L30
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C28 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
C28 | C20 | sing | 1.36Å | 1.38Å | Aromatic |
C26 | C24 | sing | 1.36Å | 1.40Å | Aromatic |
C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
C24 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | N13 | doub | 1.32Å | 1.36Å | Aromatic |
C12 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
N13 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
C21 | C22 | sing | 1.42Å | 1.48Å | Aromatic |
C21 | C4 | sing | 1.41Å | 1.47Å | Aromatic |
C10 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
C22 | C1 | sing | 1.41Å | 1.38Å | Aromatic |
N5 | C4 | sing | 1.39Å | 1.39Å | |
N5 | C6 | sing | 1.35Å | 1.38Å | |
C8 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
C7 | C6 | sing | 1.48Å | 1.51Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | O18 | doub | 1.22Å | 1.24Å | |
C1 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | H1 | sing | 1.08Å | 1.08Å | |
C10 | H2 | sing | 1.08Å | 1.08Å | |
C12 | H3 | sing | 1.08Å | 1.08Å | |
C15 | H4 | sing | 1.08Å | 1.08Å | |
N5 | H5 | sing | 0.97Å | 1.00Å | |
C3 | H6 | sing | 1.08Å | 1.08Å | |
C2 | H7 | sing | 1.08Å | 1.08Å | |
C1 | H8 | sing | 1.08Å | 1.08Å | |
C24 | H9 | sing | 1.08Å | 1.08Å | |
C26 | H10 | sing | 1.08Å | 1.08Å | |
C28 | H11 | sing | 1.08Å | 1.08Å | |
C20 | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | C28 | C20 | 119.4° | 121.0° |
C28 | C26 | C24 | 121.6° | 121.0° |
C28 | C26 | H10 | 119.2° | 119.5° |
C26 | C28 | H11 | 120.3° | 119.5° |
C28 | C20 | C21 | 120.7° | 119.7° |
C20 | C28 | H11 | 120.3° | 119.5° |
C28 | C20 | H12 | 119.7° | 120.2° |
C26 | C24 | C22 | 119.9° | 119.6° |
C26 | C24 | H9 | 120.0° | 120.2° |
C24 | C26 | H10 | 119.2° | 119.5° |
C20 | C21 | C22 | 120.0° | 119.4° |
C20 | C21 | C4 | 122.2° | 121.3° |
C21 | C20 | H12 | 119.7° | 120.2° |
C24 | C22 | C21 | 118.4° | 119.3° |
C24 | C22 | C1 | 121.8° | 121.2° |
C22 | C24 | H9 | 120.1° | 120.2° |
N13 | C12 | C10 | 119.7° | 121.1° |
C12 | N13 | C15 | 122.4° | 121.9° |
N13 | C12 | H3 | 120.1° | 119.4° |
C12 | C10 | C8 | 119.8° | 119.3° |
C12 | C10 | H2 | 120.1° | 120.3° |
C10 | C12 | H3 | 120.1° | 119.5° |
N13 | C15 | C7 | 119.7° | 120.5° |
N13 | C15 | H4 | 120.1° | 119.7° |
