L10
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL16 | C15 | sing | 1.74Å | 1.77Å | |
C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C12 | N11 | sing | 1.40Å | 1.40Å | |
N11 | C9 | sing | 1.35Å | 1.33Å | |
N11 | H11 | sing | 0.97Å | 1.00Å | |
C9 | O10 | doub | 1.22Å | 1.22Å | |
C9 | N8 | sing | 1.34Å | 1.34Å | |
N8 | C7 | doub | 1.33Å | 1.37Å | |
C7 | C6 | sing | 1.41Å | 1.37Å | Aromatic |
C7 | N19 | sing | 1.38Å | 1.33Å | Aromatic |
C6 | C5 | doub | 1.35Å | 1.38Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N19 | N20 | sing | 1.40Å | 1.39Å | Aromatic |
N19 | C21 | sing | 1.40Å | 1.35Å | Aromatic |
N20 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
N20 | H20 | sing | 0.97Å | 1.00Å | |
C5 | C2 | sing | 1.51Å | 1.51Å | |
C2 | C4 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C4 | H4C1 | sing | 1.09Å | 1.10Å | |
C4 | H4C2 | sing | 1.09Å | 1.10Å | |
C4 | H4C3 | sing | 1.09Å | 1.10Å | |
C3 | H3C1 | sing | 1.09Å | 1.10Å | |
C3 | H3C2 | sing | 1.09Å | 1.10Å | |
C3 | H3C3 | sing | 1.09Å | 1.10Å | |
C1 | H1C1 | sing | 1.09Å | 1.10Å | |
C1 | H1C2 | sing | 1.09Å | 1.10Å | |
C1 | H1C3 | sing | 1.09Å | 1.10Å | |
C21 | C26 | doub | 1.39Å | 1.26Å | Aromatic |
C21 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
C26 | C25 | sing | 1.38Å | 1.26Å | Aromatic |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL16 | C15 | C14 | 120.3° | 119.9° |
CL16 | C15 | C17 | 117.4° | 119.9° |
C14 | C15 | C17 | 122.3° | 120.1° |
C15 | C14 | C13 | 118.5° | 120.1° |
C15 | C14 | H14 | 120.8° | 119.9° |
C15 | C17 | C18 | 118.7° | 120.0° |
C15 | C17 | H17 | 120.6° | 120.0° |
C13 | C14 | H14 | 120.8° | 120.0° |
C14 | C13 | C12 | 120.1° | 119.9° |
C14 | C13 | H13 | 120.0° | 120.0° |
C12 | C13 | H13 | 120.0° | 120.1° |
C13 | C12 | C18 | 120.2° | 119.9° |
C13 | C12 | N11 | 117.5° | 120.0° |
C18 | C17 | H17 | 120.6° | 119.9° |
C17 | C18 | C12 | 120.2° | 120.0° |
C17 | C18 | H18 | 119.9° | 120.0° |
C12 | C18 | H18 | 119.9° | 120.0° |
C18 | C12 | N11 | 122.3° | 120.1° |
C12 | N11 | C9 | 131.0° | 120.0° |
C12 | N11 | H11 | 114.5° | 120.0° |
C9 | N11 | H11 | 114.5° | 120.0° |
N11 | C9 | O10 | 123.4° | 120.0° |
N11 | C9 | N8 | 113.1° | 120.0° |
O10 | C9 | N8 | 123.5° | 120.0° |
C9 | N8 | C7 | 126.7° | 120.0° |
N8 | C7 | C6 | 124.5° | 126.4° |
N8 | C7 | N19 | 125.2° | 126.4° |
C6 | C7 | N19 | 110.2° | 107.2° |
C7 | C6 | C5 | 101.9° | 108.3° |
C7 | C6 | H6 | 129.0° | 125.9° |
C7 | N19 | N20 | 111.1° | 107.2° |
C7 | N19 | C21 | 125.6° | 126.4° |
C5 | C6 | H6 | 129.0° | 125.9° |
C6 | C5 | N20 | 115.0° | 108.9° |
C6 | C5 | C2 | 121.9° | 125.5° |
