L18
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C8 | C9 | sing | 1.52Å | 1.52Å | |
C8 | C10 | sing | 1.54Å | 1.54Å | |
C8 | C7 | sing | 1.56Å | 1.56Å | |
C10 | C11 | sing | 1.54Å | 1.54Å | |
C11 | C12 | sing | 1.52Å | 1.52Å | |
C11 | C13 | sing | 1.50Å | 1.50Å | |
C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
C15 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.55Å | 1.55Å | |
C1 | N1 | sing | 1.54Å | 1.54Å | |
C2 | C3 | sing | 1.54Å | 1.54Å | |
C3 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.54Å | 1.54Å | |
C6 | C7 | sing | 1.57Å | 1.57Å | |
C6 | N1 | sing | 1.55Å | 1.55Å | |
C14 | N1 | sing | 1.52Å | 1.52Å | |
C8 | H8 | sing | 1.10Å | 1.10Å | |
C9 | H9C1 | sing | 1.10Å | 1.10Å | |
C9 | H9C2 | sing | 1.10Å | 1.10Å | |
C9 | H9C3 | sing | 1.10Å | 1.10Å | |
C10 | H101 | sing | 1.10Å | 1.10Å | |
C10 | H102 | sing | 1.10Å | 1.10Å | |
C7 | H7C1 | sing | 1.10Å | 1.10Å | |
C7 | H7C2 | sing | 1.10Å | 1.10Å | |
C11 | H11 | sing | 1.10Å | 1.10Å | |
C12 | H121 | sing | 1.10Å | 1.10Å | |
C12 | H122 | sing | 1.10Å | 1.10Å | |
C12 | H123 | sing | 1.10Å | 1.10Å | |
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 | |
C1 | H1C1 | sing | 1.10Å | 1.10Å | |
C1 | H1C2 | sing | 1.10Å | 1.10Å | |
C2 | H2C1 | sing | 1.10Å | 1.10Å | |
C2 | H2C2 | sing | 1.10Å | 1.10Å | |
C3 | H3C1 | sing | 1.10Å | 1.10Å | |
C3 | H3C2 | sing | 1.10Å | 1.10Å | |
C5 | H5C1 | sing | 1.10Å | 1.10Å | |
C5 | H5C2 | sing | 1.10Å | 1.10Å | |
C6 | H6 | sing | 1.10Å | 1.10Å | |
C14 | H141 | sing | 1.10Å | 1.10Å | |
C14 | H142 | sing | 1.10Å | 1.10Å | |
C14 | H143 | sing | 1.10Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | C10 | 110.9° | 110.9° |
C9 | C8 | C7 | 120.2° | 120.2° |
C9 | C8 | H8 | 104.4° | 104.4° |
C8 | C9 | H9C1 | 109.5° | 109.5° |
C8 | C9 | H9C2 | 109.4° | 109.4° |
C8 | C9 | H9C3 | 109.5° | 109.5° |
C10 | C8 | C7 | 118.7° | 118.7° |
C8 | C10 | C11 | 118.4° | 118.4° |
C10 | C8 | H8 | 106.8° | 106.8° |
C8 | C10 | H101 | 106.6° | 106.6° |
C8 | C10 | H102 | 104.6° | 104.6° |
C8 | C7 | C6 | 120.9° | 120.9° |
C7 | C8 | H8 | 91.6° | 91.6° |
C8 | C7 | H7C1 | 105.8° | 105.8° |
C8 | C7 | H7C2 | 103.2° | 103.1° |
C10 | C11 | C12 | 109.3° | 109.3° |
C10 | C11 | C13 | 119.7° | 119.7° |
C11 | C10 | H101 | 106.6° | 106.6° |
C11 | C10 | H102 | 104.5° | 104.5° |
C10 | C11 | H11 | 100.7° | 100.7° |
C12 | C11 | C13 | 103.7° | 103.7° |
C12 | C11 | H11 | 117.5° | 117.6° |
C11 | C12 | H121 | 109.5° | 109.5° |
C11 | C12 | H122 | 109.5° | 109.5° |
C11 | C12 | H123 | 109.5° | 109.5° |