C22 | C21 | C4 | 117.7° | 119.3° |
C21 | C22 | C1 | 119.8° | 119.5° |
C21 | C4 | N5 | 120.3° | 120.3° |
C21 | C4 | C3 | 118.4° | 119.4° |
C10 | C8 | C7 | 118.9° | 118.3° |
C10 | C8 | H1 | 120.5° | 120.9° |
C8 | C10 | H2 | 120.1° | 120.3° |
C15 | C7 | C8 | 119.3° | 118.9° |
C15 | C7 | C6 | 119.5° | 120.5° |
C7 | C15 | H4 | 120.1° | 119.8° |
C22 | C1 | C2 | 121.0° | 120.0° |
C22 | C1 | H8 | 119.5° | 120.1° |
C4 | N5 | C6 | 125.9° | 120.0° |
N5 | C4 | C3 | 120.4° | 120.3° |
C4 | N5 | H5 | 117.1° | 120.1° |
N5 | C6 | C7 | 114.1° | 120.0° |
N5 | C6 | O18 | 127.7° | 120.0° |
C6 | N5 | H5 | 117.1° | 119.9° |
C8 | C7 | C6 | 121.1° | 120.6° |
C7 | C8 | H1 | 120.6° | 120.9° |
C7 | C6 | O18 | 118.0° | 120.0° |
C4 | C3 | C2 | 122.0° | 120.8° |
C4 | C3 | H6 | 119.0° | 119.5° |
C1 | C2 | C3 | 121.1° | 121.1° |
C1 | C2 | H7 | 119.5° | 119.5° |
C2 | C1 | H8 | 119.5° | 120.0° |
C2 | C3 | H6 | 119.0° | 119.7° |
C3 | C2 | H7 | 119.4° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | C28 | C20 | H11 | 180.0° | 179.9° |
C28 | C26 | C24 | H10 | 180.0° | 179.9° |
C26 | C28 | C20 | C21 | 1.0° | 0.3° |
C28 | C26 | C24 | C22 | 3.2° | 0.0° |
C28 | C26 | C24 | H9 | 176.8° | 180.0° |
C26 | C28 | C20 | H12 | 178.9° | 180.0° |
C20 | C28 | C26 | C24 | 1.0° | 0.0° |
C28 | C20 | C21 | H12 | 180.0° | 179.7° |
C28 | C20 | C21 | C22 | 0.8° | 0.5° |
C28 | C20 | C21 | C4 | 177.8° | 179.7° |
C20 | C28 | C26 | H10 | 179.0° | 180.0° |
C26 | C24 | C22 | H9 | 180.0° | 180.0° |
C26 | C24 | C22 | C21 | 3.3° | 0.3° |
C26 | C24 | C22 | C1 | 177.9° | 180.0° |
C24 | C26 | C28 | H11 | 179.0° | 180.0° |
C20 | C21 | C22 | C24 | 1.3° | 0.5° |
C20 | C21 | C22 | C4 | 178.7° | 179.2° |
C20 | C21 | C22 | C1 | 179.9° | 179.7° |
C20 | C21 | C4 | N5 | 10.0° | 0.6° |
C20 | C21 | C4 | C3 | 178.6° | 179.7° |
C21 | C20 | C28 | H11 | 178.9° | 179.8° |
C24 | C22 | C21 | C1 | 178.8° | 179.8° |
C24 | C22 | C21 | C4 | 179.9° | 179.7° |
C24 | C22 | C1 | C2 | 178.5° | 180.0° |
C24 | C22 | C1 | H8 | 1.5° | 0.1° |
C22 | C24 | C26 | H10 | 176.8° | 180.0° |
N13 | C12 | C10 | H3 | 180.0° | 179.7° |
N13 | C12 | C10 | C8 | 1.5° | 0.0° |
C12 | N13 | C15 | C7 | 1.1° | 0.5° |
N13 | C12 | C10 | H2 | 178.5° | 180.0° |
C12 | N13 | C15 | H4 | 178.9° | 180.0° |
C10 | C12 | N13 | C15 | 2.4° | 0.3° |