N20 | N19 | C21 | 123.3° | 126.4° |
N19 | N20 | C5 | 101.7° | 108.3° |
N19 | N20 | H20 | 112.1° | 125.9° |
N19 | C21 | C26 | 122.6° | 120.1° |
N19 | C21 | C22 | 134.9° | 120.0° |
C5 | N20 | H20 | 112.2° | 125.8° |
N20 | C5 | C2 | 123.0° | 125.6° |
C5 | C2 | C4 | 112.0° | 109.5° |
C5 | C2 | C3 | 104.9° | 109.4° |
C5 | C2 | C1 | 109.5° | 109.5° |
C4 | C2 | C3 | 110.0° | 109.5° |
C4 | C2 | C1 | 109.5° | 109.5° |
C2 | C4 | H4C1 | 109.5° | 109.5° |
C2 | C4 | H4C2 | 109.5° | 109.5° |
C2 | C4 | H4C3 | 109.5° | 109.4° |
C3 | C2 | C1 | 111.0° | 109.5° |
C2 | C3 | H3C1 | 109.4° | 109.5° |
C2 | C3 | H3C2 | 109.5° | 109.5° |
C2 | C3 | H3C3 | 109.5° | 109.5° |
C2 | C1 | H1C1 | 109.4° | 109.5° |
C2 | C1 | H1C2 | 109.5° | 109.5° |
C2 | C1 | H1C3 | 109.5° | 109.5° |
H4C1 | C4 | H4C2 | 109.5° | 109.5° |
H4C1 | C4 | H4C3 | 109.4° | 109.5° |
H4C2 | C4 | H4C3 | 109.4° | 109.4° |
H3C1 | C3 | H3C2 | 109.5° | 109.4° |
H3C1 | C3 | H3C3 | 109.5° | 109.5° |
H3C2 | C3 | H3C3 | 109.5° | 109.5° |
H1C1 | C1 | H1C2 | 109.5° | 109.5° |
H1C1 | C1 | H1C3 | 109.5° | 109.5° |
H1C2 | C1 | H1C3 | 109.5° | 109.5° |
C26 | C21 | C22 | 102.6° | 119.9° |
C21 | C26 | C25 | 152.5° | 119.9° |
C21 | C26 | H26 | 103.8° | 120.1° |
C21 | C22 | C23 | 120.0° | 119.9° |
C21 | C22 | H22 | 120.0° | 120.1° |
C25 | C26 | H26 | 103.7° | 120.0° |
C26 | C25 | C24 | 106.2° | 120.1° |
C26 | C25 | H25 | 126.9° | 120.0° |
C24 | C25 | H25 | 126.9° | 119.9° |
C25 | C24 | C23 | 117.4° | 120.1° |
C25 | C24 | H24 | 121.3° | 120.0° |
C23 | C24 | H24 | 121.3° | 119.9° |
C24 | C23 | C22 | 121.4° | 120.1° |
C24 | C23 | H23 | 119.3° | 120.0° |
C22 | C23 | H23 | 119.3° | 120.0° |
C23 | C22 | H22 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL16 | C15 | C14 | C17 | 178.8° | 180.0° |
CL16 | C15 | C14 | C13 | 178.7° | 180.0° |
CL16 | C15 | C14 | H14 | 1.3° | 0.0° |
CL16 | C15 | C17 | C18 | 178.8° | 179.7° |
CL16 | C15 | C17 | H17 | 1.2° | 0.0° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C15 | C14 | C13 | C12 | 0.5° | 0.0° |
C15 | C14 | C13 | H13 | 179.5° | 180.0° |
C14 | C15 | C17 | C18 | 0.1° | 0.4° |
C14 | C15 | C17 | H17 | 179.9° | 180.0° |
C17 | C15 | C14 | C13 | 0.1° | 0.0° |
C17 | C15 | C14 | H14 | 179.9° | 179.9° |
C15 | C17 | C18 | H17 | 180.0° | 179.6° |
C15 | C17 | C18 | C12 | 0.5° | 0.6° |
C15 | C17 | C18 | H18 | 179.5° | 180.0° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C18 | 0.9° | 0.3° |
C14 | C13 | C12 | N11 | 178.4° | 180.0° |
H14 | C14 | C13 | C12 | 179.5° | 180.0° |
H14 | C14 | C13 | H13 | 0.5° | 0.0° |
C13 | C12 | C18 | C17 | 0.9° | 0.6° |
C13 | C12 | C18 | N11 | 177.5° | 179.7° |
