LW7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.51Å | 1.51Å | |
C03 | C04 | sing | 1.53Å | 1.53Å | |
C03 | C02 | sing | 1.51Å | 1.52Å | |
N11 | C02 | doub | 1.29Å | 1.29Å | |
N11 | C12 | sing | 1.46Å | 1.47Å | |
C02 | C01 | sing | 1.48Å | 1.48Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C01 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
C01 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.51Å | 1.50Å | |
C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | H1 | sing | 1.09Å | 1.10Å | |
C04 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H13 | sing | 1.08Å | 1.08Å | |
C17 | H14 | sing | 1.08Å | 1.08Å | |
C18 | H15 | sing | 1.08Å | 1.08Å | |
C03 | H16 | sing | 1.09Å | 1.10Å | |
C04 | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C09 | C10 | 120.0° | 120.0° |
C09 | C08 | C07 | 119.4° | 120.0° |
C09 | C08 | H5 | 120.3° | 120.0° |
C08 | C09 | H6 | 120.0° | 120.0° |
C09 | C10 | C05 | 121.1° | 120.0° |
C10 | C09 | H6 | 120.0° | 120.0° |
C09 | C10 | H7 | 119.5° | 120.0° |
C08 | C07 | C06 | 120.4° | 120.0° |
C08 | C07 | H4 | 119.8° | 120.0° |
C07 | C08 | H5 | 120.3° | 120.0° |
C10 | C05 | C06 | 118.5° | 120.0° |
C10 | C05 | C04 | 121.5° | 120.0° |
C05 | C10 | H7 | 119.5° | 120.0° |
C07 | C06 | C05 | 120.6° | 120.0° |
C07 | C06 | H3 | 119.7° | 120.0° |
C06 | C07 | H4 | 119.8° | 120.0° |
C06 | C05 | C04 | 120.0° | 120.0° |
C05 | C06 | H3 | 119.7° | 120.0° |
C05 | C04 | C03 | 115.4° | 109.5° |
C05 | C04 | H2 | 107.9° | 109.5° |
C05 | C04 | H17 | 108.0° | 109.5° |
C04 | C03 | C02 | 115.3° | 109.5° |
C04 | C03 | H1 | 108.0° | 109.4° |
C03 | C04 | H2 | 108.0° | 109.4° |
C04 | C03 | H16 | 108.0° | 109.5° |
C03 | C04 | H17 | 108.0° | 109.5° |
C03 | C02 | N11 | 118.8° | 120.1° |
C03 | C02 | C01 | 117.8° | 120.1° |
C02 | C03 | H1 | 108.0° | 109.5° |
C02 | C03 | H16 | 108.0° | 109.5° |
C02 | N11 | C12 | 119.6° | 122.2° |
N11 | C02 | C01 | 123.2° | 119.7° |
N11 | C12 | C13 | 117.2° | 111.2° |
N11 | C12 | H8 | 107.5° | 109.1° |
N11 | C12 | H9 | 107.5° | 109.2° |
C02 | C01 | C18 | 122.4° | 121.5° |
C02 | C01 | C14 | 118.5° | 118.6° |
C12 | C13 | C14 | 111.8° | 109.4° |
C13 | C12 | H8 | 107.5° | 109.1° |
C13 | C12 | H9 | 107.5° | 109.1° |
C12 | C13 | H10 | 108.9° | 109.5° |
C12 | C13 | H11 | 108.9° | 109.5° |
C18 | C01 | C14 | 119.1° | 120.0° |
C01 | C18 | C17 | 119.9° | 119.5° |
C01 | C18 | H15 | 120.1° | 120.2° |
C01 | C14 | C13 | 120.8° | 118.7° |
C01 | C14 | C15 | 120.3° | 120.0° |
C18 | C17 | C16 | 120.8° | 120.2° |
C18 | C17 | H14 | 119.6° | 119.9° |
C17 | C18 | H15 | 120.1° | 120.3° |
C13 | C14 | C15 | 118.9° | 121.3° |
C14 | C13 | H10 | 108.9° | 109.5° |
C14 | C13 | H11 | 108.9° | 109.5° |
