L8M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
C24 | C25 | sing | 1.36Å | 1.41Å | Aromatic |
C23 | C22 | sing | 1.36Å | 1.38Å | Aromatic |
F26 | C25 | sing | 1.35Å | 1.29Å | |
C25 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
C22 | C21 | doub | 1.40Å | 1.44Å | Aromatic |
C20 | C21 | sing | 1.42Å | 1.43Å | Aromatic |
C20 | N19 | sing | 1.34Å | 1.42Å | Aromatic |
C21 | C09 | sing | 1.42Å | 1.49Å | Aromatic |
N19 | C11 | doub | 1.32Å | 1.36Å | Aromatic |
C09 | N08 | sing | 1.38Å | 1.50Å | |
C09 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
C11 | N10 | sing | 1.33Å | 1.45Å | Aromatic |
C11 | N12 | sing | 1.38Å | 1.48Å | |
N08 | C07 | sing | 1.40Å | 1.47Å | |
C18 | N12 | sing | 1.47Å | 1.48Å | |
C18 | C17 | sing | 1.53Å | 1.58Å | |
N12 | C13 | sing | 1.47Å | 1.49Å | |
C07 | N27 | doub | 1.31Å | 1.39Å | Aromatic |
C07 | C06 | sing | 1.40Å | 1.46Å | Aromatic |
C17 | N16 | sing | 1.47Å | 1.48Å | |
N27 | N28 | sing | 1.40Å | 1.38Å | Aromatic |
C13 | C14 | sing | 1.53Å | 1.56Å | |
C13 | C15 | sing | 1.53Å | 1.59Å | |
C06 | C05 | doub | 1.35Å | 1.41Å | Aromatic |
N16 | C15 | sing | 1.47Å | 1.49Å | |
N28 | C05 | sing | 1.35Å | 1.40Å | Aromatic |
C05 | C02 | sing | 1.51Å | 1.55Å | |
C02 | C01 | sing | 1.53Å | 1.56Å | |
C02 | C03 | sing | 1.53Å | 1.56Å | |
C02 | C04 | sing | 1.53Å | 1.56Å | |
C17 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C24 | H4 | sing | 1.08Å | 1.08Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
N16 | H8 | sing | 1.01Å | 1.00Å | |
C01 | H10 | sing | 1.09Å | 1.10Å | |
C01 | H11 | sing | 1.09Å | 1.10Å | |
C01 | H12 | sing | 1.09Å | 1.10Å | |
C03 | H13 | sing | 1.09Å | 1.10Å | |
C03 | H14 | sing | 1.09Å | 1.10Å | |
C03 | H15 | sing | 1.09Å | 1.10Å | |
C04 | H16 | sing | 1.09Å | 1.10Å | |
C04 | H17 | sing | 1.09Å | 1.10Å | |
C04 | H18 | sing | 1.09Å | 1.10Å | |
C06 | H19 | sing | 1.08Å | 1.08Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C15 | H21 | sing | 1.09Å | 1.10Å | |
C18 | H22 | sing | 1.09Å | 1.10Å | |
C18 | H23 | sing | 1.09Å | 1.10Å | |
C22 | H24 | sing | 1.08Å | 1.08Å | |
C23 | H25 | sing | 1.08Å | 1.08Å | |
N08 | H26 | sing | 0.97Å | 1.00Å | |
N28 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C24 | C25 | 119.3° | 121.0° |
C24 | C23 | C22 | 120.4° | 120.9° |
C23 | C24 | H4 | 120.3° | 119.5° |
C24 | C23 | H25 | 119.8° | 119.6° |
