L8C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | N02 | sing | 1.47Å | 1.31Å | |
O16 | N15 | sing | 1.42Å | 1.44Å | |
N15 | C13 | sing | 1.35Å | 1.49Å | |
N02 | C03 | sing | 1.47Å | 1.37Å | |
N02 | C18 | sing | 1.47Å | 1.37Å | |
C03 | C04 | sing | 1.53Å | 1.53Å | |
C18 | C17 | sing | 1.53Å | 1.54Å | |
C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.43Å | Aromatic |
C13 | C10 | sing | 1.48Å | 1.53Å | |
C13 | O14 | doub | 1.22Å | 1.15Å | |
C04 | N05 | sing | 1.47Å | 1.36Å | |
N05 | C17 | sing | 1.47Å | 1.36Å | |
N05 | C06 | sing | 1.47Å | 1.31Å | |
C10 | C11 | doub | 1.40Å | 1.45Å | Aromatic |
C07 | C06 | sing | 1.51Å | 1.55Å | |
C07 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C03 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C06 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.08Å | 1.08Å | |
C09 | H13 | sing | 1.08Å | 1.08Å | |
C11 | H14 | sing | 1.08Å | 1.08Å | |
C12 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H16 | sing | 1.09Å | 1.10Å | |
C18 | H17 | sing | 1.09Å | 1.10Å | |
N15 | H20 | sing | 0.97Å | 1.00Å | |
O16 | H21 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | N02 | C03 | 110.9° | 111.0° |
C01 | N02 | C18 | 112.8° | 110.9° |
N02 | C01 | H3 | 109.5° | 109.5° |
N02 | C01 | H4 | 109.4° | 109.4° |
N02 | C01 | H5 | 109.5° | 109.4° |
O16 | N15 | C13 | 119.8° | 120.0° |
O16 | N15 | H20 | 120.1° | 120.0° |
N15 | O16 | H21 | 109.5° | 114.0° |
N15 | C13 | C10 | 119.2° | 120.0° |
N15 | C13 | O14 | 119.4° | 120.0° |
C13 | N15 | H20 | 120.1° | 120.0° |
C03 | N02 | C18 | 119.8° | 110.9° |
N02 | C03 | C04 | 116.8° | 109.3° |
N02 | C03 | H6 | 107.6° | 109.5° |
N02 | C03 | H7 | 107.6° | 109.5° |
N02 | C18 | C17 | 117.1° | 109.3° |
N02 | C18 | H16 | 107.5° | 109.5° |
N02 | C18 | H17 | 107.6° | 109.6° |
C03 | C04 | N05 | 114.3° | 109.4° |
C04 | C03 | H6 | 107.6° | 109.5° |
C04 | C03 | H7 | 107.6° | 109.5° |
C03 | C04 | H8 | 108.2° | 109.5° |
C03 | C04 | H9 | 108.2° | 109.5° |
C18 | C17 | N05 | 113.4° | 109.4° |
C18 | C17 | H1 | 108.5° | 109.5° |
C18 | C17 | H2 | 108.5° | 109.4° |
C17 | C18 | H16 | 107.6° | 109.5° |
C17 | C18 | H17 | 107.5° | 109.5° |
C08 | C09 | C10 | 119.8° | 119.8° |
C09 | C08 | C07 | 120.0° | 120.2° |
C09 | C08 | H12 | 120.0° | 119.8° |
C08 | C09 | H13 | 120.1° | 120.1° |
C09 | C10 | C13 | 118.9° | 120.1° |
C09 | C10 | C11 | 120.8° | 119.7° |
C10 | C09 | H13 | 120.1° | 120.1° |
C08 | C07 | C06 | 119.3° | 119.8° |
C08 | C07 | C12 | 120.1° | 120.3° |
C07 | C08 | H12 | 120.0° | 120.0° |
C10 | C13 | O14 | 121.4° | 120.0° |
C13 | C10 | C11 | 120.3° | 120.1° |
C04 | N05 | C17 | 113.4° | 110.9° |
C04 | N05 | C06 | 111.6° | 111.0° |
N05 | C04 | H8 | 108.2° | 109.5° |
N05 | C04 | H9 | 108.2° | 109.5° |
C17 | N05 | C06 | 112.3° | 111.1° |
N05 | C17 | H1 | 108.5° | 109.5° |
N05 | C17 | H2 | 108.5° | 109.5° |
N05 | C06 | C07 | 108.7° | 109.5° |
N05 | C06 | H10 | 109.6° | 109.4° |
N05 | C06 | H11 | 109.7° | 109.5° |
