30L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O9 | N7 | sing | 1.22Å | 1.22Å | |
O8 | N7 | doub | 1.22Å | 1.22Å | |
N7 | C6 | sing | 1.48Å | 1.37Å | |
C10 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C3 | sing | 1.51Å | 1.54Å | |
C3 | N1 | sing | 1.47Å | 1.45Å | |
O20 | C19 | doub | 1.22Å | 1.22Å | |
C19 | N1 | sing | 1.35Å | 1.35Å | |
C19 | C21 | sing | 1.47Å | 1.51Å | |
C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
C24 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
O34 | C33 | doub | 1.21Å | 1.32Å | |
C30 | O31 | sing | 1.36Å | 1.38Å | |
C30 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
O31 | C32 | sing | 1.43Å | 1.43Å | |
C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | F27 | sing | 1.35Å | 1.32Å | |
C33 | C32 | sing | 1.51Å | 1.50Å | |
C33 | O36 | sing | 1.34Å | 1.23Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.08Å | 1.08Å | |
C10 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
C22 | H8 | sing | 1.08Å | 1.08Å | |
C24 | H9 | sing | 1.08Å | 1.08Å | |
C28 | H10 | sing | 1.08Å | 1.08Å | |
C32 | H11 | sing | 1.09Å | 1.10Å | |
C32 | H12 | sing | 1.09Å | 1.10Å | |
O36 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O9 | N7 | O8 | 122.7° | 120.0° |
O9 | N7 | C6 | 119.2° | 120.0° |
O8 | N7 | C6 | 118.1° | 120.0° |
N7 | C6 | C10 | 120.8° | 120.1° |
N7 | C6 | C5 | 119.8° | 120.0° |
C6 | C10 | C11 | 119.6° | 120.1° |
C10 | C6 | C5 | 119.5° | 120.0° |
C6 | C10 | H5 | 120.2° | 120.0° |
C10 | C11 | C12 | 120.3° | 119.9° |
C11 | C10 | H5 | 120.2° | 119.9° |
C10 | C11 | H6 | 119.8° | 120.1° |
C6 | C5 | C4 | 121.5° | 120.0° |
C6 | C5 | H4 | 119.2° | 120.0° |
C11 | C12 | C4 | 120.5° | 120.0° |
C12 | C11 | H6 | 119.8° | 120.0° |
C11 | C12 | H7 | 119.8° | 120.0° |
C5 | C4 | C12 | 118.6° | 120.0° |
C5 | C4 | C3 | 117.9° | 120.0° |
C4 | C5 | H4 | 119.3° | 120.0° |
C12 | C4 | C3 | 123.5° | 120.0° |
C4 | C12 | H7 | 119.7° | 120.0° |
C4 | C3 | N1 | 112.4° | 109.5° |
C4 | C3 | H2 | 108.7° | 109.5° |
C4 | C3 | H3 | 108.7° | 109.5° |
C3 | N1 | C19 | 120.7° | 120.0° |
C3 | N1 | H1 | 119.7° | 120.0° |
N1 | C3 | H2 | 108.7° | 109.4° |
N1 | C3 | H3 | 108.7° | 109.4° |
O20 | C19 | N1 | 122.7° | 120.0° |
O20 | C19 | C21 | 120.5° | 120.0° |
N1 | C19 | C21 | 116.7° | 120.0° |
C19 | N1 | H1 | 119.6° | 120.0° |
C19 | C21 | C22 | 119.3° | 120.2° |
C19 | C21 | C30 | 121.2° | 120.2° |
C21 | C22 | C24 | 121.1° | 120.0° |
C22 | C21 | C30 | 119.5° | 119.6° |
C21 | C22 | H8 | 119.4° | 120.0° |
C22 | C24 | C26 | 118.6° | 120.3° |
C24 | C22 | H8 | 119.4° | 120.1° |
