0GD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C04 | sing | 1.51Å | 1.39Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | N07 | sing | 1.39Å | 1.34Å | |
| C02 | N01 | sing | 1.32Å | 1.36Å | Aromatic |
| N01 | C06 | doub | 1.33Å | 1.35Å | Aromatic |
| C06 | C09 | sing | 1.48Å | 1.40Å | |
| C09 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.41Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | F25 | sing | 1.35Å | 1.40Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N07 | H072 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N16 | H16 | sing | 1.01Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C04 | C05 | 119.8° | 120.7° |
| C08 | C04 | C03 | 120.7° | 120.7° |
| C04 | C08 | H081 | 109.5° | 109.5° |
| C04 | C08 | H082 | 109.5° | 109.4° |
| C04 | C08 | H083 | 109.5° | 109.4° |
| C05 | C04 | C03 | 119.5° | 118.6° |
| C04 | C05 | C06 | 120.7° | 119.2° |
| C04 | C05 | H05 | 119.7° | 120.3° |
| C04 | C03 | C02 | 118.0° | 119.3° |
| C04 | C03 | H03 | 121.0° | 120.3° |
| C05 | C06 | N01 | 118.7° | 120.6° |
| C05 | C06 | C09 | 117.8° | 119.7° |
| C06 | C05 | H05 | 119.7° | 120.4° |
| C03 | C02 | N07 | 118.5° | 119.7° |
| C03 | C02 | N01 | 121.1° | 120.7° |
| C02 | C03 | H03 | 121.0° | 120.3° |
| N07 | C02 | N01 | 120.4° | 119.6° |
| C02 | N07 | H071 | 109.5° | 119.9° |
| C02 | N07 | H072 | 109.5° | 120.0° |
| C02 | N01 | C06 | 121.5° | 121.5° |
| N01 | C06 | C09 | 123.0° | 119.7° |
| C06 | C09 | C10 | 121.0° | 120.2° |
| C06 | C09 | C14 | 120.3° | 120.1° |
| C10 | C09 | C14 | 118.1° | 119.7° |
| C09 | C10 | C11 | 120.7° | 119.9° |
| C09 | C10 | H10 | 119.7° | 120.0° |
| C09 | C14 | C13 | 120.9° | 119.9° |
| C09 | C14 | H14 | 119.6° | 120.0° |
| C10 | C11 | C12 | 120.7° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.1° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | C13 | 118.3° | 120.3° |
| C11 | C12 | C15 | 122.5° | 119.9° |
| C12 | C11 | H11 | 119.6° | 119.9° |
| C14 | C13 | C12 | 120.7° | 120.1° |
| C13 | C14 | H14 | 119.5° | 120.1° |
| C14 | C13 | H13 | 119.7° | 119.9° |
| C13 | C12 | C15 | 119.1° | 119.9° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C12 | C15 | N16 | 113.3° | 109.5° |
| C12 | C15 | H151 | 108.5° | 109.4° |
| C12 | C15 | H152 | 108.5° | 109.4° |
| C15 | N16 | C17 | 114.3° | 111.0° |
| N16 | C15 | H151 | 108.5° | 109.5° |
| N16 | C15 | H152 | 108.5° | 109.5° |
| C15 | N16 | H16 | 108.2° | 111.0° |
| N16 | C17 | C18 | 115.6° | 109.5° |
| C17 | N16 | H16 | 108.2° | 111.0° |
| N16 | C17 | H171 | 107.9° | 109.5° |
| N16 | C17 | H172 | 107.9° | 109.5° |
| C17 | C18 | C19 | 107.8° | 109.5° |
| C18 | C17 | H171 | 107.9° | 109.4° |
| C18 | C17 | H172 | 108.0° | 109.5° |
| C17 | C18 | H181 | 109.9° | 109.4° |
| C17 | C18 | H182 | 109.9° | 109.5° |
| C18 | C19 | C20 | 120.9° | 120.0° |
| C18 | C19 | C24 | 119.9° | 119.9° |
| C19 | C18 | H181 | 109.9° | 109.5° |
| C19 | C18 | H182 | 109.9° | 109.5° |
| C20 | C19 | C24 | 119.1° | 120.1° |
| C19 | C20 | C21 | 120.4° | 120.0° |
| C19 | C20 | H20 | 119.8° | 120.0° |
| C19 | C24 | C23 | 120.8° | 120.0° |
| C19 | C24 | H24 | 119.6° | 120.0° |
| C20 | C21 | F25 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| F25 | C21 | C22 | 120.2° | 120.0° |
