0B7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | C06 | sing | 1.48Å | 1.52Å | |
| N03 | C02 | doub | 1.31Å | 1.26Å | |
| C05 | C06 | sing | 1.39Å | 1.51Å | Aromatic |
| C05 | C04 | doub | 1.35Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.35Å | 1.45Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.51Å | |
| C02 | N01 | sing | 1.38Å | 1.42Å | |
| C04 | S21 | sing | 1.76Å | 1.63Å | Aromatic |
| C07 | S21 | sing | 1.71Å | 1.63Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| O11 | C10 | doub | 1.22Å | 1.18Å | |
| N09 | C08 | sing | 1.46Å | 1.41Å | |
| N09 | C10 | sing | 1.35Å | 1.44Å | |
| C10 | C12 | sing | 1.48Å | 1.55Å | |
| C20 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.36Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.46Å | 1.41Å | Aromatic |
| C14 | N18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.34Å | 1.38Å | Aromatic |
| N18 | C17 | sing | 1.37Å | 1.34Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 119.0° | 120.1° |
| C24 | C25 | C26 | 120.3° | 120.3° |
| C25 | C24 | H241 | 120.5° | 120.0° |
| C24 | C25 | H251 | 119.9° | 119.9° |
| C24 | C23 | C22 | 120.4° | 119.9° |
| C24 | C23 | H231 | 119.8° | 120.1° |
| C23 | C24 | H241 | 120.5° | 119.9° |
| C25 | C26 | C27 | 120.2° | 120.1° |
| C26 | C25 | H251 | 119.9° | 119.8° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| C23 | C22 | C27 | 120.1° | 119.7° |
| C23 | C22 | C06 | 117.6° | 120.1° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C26 | C27 | C22 | 120.0° | 119.9° |
| C27 | C26 | H261 | 119.9° | 119.9° |
| C26 | C27 | H271 | 120.0° | 120.0° |
| C27 | C22 | C06 | 122.3° | 120.2° |
| C22 | C27 | H271 | 120.0° | 120.1° |
| C22 | C06 | C05 | 118.7° | 122.7° |
| C22 | C06 | C07 | 131.6° | 122.7° |
| N03 | C02 | C04 | 120.4° | 119.9° |
| N03 | C02 | N01 | 122.2° | 120.0° |
| C02 | N03 | H031 | 112.0° | 120.0° |
| C06 | C05 | C04 | 109.2° | 113.5° |
| C05 | C06 | C07 | 109.7° | 114.5° |
| C06 | C05 | H051 | 125.4° | 123.2° |
| C05 | C04 | C02 | 121.9° | 125.3° |
| C05 | C04 | S21 | 112.3° | 109.5° |
| C04 | C05 | H051 | 125.4° | 123.2° |
| C06 | C07 | S21 | 110.6° | 110.7° |
| C06 | C07 | C08 | 128.6° | 124.7° |
| C04 | C02 | N01 | 117.3° | 120.1° |
| C02 | C04 | S21 | 125.8° | 125.2° |
| C02 | N01 | H011 | 120.0° | 119.9° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C04 | S21 | C07 | 98.0° | 91.7° |
| S21 | C07 | C08 | 120.7° | 124.7° |
| C07 | C08 | N09 | 97.7° | 109.5° |
| C07 | C08 | H082 | 112.3° | 109.4° |
| C07 | C08 | H081 | 112.3° | 109.4° |
| O11 | C10 | N09 | 107.0° | 120.0° |
| O11 | C10 | C12 | 113.9° | 120.0° |
| C08 | N09 | C10 | 130.3° | 120.0° |
| N09 | C08 | H082 | 112.3° | 109.5° |
| N09 | C08 | H081 | 112.3° | 109.5° |
| C08 | N09 | H091 | 114.9° | 120.0° |
| N09 | C10 | C12 | 139.0° | 120.0° |
| C10 | N09 | H091 | 114.9° | 120.0° |
| C10 | C12 | C20 | 108.2° | 119.9° |
| C10 | C12 | C13 | 133.4° | 119.8° |
| C12 | C20 | C19 | 122.4° | 120.4° |
| C20 | C12 | C13 | 118.4° | 120.3° |
| C12 | C20 | H201 | 118.8° | 119.8° |
| C20 | C19 | C15 | 119.8° | 120.0° |
| C20 | C19 | H191 | 120.1° | 120.0° |
| C19 | C20 | H201 | 118.8° | 119.8° |
| C12 | C13 | C14 | 119.3° | 119.7° |
| C12 | C13 | H131 | 120.3° | 120.2° |
| C19 | C15 | C14 | 119.8° | 120.1° |