C10 | C11 | C12 | 119.2° | 119.9° |
C10 | C11 | H14 | 120.4° | 120.1° |
C06 | C07 | C12 | 120.5° | 119.8° |
C07 | C06 | H10 | 109.7° | 109.4° |
C07 | C06 | H11 | 109.7° | 109.5° |
C07 | C12 | C11 | 120.0° | 120.1° |
C07 | C12 | H15 | 120.0° | 120.0° |
C12 | C11 | H14 | 120.4° | 120.0° |
C11 | C12 | H15 | 120.0° | 119.9° |
H1 | C17 | H2 | 109.4° | 109.5° |
H3 | C01 | H4 | 109.5° | 109.5° |
H3 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H5 | 109.5° | 109.5° |
H6 | C03 | H7 | 109.4° | 109.5° |
H8 | C04 | H9 | 109.5° | 109.4° |
H10 | C06 | H11 | 109.5° | 109.4° |
H16 | C18 | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | N02 | C03 | C18 | 134.2° | 123.8° |
C01 | N02 | C03 | C04 | 153.6° | 176.9° |
C01 | N02 | C18 | C17 | 153.4° | 176.8° |
N02 | C01 | H3 | H4 | 120.0° | 120.0° |
N02 | C01 | H3 | H5 | 120.0° | 120.0° |
N02 | C01 | H4 | H5 | 120.0° | 119.9° |
C01 | N02 | C03 | H6 | 32.5° | 56.9° |
C01 | N02 | C03 | H7 | 85.4° | 63.2° |
C01 | N02 | C18 | H16 | 85.5° | 63.2° |
C01 | N02 | C18 | H17 | 32.4° | 56.9° |
O16 | N15 | C13 | H20 | 180.0° | 179.9° |
O16 | N15 | C13 | C10 | 179.9° | 180.0° |
O16 | N15 | C13 | O14 | 0.6° | 0.0° |
N15 | C13 | C10 | C09 | 19.1° | 0.3° |
N15 | C13 | C10 | O14 | 179.4° | 180.0° |
N15 | C13 | C10 | C11 | 160.3° | 180.0° |
C13 | N15 | O16 | H21 | 0.3° | 180.0° |
N02 | C03 | C04 | H6 | 121.1° | 119.9° |
N02 | C03 | C04 | H7 | 121.1° | 119.9° |
C03 | N02 | C18 | C17 | 20.0° | 59.3° |
N02 | C03 | C04 | N05 | 34.8° | 58.4° |
C03 | N02 | C01 | H3 | 180.0° | 59.9° |
C03 | N02 | C01 | H4 | 60.0° | 180.0° |
C03 | N02 | C01 | H5 | 60.0° | 60.1° |
N02 | C03 | H6 | H7 | 116.7° | 120.0° |
N02 | C03 | C04 | H8 | 155.5° | 178.4° |
N02 | C03 | C04 | H9 | 85.9° | 61.6° |
C03 | N02 | C18 | H16 | 141.1° | 60.6° |
C03 | N02 | C18 | H17 | 101.0° | 179.3° |
C18 | N02 | C03 | C04 | 19.4° | 59.3° |
N02 | C18 | C17 | H16 | 121.1° | 120.0° |
N02 | C18 | C17 | H17 | 121.1° | 120.0° |
N02 | C18 | C17 | N05 | 35.9° | 58.4° |
N02 | C18 | C17 | H1 | 84.7° | 61.6° |
N02 | C18 | C17 | H2 | 156.5° | 178.4° |
C18 | N02 | C01 | H3 | 42.4° | 63.8° |
C18 | N02 | C01 | H4 | 162.4° | 56.3° |
C18 | N02 | C01 | H5 | 77.6° | 176.2° |
C18 | N02 | C03 | H6 | 101.7° | 179.3° |
C18 | N02 | C03 | H7 | 140.5° | 60.6° |
N02 | C18 | H16 | H17 | 116.6° | 120.1° |
C03 | C04 | N05 | H8 | 120.7° | 120.0° |
C03 | C04 | N05 | H9 | 120.7° | 120.0° |
C03 | C04 | N05 | C17 | 51.9° | 59.3° |
C03 | C04 | N05 | C06 | 179.9° | 176.8° |
C04 | C03 | H6 | H7 | 116.7° | 120.1° |
C03 | C04 | H8 | H9 | 117.8° | 120.0° |
C18 | C17 | N05 | C04 | 52.1° | 59.3° |
C18 | C17 | N05 | H1 | 120.6° | 120.1° |
C18 | C17 | N05 | H2 | 120.6° | 119.9° |
C18 | C17 | N05 | C06 | 179.7° | 176.7° |
C18 | C17 | H1 | H2 | 118.2° | 120.0° |
C17 | C18 | H16 | H17 | 116.5° | 120.0° |
C08 | C09 | C10 | H13 | 180.0° | 180.0° |
C09 | C08 | C07 | H12 | 180.0° | 179.7° |
C08 | C09 | C10 | C13 | 179.7° | 179.7° |