C24 | C25 | F26 | 118.7° | 120.2° |
C24 | C25 | C20 | 120.8° | 119.5° |
C25 | C24 | H4 | 120.4° | 119.5° |
C23 | C22 | C21 | 122.5° | 119.6° |
C23 | C22 | H24 | 118.7° | 120.2° |
C22 | C23 | H25 | 119.8° | 119.5° |
F26 | C25 | C20 | 120.5° | 120.2° |
C25 | C20 | C21 | 118.1° | 119.3° |
C25 | C20 | N19 | 119.4° | 121.9° |
C22 | C21 | C20 | 118.8° | 119.7° |
C22 | C21 | C09 | 125.5° | 122.0° |
C21 | C22 | H24 | 118.8° | 120.2° |
C21 | C20 | N19 | 122.5° | 118.8° |
C20 | C21 | C09 | 115.7° | 118.3° |
C20 | N19 | C11 | 119.2° | 120.4° |
C21 | C09 | N08 | 119.8° | 120.8° |
C21 | C09 | N10 | 120.9° | 118.4° |
N19 | C11 | N10 | 121.2° | 122.7° |
N19 | C11 | N12 | 119.9° | 118.6° |
N08 | C09 | N10 | 119.3° | 120.8° |
C09 | N08 | C07 | 126.8° | 120.0° |
C09 | N08 | H26 | 116.6° | 120.0° |
C09 | N10 | C11 | 120.5° | 121.4° |
N10 | C11 | N12 | 118.9° | 118.6° |
C11 | N12 | C18 | 121.6° | 111.0° |
C11 | N12 | C13 | 121.1° | 111.0° |
N08 | C07 | N27 | 125.0° | 126.0° |
N08 | C07 | C06 | 129.7° | 126.0° |
C07 | N08 | H26 | 116.6° | 120.0° |
N12 | C18 | C17 | 113.8° | 109.4° |
C18 | N12 | C13 | 117.1° | 110.8° |
N12 | C18 | H22 | 108.4° | 109.5° |
N12 | C18 | H23 | 108.4° | 109.4° |
C18 | C17 | N16 | 114.2° | 109.3° |
C18 | C17 | H1 | 108.3° | 109.5° |
C18 | C17 | H2 | 108.3° | 109.5° |
C17 | C18 | H22 | 108.4° | 109.5° |
C17 | C18 | H23 | 108.4° | 109.5° |
N12 | C13 | C14 | 112.7° | 109.5° |
N12 | C13 | C15 | 112.3° | 109.3° |
N12 | C13 | H3 | 108.1° | 109.5° |
N27 | C07 | C06 | 105.3° | 108.0° |
C07 | N27 | N28 | 107.9° | 108.2° |
C07 | C06 | C05 | 110.3° | 107.8° |
C07 | C06 | H19 | 124.8° | 126.1° |
C17 | N16 | C15 | 109.5° | 110.9° |
N16 | C17 | H1 | 108.3° | 109.5° |
N16 | C17 | H2 | 108.3° | 109.4° |
C17 | N16 | H8 | 109.4° | 110.9° |
N27 | N28 | C05 | 113.1° | 108.0° |
N27 | N28 | H9 | 123.4° | 125.9° |
C14 | C13 | C15 | 109.3° | 109.5° |
C14 | C13 | H3 | 107.2° | 109.5° |
C13 | C14 | H5 | 109.5° | 109.5° |
C13 | C14 | H6 | 109.4° | 109.5° |
C13 | C14 | H7 | 109.5° | 109.5° |
C13 | C15 | N16 | 115.5° | 109.4° |
C15 | C13 | H3 | 106.9° | 109.5° |
C13 | C15 | H20 | 107.9° | 109.5° |
C13 | C15 | H21 | 107.9° | 109.5° |
C06 | C05 | N28 | 103.4° | 107.9° |
C06 | C05 | C02 | 131.2° | 126.0° |
C05 | C06 | H19 | 124.8° | 126.1° |
C15 | N16 | H8 | 109.5° | 111.0° |
