FZ9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
C10 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
C10 | C09 | sing | 1.47Å | 1.43Å | Aromatic |
C15 | N16 | sing | 1.38Å | 1.40Å | Aromatic |
C07 | C06 | sing | 1.53Å | 1.48Å | |
C07 | C08 | sing | 1.50Å | 1.33Å | |
N22 | C21 | doub | 1.30Å | 1.35Å | Aromatic |
N22 | N23 | sing | 1.40Å | 1.38Å | Aromatic |
C21 | C20 | sing | 1.41Å | 1.45Å | Aromatic |
C06 | N05 | sing | 1.47Å | 1.48Å | |
C09 | C08 | sing | 1.48Å | 1.44Å | |
C09 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
N16 | C17 | sing | 1.36Å | 1.39Å | Aromatic |
C08 | C18 | doub | 1.32Å | 1.50Å | |
N23 | C24 | sing | 1.36Å | 1.38Å | Aromatic |
C20 | C24 | doub | 1.41Å | 1.42Å | Aromatic |
C20 | C04 | sing | 1.41Å | 1.41Å | Aromatic |
N05 | C04 | sing | 1.38Å | 1.43Å | |
N05 | C19 | sing | 1.47Å | 1.46Å | |
C18 | C19 | sing | 1.50Å | 1.52Å | |
C24 | N01 | sing | 1.33Å | 1.35Å | Aromatic |
C04 | N03 | doub | 1.33Å | 1.34Å | Aromatic |
N01 | C02 | doub | 1.31Å | 1.32Å | Aromatic |
N03 | C02 | sing | 1.32Å | 1.33Å | Aromatic |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.09Å | 1.10Å | |
C07 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.08Å | 1.08Å | |
N16 | H8 | sing | 0.97Å | 1.00Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C21 | H12 | sing | 1.08Å | 1.08Å | |
N23 | H13 | sing | 0.97Å | 1.00Å | |
C06 | H14 | sing | 1.09Å | 1.10Å | |
C07 | H15 | sing | 1.09Å | 1.10Å | |
C19 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C13 | C12 | C11 | 121.4° | 120.3° |
C12 | C13 | C14 | 120.6° | 120.6° |
C13 | C12 | H5 | 119.3° | 119.8° |
C12 | C13 | H6 | 119.7° | 119.7° |
C12 | C11 | C10 | 120.0° | 119.7° |
C12 | C11 | H4 | 120.0° | 120.1° |
C11 | C12 | H5 | 119.3° | 119.9° |
C13 | C14 | C15 | 117.5° | 120.0° |
C14 | C13 | H6 | 119.7° | 119.7° |
C13 | C14 | H7 | 121.2° | 120.0° |
C11 | C10 | C15 | 117.5° | 120.1° |
C11 | C10 | C09 | 135.1° | 133.9° |
C10 | C11 | H4 | 120.0° | 120.2° |
C14 | C15 | C10 | 123.0° | 119.3° |
C14 | C15 | N16 | 129.5° | 133.2° |
C15 | C14 | H7 | 121.2° | 120.0° |
C15 | C10 | C09 | 107.4° | 106.0° |
C10 | C15 | N16 | 107.5° | 107.4° |
C10 | C09 | C08 | 129.9° | 126.7° |
C10 | C09 | C17 | 107.1° | 106.6° |
C15 | N16 | C17 | 108.1° | 110.2° |
C15 | N16 | H8 | 126.0° | 124.9° |
C06 | C07 | C08 | 123.5° | 109.7° |
C07 | C06 | N05 | 117.5° | 108.6° |
C07 | C06 | H2 | 107.4° | 109.6° |
C06 | C07 | H3 | 105.9° | 109.5° |
C07 | C06 | H14 | 107.4° | 109.8° |
C06 | C07 | H15 | 105.8° | 109.4° |