C11 | C13 | C15 | 121.7° | 121.7° |
C11 | C13 | C19 | 121.8° | 121.8° |
C13 | C11 | H11 | 106.6° | 106.6° |
C16 | C15 | C13 | 123.8° | 123.8° |
C15 | C16 | C17 | 118.6° | 118.6° |
C16 | C15 | H15 | 118.1° | 118.1° |
C15 | C16 | H16 | 120.7° | 120.7° |
C15 | C13 | C19 | 116.4° | 116.4° |
C13 | C15 | H15 | 118.1° | 118.1° |
C16 | C17 | C18 | 118.4° | 118.4° |
C17 | C16 | H16 | 120.7° | 120.7° |
C16 | C17 | H17 | 120.8° | 120.8° |
C17 | C18 | C19 | 122.4° | 122.4° |
C18 | C17 | H17 | 120.8° | 120.8° |
C17 | C18 | H18 | 118.8° | 118.8° |
C18 | C19 | C13 | 120.4° | 120.4° |
C19 | C18 | H18 | 118.8° | 118.8° |
C18 | C19 | H19 | 119.8° | 119.8° |
C13 | C19 | H19 | 119.8° | 119.8° |
C2 | C1 | N1 | 120.6° | 120.6° |
C1 | C2 | C3 | 117.3° | 117.3° |
C2 | C1 | H1C1 | 105.9° | 105.9° |
C2 | C1 | H1C2 | 103.4° | 103.3° |
C1 | C2 | H2C1 | 106.9° | 106.9° |
C1 | C2 | H2C2 | 105.1° | 105.1° |
C1 | N1 | C6 | 118.8° | 118.8° |
C1 | N1 | C14 | 107.0° | 107.0° |
N1 | C1 | H1C1 | 105.9° | 105.9° |
N1 | C1 | H1C2 | 103.3° | 103.4° |
C2 | C3 | C5 | 115.3° | 115.3° |
C3 | C2 | H2C1 | 106.9° | 106.9° |
C3 | C2 | H2C2 | 105.1° | 105.1° |
C2 | C3 | H3C1 | 107.6° | 107.6° |
C2 | C3 | H3C2 | 106.2° | 106.2° |
C3 | C5 | C6 | 115.6° | 115.6° |
C5 | C3 | H3C1 | 107.6° | 107.6° |
C5 | C3 | H3C2 | 106.3° | 106.3° |
C3 | C5 | H5C1 | 107.4° | 107.4° |
C3 | C5 | H5C2 | 106.0° | 106.0° |
C5 | C6 | C7 | 118.2° | 118.2° |
C5 | C6 | N1 | 113.7° | 113.7° |
C6 | C5 | H5C1 | 107.5° | 107.5° |
C6 | C5 | H5C2 | 106.1° | 106.1° |
C5 | C6 | H6 | 101.2° | 101.2° |
C7 | C6 | N1 | 114.7° | 114.7° |
C6 | C7 | H7C1 | 105.8° | 105.8° |
C6 | C7 | H7C2 | 103.1° | 103.2° |
C7 | C6 | H6 | 99.8° | 99.8° |
C6 | N1 | C14 | 109.3° | 109.3° |
N1 | C6 | H6 | 106.2° | 106.2° |
N1 | C14 | H141 | 109.5° | 109.5° |
N1 | C14 | H142 | 109.5° | 109.5° |
N1 | C14 | H143 | 109.4° | 109.4° |
H9C1 | C9 | H9C2 | 109.5° | 109.5° |
H9C1 | C9 | H9C3 | 109.5° | 109.5° |
H9C2 | C9 | H9C3 | 109.5° | 109.5° |
H101 | C10 | H102 | 116.7° | 116.7° |
H7C1 | C7 | H7C2 | 119.0° | 119.0° |
H121 | C12 | H122 | 109.4° | 109.4° |
H121 | C12 | H123 | 109.5° | 109.5° |
H122 | C12 | H123 | 109.5° | 109.5° |
H1C1 | C1 | H1C2 | 118.6° | 118.6° |
H2C1 | C2 | H2C2 | 115.8° | 115.8° |
H3C1 | C3 | H3C2 | 114.2° | 114.2° |
H5C1 | C5 | H5C2 | 114.4° | 114.4° |
H141 | C14 | H142 | 109.5° | 109.5° |
H141 | C14 | H143 | 109.5° | 109.5° |
H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | C10 | C7 | 145.4° | 145.4° |
C9 | C8 | C10 | H8 | 113.2° | 113.2° |
C9 | C8 | C7 | H8 | 107.7° | 107.7° |