N16 | C15 | H20 | 108.0° | 109.5° |
N16 | C15 | H21 | 108.0° | 109.5° |
N28 | C05 | C02 | 125.4° | 126.1° |
C05 | N28 | H9 | 123.4° | 126.0° |
C05 | C02 | C01 | 109.1° | 109.5° |
C05 | C02 | C03 | 113.5° | 109.5° |
C05 | C02 | C04 | 109.1° | 109.4° |
C01 | C02 | C03 | 108.4° | 109.5° |
C01 | C02 | C04 | 108.5° | 109.5° |
C02 | C01 | H10 | 109.5° | 109.5° |
C02 | C01 | H11 | 109.5° | 109.5° |
C02 | C01 | H12 | 109.5° | 109.5° |
C03 | C02 | C04 | 108.1° | 109.5° |
C02 | C03 | H13 | 109.5° | 109.5° |
C02 | C03 | H14 | 109.5° | 109.5° |
C02 | C03 | H15 | 109.5° | 109.4° |
C02 | C04 | H16 | 109.5° | 109.5° |
C02 | C04 | H17 | 109.5° | 109.5° |
C02 | C04 | H18 | 109.5° | 109.5° |
H1 | C17 | H2 | 109.4° | 109.5° |
H5 | C14 | H6 | 109.5° | 109.5° |
H5 | C14 | H7 | 109.5° | 109.5° |
H6 | C14 | H7 | 109.5° | 109.4° |
H10 | C01 | H11 | 109.5° | 109.5° |
H10 | C01 | H12 | 109.5° | 109.5° |
H11 | C01 | H12 | 109.5° | 109.4° |
H13 | C03 | H14 | 109.4° | 109.5° |
H13 | C03 | H15 | 109.4° | 109.5° |
H14 | C03 | H15 | 109.5° | 109.5° |
H16 | C04 | H17 | 109.5° | 109.5° |
H16 | C04 | H18 | 109.4° | 109.4° |
H17 | C04 | H18 | 109.5° | 109.5° |
H20 | C15 | H21 | 109.5° | 109.4° |
H22 | C18 | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C24 | C25 | H4 | 180.0° | 179.8° |
C24 | C23 | C22 | H25 | 180.0° | 179.7° |
C23 | C24 | C25 | F26 | 180.0° | 180.0° |
C23 | C24 | C25 | C20 | 0.0° | 0.1° |
C24 | C23 | C22 | C21 | 0.1° | 0.6° |
C24 | C23 | C22 | H24 | 179.9° | 180.0° |
C25 | C24 | C23 | C22 | 0.1° | 0.2° |
C24 | C25 | F26 | C20 | 180.0° | 179.9° |
C24 | C25 | C20 | C21 | 0.0° | 0.0° |
C24 | C25 | C20 | N19 | 180.0° | 179.7° |
C25 | C24 | C23 | H25 | 179.9° | 179.9° |
C23 | C22 | C21 | H24 | 180.0° | 179.4° |
C23 | C22 | C21 | C20 | 0.1° | 0.6° |
C23 | C22 | C21 | C09 | 180.0° | 179.5° |
C22 | C23 | C24 | H4 | 179.9° | 180.0° |
F26 | C25 | C20 | C21 | 180.0° | 180.0° |
F26 | C25 | C20 | N19 | 0.0° | 0.2° |
F26 | C25 | C24 | H4 | 0.0° | 0.2° |
C25 | C20 | C21 | C22 | 0.1° | 0.3° |
C25 | C20 | C21 | N19 | 180.0° | 179.8° |
C25 | C20 | C21 | C09 | 180.0° | 179.8° |
C25 | C20 | N19 | C11 | 180.0° | 179.7° |
C20 | C25 | C24 | H4 | 180.0° | 179.7° |
C22 | C21 | C20 | C09 | 180.0° | 180.0° |
C22 | C21 | C20 | N19 | 180.0° | 180.0° |
C22 | C21 | C09 | N08 | 0.0° | 0.0° |
C22 | C21 | C09 | N10 | 180.0° | 180.0° |
