3 | 119.3° | 119.9° |
| C11 | C06 | C07 | 121.1° | 119.8° |
| C11 | C06 | C05 | 114.3° | 120.1° |
| C06 | C11 | H6 | 119.5° | 120.1° |
| C07 | C06 | C05 | 124.5° | 120.1° |
| C06 | C07 | H2 | 121.2° | 120.1° |
| C06 | C05 | C12 | 118.6° | 120.2° |
| C06 | C05 | C04 | 124.7° | 120.1° |
| C12 | C05 | C04 | 116.6° | 119.7° |
| C05 | C12 | N13 | 123.2° | 120.8° |
| C05 | C12 | H7 | 118.4° | 119.6° |
| C05 | C04 | O14 | 124.2° | 118.8° |
| C05 | C04 | C03 | 120.5° | 118.6° |
| C12 | N13 | C02 | 120.4° | 121.1° |
| N13 | C12 | H7 | 118.4° | 119.6° |
| C12 | N13 | H26 | 119.8° | 119.5° |
| C04 | O14 | C15 | 107.4° | 118.1° |
| O14 | C04 | C03 | 115.3° | 122.5° |
| O14 | C15 | C16 | 108.2° | 109.7° |
| O14 | C15 | C19 | 116.8° | 108.1° |
| O14 | C15 | H8 | 106.5° | 109.8° |
| C04 | C03 | C02 | 121.3° | 119.5° |
| C04 | C03 | C20 | 116.1° | 121.2° |
| N13 | C02 | C03 | 118.1° | 120.4° |
| N13 | C02 | O01 | 120.3° | 119.8° |
| C02 | N13 | H26 | 119.8° | 119.5° |
| C22 | C21 | C20 | 111.6° | 109.4° |
| C22 | C21 | C23 | 110.6° | 109.4° |
| C22 | C21 | H16 | 108.3° | 109.3° |
| C21 | C22 | H17 | 109.5° | 109.5° |
| C21 | C22 | H18 | 109.4° | 109.5° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C16 | C15 | C19 | 107.4° | 109.7° |
| C15 | C16 | C17 | 122.6° | 120.0° |
| C16 | C15 | H8 | 107.8° | 109.8° |
| C15 | C16 | H9 | 118.7° | 120.0° |
| C15 | C19 | C20 | 113.0° | 108.7° |
| C15 | C19 | C25 | 114.5° | 111.1° |
| C19 | C15 | H8 | 109.8° | 109.7° |
| C15 | C19 | H14 | 108.4° | 108.7° |
| C02 | C03 | C20 | 122.6° | 119.3° |
| C03 | C02 | O01 | 121.6° | 119.8° |
| C03 | C20 | C21 | 112.0° | 108.1° |
| C03 | C20 | C19 | 105.6° | 108.6° |
| C03 | C20 | H15 | 111.3° | 109.8° |
| C16 | C17 | C18 | 120.0° | 120.0° |
| C17 | C16 | H9 | 118.7° | 120.0° |
| C16 | C17 | H10 | 120.0° | 120.0° |
| C20 | C21 | C23 | 111.5° | 110.0° |
| C21 | C20 | C19 | 110.3° | 110.0° |
| C21 | C20 | H15 | 109.0° | 110.6° |
| C20 | C21 | H16 | 107.3° | 109.3° |
| C21 | C23 | C24 | 113.5° | 109.1° |
| C23 | C21 | H16 | 107.2° | 109.3° |
| C21 | C23 | H20 | 108.5° | 109.5° |
| C21 | C23 | H21 | 108.5° | 109.5° |
| C18 | C17 | H10 | 120.0° | 120.0° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C17 | C18 | H12 | 109.5° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.5° |
| C20 | C19 | C25 | 108.5° | 111.6° |
| C20 | C19 | H14 | 105.8° | 107.9° |