C9 | C8 | C10 | C11 | 11.9° | 11.9° |
C9 | C8 | C7 | C6 | 79.3° | 79.3° |
C8 | C9 | H9C1 | H9C2 | 120.0° | 120.0° |
C8 | C9 | H9C1 | H9C3 | 120.0° | 120.0° |
C8 | C9 | H9C2 | H9C3 | 120.0° | 120.0° |
C9 | C8 | C10 | H101 | 131.9° | 131.9° |
C9 | C8 | C10 | H102 | 103.9° | 103.9° |
C9 | C8 | C7 | H7C1 | 160.7° | 160.7° |
C9 | C8 | C7 | H7C2 | 35.0° | 35.0° |
C10 | C8 | C7 | H8 | 110.2° | 110.2° |
C8 | C10 | C11 | H101 | 120.0° | 120.0° |
C8 | C10 | C11 | H102 | 115.8° | 115.8° |
C8 | C10 | C11 | C12 | 101.5° | 101.5° |
C8 | C10 | C11 | C13 | 139.2° | 139.2° |
C10 | C8 | C7 | C6 | 138.6° | 138.6° |
C10 | C8 | C9 | H9C1 | 94.3° | 94.3° |
C10 | C8 | C9 | H9C2 | 25.7° | 25.7° |
C10 | C8 | C9 | H9C3 | 145.7° | 145.7° |
C8 | C10 | H101 | H102 | 116.4° | 116.4° |
C10 | C8 | C7 | H7C1 | 18.6° | 18.6° |
C10 | C8 | C7 | H7C2 | 107.1° | 107.1° |
C8 | C10 | C11 | H11 | 22.9° | 22.9° |
C7 | C8 | C10 | C11 | 133.5° | 133.5° |
C8 | C7 | C6 | C5 | 45.7° | 45.7° |
C8 | C7 | C6 | H7C1 | 120.0° | 120.0° |
C8 | C7 | C6 | H7C2 | 114.3° | 114.3° |
C8 | C7 | C6 | N1 | 175.8° | 175.8° |
C7 | C8 | C9 | H9C1 | 50.5° | 50.5° |
C7 | C8 | C9 | H9C2 | 170.5° | 170.5° |
C7 | C8 | C9 | H9C3 | 69.5° | 69.5° |
C7 | C8 | C10 | H101 | 13.5° | 13.5° |
C7 | C8 | C10 | H102 | 110.7° | 110.7° |
C8 | C7 | H7C1 | H7C2 | 115.3° | 115.3° |
C8 | C7 | C6 | H6 | 62.8° | 62.8° |
C10 | C11 | C12 | C13 | 128.7° | 128.7° |
C10 | C11 | C12 | H11 | 113.9° | 113.9° |
C10 | C11 | C13 | H11 | 113.2° | 113.2° |
C10 | C11 | C13 | C15 | 98.5° | 98.5° |
C10 | C11 | C13 | C19 | 85.3° | 85.3° |
C11 | C10 | C8 | H8 | 125.1° | 125.1° |
C11 | C10 | H101 | H102 | 116.3° | 116.3° |
C10 | C11 | C12 | H121 | 12.1° | 12.1° |
C10 | C11 | C12 | H122 | 132.1° | 132.1° |
C10 | C11 | C12 | H123 | 107.9° | 107.9° |
C12 | C11 | C13 | H11 | 124.7° | 124.8° |
C12 | C11 | C13 | C15 | 139.5° | 139.5° |
C12 | C11 | C13 | C19 | 36.7° | 36.7° |
C12 | C11 | C10 | H101 | 18.5° | 18.5° |
C12 | C11 | C10 | H102 | 142.7° | 142.7° |
C11 | C12 | H121 | H122 | 120.0° | 120.0° |
C11 | C12 | H121 | H123 | 120.0° | 120.0° |
C11 | C12 | H122 | H123 | 120.0° | 120.0° |
C11 | C13 | C15 | C16 | 178.1° | 178.1° |
C11 | C13 | C15 | C19 | 176.4° | 176.4° |
C11 | C13 | C19 | C18 | 178.0° | 178.0° |
C13 | C11 | C10 | H101 | 100.8° | 100.8° |
C13 | C11 | C10 | H102 | 23.4° | 23.4° |
C13 | C11 | C12 | H121 | 116.6° | 116.6° |
C13 | C11 | C12 | H122 | 3.4° | 3.4° |
C13 | C11 | C12 | H123 | 123.4° | 123.4° |
C11 | C13 | C15 | H15 | 1.9° | 1.9° |
C11 | C13 | C19 | H19 | 2.0° | 2.0° |
