B6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| F15 | C14 | sing | 1.35Å | 1.32Å | |
| O6 | C5 | doub | 1.22Å | 1.22Å | |
| C1 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C16 | sing | 1.48Å | 1.45Å | |
| C20 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | C31 | doub | 1.41Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | N26 | sing | 1.40Å | 1.44Å | |
| C5 | C7 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | N26 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| N26 | C28 | sing | 1.46Å | 1.46Å | |
| C31 | C29 | sing | 1.48Å | 1.48Å | |
| C17 | F18 | sing | 1.35Å | 1.33Å | |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.40Å | |
| C7 | N11 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| N11 | N10 | sing | 1.29Å | 1.39Å | Aromatic |
| C29 | C8 | sing | 1.47Å | 1.44Å | |
| C29 | O30 | doub | 1.22Å | 1.22Å | |
| C8 | N9 | sing | 1.34Å | 1.41Å | Aromatic |
| N10 | N9 | doub | 1.29Å | 1.28Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C1 | H011 | sing | 1.08Å | 1.08Å | |
| C2 | H021 | sing | 1.08Å | 1.08Å | |
| C3 | H031 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 121.6° | 120.2° |
| C22 | C21 | C20 | 120.4° | 120.0° |
| C22 | C21 | H211 | 119.8° | 120.0° |
| C21 | C22 | H221 | 119.2° | 119.9° |
| C22 | C23 | C24 | 119.3° | 120.2° |
| C23 | C22 | H221 | 119.2° | 119.9° |
| C22 | C23 | H231 | 120.4° | 119.9° |
| C21 | C20 | C16 | 120.1° | 120.1° |
| C21 | C20 | C25 | 118.3° | 119.9° |
| C20 | C21 | H211 | 119.8° | 119.9° |
| C3 | C2 | C1 | 120.1° | 120.4° |
| C2 | C3 | C4 | 120.4° | 119.9° |
| C3 | C2 | H021 | 119.9° | 119.8° |
| C2 | C3 | H031 | 119.8° | 120.1° |
| C2 | C1 | C32 | 120.1° | 120.4° |
| C2 | C1 | H011 | 120.0° | 119.8° |
| C1 | C2 | H021 | 119.9° | 119.8° |
| C23 | C24 | C25 | 118.5° | 120.0° |
| C23 | C24 | N26 | 122.3° | 120.0° |
| C24 | C23 | H231 | 120.3° | 119.9° |
| C3 | C4 | C5 | 117.1° | 120.5° |
| C3 | C4 | C31 | 119.8° | 119.7° |
| C4 | C3 | H031 | 119.8° | 120.0° |
| F15 | C14 | C16 | 118.3° | 120.1° |
| F15 | C14 | C13 | 118.7° | 120.0° |
| O6 | C5 | C4 | 122.5° | 120.1° |
| O6 | C5 | C7 | 121.9° | 120.1° |
| C1 | C32 | C31 | 120.4° | 119.9° |
| C32 | C1 | H011 | 120.0° | 119.8° |
| C1 | C32 | H321 | 119.8° | 120.1° |
| C16 | C20 | C25 | 121.6° | 120.0° |
| C20 | C16 | C14 | 124.8° | 120.0° |
| C20 | C16 | C17 | 121.0° | 120.1° |
| C20 | C25 | C24 | 121.9° | 119.7° |
| C20 | C25 | H251 | 119.0° | 120.2° |
| C16 | C14 | C13 | 123.0° | 119.9° |
| C14 | C16 | C17 | 114.1° | 119.9° |
| C14 | C13 | C12 | 119.8° | 120.0° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C5 | C4 | C31 | 123.1° | 119.8° |
| C4 | C5 | C7 | 115.6° | 119.8° |
