UV4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
C01 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.48Å | 1.52Å | |
C04 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
C05 | O06 | doub | 1.21Å | 1.22Å | |
C05 | N07 | sing | 1.35Å | 1.33Å | |
N07 | O08 | doub | 1.22Å | 1.22Å | |
C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | N11 | sing | 1.40Å | 1.36Å | |
N11 | C12 | sing | 1.35Å | 1.33Å | |
C12 | O13 | doub | 1.22Å | 1.21Å | |
C12 | C14 | sing | 1.48Å | 1.51Å | |
C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
C14 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C01 | H01 | sing | 1.08Å | 1.08Å | |
C02 | H02 | sing | 1.08Å | 1.08Å | |
C03 | H03 | sing | 1.08Å | 1.08Å | |
C09 | H09 | sing | 1.08Å | 1.08Å | |
N11 | HN11 | sing | 0.97Å | 1.00Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C01 | C10 | 120.0° | 120.3° |
C01 | C02 | C03 | 120.4° | 120.3° |
C02 | C01 | H01 | 120.0° | 119.9° |
C01 | C02 | H02 | 119.8° | 119.9° |
C01 | C10 | C09 | 118.9° | 120.0° |
C01 | C10 | N11 | 122.2° | 120.0° |
C10 | C01 | H01 | 120.0° | 119.9° |
C02 | C03 | C04 | 120.2° | 120.0° |
C03 | C02 | H02 | 119.8° | 119.9° |
C02 | C03 | H03 | 119.9° | 120.1° |
C03 | C04 | C05 | 121.1° | 120.1° |
C03 | C04 | C09 | 118.8° | 119.7° |
C04 | C03 | H03 | 119.9° | 120.0° |
C05 | C04 | C09 | 120.2° | 120.1° |
C04 | C05 | O06 | 120.8° | 120.0° |
C04 | C05 | N07 | 120.0° | 120.1° |
C04 | C09 | C10 | 121.8° | 119.8° |
C04 | C09 | H09 | 119.1° | 120.2° |
O06 | C05 | N07 | 119.2° | 120.0° |
C05 | N07 | O08 | 120.8° | 120.1° |
C09 | C10 | N11 | 118.9° | 120.0° |
C10 | C09 | H09 | 119.1° | 120.1° |
C10 | N11 | C12 | 126.2° | 120.0° |
C10 | N11 | HN11 | 116.9° | 120.0° |
N11 | C12 | O13 | 122.1° | 120.0° |
N11 | C12 | C14 | 120.1° | 120.0° |
C12 | N11 | HN11 | 116.9° | 120.0° |
O13 | C12 | C14 | 117.8° | 120.0° |
C12 | C14 | C15 | 120.0° | 120.1° |
C12 | C14 | C19 | 120.4° | 120.2° |
C15 | C14 | C19 | 119.5° | 119.7° |
C14 | C15 | C16 | 120.3° | 119.8° |
C14 | C15 | H15 | 119.8° | 120.1° |
C14 | C19 | C18 | 120.4° | 119.9° |
C14 | C19 | H19 | 119.8° | 120.0° |
C15 | C16 | C17 | 119.8° | 120.2° |
C16 | C15 | H15 | 119.8° | 120.1° |
C15 | C16 | H16 | 120.1° | 119.9° |
C16 | C17 | C18 | 120.1° | 120.3° |
C17 | C16 | H16 | 120.1° | 119.9° |
C16 | C17 | H17 | 120.0° | 119.9° |
C17 | C18 | C19 | 119.8° | 120.1° |
C18 | C17 | H17 | 120.0° | 119.8° |
C17 | C18 | H18 | 120.1° | 120.0° |
C19 | C18 | H18 | 120.1° | 119.9° |
C18 | C19 | H19 | 119.8° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | C10 | H01 | 180.0° | 179.7° |
C01 | C02 | C03 | H02 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.4° | 0.0° |
C02 | C01 | C10 | C09 | 0.6° | 0.0° |
C02 | C01 | C10 | N11 | 178.7° | 180.0° |
C01 | C02 | C03 | H03 | 179.6° | 180.0° |
C10 | C01 | C02 | C03 | 0.4° | 0.0° |
C01 | C10 | C09 | C04 | 0.7° | 0.0° |
C01 | C10 | C09 | N11 | 178.2° | 180.0° |