C08 | C09 | C10 | C11 | 0.9° | 0.0° |
C09 | C08 | C07 | C06 | 179.3° | 179.7° |
C09 | C08 | C07 | C12 | 0.5° | 0.8° |
C10 | C09 | C08 | C07 | 1.0° | 0.5° |
C09 | C10 | C13 | C11 | 179.5° | 179.7° |
C09 | C10 | C13 | O14 | 161.5° | 179.8° |
C09 | C10 | C11 | C12 | 0.3° | 0.2° |
C10 | C09 | C08 | H12 | 179.0° | 179.7° |
C09 | C10 | C11 | H14 | 179.7° | 179.7° |
C08 | C07 | C06 | N05 | 58.3° | 90.5° |
C08 | C07 | C06 | C12 | 179.8° | 179.5° |
C08 | C07 | C12 | C11 | 0.1° | 0.5° |
C08 | C07 | C06 | H10 | 178.2° | 29.5° |
C08 | C07 | C06 | H11 | 61.6° | 149.5° |
C07 | C08 | C09 | H13 | 179.0° | 179.5° |
C08 | C07 | C12 | H15 | 179.9° | 180.0° |
C13 | C10 | C11 | C12 | 179.7° | 180.0° |
C13 | C10 | C09 | H13 | 0.3° | 0.3° |
C13 | C10 | C11 | H14 | 0.3° | 0.0° |
C10 | C13 | N15 | H20 | 0.0° | 0.1° |
O14 | C13 | C10 | C11 | 19.1° | 0.0° |
O14 | C13 | N15 | H20 | 179.4° | 179.9° |
C04 | N05 | C17 | C06 | 127.6° | 123.9° |
C04 | N05 | C06 | C07 | 63.7° | 170.0° |
C04 | N05 | C17 | H1 | 68.5° | 60.7° |
C04 | N05 | C17 | H2 | 172.7° | 179.3° |
N05 | C04 | C03 | H6 | 86.2° | 178.3° |
N05 | C04 | C03 | H7 | 155.9° | 61.5° |
N05 | C04 | H8 | H9 | 117.8° | 120.0° |
C04 | N05 | C06 | H10 | 56.2° | 70.0° |
C04 | N05 | C06 | H11 | 176.4° | 49.9° |
C17 | N05 | C06 | C07 | 167.6° | 66.2° |
N05 | C17 | H1 | H2 | 118.2° | 120.0° |
C17 | N05 | C04 | H8 | 172.6° | 179.3° |
C17 | N05 | C04 | H9 | 68.8° | 60.7° |
C17 | N05 | C06 | H10 | 72.5° | 53.8° |
C17 | N05 | C06 | H11 | 47.7° | 173.7° |
N05 | C17 | C18 | H16 | 157.0° | 61.5° |
N05 | C17 | C18 | H17 | 85.2° | 178.5° |
N05 | C06 | C07 | H10 | 119.9° | 120.0° |
N05 | C06 | C07 | H11 | 119.9° | 120.1° |
N05 | C06 | C07 | C12 | 121.5° | 90.0° |
C06 | N05 | C17 | H1 | 59.1° | 63.2° |
C06 | N05 | C17 | H2 | 59.7° | 56.8° |
C06 | N05 | C04 | H8 | 59.4° | 56.8° |
C06 | N05 | C04 | H9 | 59.2° | 63.2° |
N05 | C06 | H10 | H11 | 120.3° | 120.0° |
C10 | C11 | C12 | C07 | 0.2° | 0.0° |
C10 | C11 | C12 | H14 | 180.0° | 179.9° |
C11 | C10 | C09 | H13 | 179.1° | 180.0° |
C10 | C11 | C12 | H15 | 179.8° | 179.5° |
C06 | C07 | C12 | C11 | 179.9° | 180.0° |
C07 | C06 | H10 | H11 | 120.4° | 120.0° |
C06 | C07 | C08 | H12 | 0.7° | 0.0° |
C06 | C07 | C12 | H15 | 0.1° | 0.5° |
C07 | C12 | C11 | H15 | 180.0° | 179.5° |
C12 | C07 | C06 | H10 | 1.7° | 150.0° |
C12 | C07 | C06 | H11 | 118.6° | 30.1° |
C12 | C07 | C08 | H12 | 179.5° | 179.5° |
C07 | C12 | C11 | H14 | 179.8° | 180.0° |
H1 | C17 | C18 | H16 | 36.4° | 178.4° |
H1 | C17 | C18 | H17 | 154.2° | 58.4° |
H2 | C17 | C18 | H16 | 82.4° | 58.4° |
H2 | C17 | C18 | H17 | 35.4° | 61.6° |
H3 | C01 | H4 | H5 | 120.0° | 120.0° |
H6 | C03 | C04 | H8 | 34.5° | 61.7° |
H6 | C03 | C04 | H9 | 153.1° | 58.3° |
H7 | C03 | C04 | H8 | 83.4° | 58.5° |
H7 | C03 | C04 | H9 | 35.2° | 178.5° |
H12 | C08 | C09 | H13 | 1.0° | 0.2° |
H14 | C11 | C12 | H15 | 0.2° | 0.5° |
H20 | N15 | O16 | H21 | 179.7° | 0.1° |