C12 | C10 | C8 | H2 | 180.0° | 179.9° |
C12 | C10 | C8 | C7 | 0.5° | 0.0° |
C12 | C10 | C8 | H1 | 179.5° | 180.0° |
N13 | C15 | C7 | H4 | 180.0° | 179.5° |
N13 | C15 | C7 | C8 | 0.9° | 0.5° |
N13 | C15 | C7 | C6 | 176.5° | 179.8° |
C15 | N13 | C12 | H3 | 177.6° | 180.0° |
C22 | C21 | C4 | N5 | 171.3° | 179.8° |
C22 | C21 | C4 | C3 | 2.7° | 0.5° |
C21 | C22 | C1 | C2 | 0.3° | 0.3° |
C21 | C22 | C1 | H8 | 179.7° | 179.8° |
C21 | C22 | C24 | H9 | 176.7° | 179.8° |
C22 | C21 | C20 | H12 | 179.1° | 179.7° |
C4 | C21 | C22 | C1 | 1.1° | 0.5° |
C21 | C4 | N5 | C3 | 168.3° | 179.7° |
C21 | C4 | N5 | C6 | 51.8° | 145.5° |
C21 | C4 | C3 | C2 | 3.0° | 0.3° |
C21 | C4 | N5 | H5 | 128.2° | 34.4° |
C21 | C4 | C3 | H6 | 177.0° | 179.8° |
C4 | C21 | C20 | H12 | 2.2° | 0.5° |
C10 | C8 | C7 | C15 | 1.7° | 0.2° |
C10 | C8 | C7 | H1 | 180.0° | 180.0° |
C10 | C8 | C7 | C6 | 177.2° | 179.9° |
C8 | C10 | C12 | H3 | 178.5° | 179.7° |
C15 | C7 | C6 | N5 | 11.3° | 0.0° |
C15 | C7 | C8 | C6 | 175.5° | 179.7° |
C15 | C7 | C6 | O18 | 172.9° | 179.7° |
C15 | C7 | C8 | H1 | 178.3° | 179.8° |
C22 | C1 | C2 | H8 | 180.0° | 179.9° |
C22 | C1 | C2 | C3 | 0.1° | 0.0° |
C22 | C1 | C2 | H7 | 179.9° | 180.0° |
C1 | C22 | C24 | H9 | 2.1° | 0.0° |
C4 | N5 | C6 | H5 | 180.0° | 179.9° |
C4 | N5 | C6 | C7 | 176.9° | 175.2° |
C4 | N5 | C6 | O18 | 1.7° | 4.6° |
N5 | C4 | C3 | C2 | 171.5° | 179.9° |
N5 | C4 | C3 | H6 | 8.5° | 0.1° |
N5 | C6 | C7 | C8 | 164.2° | 179.8° |
N5 | C6 | C7 | O18 | 175.8° | 179.8° |
C6 | N5 | C4 | C3 | 116.5° | 34.8° |
C8 | C7 | C6 | O18 | 11.5° | 0.0° |
C7 | C8 | C10 | H2 | 179.5° | 180.0° |
C8 | C7 | C15 | H4 | 179.1° | 180.0° |
C6 | C7 | C8 | H1 | 2.8° | 0.0° |
C6 | C7 | C15 | H4 | 3.4° | 0.3° |
C7 | C6 | N5 | H5 | 3.1° | 4.7° |
C4 | C3 | C2 | C1 | 1.6° | 0.0° |
C4 | C3 | C2 | H6 | 180.0° | 180.0° |
C3 | C4 | N5 | H5 | 63.5° | 145.3° |
C4 | C3 | C2 | H7 | 178.4° | 180.0° |
O18 | C6 | N5 | H5 | 178.4° | 175.5° |
C1 | C2 | C3 | H7 | 180.0° | 180.0° |
C1 | C2 | C3 | H6 | 178.4° | 180.0° |
C3 | C2 | C1 | H8 | 179.9° | 179.9° |
H1 | C8 | C10 | H2 | 0.5° | 0.1° |
H2 | C10 | C12 | H3 | 1.5° | 0.3° |
H6 | C3 | C2 | H7 | 1.6° | 0.0° |
H7 | C2 | C1 | H8 | 0.1° | 0.1° |
H9 | C24 | C26 | H10 | 3.2° | 0.1° |
H10 | C26 | C28 | H11 | 1.0° | 0.1° |
H11 | C28 | C20 | H12 | 1.1° | 0.0° |