| C21 | C22 | C23 | 119.8° | 119.9° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | H23 | 120.1° | 119.9° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H071 | N07 | H072 | 109.4° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C04 | C05 | C03 | 178.4° | 179.8° |
| C08 | C04 | C05 | C06 | 175.0° | 180.0° |
| C08 | C04 | C03 | C02 | 179.3° | 180.0° |
| C04 | C08 | H081 | H082 | 120.0° | 120.0° |
| C04 | C08 | H081 | H083 | 120.0° | 120.0° |
| C04 | C08 | H082 | H083 | 120.0° | 119.9° |
| C08 | C04 | C05 | H05 | 5.0° | 0.1° |
| C08 | C04 | C03 | H03 | 0.7° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 2.3° | 0.2° |
| C04 | C05 | C06 | N01 | 8.7° | 0.1° |
| C04 | C05 | C06 | C09 | 178.8° | 180.0° |
| C05 | C04 | C08 | H081 | 89.2° | 89.9° |
| C05 | C04 | C08 | H082 | 150.8° | 150.0° |
| C05 | C04 | C08 | H083 | 30.8° | 30.1° |
| C05 | C04 | C03 | H03 | 177.7° | 179.8° |
| C03 | C04 | C05 | C06 | 6.6° | 0.1° |
| C04 | C03 | C02 | H03 | 180.0° | 180.0° |
| C04 | C03 | C02 | N07 | 179.4° | 180.0° |
| C04 | C03 | C02 | N01 | 0.2° | 0.0° |
| C03 | C04 | C08 | H081 | 89.2° | 90.2° |
| C03 | C04 | C08 | H082 | 30.8° | 29.8° |
| C03 | C04 | C08 | H083 | 150.8° | 149.7° |
| C03 | C04 | C05 | H05 | 173.4° | 179.8° |
| C05 | C06 | N01 | C02 | 6.6° | 0.3° |
| C05 | C06 | N01 | C09 | 172.1° | 179.9° |
| C05 | C06 | C09 | C10 | 26.0° | 179.9° |
| C05 | C06 | C09 | C14 | 162.6° | 0.2° |
| C03 | C02 | N07 | N01 | 179.6° | 179.9° |
| C03 | C02 | N01 | C06 | 2.4° | 0.2° |
| C03 | C02 | N07 | H071 | 179.6° | 0.1° |
| C03 | C02 | N07 | H072 | 59.6° | 180.0° |
| N07 | C02 | N01 | C06 | 177.2° | 179.7° |
| N07 | C02 | C03 | H03 | 0.6° | 0.0° |
| C02 | N07 | H071 | H072 | 120.0° | 179.9° |
| C02 | N01 | C06 | C09 | 178.7° | 179.8° |
| N01 | C02 | C03 | H03 | 179.8° | 179.9° |
| N01 | C02 | N07 | H071 | 0.0° | 180.0° |
| N01 | C02 | N07 | H072 | 120.0° | 0.1° |
| N01 | C06 | C09 | C10 | 146.1° | 0.0° |
| N01 | C06 | C09 | C14 | 25.3° | 179.7° |
| N01 | C06 | C05 | H05 | 171.3° | 180.0° |
| C06 | C09 | C10 | C14 | 171.6° | 179.7° |
| C06 | C09 | C10 | C11 | 179.1° | 180.0° |
| C06 | C09 | C14 | C13 | 179.1° | 180.0° |
| C09 | C06 | C05 | H05 | 1.2° | 0.1° |
| C06 | C09 | C10 | H10 | 0.9° | 0.0° |
| C06 | C09 | C14 | H14 | 0.9° | 0.0° |
| C09 | C10 | C11 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 3.6° | 0.0° |
| C10 | C09 | C14 | C13 | 9.2° | 0.3° |
| C10 | C09 | C14 | H14 | 170.8° | 179.7° |
| C09 | C10 | C11 | H11 | 176.5° | 179.9° |
| C14 | C09 | C10 | C11 | 7.5° | 0.3° |
| C09 | C14 | C13 | H14 | 180.0° | 180.0° |
| C09 | C14 | C13 | C12 | 6.9° | 0.0° |
| C14 | C09 | C10 | H10 | 172.5° | 179.7° |
| C09 | C14 | C13 | H13 | 173.1° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.0° | 0.3° |
| C10 | C11 | C12 | C15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.7° | 0.3° |
| C11 | C12 | C13 | C15 | 179.0° | 179.7° |
| C11 | C12 | C15 | N16 | 77.3° | 90.0° |
| C12 | C11 | C10 | H10 | 176.4° | 180.0° |
| C11 | C12 | C13 | H13 | 177.3° | 179.7° |
| C11 | C12 | C15 | H151 | 43.2° | 150.0° |
| C11 | C12 | C15 | H152 | 162.1° | 30.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C15 | 178.3° | 180.0° |
| C13 | C12 | C15 | N16 | 103.7° | 89.7° |
| C12 | C13 | C14 | H14 | 173.1° | 180.0° |
| C13 | C12 | C11 | H11 | 179.0° | 179.7° |