C14 | C15 | C16 | 120.5° | 119.9° |
C14 | C15 | H12 | 119.8° | 120.1° |
C17 | C16 | C15 | 119.5° | 120.5° |
C17 | C16 | H13 | 120.3° | 119.7° |
C16 | C17 | H14 | 119.6° | 119.9° |
C16 | C15 | H12 | 119.8° | 120.1° |
C15 | C16 | H13 | 120.3° | 119.8° |
H1 | C03 | H16 | 109.5° | 109.5° |
H2 | C04 | H17 | 109.5° | 109.4° |
H8 | C12 | H9 | 109.5° | 109.1° |
H10 | C13 | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C09 | C10 | H6 | 180.0° | 179.8° |
C09 | C08 | C07 | H5 | 180.0° | 179.9° |
C08 | C09 | C10 | C05 | 0.0° | 0.5° |
C09 | C08 | C07 | C06 | 0.0° | 0.0° |
C09 | C08 | C07 | H4 | 180.0° | 180.0° |
C08 | C09 | C10 | H7 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.1° | 0.3° |
C09 | C10 | C05 | H7 | 180.0° | 179.5° |
C09 | C10 | C05 | C06 | 0.1° | 0.5° |
C09 | C10 | C05 | C04 | 179.9° | 179.7° |
C10 | C09 | C08 | H5 | 180.0° | 179.8° |
C08 | C07 | C06 | H4 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 0.2° | 0.0° |
C08 | C07 | C06 | H3 | 179.8° | 180.0° |
C07 | C08 | C09 | H6 | 180.0° | 180.0° |
C10 | C05 | C06 | C07 | 0.2° | 0.3° |
C10 | C05 | C06 | C04 | 179.8° | 179.8° |
C10 | C05 | C04 | C03 | 53.4° | 90.3° |
C10 | C05 | C04 | H2 | 174.2° | 149.7° |
C10 | C05 | C06 | H3 | 179.8° | 179.8° |
C05 | C10 | C09 | H6 | 180.0° | 179.7° |
C10 | C05 | C04 | H17 | 67.5° | 29.8° |
C07 | C06 | C05 | H3 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 180.0° | 180.0° |
C06 | C07 | C08 | H5 | 179.9° | 179.9° |
C06 | C05 | C04 | C03 | 126.8° | 90.0° |
C06 | C05 | C04 | H2 | 6.0° | 30.0° |
C05 | C06 | C07 | H4 | 179.8° | 180.0° |
C06 | C05 | C10 | H7 | 179.9° | 180.0° |
C06 | C05 | C04 | H17 | 112.3° | 150.0° |
C05 | C04 | C03 | H2 | 120.8° | 120.0° |
C05 | C04 | C03 | H17 | 120.9° | 120.1° |
C05 | C04 | C03 | C02 | 174.7° | 180.0° |
C05 | C04 | C03 | H1 | 53.8° | 60.0° |
C05 | C04 | H2 | H17 | 117.3° | 120.0° |
C04 | C05 | C06 | H3 | 0.0° | 0.0° |
C04 | C05 | C10 | H7 | 0.1° | 0.2° |
C05 | C04 | C03 | H16 | 64.5° | 60.0° |
C04 | C03 | C02 | H1 | 120.8° | 119.9° |
C04 | C03 | C02 | H16 | 120.9° | 120.0° |
C04 | C03 | C02 | N11 | 77.1° | 0.1° |
C04 | C03 | C02 | C01 | 98.3° | 179.9° |
C04 | C03 | H1 | H16 | 117.4° | 120.0° |
C03 | C04 | H2 | H17 | 117.3° | 120.0° |
C03 | C02 | N11 | C01 | 175.2° | 180.0° |
C03 | C02 | N11 | C12 | 178.7° | 179.2° |
C03 | C02 | C01 | C18 | 15.1° | 18.8° |
C03 | C02 | C01 | C14 | 164.7° | 160.8° |
C02 | C03 | H1 | H16 | 117.4° | 120.0° |
C02 | C03 | C04 | H2 | 64.5° | 60.0° |
C02 | C03 | C04 | H17 | 53.8° | 59.9° |
C02 | N11 | C12 | C13 | 26.9° | 36.3° |
N11 | C02 | C01 | C18 | 169.7° | 161.2° |
N11 | C02 | C01 | C14 | 10.6° | 19.2° |
N11 | C02 | C03 | H1 | 43.7° | 120.0° |
C02 | N11 | C12 | H8 | 148.0° | 156.6° |