| C19 | C20 | H15 | 108.6° | 109.7° |
| C23 | C24 | C25 | 118.3° | 108.9° |
| C24 | C23 | H20 | 108.4° | 109.6° |
| C24 | C23 | H21 | 108.5° | 109.6° |
| C23 | C24 | H22 | 107.2° | 109.6° |
| C23 | C24 | H23 | 107.3° | 109.6° |
| C19 | C25 | C24 | 115.9° | 110.4° |
| C25 | C19 | H14 | 106.0° | 108.7° |
| C19 | C25 | H24 | 107.9° | 109.3° |
| C19 | C25 | H25 | 107.8° | 109.3° |
| C25 | C24 | H22 | 107.2° | 109.5° |
| C25 | C24 | H23 | 107.2° | 109.6° |
| C24 | C25 | H24 | 107.9° | 109.3° |
| C24 | C25 | H25 | 107.8° | 109.3° |
| H11 | C18 | H12 | 109.5° | 109.4° |
| H11 | C18 | H13 | 109.4° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.4° | 109.4° |
| H17 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.4° | 109.6° |
| H22 | C24 | H23 | 109.5° | 109.7° |
| H24 | C25 | H25 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H4 | 180.0° | 179.8° |
| C09 | C10 | C11 | H5 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C09 | C10 | C11 | C06 | 1.1° | 0.6° |
| C10 | C09 | C08 | H3 | 179.9° | 180.0° |
| C09 | C10 | C11 | H6 | 178.9° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.3° |
| C09 | C08 | C07 | H3 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 1.7° | 0.1° |
| C09 | C08 | C07 | H2 | 178.3° | 180.0° |
| C08 | C09 | C10 | H5 | 179.8° | 180.0° |
| C10 | C11 | C06 | H6 | 180.0° | 179.4° |
| C10 | C11 | C06 | C07 | 2.8° | 0.5° |
| C10 | C11 | C06 | C05 | 178.4° | 179.7° |
| C11 | C10 | C09 | H4 | 179.8° | 180.0° |
| C08 | C07 | C06 | C11 | 3.0° | 0.2° |
| C08 | C07 | C06 | H2 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 178.1° | 180.0° |
| C07 | C08 | C09 | H4 | 179.9° | 179.7° |
| C11 | C06 | C07 | C05 | 175.1° | 179.8° |
| C11 | C06 | C05 | C12 | 115.6° | 115.3° |
| C11 | C06 | C05 | C04 | 60.2° | 65.0° |
| C11 | C06 | C07 | H2 | 177.0° | 179.7° |
| C06 | C11 | C10 | H5 | 178.9° | 179.7° |
| C07 | C06 | C05 | C12 | 59.9° | 64.9° |
| C07 | C06 | C05 | C04 | 124.4° | 114.8° |
| C06 | C07 | C08 | H3 | 178.3° | 180.0° |
| C07 | C06 | C11 | H6 | 177.2° | 180.0° |
| C06 | C05 | C12 | C04 | 176.1° | 179.7° |
| C06 | C05 | C12 | N13 | 178.4° | 180.0° |
| C06 | C05 | C04 | O14 | 6.0° | 1.1° |
| C06 | C05 | C04 | C03 | 176.9° | 179.3° |
| C05 | C06 | C07 | H2 | 1.9° | 0.0° |
| C05 | C06 | C11 | H6 | 1.6° | 0.3° |
| C06 | C05 | C12 | H7 | 1.6° | 0.3° |