| C4 | C31 | C32 | 119.2° | 119.7° |
| C4 | C31 | C29 | 120.7° | 119.8° |
| C25 | C24 | N26 | 119.2° | 120.0° |
| C24 | C25 | H251 | 119.0° | 120.1° |
| C24 | N26 | C27 | 121.0° | 120.0° |
| C24 | N26 | C28 | 122.3° | 120.0° |
| C5 | C7 | N11 | 133.1° | 133.9° |
| C5 | C7 | C8 | 120.8° | 120.5° |
| C16 | C17 | F18 | 118.2° | 120.1° |
| C16 | C17 | C19 | 125.0° | 119.9° |
| C27 | N26 | C28 | 116.6° | 120.0° |
| N26 | C27 | H271 | 109.5° | 109.4° |
| N26 | C27 | H272 | 109.4° | 109.5° |
| N26 | C27 | H273 | 109.5° | 109.5° |
| C13 | C12 | C19 | 119.0° | 120.1° |
| C13 | C12 | N11 | 120.7° | 119.9° |
| C12 | C13 | H131 | 120.1° | 120.0° |
| C32 | C31 | C29 | 120.1° | 120.5° |
| C31 | C32 | H321 | 119.8° | 120.1° |
| N26 | C28 | H283 | 109.5° | 109.5° |
| N26 | C28 | H281 | 109.5° | 109.5° |
| N26 | C28 | H282 | 109.4° | 109.5° |
| C31 | C29 | C8 | 115.0° | 119.8° |
| C31 | C29 | O30 | 122.1° | 120.1° |
| F18 | C17 | C19 | 116.8° | 120.0° |
| C17 | C19 | C12 | 119.0° | 120.1° |
| C17 | C19 | H191 | 120.5° | 120.0° |
| C19 | C12 | N11 | 120.3° | 119.9° |
| C12 | C19 | H191 | 120.5° | 119.9° |
| C12 | N11 | C7 | 129.8° | 125.9° |
| C12 | N11 | N10 | 122.6° | 126.0° |
| N11 | C7 | C8 | 106.1° | 105.6° |
| C7 | N11 | N10 | 107.6° | 108.1° |
| C7 | C8 | C29 | 124.7° | 120.3° |
| C7 | C8 | N9 | 107.4° | 105.9° |
| N11 | N10 | N9 | 110.4° | 111.3° |
| C8 | C29 | O30 | 122.9° | 120.1° |
| C29 | C8 | N9 | 127.8° | 133.8° |
| C8 | N9 | N10 | 108.5° | 109.1° |
| H283 | C28 | H281 | 109.5° | 109.4° |
| H283 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.7° | 0.1° |
| C22 | C21 | C20 | C16 | 179.0° | 180.0° |
| C22 | C21 | C20 | C25 | 0.6° | 0.3° |
| C21 | C22 | C23 | H231 | 179.3° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.1° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.8° | 0.3° |
| C22 | C23 | C24 | N26 | 179.5° | 179.7° |
| C23 | C22 | C21 | H211 | 179.4° | 180.0° |
| C21 | C20 | C16 | C25 | 178.3° | 179.7° |
| C21 | C20 | C16 | C14 | 55.7° | 65.3° |
| C21 | C20 | C25 | C24 | 0.8° | 0.5° |
| C21 | C20 | C16 | C17 | 124.8° | 114.6° |
| C20 | C21 | C22 | H221 | 179.4° | 180.0° |
| C21 | C20 | C25 | H251 | 179.3° | 179.7° |
| C3 | C2 | C1 | H021 | 180.0° | 179.9° |
| C2 | C3 | C4 | H031 | 180.0° | 179.9° |
| C3 | C2 | C1 | C32 | 1.0° | 0.0° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C4 | C31 | 0.0° | 0.0° |
| C3 | C2 | C1 | H011 | 179.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C2 | C1 | C32 | H011 | 180.0° | 179.8° |
| C2 | C1 | C32 | C31 | 0.7° | 0.0° |
| C1 | C2 | C3 | H031 | 179.3° | 179.9° |
| C2 | C1 | C32 | H321 | 179.3° | 179.8° |
| C23 | C24 | C25 | C20 | 0.8° | 0.5° |
| C23 | C24 | C25 | N26 | 178.7° | 179.4° |