C01 | C10 | N11 | C12 | 67.7° | 33.4° |
C10 | C01 | C02 | H02 | 179.6° | 180.0° |
C01 | C10 | C09 | H09 | 179.3° | 180.0° |
C01 | C10 | N11 | HN11 | 112.3° | 146.7° |
C02 | C03 | C04 | H03 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 179.5° | 180.0° |
C02 | C03 | C04 | C09 | 0.6° | 0.0° |
C03 | C02 | C01 | H01 | 179.6° | 179.8° |
C03 | C04 | C05 | C09 | 178.9° | 180.0° |
C03 | C04 | C05 | O06 | 157.2° | 180.0° |
C03 | C04 | C05 | N07 | 24.1° | 0.0° |
C03 | C04 | C09 | C10 | 0.7° | 0.0° |
C04 | C03 | C02 | H02 | 179.6° | 180.0° |
C03 | C04 | C09 | H09 | 179.3° | 180.0° |
C04 | C05 | O06 | N07 | 178.7° | 180.0° |
C04 | C05 | N07 | O08 | 176.6° | 180.0° |
C05 | C04 | C09 | C10 | 179.6° | 180.0° |
C05 | C04 | C03 | H03 | 0.5° | 0.0° |
C05 | C04 | C09 | H09 | 0.4° | 0.0° |
C09 | C04 | C05 | O06 | 24.0° | 0.0° |
C09 | C04 | C05 | N07 | 154.7° | 180.0° |
C04 | C09 | C10 | H09 | 180.0° | 180.0° |
C04 | C09 | C10 | N11 | 178.9° | 180.0° |
C09 | C04 | C03 | H03 | 179.4° | 180.0° |
O06 | C05 | N07 | O08 | 4.6° | 0.0° |
C09 | C10 | N11 | C12 | 114.2° | 146.6° |
C09 | C10 | C01 | H01 | 179.5° | 179.7° |
C09 | C10 | N11 | HN11 | 65.8° | 33.3° |
C10 | N11 | C12 | HN11 | 180.0° | 179.9° |
C10 | N11 | C12 | O13 | 15.5° | 5.2° |
C10 | N11 | C12 | C14 | 164.9° | 174.7° |
N11 | C10 | C01 | H01 | 1.3° | 0.2° |
N11 | C10 | C09 | H09 | 1.1° | 0.1° |
N11 | C12 | O13 | C14 | 179.6° | 179.9° |
N11 | C12 | C14 | C15 | 138.0° | 180.0° |
N11 | C12 | C14 | C19 | 42.7° | 0.3° |
O13 | C12 | C14 | C15 | 42.4° | 0.1° |
O13 | C12 | C14 | C19 | 136.9° | 179.8° |
O13 | C12 | N11 | HN11 | 164.5° | 174.7° |
C12 | C14 | C15 | C19 | 179.3° | 179.7° |
C12 | C14 | C15 | C16 | 179.6° | 179.9° |
C12 | C14 | C19 | C18 | 179.5° | 179.8° |
C14 | C12 | N11 | HN11 | 15.1° | 5.4° |
C12 | C14 | C15 | H15 | 0.4° | 0.0° |
C12 | C14 | C19 | H19 | 0.5° | 0.1° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.2° | 0.1° |
C15 | C14 | C19 | C18 | 0.2° | 0.5° |
C14 | C15 | C16 | H16 | 179.8° | 180.0° |
C15 | C14 | C19 | H19 | 179.8° | 179.8° |
C19 | C14 | C15 | C16 | 0.3° | 0.2° |
C14 | C19 | C18 | C17 | 0.1° | 0.5° |
C14 | C19 | C18 | H19 | 180.0° | 179.7° |
C19 | C14 | C15 | H15 | 179.7° | 179.7° |
C14 | C19 | C18 | H18 | 179.9° | 179.7° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 0.0° | 0.1° |
C15 | C16 | C17 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.0° | 0.2° |
C17 | C16 | C15 | H15 | 179.8° | 180.0° |
C16 | C17 | C18 | H18 | 180.0° | 180.0° |
C17 | C18 | C19 | H18 | 180.0° | 179.8° |
C18 | C17 | C16 | H16 | 180.0° | 180.0° |
C17 | C18 | C19 | H19 | 179.9° | 179.8° |
C19 | C18 | C17 | H17 | 180.0° | 179.8° |
H01 | C01 | C02 | H02 | 0.4° | 0.3° |
H02 | C02 | C03 | H03 | 0.4° | 0.0° |
H15 | C15 | C16 | H16 | 0.2° | 0.0° |
H16 | C16 | C17 | H17 | 0.0° | 0.0° |
H17 | C17 | C18 | H18 | 0.0° | 0.0° |
H18 | C18 | C19 | H19 | 0.1° | 0.0° |