C21 | C22 | C23 | H25 | 179.9° | 179.7° |
C21 | C20 | N19 | C11 | 0.1° | 0.0° |
C20 | C21 | C09 | N08 | 180.0° | 180.0° |
C20 | C21 | C09 | N10 | 0.0° | 0.0° |
C20 | C21 | C22 | H24 | 179.9° | 180.0° |
N19 | C20 | C21 | C09 | 0.0° | 0.0° |
C20 | N19 | C11 | N10 | 0.0° | 0.0° |
C20 | N19 | C11 | N12 | 180.0° | 180.0° |
C21 | C09 | N08 | N10 | 180.0° | 180.0° |
C21 | C09 | N10 | C11 | 0.0° | 0.0° |
C21 | C09 | N08 | C07 | 164.0° | 180.0° |
C09 | C21 | C22 | H24 | 0.0° | 0.0° |
C21 | C09 | N08 | H26 | 16.0° | 0.1° |
N19 | C11 | N10 | C09 | 0.0° | 0.0° |
N19 | C11 | N10 | N12 | 180.0° | 180.0° |
N19 | C11 | N12 | C18 | 1.1° | 123.8° |
N19 | C11 | N12 | C13 | 173.8° | 0.1° |
N08 | C09 | N10 | C11 | 180.0° | 180.0° |
C09 | N08 | C07 | H26 | 180.0° | 179.9° |
C09 | N08 | C07 | N27 | 179.5° | 179.9° |
C09 | N08 | C07 | C06 | 0.5° | 0.3° |
C09 | N10 | C11 | N12 | 180.0° | 180.0° |
N10 | C09 | N08 | C07 | 16.0° | 0.0° |
N10 | C09 | N08 | H26 | 164.0° | 179.9° |
N10 | C11 | N12 | C18 | 178.9° | 56.2° |
N10 | C11 | N12 | C13 | 6.2° | 180.0° |
C11 | N12 | C18 | C13 | 175.1° | 123.8° |
C11 | N12 | C18 | C17 | 144.4° | 176.8° |
C11 | N12 | C13 | C14 | 90.8° | 63.2° |
C11 | N12 | C13 | C15 | 145.2° | 176.8° |
C11 | N12 | C13 | H3 | 27.6° | 56.9° |
C11 | N12 | C18 | H22 | 23.8° | 63.2° |
C11 | N12 | C18 | H23 | 95.0° | 56.9° |
N08 | C07 | N27 | C06 | 180.0° | 179.8° |
N08 | C07 | N27 | N28 | 180.0° | 180.0° |
N08 | C07 | C06 | C05 | 180.0° | 179.7° |
N08 | C07 | C06 | H19 | 0.0° | 0.2° |
N12 | C18 | C17 | H22 | 120.6° | 120.0° |
N12 | C18 | C17 | H23 | 120.6° | 119.9° |
N12 | C18 | C17 | N16 | 47.8° | 58.4° |
C18 | N12 | C13 | C14 | 84.3° | 60.6° |
C18 | N12 | C13 | C15 | 39.7° | 59.4° |
N12 | C18 | C17 | H1 | 73.0° | 178.4° |
N12 | C18 | C17 | H2 | 168.5° | 61.5° |
C18 | N12 | C13 | H3 | 157.3° | 179.3° |
N12 | C18 | H22 | H23 | 118.0° | 120.0° |
C17 | C18 | N12 | C13 | 40.5° | 59.4° |
C18 | C17 | N16 | H1 | 120.7° | 120.0° |
C18 | C17 | N16 | H2 | 120.7° | 120.0° |
C18 | C17 | N16 | C15 | 53.6° | 59.3° |
C18 | C17 | H1 | H2 | 117.8° | 120.1° |
C18 | C17 | N16 | H8 | 173.6° | 176.8° |
C17 | C18 | H22 | H23 | 118.1° | 120.1° |
N12 | C13 | C14 | C15 | 125.6° | 119.9° |
N12 | C13 | C14 | H3 | 118.8° | 120.1° |
N12 | C13 | C15 | H3 | 118.4° | 119.9° |
N12 | C13 | C15 | N16 | 47.2° | 58.4° |