C13 | C12 | C18 | H18 | 179.2° | 180.0° |
C13 | C12 | N11 | C9 | 147.7° | 33.3° |
C13 | C12 | N11 | H11 | 32.3° | 146.7° |
H13 | C13 | C12 | C18 | 179.1° | 179.7° |
H13 | C13 | C12 | N11 | 1.5° | 0.0° |
C17 | C18 | C12 | H18 | 180.0° | 179.4° |
C17 | C18 | C12 | N11 | 178.3° | 179.7° |
H17 | C17 | C18 | C12 | 179.5° | 179.7° |
H17 | C17 | C18 | H18 | 0.4° | 0.3° |
C18 | C12 | N11 | C9 | 34.8° | 146.4° |
C18 | C12 | N11 | H11 | 145.2° | 33.6° |
H18 | C18 | C12 | N11 | 1.7° | 0.3° |
C12 | N11 | C9 | H11 | 180.0° | 180.0° |
C12 | N11 | C9 | O10 | 2.0° | 5.7° |
C12 | N11 | C9 | N8 | 178.3° | 174.3° |
N11 | C9 | O10 | N8 | 179.7° | 180.0° |
N11 | C9 | N8 | C7 | 177.9° | 180.0° |
H11 | N11 | C9 | O10 | 178.0° | 174.3° |
H11 | N11 | C9 | N8 | 1.7° | 5.7° |
O10 | C9 | N8 | C7 | 1.9° | 0.0° |
C9 | N8 | C7 | C6 | 39.2° | 0.0° |
C9 | N8 | C7 | N19 | 145.0° | 180.0° |
N8 | C7 | C6 | N19 | 176.4° | 180.0° |
N8 | C7 | C6 | C5 | 178.8° | 180.0° |
N8 | C7 | C6 | H6 | 1.2° | 0.0° |
N8 | C7 | N19 | N20 | 178.3° | 179.7° |
N8 | C7 | N19 | C21 | 3.5° | 0.0° |
C7 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | C7 | N19 | N20 | 1.9° | 0.3° |
C6 | C7 | N19 | C21 | 179.8° | 180.0° |
C7 | C6 | C5 | N20 | 2.3° | 0.2° |
C7 | C6 | C5 | C2 | 179.7° | 180.0° |
N19 | C7 | C6 | C5 | 2.4° | 0.1° |
N19 | C7 | C6 | H6 | 177.6° | 179.9° |
C7 | N19 | N20 | C21 | 178.3° | 179.7° |
C7 | N19 | N20 | C5 | 0.4° | 0.5° |
C7 | N19 | N20 | H20 | 120.4° | 180.0° |
C7 | N19 | C21 | C26 | 134.5° | 40.0° |
C7 | N19 | C21 | C22 | 46.0° | 140.3° |
C6 | C5 | N20 | N19 | 1.2° | 0.4° |
C6 | C5 | N20 | C2 | 177.4° | 179.8° |
C6 | C5 | N20 | H20 | 118.8° | 180.0° |
C6 | C5 | C2 | C4 | 42.7° | 0.0° |
C6 | C5 | C2 | C3 | 76.6° | 120.0° |
C6 | C5 | C2 | C1 | 164.2° | 120.0° |
H6 | C6 | C5 | N20 | 177.7° | 179.8° |
H6 | C6 | C5 | C2 | 0.3° | 0.0° |
N19 | N20 | C5 | H20 | 120.0° | 179.5° |
N19 | N20 | C5 | C2 | 178.6° | 179.8° |
N20 | N19 | C21 | C26 | 47.5° | 139.6° |
N20 | N19 | C21 | C22 | 132.1° | 40.0° |
C21 | N19 | N20 | C5 | 178.7° | 179.8° |
C21 | N19 | N20 | H20 | 61.2° | 0.3° |
N19 | C21 | C26 | C22 | 179.7° | 179.6° |
N19 | C21 | C26 | C25 | 179.8° | 180.0° |
N19 | C21 | C26 | H26 | 0.2° | 0.1° |
N19 | C21 | C22 | C23 | 180.0° | 179.7° |
N19 | C21 | C22 | H22 | 0.0° | 0.4° |
N20 | C5 | C2 | C4 | 140.1° | 179.7° |
N20 | C5 | C2 | C3 | 100.6° | 59.7° |
N20 | C5 | C2 | C1 | 18.6° | 60.3° |
H20 | N20 | C5 | C2 | 58.6° | 0.3° |
C5 | C2 | C4 | C3 | 116.2° | 120.0° |
C5 | C2 | C4 | C1 | 121.6° | 120.0° |
C5 | C2 | C3 | C1 | 118.2° | 120.0° |
C5 | C2 | C4 | H4C1 | 58.6° | 60.0° |