| C05 | C12 | N13 | H7 | 180.0° | 179.7° |
| C12 | C05 | C04 | O14 | 178.2° | 179.2° |
| C12 | C05 | C04 | C03 | 1.0° | 0.4° |
| C05 | C12 | N13 | C02 | 2.7° | 1.0° |
| C05 | C12 | N13 | H26 | 177.3° | 179.5° |
| C04 | C05 | C12 | N13 | 2.3° | 0.3° |
| C05 | C04 | O14 | C03 | 177.3° | 179.6° |
| C05 | C04 | O14 | C15 | 130.2° | 165.1° |
| C05 | C04 | C03 | C02 | 0.1° | 0.4° |
| C05 | C04 | C03 | C20 | 178.9° | 179.3° |
| C04 | C05 | C12 | H7 | 177.7° | 180.0° |
| C12 | N13 | C02 | H26 | 180.0° | 179.5° |
| C12 | N13 | C02 | C03 | 1.6° | 0.9° |
| C12 | N13 | C02 | O01 | 178.7° | 179.3° |
| C04 | O14 | C15 | C16 | 77.2° | 166.3° |
| C04 | O14 | C15 | C19 | 44.0° | 46.7° |
| O14 | C04 | C03 | C02 | 177.5° | 179.1° |
| O14 | C04 | C03 | C20 | 1.5° | 1.1° |
| C04 | O14 | C15 | H8 | 167.1° | 73.0° |
| C15 | O14 | C04 | C03 | 47.1° | 15.3° |
| O14 | C15 | C16 | C19 | 126.9° | 118.6° |
| O14 | C15 | C16 | H8 | 114.9° | 120.7° |
| O14 | C15 | C19 | H8 | 121.4° | 119.7° |
| O14 | C15 | C16 | C17 | 77.4° | 6.4° |
| O14 | C15 | C19 | C20 | 8.0° | 64.8° |
| O14 | C15 | C19 | C25 | 132.9° | 172.0° |
| O14 | C15 | C16 | H9 | 102.7° | 173.7° |
| O14 | C15 | C19 | H14 | 108.9° | 52.4° |
| C04 | C03 | C02 | N13 | 0.3° | 0.2° |
| C04 | C03 | C02 | C20 | 179.0° | 179.7° |
| C04 | C03 | C20 | C21 | 66.0° | 99.2° |
| C04 | C03 | C02 | O01 | 180.0° | 180.0° |
| C04 | C03 | C20 | C19 | 54.1° | 20.2° |
| C04 | C03 | C20 | H15 | 171.7° | 140.1° |
| N13 | C02 | C03 | O01 | 179.7° | 179.8° |
| N13 | C02 | C03 | C20 | 178.6° | 180.0° |
| C02 | N13 | C12 | H7 | 177.3° | 179.3° |
| C22 | C21 | C20 | C03 | 55.3° | 63.9° |
| C22 | C21 | C20 | C23 | 124.3° | 120.2° |
| C22 | C21 | C20 | H16 | 118.5° | 119.7° |
| C22 | C21 | C23 | H16 | 117.9° | 119.7° |
| C22 | C21 | C20 | C19 | 172.6° | 177.6° |
| C22 | C21 | C23 | C24 | 169.8° | 178.7° |
| C22 | C21 | C20 | H15 | 68.3° | 56.2° |
| C21 | C22 | H17 | H18 | 120.0° | 120.0° |
| C21 | C22 | H17 | H19 | 120.0° | 120.0° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C22 | C21 | C23 | H20 | 69.6° | 58.8° |
| C22 | C21 | C23 | H21 | 49.2° | 61.4° |
| C16 | C15 | C19 | H8 | 116.9° | 120.7° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C15 | C19 | C20 | 129.6° | 175.6° |
| C16 | C15 | C19 | C25 | 105.4° | 52.4° |
| C15 | C16 | C17 | H10 | 0.2° | 0.1° |
| C16 | C15 | C19 | H14 | 12.7° | 67.2° |