N12 | C13 | C14 | H5 | 180.0° | 59.9° |
N12 | C13 | C14 | H6 | 60.0° | 60.1° |
N12 | C13 | C14 | H7 | 60.0° | 179.9° |
N12 | C13 | C15 | H20 | 168.1° | 178.4° |
N12 | C13 | C15 | H21 | 73.7° | 61.6° |
C13 | N12 | C18 | H22 | 161.2° | 60.6° |
C13 | N12 | C18 | H23 | 80.1° | 179.3° |
N27 | C07 | C06 | C05 | 0.0° | 0.0° |
C07 | N27 | N28 | C05 | 0.0° | 0.3° |
N27 | C07 | C06 | H19 | 180.0° | 180.0° |
N27 | C07 | N08 | H26 | 0.4° | 0.0° |
C07 | N27 | N28 | H9 | 180.0° | 179.9° |
C06 | C07 | N27 | N28 | 0.0° | 0.2° |
C07 | C06 | C05 | H19 | 180.0° | 180.0° |
C07 | C06 | C05 | N28 | 0.0° | 0.2° |
C07 | C06 | C05 | C02 | 180.0° | 180.0° |
C06 | C07 | N08 | H26 | 179.5° | 179.7° |
C17 | N16 | C15 | C13 | 54.0° | 59.3° |
C17 | N16 | C15 | H8 | 120.0° | 123.8° |
N16 | C17 | H1 | H2 | 117.8° | 120.0° |
C17 | N16 | C15 | H20 | 174.9° | 179.3° |
C17 | N16 | C15 | H21 | 66.8° | 60.7° |
N16 | C17 | C18 | H22 | 168.4° | 61.6° |
N16 | C17 | C18 | H23 | 72.9° | 178.3° |
N27 | N28 | C05 | C06 | 0.0° | 0.4° |
N27 | N28 | C05 | H9 | 180.0° | 179.7° |
N27 | N28 | C05 | C02 | 180.0° | 179.9° |
C14 | C13 | C15 | H3 | 115.8° | 120.1° |
C14 | C13 | C15 | N16 | 78.7° | 61.6° |
C13 | C14 | H5 | H6 | 120.0° | 120.0° |
C13 | C14 | H5 | H7 | 120.0° | 120.1° |
C13 | C14 | H6 | H7 | 120.0° | 120.0° |
C14 | C13 | C15 | H20 | 42.2° | 58.4° |
C14 | C13 | C15 | H21 | 160.4° | 178.4° |
C13 | C15 | N16 | H20 | 120.9° | 120.0° |
C13 | C15 | N16 | H21 | 120.9° | 120.0° |
C15 | C13 | C14 | H5 | 54.4° | 60.0° |
C15 | C13 | C14 | H6 | 65.6° | 180.0° |
C15 | C13 | C14 | H7 | 174.4° | 60.0° |
C13 | C15 | N16 | H8 | 174.0° | 176.9° |
C13 | C15 | H20 | H21 | 117.2° | 120.0° |
C06 | C05 | N28 | C02 | 180.0° | 179.8° |
C06 | C05 | C02 | C01 | 0.4° | 60.0° |
C06 | C05 | C02 | C03 | 121.4° | 60.0° |
C06 | C05 | C02 | C04 | 118.0° | 180.0° |
C06 | C05 | N28 | H9 | 180.0° | 179.9° |
C15 | N16 | C17 | H1 | 67.1° | 179.3° |
C15 | N16 | C17 | H2 | 174.4° | 60.6° |
N16 | C15 | C13 | H3 | 165.5° | 178.4° |
N16 | C15 | H20 | H21 | 117.3° | 120.0° |
N28 | C05 | C02 | C01 | 179.5° | 120.2° |
N28 | C05 | C02 | C03 | 58.5° | 119.7° |
N28 | C05 | C02 | C04 | 62.0° | 0.3° |
N28 | C05 | C06 | H19 | 180.0° | 179.8° |
C05 | C02 | C01 | C03 | 124.1° | 120.0° |
C05 | C02 | C01 | C04 | 118.8° | 120.0° |
C05 | C02 | C03 | C04 | 121.1° | 119.9° |