| C13 | C12 | C15 | H151 | 135.7° | 30.3° |
| C13 | C12 | C15 | H152 | 16.9° | 150.3° |
| C12 | C15 | N16 | H151 | 120.6° | 120.0° |
| C12 | C15 | N16 | H152 | 120.6° | 120.0° |
| C12 | C15 | N16 | C17 | 175.4° | 180.0° |
| C15 | C12 | C11 | H11 | 0.0° | 0.0° |
| C15 | C12 | C13 | H13 | 1.7° | 0.0° |
| C12 | C15 | H151 | H152 | 118.2° | 119.9° |
| C12 | C15 | N16 | H16 | 54.7° | 56.0° |
| C15 | N16 | C17 | H16 | 120.7° | 123.9° |
| C15 | N16 | C17 | C18 | 60.4° | 180.0° |
| N16 | C15 | H151 | H152 | 118.3° | 120.1° |
| C15 | N16 | C17 | H171 | 60.5° | 60.0° |
| C15 | N16 | C17 | H172 | 178.7° | 60.0° |
| N16 | C17 | C18 | H171 | 120.9° | 120.0° |
| N16 | C17 | C18 | H172 | 120.9° | 120.1° |
| N16 | C17 | C18 | C19 | 178.9° | 180.0° |
| C17 | N16 | C15 | H151 | 64.1° | 60.0° |
| C17 | N16 | C15 | H152 | 54.8° | 60.0° |
| N16 | C17 | H171 | H172 | 117.2° | 120.1° |
| N16 | C17 | C18 | H181 | 59.1° | 60.0° |
| N16 | C17 | C18 | H182 | 61.4° | 60.0° |
| C17 | C18 | C19 | H181 | 119.7° | 120.0° |
| C17 | C18 | C19 | H182 | 119.7° | 120.0° |
| C17 | C18 | C19 | C20 | 88.0° | 90.0° |
| C17 | C18 | C19 | C24 | 91.0° | 90.3° |
| C18 | C17 | N16 | H16 | 178.9° | 56.1° |
| C18 | C17 | H171 | H172 | 117.2° | 119.9° |
| C17 | C18 | H181 | H182 | 120.8° | 120.0° |
| C18 | C19 | C20 | C24 | 179.0° | 179.7° |
| C18 | C19 | C20 | C21 | 179.5° | 180.0° |
| C18 | C19 | C24 | C23 | 179.4° | 179.8° |
| C19 | C18 | C17 | H171 | 60.3° | 60.0° |
| C19 | C18 | C17 | H172 | 58.0° | 59.9° |
| C19 | C18 | H181 | H182 | 120.8° | 120.0° |
| C18 | C19 | C20 | H20 | 0.5° | 0.0° |
| C18 | C19 | C24 | H24 | 0.6° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | F25 | 179.7° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C19 | C24 | C23 | 0.4° | 0.5° |
| C20 | C19 | C18 | H181 | 152.3° | 30.0° |
| C20 | C19 | C18 | H182 | 31.8° | 150.0° |
| C20 | C19 | C24 | H24 | 179.6° | 179.6° |
| C24 | C19 | C20 | C21 | 0.5° | 0.3° |
| C19 | C24 | C23 | C22 | 0.1° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.8° |
| C24 | C19 | C18 | H181 | 28.7° | 149.7° |
| C24 | C19 | C18 | H182 | 149.2° | 29.8° |
| C24 | C19 | C20 | H20 | 179.5° | 179.8° |
| C19 | C24 | C23 | H23 | 179.9° | 179.8° |
| C20 | C21 | F25 | C22 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H22 | 179.8° | 180.0° |
| F25 | C21 | C22 | C23 | 179.9° | 180.0° |
| F25 | C21 | C20 | H20 | 0.3° | 0.1° |
| F25 | C21 | C22 | H22 | 0.1° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.3° |
| C22 | C21 | C20 | H20 | 179.8° | 180.0° |
| C21 | C22 | C23 | H23 | 179.6° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | H24 | 179.9° | 179.7° |
| C24 | C23 | C22 | H22 | 179.6° | 179.8° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H10 | C10 | C11 | H11 | 3.5° | 0.0° |
| H14 | C14 | C13 | H13 | 6.9° | 0.0° |
| H151 | C15 | N16 | H16 | 175.2° | 176.0° |
| H152 | C15 | N16 | H16 | 65.9° | 63.9° |
| H16 | N16 | C17 | H171 | 60.2° | 176.0° |
| H16 | N16 | C17 | H172 | 58.0° | 64.0° |
| H171 | C17 | C18 | H181 | 180.0° | 180.0° |
| H171 | C17 | C18 | H182 | 59.5° | 60.1° |
| H172 | C17 | C18 | H181 | 61.8° | 60.0° |
| H172 | C17 | C18 | H182 | 177.7° | 180.0° |
| H24 | C24 | C23 | H23 | 0.1° | 0.1° |
| H22 | C22 | C23 | H23 | 0.4° | 0.0° |