C16 | C15 | C13 | H15 | 180.0° | 180.0° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.4° | 0.4° |
C16 | C15 | C13 | C19 | 1.7° | 1.7° |
C15 | C16 | C17 | H17 | 179.6° | 179.6° |
C13 | C15 | C16 | C17 | 0.7° | 0.7° |
C15 | C13 | C19 | C18 | 1.6° | 1.6° |
C15 | C13 | C11 | H11 | 14.8° | 14.7° |
C13 | C15 | C16 | H16 | 179.3° | 179.4° |
C15 | C13 | C19 | H19 | 178.4° | 178.4° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.5° | 0.5° |
C17 | C16 | C15 | H15 | 179.4° | 179.3° |
C16 | C17 | C18 | H18 | 179.6° | 179.5° |
C17 | C18 | C19 | H18 | 180.0° | 180.0° |
C17 | C18 | C19 | C13 | 0.6° | 0.6° |
C18 | C17 | C16 | H16 | 179.6° | 179.5° |
C17 | C18 | C19 | H19 | 179.4° | 179.4° |
C18 | C19 | C13 | H19 | 180.0° | 180.0° |
C19 | C18 | C17 | H17 | 179.5° | 179.5° |
C19 | C13 | C11 | H11 | 161.5° | 161.5° |
C19 | C13 | C15 | H15 | 178.4° | 178.3° |
C13 | C19 | C18 | H18 | 179.4° | 179.4° |
C2 | C1 | N1 | H1C1 | 120.0° | 120.0° |
C2 | C1 | N1 | H1C2 | 114.6° | 114.5° |
C1 | C2 | C3 | H2C1 | 120.0° | 120.0° |
C1 | C2 | C3 | H2C2 | 116.3° | 116.3° |
C1 | C2 | C3 | C5 | 20.8° | 20.8° |
C2 | C1 | N1 | C6 | 6.4° | 6.4° |
C2 | C1 | N1 | C14 | 130.6° | 130.6° |
C2 | C1 | H1C1 | H1C2 | 115.5° | 115.4° |
C1 | C2 | H2C1 | H2C2 | 116.8° | 116.8° |
C1 | C2 | C3 | H3C1 | 140.8° | 140.8° |
C1 | C2 | C3 | H3C2 | 96.5° | 96.5° |
N1 | C1 | C2 | C3 | 6.0° | 6.0° |
C1 | N1 | C6 | C5 | 19.6° | 19.6° |
C1 | N1 | C6 | C7 | 120.7° | 120.7° |
C1 | N1 | C6 | C14 | 123.1° | 123.1° |
N1 | C1 | H1C1 | H1C2 | 115.4° | 115.4° |
N1 | C1 | C2 | H2C1 | 126.0° | 126.0° |
N1 | C1 | C2 | H2C2 | 110.4° | 110.4° |
C1 | N1 | C6 | H6 | 130.1° | 130.1° |
C1 | N1 | C14 | H141 | 114.5° | 114.5° |
C1 | N1 | C14 | H142 | 125.5° | 125.5° |
C1 | N1 | C14 | H143 | 5.5° | 5.5° |
C2 | C3 | C5 | H3C1 | 120.0° | 120.0° |
C2 | C3 | C5 | H3C2 | 117.4° | 117.4° |
C2 | C3 | C5 | C6 | 48.5° | 48.5° |
C3 | C2 | C1 | H1C1 | 126.0° | 126.0° |
C3 | C2 | C1 | H1C2 | 108.6° | 108.6° |
C3 | C2 | H2C1 | H2C2 | 116.8° | 116.8° |
C2 | C3 | H3C1 | H3C2 | 117.6° | 117.6° |
C2 | C3 | C5 | H5C1 | 71.5° | 71.5° |
C2 | C3 | C5 | H5C2 | 165.7° | 165.7° |
C3 | C5 | C6 | H5C1 | 120.0° | 120.0° |
C3 | C5 | C6 | H5C2 | 117.2° | 117.2° |
C3 | C5 | C6 | C7 | 91.5° | 91.5° |
C3 | C5 | C6 | N1 | 47.4° | 47.4° |
C5 | C3 | C2 | H2C1 | 99.2° | 99.2° |
C5 | C3 | C2 | H2C2 | 137.2° | 137.2° |
C5 | C3 | H3C1 | H3C2 | 117.6° | 117.6° |
C3 | C5 | H5C1 | H5C2 | 117.4° | 117.4° |
C3 | C5 | C6 | H6 | 160.8° | 160.8° |
C5 | C6 | C7 | N1 | 138.5° | 138.5° |
C5 | C6 | C7 | H6 | 108.5° | 108.5° |