| C23 | C24 | N26 | C27 | 5.1° | 5.1° |
| C23 | C24 | N26 | C28 | 177.3° | 174.8° |
| C24 | C23 | C22 | H221 | 179.3° | 180.0° |
| C23 | C24 | C25 | H251 | 179.2° | 179.7° |
| C3 | C4 | C5 | O6 | 0.9° | 0.0° |
| C3 | C4 | C5 | C31 | 179.3° | 180.0° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C31 | C32 | 0.3° | 0.0° |
| C3 | C4 | C31 | C29 | 179.7° | 179.9° |
| C4 | C3 | C2 | H021 | 179.4° | 180.0° |
| F15 | C14 | C16 | C20 | 0.7° | 0.1° |
| F15 | C14 | C16 | C13 | 179.5° | 180.0° |
| F15 | C14 | C16 | C17 | 179.7° | 180.0° |
| F15 | C14 | C13 | C12 | 179.3° | 180.0° |
| F15 | C14 | C13 | H131 | 0.7° | 0.4° |
| O6 | C5 | C4 | C7 | 178.9° | 180.0° |
| O6 | C5 | C4 | C31 | 179.9° | 180.0° |
| O6 | C5 | C7 | N11 | 1.0° | 0.1° |
| O6 | C5 | C7 | C8 | 179.9° | 180.0° |
| C1 | C32 | C31 | C4 | 0.1° | 0.0° |
| C1 | C32 | C31 | H321 | 180.0° | 179.8° |
| C1 | C32 | C31 | C29 | 179.9° | 179.9° |
| C32 | C1 | C2 | H021 | 179.0° | 179.9° |
| C20 | C16 | C14 | C17 | 179.6° | 179.9° |
| C20 | C16 | C14 | C13 | 179.8° | 180.0° |
| C16 | C20 | C25 | C24 | 179.1° | 179.8° |
| C20 | C16 | C17 | F18 | 0.3° | 0.4° |
| C20 | C16 | C17 | C19 | 179.5° | 179.7° |
| C16 | C20 | C21 | H211 | 1.0° | 0.1° |
| C16 | C20 | C25 | H251 | 0.9° | 0.0° |
| C25 | C20 | C16 | C14 | 126.0° | 115.0° |
| C20 | C25 | C24 | H251 | 180.0° | 179.8° |
| C20 | C25 | C24 | N26 | 179.5° | 179.9° |
| C25 | C20 | C16 | C17 | 53.5° | 65.0° |
| C25 | C20 | C21 | H211 | 179.4° | 179.7° |
| C16 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C16 | C17 | F18 | 179.9° | 179.7° |
| C14 | C16 | C17 | C19 | 0.1° | 0.3° |
| C16 | C14 | C13 | H131 | 179.9° | 179.7° |
| C13 | C14 | C16 | C17 | 0.2° | 0.1° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C14 | C13 | C12 | C19 | 0.8° | 0.3° |
| C14 | C13 | C12 | N11 | 178.9° | 179.7° |
| C5 | C4 | C31 | C32 | 179.5° | 180.0° |
| C5 | C4 | C31 | C29 | 0.5° | 0.1° |
| C4 | C5 | C7 | N11 | 179.9° | 179.9° |
| C4 | C5 | C7 | C8 | 1.0° | 0.0° |
| C5 | C4 | C3 | H031 | 0.7° | 0.1° |
| C31 | C4 | C5 | C7 | 0.9° | 0.0° |
| C4 | C31 | C32 | C29 | 180.0° | 179.9° |
| C4 | C31 | C29 | C8 | 0.0° | 0.1° |
| C4 | C31 | C29 | O30 | 179.8° | 180.0° |
| C31 | C4 | C3 | H031 | 180.0° | 179.9° |
| C4 | C31 | C32 | H321 | 179.9° | 179.7° |
| C25 | C24 | N26 | C27 | 173.6° | 174.3° |
| C25 | C24 | N26 | C28 | 4.1° | 5.7° |
| C25 | C24 | C23 | H231 | 179.2° | 179.8° |
| C24 | N26 | C27 | C28 | 177.8° | 180.0° |
| C24 | N26 | C28 | H283 | 180.0° | 90.0° |
| C24 | N26 | C28 | H281 | 60.0° | 150.0° |
| C24 | N26 | C28 | H282 | 60.0° | 29.9° |
| N26 | C24 | C23 | H231 | 0.5° | 0.3° |
| N26 | C24 | C25 | H251 | 0.5° | 0.3° |
| C24 | N26 | C27 | H271 | 180.0° | 5.1° |