C07 | C08 | C09 | 122.8° | 118.7° |
C07 | C08 | C18 | 120.6° | 122.7° |
C08 | C07 | H3 | 105.9° | 109.4° |
C08 | C07 | H15 | 105.9° | 109.4° |
C21 | N22 | N23 | 107.0° | 109.6° |
N22 | C21 | C20 | 110.1° | 108.5° |
N22 | C21 | H12 | 124.9° | 125.7° |
N22 | N23 | C24 | 111.0° | 108.3° |
N22 | N23 | H13 | 124.5° | 125.9° |
C21 | C20 | C24 | 104.8° | 107.0° |
C21 | C20 | C04 | 139.3° | 134.7° |
C20 | C21 | H12 | 125.0° | 125.8° |
C06 | N05 | C04 | 123.0° | 111.0° |
C06 | N05 | C19 | 116.0° | 110.3° |
N05 | C06 | H2 | 107.4° | 109.6° |
N05 | C06 | H14 | 107.4° | 109.6° |
C08 | C09 | C17 | 123.0° | 126.7° |
C09 | C08 | C18 | 116.5° | 118.6° |
C09 | C17 | N16 | 109.8° | 109.8° |
C09 | C17 | H9 | 125.1° | 125.2° |
C17 | N16 | H8 | 125.9° | 124.9° |
N16 | C17 | H9 | 125.1° | 125.1° |
C08 | C18 | C19 | 115.7° | 123.0° |
C08 | C18 | H10 | 122.2° | 118.5° |
N23 | C24 | C20 | 107.1° | 106.6° |
N23 | C24 | N01 | 128.9° | 134.6° |
C24 | N23 | H13 | 124.5° | 125.9° |
C24 | C20 | C04 | 115.9° | 118.3° |
C20 | C24 | N01 | 124.0° | 118.8° |
C20 | C04 | N05 | 121.7° | 120.8° |
C20 | C04 | N03 | 119.8° | 118.4° |
C04 | N05 | C19 | 121.0° | 111.0° |
N05 | C04 | N03 | 118.5° | 120.8° |
N05 | C19 | C18 | 115.9° | 110.3° |
N05 | C19 | H11 | 107.8° | 109.4° |
N05 | C19 | H16 | 107.9° | 109.4° |
C19 | C18 | H10 | 122.1° | 118.5° |
C18 | C19 | H11 | 107.8° | 109.3° |
C18 | C19 | H16 | 107.8° | 109.4° |
C24 | N01 | C02 | 113.3° | 120.7° |
C04 | N03 | C02 | 118.0° | 121.2° |
N01 | C02 | N03 | 129.0° | 122.6° |
N01 | C02 | H1 | 115.5° | 118.7° |
N03 | C02 | H1 | 115.5° | 118.7° |
H2 | C06 | H14 | 109.5° | 109.6° |
H3 | C07 | H15 | 109.5° | 109.4° |
H11 | C19 | H16 | 109.5° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C13 | C12 | C11 | H5 | 180.0° | 179.9° |
C12 | C13 | C14 | H6 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.3° | 0.1° |
C12 | C13 | C14 | C15 | 0.8° | 0.0° |
C13 | C12 | C11 | H4 | 179.7° | 179.9° |
C12 | C13 | C14 | H7 | 179.3° | 180.0° |
C11 | C12 | C13 | C14 | 0.5° | 0.1° |
C12 | C11 | C10 | H4 | 180.0° | 180.0° |
C12 | C11 | C10 | C15 | 0.8° | 0.0° |
C12 | C11 | C10 | C09 | 179.9° | 180.0° |
C11 | C12 | C13 | H6 | 179.5° | 180.0° |
C13 | C14 | C15 | H7 | 180.0° | 180.0° |
C13 | C14 | C15 | C10 | 0.2° | 0.1° |
C13 | C14 | C15 | N16 | 179.0° | 179.9° |
C14 | C13 | C12 | H5 | 179.5° | 180.0° |
C11 | C10 | C15 | C14 | 0.6° | 0.1° |
C11 | C10 | C15 | C09 | 179.3° | 180.0° |
C11 | C10 | C15 | N16 | 180.0° | 180.0° |
C11 | C10 | C09 | C08 | 2.7° | 0.0° |