C5 | C6 | N1 | H6 | 110.5° | 110.4° |
C5 | C6 | N1 | C14 | 103.4° | 103.4° |
C5 | C6 | C7 | H7C1 | 165.7° | 165.7° |
C5 | C6 | C7 | H7C2 | 68.6° | 68.6° |
C6 | C5 | C3 | H3C1 | 168.5° | 168.5° |
C6 | C5 | C3 | H3C2 | 68.9° | 68.9° |
C6 | C5 | H5C1 | H5C2 | 117.5° | 117.5° |
C7 | C6 | N1 | H6 | 109.2° | 109.2° |
C7 | C6 | N1 | C14 | 116.2° | 116.2° |
C6 | C7 | C8 | H8 | 28.4° | 28.4° |
C6 | C7 | H7C1 | H7C2 | 115.3° | 115.3° |
C7 | C6 | C5 | H5C1 | 148.5° | 148.5° |
C7 | C6 | C5 | H5C2 | 25.7° | 25.7° |
N1 | C6 | C7 | H7C1 | 55.8° | 55.8° |
N1 | C6 | C7 | H7C2 | 69.9° | 69.9° |
C6 | N1 | C1 | H1C1 | 126.4° | 126.4° |
C6 | N1 | C1 | H1C2 | 108.2° | 108.2° |
N1 | C6 | C5 | H5C1 | 72.6° | 72.6° |
N1 | C6 | C5 | H5C2 | 164.6° | 164.6° |
C6 | N1 | C14 | H141 | 15.4° | 15.4° |
C6 | N1 | C14 | H142 | 104.6° | 104.6° |
C6 | N1 | C14 | H143 | 135.4° | 135.4° |
C14 | N1 | C1 | H1C1 | 109.4° | 109.4° |
C14 | N1 | C1 | H1C2 | 16.1° | 16.1° |
C14 | N1 | C6 | H6 | 7.0° | 7.0° |
N1 | C14 | H141 | H142 | 120.0° | 120.0° |
N1 | C14 | H141 | H143 | 120.0° | 120.0° |
N1 | C14 | H142 | H143 | 120.0° | 120.0° |
H8 | C8 | C9 | H9C1 | 151.1° | 151.1° |
H8 | C8 | C9 | H9C2 | 88.9° | 88.9° |
H8 | C8 | C9 | H9C3 | 31.1° | 31.1° |
H8 | C8 | C10 | H101 | 115.0° | 115.0° |
H8 | C8 | C10 | H102 | 9.3° | 9.3° |
H8 | C8 | C7 | H7C1 | 91.6° | 91.6° |
H8 | C8 | C7 | H7C2 | 142.7° | 142.7° |
H9C1 | C9 | H9C2 | H9C3 | 120.0° | 120.0° |
H101 | C10 | C11 | H11 | 142.9° | 142.9° |
H102 | C10 | C11 | H11 | 92.9° | 92.9° |
H7C1 | C7 | C6 | H6 | 57.2° | 57.2° |
H7C2 | C7 | C6 | H6 | 177.1° | 177.1° |
H11 | C11 | C12 | H121 | 126.0° | 126.0° |
H11 | C11 | C12 | H122 | 114.0° | 114.0° |
H11 | C11 | C12 | H123 | 6.0° | 6.0° |
H121 | C12 | H122 | H123 | 120.0° | 120.0° |
H15 | C15 | C16 | H16 | 0.7° | 0.7° |
H16 | C16 | C17 | H17 | 0.4° | 0.5° |
H17 | C17 | C18 | H18 | 0.4° | 0.5° |
H18 | C18 | C19 | H19 | 0.6° | 0.6° |
H1C1 | C1 | C2 | H2C1 | 114.0° | 114.0° |
H1C1 | C1 | C2 | H2C2 | 9.6° | 9.6° |
H1C2 | C1 | C2 | H2C1 | 11.4° | 11.4° |
H1C2 | C1 | C2 | H2C2 | 135.1° | 135.1° |
H2C1 | C2 | C3 | H3C1 | 20.8° | 20.8° |
H2C1 | C2 | C3 | H3C2 | 143.5° | 143.5° |
H2C2 | C2 | C3 | H3C1 | 102.8° | 102.8° |
H2C2 | C2 | C3 | H3C2 | 19.8° | 19.8° |
H3C1 | C3 | C5 | H5C1 | 48.5° | 48.5° |
H3C1 | C3 | C5 | H5C2 | 74.3° | 74.3° |
H3C2 | C3 | C5 | H5C1 | 171.1° | 171.1° |
H3C2 | C3 | C5 | H5C2 | 48.3° | 48.3° |
H5C1 | C5 | C6 | H6 | 40.9° | 40.8° |
H5C2 | C5 | C6 | H6 | 82.0° | 82.0° |
H141 | C14 | H142 | H143 | 120.0° | 120.0° |