C02 | N11 | C12 | H9 | 94.2° | 84.2° |
N11 | C02 | C03 | H16 | 162.0° | 120.0° |
C12 | N11 | C02 | C01 | 3.5° | 0.8° |
N11 | C12 | C13 | H8 | 121.1° | 120.3° |
N11 | C12 | C13 | H9 | 121.1° | 120.5° |
N11 | C12 | C13 | C14 | 34.2° | 50.0° |
N11 | C12 | H8 | H9 | 116.5° | 119.2° |
N11 | C12 | C13 | H10 | 86.1° | 169.9° |
N11 | C12 | C13 | H11 | 154.6° | 70.0° |
C02 | C01 | C18 | C14 | 179.7° | 179.6° |
C02 | C01 | C18 | C17 | 179.7° | 179.7° |
C02 | C01 | C14 | C13 | 0.2° | 0.4° |
C02 | C01 | C14 | C15 | 179.7° | 179.7° |
C01 | C02 | C03 | H1 | 140.8° | 60.0° |
C02 | C01 | C18 | H15 | 0.3° | 0.4° |
C01 | C02 | C03 | H16 | 22.5° | 60.0° |
C12 | C13 | C14 | C01 | 21.1° | 33.3° |
C12 | C13 | C14 | H10 | 120.3° | 119.9° |
C12 | C13 | C14 | H11 | 120.3° | 120.0° |
C12 | C13 | C14 | C15 | 159.1° | 146.7° |
C13 | C12 | H8 | H9 | 116.5° | 119.1° |
C12 | C13 | H10 | H11 | 118.9° | 120.1° |
C01 | C18 | C17 | H15 | 180.0° | 179.9° |
C18 | C01 | C14 | C13 | 179.9° | 180.0° |
C18 | C01 | C14 | C15 | 0.1° | 0.0° |
C01 | C18 | C17 | C16 | 0.1° | 0.1° |
C01 | C18 | C17 | H14 | 179.9° | 179.9° |
C14 | C01 | C18 | C17 | 0.1° | 0.1° |
C01 | C14 | C13 | C15 | 179.9° | 180.0° |
C01 | C14 | C15 | C16 | 0.0° | 0.0° |
C01 | C14 | C13 | H10 | 99.3° | 153.2° |
C01 | C14 | C13 | H11 | 141.4° | 86.7° |
C01 | C14 | C15 | H12 | 180.0° | 180.0° |
C14 | C01 | C18 | H15 | 179.9° | 180.0° |
C18 | C17 | C16 | H14 | 180.0° | 180.0° |
C18 | C17 | C16 | C15 | 0.0° | 0.1° |
C18 | C17 | C16 | H13 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 179.9° | 180.0° |
C14 | C13 | C12 | H8 | 155.3° | 170.3° |
C14 | C13 | C12 | H9 | 86.9° | 70.6° |
C14 | C13 | H10 | H11 | 119.0° | 120.0° |
C13 | C14 | C15 | H12 | 0.1° | 0.0° |
C14 | C15 | C16 | C17 | 0.0° | 0.0° |
C14 | C15 | C16 | H12 | 180.0° | 180.0° |
C15 | C14 | C13 | H10 | 80.6° | 26.8° |
C15 | C14 | C13 | H11 | 38.7° | 93.3° |
C14 | C15 | C16 | H13 | 180.0° | 180.0° |
C17 | C16 | C15 | H13 | 180.0° | 180.0° |
C17 | C16 | C15 | H12 | 180.0° | 180.0° |
C16 | C17 | C18 | H15 | 179.9° | 180.0° |
C15 | C16 | C17 | H14 | 180.0° | 179.9° |
H1 | C03 | C04 | H2 | 174.7° | 180.0° |
H1 | C03 | C04 | H17 | 67.0° | 60.0° |
H2 | C04 | C03 | H16 | 56.4° | 60.0° |
H3 | C06 | C07 | H4 | 0.2° | 0.0° |
H4 | C07 | C08 | H5 | 0.1° | 0.0° |
H5 | C08 | C09 | H6 | 0.0° | 0.0° |
H6 | C09 | C10 | H7 | 0.0° | 0.2° |
H8 | C12 | C13 | H10 | 35.0° | 69.7° |
H8 | C12 | C13 | H11 | 84.3° | 50.3° |
H9 | C12 | C13 | H10 | 152.8° | 49.4° |
H9 | C12 | C13 | H11 | 33.5° | 169.5° |
H12 | C15 | C16 | H13 | 0.0° | 0.0° |
H13 | C16 | C17 | H14 | 0.0° | 0.1° |
H14 | C17 | C18 | H15 | 0.1° | 0.0° |
H16 | C03 | C04 | H17 | 174.7° | 180.0° |