| C19 | C15 | C16 | 132.2° | 133.9° |
| C15 | C19 | H191 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.2° | 119.5° |
| C13 | C14 | N18 | 133.7° | 133.4° |
| C14 | C13 | H131 | 120.3° | 120.1° |
| C14 | C15 | C16 | 108.0° | 106.0° |
| C15 | C14 | N18 | 106.0° | 107.1° |
| C15 | C16 | C17 | 107.0° | 107.1° |
| C15 | C16 | H161 | 126.5° | 126.4° |
| C14 | N18 | C17 | 111.2° | 109.9° |
| C14 | N18 | H181 | 124.4° | 125.1° |
| C16 | C17 | N18 | 107.7° | 109.9° |
| C17 | C16 | H161 | 126.5° | 126.5° |
| C16 | C17 | H171 | 126.1° | 125.0° |
| N18 | C17 | H171 | 126.1° | 125.1° |
| C17 | N18 | H181 | 124.4° | 125.0° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H011 | N01 | H012 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C23 | H231 | 179.9° | 180.0° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.5° | 0.0° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 1.0° | 0.0° |
| C24 | C23 | C22 | C06 | 179.9° | 179.7° |
| C23 | C24 | C25 | H251 | 179.5° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.9° | 0.0° |
| C26 | C25 | C24 | H241 | 179.5° | 179.9° |
| C25 | C26 | C27 | H271 | 179.2° | 179.7° |
| C23 | C22 | C27 | C26 | 1.4° | 0.0° |
| C23 | C22 | C27 | C06 | 178.8° | 179.7° |
| C23 | C22 | C06 | C05 | 33.2° | 130.3° |
| C23 | C22 | C06 | C07 | 146.7° | 49.7° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C22 | C27 | H271 | 178.6° | 179.7° |
| C26 | C27 | C22 | H271 | 180.0° | 179.7° |
| C26 | C27 | C22 | C06 | 179.8° | 179.8° |
| C27 | C26 | C25 | H251 | 179.9° | 180.0° |
| C27 | C22 | C06 | C05 | 145.7° | 50.0° |
| C27 | C22 | C06 | C07 | 34.5° | 130.0° |
| C27 | C22 | C23 | H231 | 179.0° | 180.0° |
| C22 | C27 | C26 | H261 | 179.1° | 180.0° |
| C22 | C06 | C05 | C07 | 179.9° | 179.9° |
| C22 | C06 | C05 | C04 | 179.3° | 180.0° |
| C22 | C06 | C07 | S21 | 176.7° | 179.8° |
| C22 | C06 | C07 | C08 | 0.6° | 0.1° |
| C22 | C06 | C05 | H051 | 0.7° | 0.0° |
| C06 | C22 | C23 | H231 | 0.1° | 0.3° |
| C06 | C22 | C27 | H271 | 0.2° | 0.0° |
| N03 | C02 | C04 | C05 | 0.2° | 0.0° |
| N03 | C02 | C04 | N01 | 178.1° | 179.7° |
| N03 | C02 | C04 | S21 | 177.7° | 179.7° |
| N03 | C02 | N01 | H011 | 178.1° | 179.7° |
| N03 | C02 | N01 | H012 | 1.9° | 0.3° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.4° | 180.0° |
| C06 | C05 | C04 | S21 | 2.4° | 0.2° |
| C05 | C06 | C07 | S21 | 3.1° | 0.3° |
| C05 | C06 | C07 | C08 | 179.2° | 180.0° |
| C04 | C05 | C06 | C07 | 0.5° | 0.0° |
| C05 | C04 | C02 | S21 | 178.0° | 179.7° |
| C05 | C04 | C02 | N01 | 177.9° | 179.7° |
| C05 | C04 | S21 | C07 | 3.9° | 0.3° |
| C06 | C07 | S21 | C04 | 4.1° | 0.4° |
| C06 | C07 | S21 | C08 | 176.4° | 179.7° |
| C06 | C07 | C08 | N09 | 94.2° | 90.0° |
| C07 | C06 | C05 | H051 | 179.5° | 180.0° |
| C06 | C07 | C08 | H082 | 147.8° | 150.0° |
| C06 | C07 | C08 | H081 | 23.9° | 30.1° |
| C02 | C04 | S21 | C07 | 178.0° | 179.9° |
| C02 | C04 | C05 | H051 | 0.6° | 0.0° |
| C04 | C02 | N01 | H011 | 0.0° | 0.0° |
| C04 | C02 | N03 | H031 | 178.0° | 179.9° |
| C04 | C02 | N01 | H012 | 180.0° | 180.0° |
| N01 | C02 | C04 | S21 | 4.2° | 0.0° |
| C02 | N01 | H011 | H012 | 180.0° | 180.0° |
| N01 | C02 | N03 | H031 | 0.0° | 0.3° |
| C04 | S21 | C07 | C08 | 179.5° | 179.9° |