| C15 | C19 | C20 | C03 | 56.3° | 50.5° |
| C19 | C15 | C16 | C17 | 49.5° | 125.0° |
| C15 | C19 | C20 | C21 | 64.9° | 67.7° |
| C15 | C19 | C20 | C25 | 128.2° | 122.9° |
| C15 | C19 | C20 | H14 | 118.4° | 117.7° |
| C15 | C19 | C25 | H14 | 119.5° | 119.6° |
| C15 | C19 | C25 | C24 | 79.6° | 65.0° |
| C19 | C15 | C16 | H9 | 130.5° | 55.1° |
| C15 | C19 | C20 | H15 | 175.7° | 170.4° |
| C15 | C19 | C25 | H24 | 159.4° | 174.8° |
| C15 | C19 | C25 | H25 | 41.3° | 55.4° |
| C02 | C03 | C20 | C21 | 115.0° | 80.6° |
| C02 | C03 | C20 | C19 | 124.9° | 160.1° |
| C02 | C03 | C20 | H15 | 7.3° | 40.1° |
| C03 | C02 | N13 | H26 | 178.5° | 179.6° |
| C03 | C20 | C21 | C19 | 117.3° | 118.5° |
| C03 | C20 | C21 | H15 | 123.6° | 120.2° |
| C03 | C20 | C21 | C23 | 179.6° | 175.9° |
| C20 | C03 | C02 | O01 | 1.1° | 0.3° |
| C03 | C20 | C19 | H15 | 119.4° | 120.0° |
| C03 | C20 | C19 | C25 | 175.6° | 173.4° |
| C03 | C20 | C19 | H14 | 62.1° | 67.2° |
| C03 | C20 | C21 | H16 | 63.2° | 55.8° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C17 | C16 | C15 | H8 | 167.8° | 114.3° |
| C16 | C17 | C18 | H11 | 180.0° | 60.0° |
| C16 | C17 | C18 | H12 | 60.0° | 60.0° |
| C16 | C17 | C18 | H13 | 60.0° | 180.0° |
| C20 | C21 | C23 | H16 | 117.2° | 120.1° |
| C21 | C20 | C19 | H15 | 119.4° | 121.9° |
| C20 | C21 | C23 | C24 | 44.9° | 61.1° |
| C21 | C20 | C19 | C25 | 63.2° | 55.2° |
| C21 | C20 | C19 | H14 | 176.7° | 174.6° |
| C20 | C21 | C22 | H17 | 180.0° | 60.0° |
| C20 | C21 | C22 | H18 | 60.0° | 180.0° |
| C20 | C21 | C22 | H19 | 60.0° | 60.0° |
| C20 | C21 | C23 | H20 | 165.5° | 178.9° |
| C20 | C21 | C23 | H21 | 75.7° | 58.8° |
| C23 | C21 | C20 | C19 | 63.1° | 57.4° |
| C21 | C23 | C24 | H20 | 120.6° | 119.9° |
| C21 | C23 | C24 | H21 | 120.6° | 119.9° |
| C21 | C23 | C24 | C25 | 30.3° | 61.6° |
| C23 | C21 | C20 | H15 | 56.0° | 64.0° |
| C23 | C21 | C22 | H17 | 55.2° | 60.6° |
| C23 | C21 | C22 | H18 | 175.2° | 59.4° |
| C23 | C21 | C22 | H19 | 64.8° | 179.4° |
| C21 | C23 | H20 | H21 | 118.1° | 120.1° |
| C21 | C23 | C24 | H22 | 91.0° | 58.2° |
| C21 | C23 | C24 | H23 | 151.6° | 178.5° |
| C18 | C17 | C16 | H9 | 0.2° | 0.1° |
| C17 | C18 | H11 | H12 | 120.0° | 120.0° |
| C17 | C18 | H11 | H13 | 120.0° | 120.0° |
| C17 | C18 | H12 | H13 | 120.0° | 120.0° |
| O01 | C02 | N13 | H26 | 1.2° | 0.2° |
| C20 | C19 | C25 | H14 | 113.2° | 118.9° |