C22 | C24 | H9 | 120.7° | 119.8° |
C21 | C30 | O31 | 118.2° | 120.2° |
C21 | C30 | C28 | 119.9° | 119.7° |
C24 | C26 | C28 | 121.3° | 120.3° |
C24 | C26 | F27 | 119.0° | 119.9° |
C26 | C24 | H9 | 120.7° | 119.8° |
O34 | C33 | C32 | 117.7° | 120.0° |
O34 | C33 | O36 | 123.5° | 119.9° |
O31 | C30 | C28 | 121.8° | 120.1° |
C30 | O31 | C32 | 117.5° | 117.0° |
C30 | C28 | C26 | 119.6° | 120.1° |
C30 | C28 | H10 | 120.2° | 120.0° |
O31 | C32 | C33 | 111.8° | 109.4° |
O31 | C32 | H11 | 108.9° | 109.5° |
O31 | C32 | H12 | 108.9° | 109.5° |
C28 | C26 | F27 | 119.7° | 119.9° |
C26 | C28 | H10 | 120.2° | 119.9° |
C32 | C33 | O36 | 118.8° | 120.0° |
C33 | C32 | H11 | 108.9° | 109.4° |
C33 | C32 | H12 | 108.9° | 109.5° |
C33 | O36 | H13 | 109.5° | 117.0° |
H2 | C3 | H3 | 109.5° | 109.5° |
H11 | C32 | H12 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O9 | N7 | O8 | C6 | 179.7° | 180.0° |
O9 | N7 | C6 | C10 | 12.6° | 0.0° |
O9 | N7 | C6 | C5 | 168.4° | 180.0° |
O8 | N7 | C6 | C10 | 167.1° | 179.9° |
O8 | N7 | C6 | C5 | 11.9° | 0.0° |
N7 | C6 | C10 | C5 | 179.0° | 180.0° |
N7 | C6 | C10 | C11 | 179.5° | 180.0° |
N7 | C6 | C5 | C4 | 180.0° | 180.0° |
N7 | C6 | C5 | H4 | 0.0° | 0.0° |
N7 | C6 | C10 | H5 | 0.5° | 0.0° |
C6 | C10 | C11 | H5 | 180.0° | 180.0° |
C6 | C10 | C11 | C12 | 0.4° | 0.2° |
C10 | C6 | C5 | C4 | 1.0° | 0.1° |
C10 | C6 | C5 | H4 | 178.9° | 180.0° |
C6 | C10 | C11 | H6 | 179.6° | 180.0° |
C11 | C10 | C6 | C5 | 0.6° | 0.0° |
C10 | C11 | C12 | H6 | 180.0° | 179.8° |
C10 | C11 | C12 | C4 | 0.7° | 0.5° |
C10 | C11 | C12 | H7 | 179.3° | 180.0° |
C6 | C5 | C4 | H4 | 180.0° | 179.9° |
C6 | C5 | C4 | C12 | 1.3° | 0.3° |
C6 | C5 | C4 | C3 | 179.7° | 180.0° |
C5 | C6 | C10 | H5 | 179.5° | 180.0° |
C11 | C12 | C4 | C5 | 1.2° | 0.5° |
C11 | C12 | C4 | H7 | 180.0° | 179.5° |
C11 | C12 | C4 | C3 | 179.9° | 179.8° |
C12 | C11 | C10 | H5 | 179.6° | 179.8° |
C5 | C4 | C12 | C3 | 178.9° | 179.7° |
C5 | C4 | C3 | N1 | 176.9° | 90.1° |
C5 | C4 | C3 | H2 | 62.7° | 29.9° |
C5 | C4 | C3 | H3 | 56.5° | 150.0° |
C5 | C4 | C12 | H7 | 178.8° | 180.0° |
C12 | C4 | C3 | N1 | 4.2° | 90.3° |
C12 | C4 | C3 | H2 | 116.2° | 149.7° |
C12 | C4 | C3 | H3 | 124.6° | 29.7° |
C12 | C4 | C5 | H4 | 178.6° | 179.7° |
C4 | C12 | C11 | H6 | 179.3° | 179.7° |
C4 | C3 | N1 | H2 | 120.5° | 120.1° |
C4 | C3 | N1 | H3 | 120.4° | 120.0° |
C4 | C3 | N1 | C19 | 101.0° | 179.7° |
C4 | C3 | N1 | H1 | 79.0° | 0.1° |
C4 | C3 | H2 | H3 | 118.7° | 120.1° |
C3 | C4 | C5 | H4 | 0.3° | 0.0° |
C3 | C4 | C12 | H7 | 0.1° | 0.3° |
C3 | N1 | C19 | O20 | 2.8° | 0.3° |