| C24 | N26 | C27 | H272 | 60.0° | 125.0° |
| C24 | N26 | C27 | H273 | 60.0° | 114.9° |
| C5 | C7 | N11 | C12 | 1.0° | 0.1° |
| C5 | C7 | N11 | C8 | 179.2° | 179.9° |
| C5 | C7 | N11 | N10 | 179.7° | 179.9° |
| C5 | C7 | C8 | C29 | 0.6° | 0.1° |
| C5 | C7 | C8 | N9 | 179.6° | 179.9° |
| C16 | C17 | F18 | C19 | 179.9° | 179.3° |
| C16 | C17 | C19 | C12 | 0.7° | 0.6° |
| C16 | C17 | C19 | H191 | 179.3° | 180.0° |
| C27 | N26 | C28 | H283 | 2.2° | 90.0° |
| C27 | N26 | C28 | H281 | 117.8° | 30.0° |
| C27 | N26 | C28 | H282 | 122.2° | 150.0° |
| N26 | C27 | H271 | H272 | 120.0° | 119.9° |
| N26 | C27 | H271 | H273 | 120.0° | 120.0° |
| N26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C13 | C12 | C19 | C17 | 1.1° | 0.6° |
| C13 | C12 | C19 | N11 | 178.1° | 180.0° |
| C13 | C12 | N11 | C7 | 57.2° | 145.0° |
| C13 | C12 | N11 | N10 | 122.0° | 35.0° |
| C13 | C12 | C19 | H191 | 179.0° | 180.0° |
| C32 | C31 | C29 | C8 | 180.0° | 180.0° |
| C32 | C31 | C29 | O30 | 0.2° | 0.1° |
| C31 | C32 | C1 | H011 | 179.3° | 179.8° |
| N26 | C28 | H283 | H281 | 120.0° | 120.1° |
| N26 | C28 | H283 | H282 | 120.0° | 120.0° |
| N26 | C28 | H281 | H282 | 120.0° | 120.0° |
| C28 | N26 | C27 | H271 | 2.2° | 174.9° |
| C28 | N26 | C27 | H272 | 122.2° | 54.9° |
| C28 | N26 | C27 | H273 | 117.8° | 65.1° |
| C31 | C29 | C8 | C7 | 0.1° | 0.1° |
| C31 | C29 | C8 | O30 | 179.8° | 179.9° |
| C31 | C29 | C8 | N9 | 179.9° | 179.9° |
| C29 | C31 | C32 | H321 | 0.1° | 0.2° |
| F18 | C17 | C19 | C12 | 179.4° | 179.9° |
| F18 | C17 | C19 | H191 | 0.6° | 0.7° |
| C17 | C19 | C12 | H191 | 180.0° | 179.4° |
| C17 | C19 | C12 | N11 | 179.1° | 179.4° |
| C19 | C12 | N11 | C7 | 124.8° | 35.0° |
| C19 | C12 | N11 | N10 | 56.1° | 145.0° |
| C19 | C12 | C13 | H131 | 179.2° | 180.0° |
| C12 | N11 | C7 | N10 | 179.2° | 180.0° |
| C12 | N11 | C7 | C8 | 179.8° | 180.0° |
| C12 | N11 | N10 | N9 | 180.0° | 180.0° |
| N11 | C12 | C13 | H131 | 1.2° | 0.1° |
| N11 | C12 | C19 | H191 | 0.9° | 0.0° |
| N11 | C7 | C8 | C29 | 179.9° | 180.0° |
| N11 | C7 | C8 | N9 | 0.2° | 0.0° |
| C7 | N11 | N10 | N9 | 0.6° | 0.0° |
| C8 | C7 | N11 | N10 | 0.5° | 0.0° |
| C7 | C8 | C29 | N9 | 179.8° | 179.9° |
| C7 | C8 | C29 | O30 | 179.9° | 180.0° |
| C7 | C8 | N9 | N10 | 0.1° | 0.0° |
| N11 | N10 | N9 | C8 | 0.5° | 0.0° |
| C29 | C8 | N9 | N10 | 179.7° | 180.0° |
| O30 | C29 | C8 | N9 | 0.3° | 0.0° |
| H211 | C21 | C22 | H221 | 0.6° | 0.0° |
| H221 | C22 | C23 | H231 | 0.7° | 0.0° |
| H283 | C28 | H281 | H282 | 120.0° | 119.9° |
| H011 | C1 | C2 | H021 | 1.0° | 0.3° |
| H011 | C1 | C32 | H321 | 0.7° | 0.0° |
| H021 | C2 | C3 | H031 | 0.6° | 0.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