| C20 | C19 | C25 | C24 | 47.7° | 56.6° |
| C20 | C19 | C15 | H8 | 113.5° | 55.0° |
| C19 | C20 | C21 | H16 | 54.1° | 62.7° |
| C20 | C19 | C25 | H24 | 73.3° | 63.7° |
| C20 | C19 | C25 | H25 | 168.6° | 177.0° |
| C23 | C24 | C25 | C19 | 32.9° | 59.3° |
| C23 | C24 | C25 | H22 | 121.3° | 119.8° |
| C23 | C24 | C25 | H23 | 121.3° | 119.8° |
| C24 | C23 | C21 | H16 | 72.3° | 59.0° |
| C24 | C23 | H20 | H21 | 118.2° | 120.3° |
| C23 | C24 | H22 | H23 | 116.0° | 120.3° |
| C23 | C24 | C25 | H24 | 88.1° | 61.0° |
| C23 | C24 | C25 | H25 | 153.8° | 179.7° |
| C19 | C25 | C24 | H24 | 120.9° | 120.3° |
| C19 | C25 | C24 | H25 | 120.9° | 120.4° |
| C25 | C19 | C15 | H8 | 11.5° | 68.3° |
| C25 | C19 | C20 | H15 | 56.2° | 66.6° |
| C19 | C25 | C24 | H22 | 88.4° | 60.5° |
| C19 | C25 | C24 | H23 | 154.1° | 179.2° |
| C19 | C25 | H24 | H25 | 117.1° | 119.5° |
| C24 | C25 | C19 | H14 | 160.9° | 175.5° |
| C25 | C24 | C23 | H20 | 150.9° | 178.5° |
| C25 | C24 | C23 | H21 | 90.3° | 58.3° |
| C25 | C24 | H22 | H23 | 116.0° | 120.3° |
| C24 | C25 | H24 | H25 | 117.1° | 119.5° |
| H2 | C07 | C08 | H3 | 1.7° | 0.0° |
| H3 | C08 | C09 | H4 | 0.1° | 0.2° |
| H4 | C09 | C10 | H5 | 0.2° | 0.3° |
| H5 | C10 | C11 | H6 | 1.1° | 0.3° |
| H7 | C12 | N13 | H26 | 2.7° | 0.1° |
| H8 | C15 | C16 | H9 | 12.2° | 65.6° |
| H8 | C15 | C19 | H14 | 129.7° | 172.1° |
| H9 | C16 | C17 | H10 | 179.8° | 180.0° |
| H10 | C17 | C18 | H11 | 0.0° | 120.0° |
| H10 | C17 | C18 | H12 | 120.0° | 120.0° |
| H10 | C17 | C18 | H13 | 120.0° | 0.0° |
| H11 | C18 | H12 | H13 | 120.0° | 120.0° |
| H14 | C19 | C20 | H15 | 57.3° | 52.8° |
| H14 | C19 | C25 | H24 | 40.0° | 55.2° |
| H14 | C19 | C25 | H25 | 78.2° | 64.2° |
| H15 | C20 | C21 | H16 | 173.2° | 175.9° |
| H16 | C21 | C22 | H17 | 62.0° | 179.7° |
| H16 | C21 | C22 | H18 | 57.9° | 60.3° |
| H16 | C21 | C22 | H19 | 177.9° | 59.7° |
| H16 | C21 | C23 | H20 | 48.3° | 61.0° |
| H16 | C21 | C23 | H21 | 167.1° | 178.9° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C23 | C24 | H22 | 29.6° | 61.7° |
| H20 | C23 | C24 | H23 | 87.8° | 58.7° |
| H21 | C23 | C24 | H22 | 148.4° | 178.1° |
| H21 | C23 | C24 | H23 | 30.9° | 61.6° |
| H22 | C24 | C25 | H24 | 150.7° | 179.2° |
| H22 | C24 | C25 | H25 | 32.5° | 59.9° |
| H23 | C24 | C25 | H24 | 33.2° | 58.9° |
| H23 | C24 | C25 | H25 | 84.9° | 60.5° |