C11 | C10 | C09 | C17 | 180.0° | 179.8° |
C10 | C11 | C12 | H5 | 179.7° | 180.0° |
C14 | C15 | C10 | N16 | 179.4° | 179.9° |
C14 | C15 | C10 | C09 | 179.9° | 179.9° |
C14 | C15 | N16 | C17 | 179.6° | 179.8° |
C15 | C14 | C13 | H6 | 179.2° | 180.0° |
C14 | C15 | N16 | H8 | 0.4° | 0.1° |
C15 | C10 | C09 | C08 | 178.2° | 180.0° |
C15 | C10 | C09 | C17 | 0.9° | 0.2° |
C10 | C15 | N16 | C17 | 0.3° | 0.3° |
C15 | C10 | C11 | H4 | 179.2° | 180.0° |
C10 | C15 | C14 | H7 | 179.8° | 179.9° |
C10 | C15 | N16 | H8 | 179.7° | 180.0° |
C09 | C10 | C15 | N16 | 0.7° | 0.1° |
C10 | C09 | C08 | C07 | 33.0° | 105.3° |
C10 | C09 | C08 | C17 | 176.9° | 179.8° |
C10 | C09 | C17 | N16 | 0.7° | 0.4° |
C10 | C09 | C08 | C18 | 144.8° | 74.7° |
C09 | C10 | C11 | H4 | 0.1° | 0.0° |
C10 | C09 | C17 | H9 | 179.3° | 179.8° |
C15 | N16 | C17 | C09 | 0.3° | 0.4° |
C15 | N16 | C17 | H8 | 180.0° | 179.7° |
N16 | C15 | C14 | H7 | 0.9° | 0.1° |
C15 | N16 | C17 | H9 | 179.8° | 179.7° |
C06 | C07 | C08 | H3 | 121.9° | 120.1° |
C06 | C07 | C08 | H15 | 121.9° | 120.0° |
C07 | C06 | N05 | H2 | 121.1° | 119.7° |
C07 | C06 | N05 | H14 | 121.1° | 119.9° |
C06 | C07 | C08 | C09 | 178.2° | 163.5° |
C06 | C07 | C08 | C18 | 0.6° | 16.5° |
C07 | C06 | N05 | C04 | 154.9° | 167.2° |
C07 | C06 | N05 | C19 | 24.8° | 69.3° |
C07 | C06 | H2 | H14 | 116.3° | 120.6° |
C06 | C07 | H3 | H15 | 113.7° | 119.9° |
C08 | C07 | C06 | N05 | 5.6° | 49.2° |
C07 | C08 | C09 | C18 | 177.8° | 179.9° |
C07 | C08 | C09 | C17 | 150.1° | 75.0° |
C07 | C08 | C18 | C19 | 14.4° | 0.4° |
C08 | C07 | C06 | H2 | 126.7° | 70.5° |
C08 | C07 | H3 | H15 | 113.7° | 119.9° |
C07 | C08 | C18 | H10 | 165.6° | 179.7° |
C08 | C07 | C06 | H14 | 115.6° | 169.0° |
N22 | C21 | C20 | H12 | 180.0° | 180.0° |
C21 | N22 | N23 | C24 | 0.0° | 0.0° |
N22 | C21 | C20 | C24 | 0.4° | 0.0° |
N22 | C21 | C20 | C04 | 179.4° | 180.0° |
C21 | N22 | N23 | H13 | 180.0° | 180.0° |
N23 | N22 | C21 | C20 | 0.2° | 0.0° |
N22 | N23 | C24 | H13 | 180.0° | 180.0° |
N22 | N23 | C24 | C20 | 0.3° | 0.0° |
N22 | N23 | C24 | N01 | 179.5° | 180.0° |
N23 | N22 | C21 | H12 | 179.8° | 180.0° |
C21 | C20 | C24 | N23 | 0.4° | 0.0° |
C21 | C20 | C24 | C04 | 179.3° | 180.0° |
C21 | C20 | C04 | N05 | 0.3° | 0.0° |
C21 | C20 | C24 | N01 | 179.4° | 180.0° |
C21 | C20 | C04 | N03 | 178.0° | 180.0° |
C06 | N05 | C04 | C20 | 5.4° | 67.0° |
C06 | N05 | C04 | C19 | 179.7° | 123.0° |
C06 | N05 | C19 | C18 | 38.6° | 51.2° |
C06 | N05 | C04 | N03 | 176.9° | 113.0° |
N05 | C06 | H2 | H14 | 116.4° | 120.4° |