C3 | N1 | C19 | H1 | 180.0° | 179.6° |
C3 | N1 | C19 | C21 | 178.9° | 179.7° |
N1 | C3 | H2 | H3 | 118.6° | 119.9° |
O20 | C19 | N1 | C21 | 176.0° | 180.0° |
O20 | C19 | C21 | C22 | 40.4° | 179.7° |
O20 | C19 | C21 | C30 | 141.9° | 0.0° |
O20 | C19 | N1 | H1 | 177.2° | 180.0° |
N1 | C19 | C21 | C22 | 135.7° | 0.2° |
N1 | C19 | C21 | C30 | 42.0° | 180.0° |
C19 | N1 | C3 | H2 | 19.5° | 59.7° |
C19 | N1 | C3 | H3 | 138.6° | 60.3° |
C19 | C21 | C22 | C30 | 177.7° | 179.7° |
C19 | C21 | C22 | C24 | 178.4° | 180.0° |
C19 | C21 | C30 | O31 | 4.9° | 0.0° |
C19 | C21 | C30 | C28 | 178.2° | 179.8° |
C21 | C19 | N1 | H1 | 1.2° | 0.1° |
C19 | C21 | C22 | H8 | 1.6° | 0.0° |
C21 | C22 | C24 | H8 | 180.0° | 180.0° |
C21 | C22 | C24 | C26 | 0.1° | 0.0° |
C22 | C21 | C30 | O31 | 177.4° | 179.8° |
C22 | C21 | C30 | C28 | 0.5° | 0.5° |
C21 | C22 | C24 | H9 | 179.9° | 180.0° |
C24 | C22 | C21 | C30 | 0.7° | 0.2° |
C22 | C24 | C26 | H9 | 180.0° | 179.9° |
C22 | C24 | C26 | C28 | 0.5° | 0.1° |
C22 | C24 | C26 | F27 | 179.8° | 180.0° |
C21 | C30 | O31 | C28 | 176.8° | 179.7° |
C21 | C30 | O31 | C32 | 151.6° | 180.0° |
C21 | C30 | C28 | C26 | 0.1° | 0.5° |
C30 | C21 | C22 | H8 | 179.3° | 179.8° |
C21 | C30 | C28 | H10 | 179.9° | 179.7° |
C24 | C26 | C28 | C30 | 0.6° | 0.2° |
C24 | C26 | C28 | F27 | 179.7° | 179.9° |
C26 | C24 | C22 | H8 | 179.9° | 179.9° |
C24 | C26 | C28 | H10 | 179.4° | 180.0° |
O34 | C33 | C32 | O31 | 16.2° | 0.1° |
O34 | C33 | C32 | O36 | 179.2° | 179.9° |
O34 | C33 | C32 | H11 | 136.5° | 120.0° |
O34 | C33 | C32 | H12 | 104.2° | 119.9° |
O34 | C33 | O36 | H13 | 0.0° | 0.1° |
O31 | C30 | C28 | C26 | 176.6° | 179.8° |
C30 | O31 | C32 | C33 | 74.3° | 180.0° |
O31 | C30 | C28 | H10 | 3.4° | 0.0° |
C30 | O31 | C32 | H11 | 46.1° | 60.0° |
C30 | O31 | C32 | H12 | 165.4° | 60.0° |
C28 | C30 | O31 | C32 | 31.6° | 0.3° |
C30 | C28 | C26 | H10 | 180.0° | 179.8° |
C30 | C28 | C26 | F27 | 179.6° | 179.8° |
O31 | C32 | C33 | H11 | 120.3° | 120.0° |
O31 | C32 | C33 | H12 | 120.3° | 120.0° |
O31 | C32 | C33 | O36 | 164.6° | 180.0° |
O31 | C32 | H11 | H12 | 119.0° | 120.1° |
C28 | C26 | C24 | H9 | 179.5° | 180.0° |
F27 | C26 | C24 | H9 | 0.2° | 0.0° |
F27 | C26 | C28 | H10 | 0.3° | 0.0° |
C33 | C32 | H11 | H12 | 118.9° | 120.0° |
C32 | C33 | O36 | H13 | 179.1° | 180.0° |
O36 | C33 | C32 | H11 | 44.3° | 60.0° |
O36 | C33 | C32 | H12 | 75.0° | 60.0° |
H1 | N1 | C3 | H2 | 160.5° | 120.0° |
H1 | N1 | C3 | H3 | 41.4° | 120.1° |
H5 | C10 | C11 | H6 | 0.4° | 0.1° |
H6 | C11 | C12 | H7 | 0.7° | 0.2° |
H8 | C22 | C24 | H9 | 0.1° | 0.0° |