C5 | C2 | C4 | H4C2 | 61.4° | 60.1° |
C5 | C2 | C4 | H4C3 | 178.6° | 180.0° |
C5 | C2 | C3 | H3C1 | 127.7° | 180.0° |
C5 | C2 | C3 | H3C2 | 112.2° | 60.0° |
C5 | C2 | C3 | H3C3 | 7.8° | 60.0° |
C5 | C2 | C1 | H1C1 | 63.5° | 60.0° |
C5 | C2 | C1 | H1C2 | 56.5° | 60.0° |
C5 | C2 | C1 | H1C3 | 176.5° | 180.0° |
C4 | C2 | C3 | C1 | 121.3° | 120.0° |
C2 | C4 | H4C1 | H4C2 | 120.0° | 120.1° |
C2 | C4 | H4C1 | H4C3 | 120.0° | 120.0° |
C2 | C4 | H4C2 | H4C3 | 120.0° | 120.0° |
C4 | C2 | C3 | H3C1 | 7.2° | 60.0° |
C4 | C2 | C3 | H3C2 | 127.2° | 180.0° |
C4 | C2 | C3 | H3C3 | 112.8° | 60.0° |
C4 | C2 | C1 | H1C1 | 59.6° | 60.0° |
C4 | C2 | C1 | H1C2 | 179.6° | 180.0° |
C4 | C2 | C1 | H1C3 | 60.4° | 60.0° |
C3 | C2 | C4 | H4C1 | 57.6° | 60.0° |
C3 | C2 | C4 | H4C2 | 177.6° | 180.0° |
C3 | C2 | C4 | H4C3 | 62.4° | 60.0° |
C2 | C3 | H3C1 | H3C2 | 120.0° | 120.0° |
C2 | C3 | H3C1 | H3C3 | 120.0° | 120.0° |
C2 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
C3 | C2 | C1 | H1C1 | 178.8° | 180.0° |
C3 | C2 | C1 | H1C2 | 58.8° | 60.0° |
C3 | C2 | C1 | H1C3 | 61.2° | 60.0° |
C1 | C2 | C4 | H4C1 | 179.8° | 180.0° |
C1 | C2 | C4 | H4C2 | 60.2° | 59.9° |
C1 | C2 | C4 | H4C3 | 59.8° | 60.0° |
C1 | C2 | C3 | H3C1 | 114.1° | 60.0° |
C1 | C2 | C3 | H3C2 | 5.9° | 60.0° |
C1 | C2 | C3 | H3C3 | 125.9° | 180.0° |
C2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
C2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
C2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
H4C1 | C4 | H4C2 | H4C3 | 120.0° | 120.0° |
H3C1 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
C21 | C26 | C25 | H26 | 180.0° | 179.9° |
C21 | C26 | C25 | C24 | 0.1° | 0.1° |
C21 | C26 | C25 | H25 | 179.9° | 179.9° |
C26 | C21 | C22 | C23 | 0.4° | 0.7° |
C26 | C21 | C22 | H22 | 179.6° | 180.0° |
C22 | C21 | C26 | C25 | 0.1° | 0.4° |
C22 | C21 | C26 | H26 | 179.9° | 179.8° |
C21 | C22 | C23 | C24 | 0.5° | 0.6° |
C21 | C22 | C23 | H22 | 180.0° | 179.3° |
C21 | C22 | C23 | H23 | 179.5° | 179.7° |
C26 | C25 | C24 | H25 | 180.0° | 180.0° |
C26 | C25 | C24 | C23 | 0.0° | 0.1° |
C26 | C25 | C24 | H24 | 180.0° | 180.0° |
H26 | C26 | C25 | C24 | 179.9° | 179.9° |
H26 | C26 | C25 | H25 | 0.1° | 0.1° |
C25 | C24 | C23 | H24 | 180.0° | 180.0° |
C25 | C24 | C23 | C22 | 0.2° | 0.3° |
C25 | C24 | C23 | H23 | 179.8° | 180.0° |
H25 | C25 | C24 | C23 | 180.0° | 179.9° |
H25 | C25 | C24 | H24 | 0.0° | 0.0° |
C24 | C23 | C22 | H23 | 180.0° | 179.7° |
C24 | C23 | C22 | H22 | 179.5° | 180.0° |
H24 | C24 | C23 | C22 | 179.8° | 179.7° |
H24 | C24 | C23 | H23 | 0.2° | 0.0° |
H23 | C23 | C22 | H22 | 0.4° | 0.4° |