N05 | C06 | C07 | H3 | 127.5° | 169.3° |
C06 | N05 | C19 | H11 | 159.5° | 171.4° |
N05 | C06 | C07 | H15 | 116.3° | 70.9° |
C06 | N05 | C19 | H16 | 82.3° | 69.1° |
C08 | C09 | C17 | N16 | 178.2° | 179.8° |
C09 | C08 | C18 | C19 | 167.8° | 179.7° |
C09 | C08 | C07 | H3 | 59.8° | 43.4° |
C08 | C09 | C17 | H9 | 1.8° | 0.0° |
C09 | C08 | C18 | H10 | 12.2° | 0.2° |
C09 | C08 | C07 | H15 | 56.4° | 76.5° |
C09 | C17 | N16 | H9 | 180.0° | 179.9° |
C17 | C09 | C08 | C18 | 32.1° | 105.1° |
C09 | C17 | N16 | H8 | 179.7° | 179.8° |
C08 | C18 | C19 | N05 | 33.4° | 17.1° |
C08 | C18 | C19 | H10 | 180.0° | 179.9° |
C18 | C08 | C07 | H3 | 122.5° | 136.6° |
C08 | C18 | C19 | H11 | 154.3° | 137.4° |
C18 | C08 | C07 | H15 | 121.3° | 103.5° |
C08 | C18 | C19 | H16 | 87.5° | 103.1° |
N23 | C24 | C20 | N01 | 179.8° | 180.0° |
N23 | C24 | C20 | C04 | 179.7° | 180.0° |
N23 | C24 | N01 | C02 | 179.0° | 180.0° |
C24 | C20 | C04 | N05 | 178.6° | 179.9° |
C24 | C20 | C04 | N03 | 0.9° | 0.1° |
C20 | C24 | N01 | C02 | 0.7° | 0.0° |
C24 | C20 | C21 | H12 | 179.6° | 180.0° |
C20 | C24 | N23 | H13 | 179.7° | 180.0° |
C20 | C04 | N05 | N03 | 177.7° | 180.0° |
C20 | C04 | N05 | C19 | 174.9° | 56.0° |
C04 | C20 | C24 | N01 | 0.1° | 0.0° |
C20 | C04 | N03 | C02 | 1.2° | 0.1° |
C04 | C20 | C21 | H12 | 0.6° | 0.0° |
C04 | N05 | C19 | C18 | 141.2° | 174.6° |
N05 | C04 | N03 | C02 | 179.0° | 179.9° |
C04 | N05 | C06 | H2 | 33.8° | 73.1° |
C04 | N05 | C19 | H11 | 20.3° | 65.2° |
C04 | N05 | C06 | H14 | 83.9° | 47.3° |
C04 | N05 | C19 | H16 | 97.9° | 54.3° |
N05 | C19 | C18 | H11 | 120.9° | 120.3° |
N05 | C19 | C18 | H16 | 120.9° | 120.3° |
C19 | N05 | C04 | N03 | 2.9° | 124.0° |
C19 | N05 | C06 | H2 | 146.0° | 50.4° |
N05 | C19 | C18 | H10 | 146.6° | 162.9° |
N05 | C19 | H11 | H16 | 117.1° | 119.6° |
C19 | N05 | C06 | H14 | 96.3° | 170.8° |
C18 | C19 | H11 | H16 | 117.1° | 119.6° |
C24 | N01 | C02 | N03 | 0.4° | 0.1° |
C24 | N01 | C02 | H1 | 179.5° | 179.9° |
N01 | C24 | N23 | H13 | 0.5° | 0.0° |
C04 | N03 | C02 | N01 | 0.5° | 0.1° |
C04 | N03 | C02 | H1 | 179.5° | 180.0° |
N01 | C02 | N03 | H1 | 180.0° | 179.9° |
H2 | C06 | C07 | H3 | 111.3° | 49.6° |
H2 | C06 | C07 | H15 | 4.8° | 169.4° |
H3 | C07 | C06 | H14 | 6.4° | 70.9° |
H4 | C11 | C12 | H5 | 0.3° | 0.0° |
H5 | C12 | C13 | H6 | 0.5° | 0.0° |
H6 | C13 | C14 | H7 | 0.7° | 0.1° |
H8 | N16 | C17 | H9 | 0.2° | 0.0° |
H10 | C18 | C19 | H11 | 25.7° | 42.7° |
H10 | C18 | C19 | H16 | 92.5° | 76.8° |
H14 | C06 | C07 | H15 | 122.5° | 49.0° |