C05 | C02 | C01 | H10 | 180.0° | 60.0° |
C05 | C02 | C01 | H11 | 60.0° | 60.0° |
C05 | C02 | C01 | H12 | 60.0° | 180.0° |
C05 | C02 | C03 | H13 | 180.0° | 180.0° |
C05 | C02 | C03 | H14 | 60.0° | 60.0° |
C05 | C02 | C03 | H15 | 60.0° | 60.0° |
C05 | C02 | C04 | H16 | 180.0° | 60.1° |
C05 | C02 | C04 | H17 | 60.0° | 60.0° |
C05 | C02 | C04 | H18 | 60.0° | 180.0° |
C02 | C05 | C06 | H19 | 0.1° | 0.0° |
C02 | C05 | N28 | H9 | 0.0° | 0.1° |
C01 | C02 | C03 | C04 | 117.4° | 120.0° |
C02 | C01 | H10 | H11 | 120.0° | 120.1° |
C02 | C01 | H10 | H12 | 120.0° | 120.0° |
C02 | C01 | H11 | H12 | 120.0° | 120.0° |
C01 | C02 | C03 | H13 | 58.6° | 60.0° |
C01 | C02 | C03 | H14 | 61.4° | 180.0° |
C01 | C02 | C03 | H15 | 178.6° | 60.0° |
C01 | C02 | C04 | H16 | 61.2° | 59.9° |
C01 | C02 | C04 | H17 | 178.7° | 180.0° |
C01 | C02 | C04 | H18 | 58.8° | 60.0° |
C03 | C02 | C01 | H10 | 55.9° | 60.0° |
C03 | C02 | C01 | H11 | 175.9° | 180.0° |
C03 | C02 | C01 | H12 | 64.1° | 60.0° |
C02 | C03 | H13 | H14 | 120.0° | 120.0° |
C02 | C03 | H13 | H15 | 120.0° | 120.0° |
C02 | C03 | H14 | H15 | 120.0° | 120.0° |
C03 | C02 | C04 | H16 | 56.1° | 180.0° |
C03 | C02 | C04 | H17 | 63.9° | 60.0° |
C03 | C02 | C04 | H18 | 176.1° | 60.0° |
C04 | C02 | C01 | H10 | 61.3° | 180.0° |
C04 | C02 | C01 | H11 | 58.8° | 59.9° |
C04 | C02 | C01 | H12 | 178.7° | 60.0° |
C04 | C02 | C03 | H13 | 58.9° | 60.1° |
C04 | C02 | C03 | H14 | 178.8° | 60.0° |
C04 | C02 | C03 | H15 | 61.1° | 180.0° |
C02 | C04 | H16 | H17 | 120.0° | 120.0° |
C02 | C04 | H16 | H18 | 120.0° | 120.0° |
C02 | C04 | H17 | H18 | 120.0° | 120.0° |
H1 | C17 | N16 | H8 | 52.9° | 56.9° |
H1 | C17 | C18 | H22 | 47.7° | 58.4° |
H1 | C17 | C18 | H23 | 166.4° | 61.7° |
H2 | C17 | N16 | H8 | 65.7° | 63.2° |
H2 | C17 | C18 | H22 | 70.9° | 178.5° |
H2 | C17 | C18 | H23 | 47.8° | 58.4° |
H3 | C13 | C14 | H5 | 61.2° | 180.0° |
H3 | C13 | C14 | H6 | 178.8° | 60.0° |
H3 | C13 | C14 | H7 | 58.8° | 60.0° |
H3 | C13 | C15 | H20 | 73.6° | 61.6° |
H3 | C13 | C15 | H21 | 44.6° | 58.4° |
H4 | C24 | C23 | H25 | 0.1° | 0.3° |
H5 | C14 | H6 | H7 | 120.0° | 120.0° |
H8 | N16 | C15 | H20 | 65.1° | 56.9° |
H8 | N16 | C15 | H21 | 53.1° | 63.1° |
H10 | C01 | H11 | H12 | 120.0° | 120.0° |
H13 | C03 | H14 | H15 | 120.0° | 120.0° |
H16 | C04 | H17 | H18 | 120.0° | 120.0° |
H24 | C22 | C23 | H25 | 0.1° | 0.3° |