| S21 | C04 | C05 | H051 | 177.6° | 179.8° |
| S21 | C07 | C08 | N09 | 81.6° | 89.7° |
| S21 | C07 | C08 | H082 | 36.5° | 30.3° |
| S21 | C07 | C08 | H081 | 160.4° | 150.3° |
| C07 | C08 | N09 | H082 | 118.0° | 120.0° |
| C07 | C08 | N09 | H081 | 118.0° | 120.0° |
| C07 | C08 | N09 | C10 | 99.7° | 180.0° |
| C07 | C08 | H082 | H081 | 125.5° | 119.9° |
| C07 | C08 | N09 | H091 | 80.3° | 0.1° |
| O11 | C10 | N09 | C08 | 177.2° | 0.0° |
| O11 | C10 | N09 | C12 | 176.1° | 180.0° |
| O11 | C10 | C12 | C20 | 6.3° | 179.7° |
| O11 | C10 | C12 | C13 | 176.6° | 0.1° |
| O11 | C10 | N09 | H091 | 2.8° | 179.9° |
| C08 | N09 | C10 | H091 | 180.0° | 179.9° |
| C08 | N09 | C10 | C12 | 6.8° | 180.0° |
| N09 | C08 | H082 | H081 | 125.5° | 120.1° |
| N09 | C10 | C12 | C20 | 169.6° | 0.3° |
| N09 | C10 | C12 | C13 | 7.5° | 179.9° |
| C10 | N09 | C08 | H082 | 18.3° | 60.0° |
| C10 | N09 | C08 | H081 | 142.3° | 60.1° |
| C10 | C12 | C20 | C13 | 177.6° | 179.6° |
| C10 | C12 | C20 | C19 | 179.5° | 179.7° |
| C10 | C12 | C13 | C14 | 178.8° | 180.0° |
| C10 | C12 | C13 | H131 | 1.2° | 0.1° |
| C10 | C12 | C20 | H201 | 0.5° | 0.1° |
| C12 | C10 | N09 | H091 | 173.2° | 0.1° |
| C12 | C20 | C19 | H201 | 180.0° | 179.7° |
| C12 | C20 | C19 | C15 | 0.8° | 0.6° |
| C20 | C12 | C13 | C14 | 1.9° | 0.4° |
| C20 | C12 | C13 | H131 | 178.1° | 179.7° |
| C12 | C20 | C19 | H191 | 179.2° | 179.7° |
| C19 | C20 | C12 | C13 | 1.8° | 0.6° |
| C20 | C19 | C15 | H191 | 180.0° | 179.7° |
| C20 | C19 | C15 | C14 | 0.2° | 0.2° |
| C20 | C19 | C15 | C16 | 179.8° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C12 | C13 | C14 | N18 | 179.3° | 180.0° |
| C13 | C12 | C20 | H201 | 178.2° | 179.7° |
| C19 | C15 | C14 | C13 | 0.1° | 0.0° |
| C19 | C15 | C14 | C16 | 179.7° | 179.9° |
| C19 | C15 | C14 | N18 | 179.7° | 180.0° |
| C19 | C15 | C16 | C17 | 179.7° | 179.9° |
| C19 | C15 | C16 | H161 | 0.3° | 0.0° |
| C15 | C19 | C20 | H201 | 179.2° | 179.8° |
| C13 | C14 | C15 | N18 | 179.8° | 180.0° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | N18 | C17 | 179.8° | 180.0° |
| C13 | C14 | N18 | H181 | 0.2° | 0.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | N18 | C17 | 0.0° | 0.0° |
| C15 | C14 | C13 | H131 | 179.1° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 179.9° |
| C14 | C15 | C19 | H191 | 179.8° | 180.0° |
| C15 | C14 | N18 | H181 | 180.0° | 180.0° |
| C16 | C15 | C14 | N18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | N18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C19 | H191 | 0.3° | 0.0° |
| C14 | N18 | C17 | C16 | 0.1° | 0.0° |
| C14 | N18 | C17 | H181 | 180.0° | 179.9° |
| N18 | C14 | C13 | H131 | 0.7° | 0.1° |
| C14 | N18 | C17 | H171 | 179.9° | 180.0° |
| C16 | C17 | N18 | H171 | 180.0° | 180.0° |
| C16 | C17 | N18 | H181 | 179.9° | 180.0° |
| N18 | C17 | C16 | H161 | 179.9° | 180.0° |
| H082 | C08 | N09 | H091 | 161.7° | 119.9° |
| H081 | C08 | N09 | H091 | 37.7° | 120.0° |
| H161 | C16 | C17 | H171 | 0.1° | 0.0° |
| H171 | C17 | N18 | H181 | 0.1° | 0.0° |
| H191 | C19 | C20 | H201 | 0.8° | 0.0° |
| H231 | C23 | C24 | H241 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.5° | 0.1° |
| H251 | C25 | C26 | H261 | 0.1° | 0.0° |
| H261 | C26 | C27 | H271 | 0.8° | 0.3° |
