08R
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | C04 | sing | 1.51Å | 1.51Å | |
C04 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
C03 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
C02 | N02 | sing | 1.39Å | 1.35Å | |
C02 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
C06 | C08 | sing | 1.51Å | 1.54Å | |
C3' | C2' | sing | 1.54Å | 1.52Å | |
C3' | C08 | sing | 1.53Å | 1.54Å | |
C3' | C4' | sing | 1.54Å | 1.52Å | |
C2' | N1' | sing | 1.49Å | 1.46Å | |
C10 | O09 | sing | 1.43Å | 1.42Å | |
C10 | C11 | sing | 1.53Å | 1.51Å | |
C4' | O09 | sing | 1.43Å | 1.42Å | |
C4' | C5' | sing | 1.54Å | 1.54Å | |
N1' | C5' | sing | 1.49Å | 1.46Å | |
C11 | N12 | sing | 1.47Å | 1.45Å | |
N12 | C13 | sing | 1.47Å | 1.47Å | |
C13 | C21 | sing | 1.51Å | 1.52Å | |
O22 | C22 | sing | 1.36Å | 1.39Å | |
O22 | C27 | sing | 1.43Å | 1.44Å | |
C21 | C22 | doub | 1.39Å | 1.50Å | Aromatic |
C21 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
N02 | H1 | sing | 0.97Å | 1.00Å | |
N02 | H2 | sing | 0.97Å | 1.00Å | |
C03 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.08Å | 1.08Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C3' | H10 | sing | 1.09Å | 1.10Å | |
C2' | H11 | sing | 1.09Å | 1.10Å | |
C2' | H12 | sing | 1.09Å | 1.10Å | |
N1' | H13 | sing | 1.01Å | 1.00Å | |
C5' | H15 | sing | 1.09Å | 1.10Å | |
C5' | H16 | sing | 1.09Å | 1.10Å | |
C4' | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å | |
C10 | H19 | sing | 1.09Å | 1.10Å | |
C11 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
N12 | H22 | sing | 1.01Å | 1.00Å | |
C13 | H24 | sing | 1.09Å | 1.10Å | |
C13 | H25 | sing | 1.09Å | 1.10Å | |
C27 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.08Å | 1.08Å | |
C25 | H30 | sing | 1.08Å | 1.08Å | |
C24 | H31 | sing | 1.08Å | 1.08Å | |
C23 | H32 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | C04 | C03 | 121.0° | 120.8° |
C07 | C04 | C05 | 119.2° | 120.7° |
C04 | C07 | H4 | 109.5° | 109.5° |
C04 | C07 | H5 | 109.5° | 109.4° |
C04 | C07 | H6 | 109.5° | 109.5° |
C03 | C04 | C05 | 119.8° | 118.5° |
C04 | C03 | C02 | 117.6° | 119.1° |
C04 | C03 | H3 | 121.2° | 120.4° |
C04 | C05 | C06 | 120.8° | 119.3° |
C04 | C05 | H7 | 119.6° | 120.4° |
C03 | C02 | N02 | 120.0° | 119.7° |
C03 | C02 | N01 | 121.3° | 120.6° |
C02 | C03 | H3 | 121.2° | 120.5° |
C05 | C06 | N01 | 118.9° | 120.8° |
C05 | C06 | C08 | 121.0° | 119.6° |
C06 | C05 | H7 | 119.6° | 120.3° |
N02 | C02 | N01 | 118.6° | 119.7° |
C02 | N02 | H1 | 109.5° | 120.0° |
C02 | N02 | H2 | 109.5° | 120.0° |
C02 | N01 | C06 | 121.5° | 121.6° |
N01 | C06 | C08 | 120.1° | 119.6° |
C06 | C08 | C3' | 110.9° | 109.5° |
C06 | C08 | H8 | 109.0° | 109.5° |
C06 | C08 | H9 | 109.0° | 109.5° |
C2' | C3' | C08 | 114.1° | 110.3° |
C2' | C3' | C4' | 101.9° | 105.0° |
C3' | C2' | N1' | 104.3° | 104.6° |
C2' | C3' | H10 | 112.2° | 110.3° |
C3' | C2' | H11 | 111.2° | 110.4° |
C3' | C2' | H12 | 111.2° | 110.3° |
C08 | C3' | C4' | 111.6° | 110.3° |
C3' | C08 | H8 | 109.0° | 109.5° |
C3' | C08 | H9 | 109.0° | 109.5° |
C08 | C3' | H10 | 102.7° | 110.3° |
C3' | C4' | O09 | 110.9° | 110.3° |
C3' | C4' | C5' | 105.4° | 105.1° |
C4' | C3' | H10 | 114.7° | 110.4° |
C3' | C4' | H17 | 112.3° | 110.3° |
C2' | N1' | C5' | 112.5° | 104.2° |
N1' | C2' | H11 | 111.2° | 110.5° |
N1' | C2' | H12 | 111.2° | 110.5° |
C2' | N1' | H13 | 108.5° | 111.0° |
O09 | C10 | C11 | 109.7° | 109.5° |
C10 | O09 | C4' | 111.4° | 114.0° |
O09 | C10 | H18 | 109.4° | 109.5° |
O09 | C10 | H19 | 109.4° | 109.5° |
C10 | C11 | N12 | 112.0° | 109.5° |
C11 | C10 | H18 | 109.4° | 109.4° |
C11 | C10 | H19 | 109.4° | 109.5° |
C10 | C11 | H20 | 108.6° | 109.5° |
C10 | C11 | H21 | 108.6° | 109.5° |
O09 | C4' | C5' | 112.4° | 110.3° |
O09 | C4' | H17 | 105.3° | 110.3° |
C4' | C5' | N1' | 102.7° | 104.6° |
C4' | C5' | H15 | 111.8° | 110.4° |
C4' | C5' | H16 | 111.8° | 110.5° |
C5' | C4' | H17 | 110.8° | 110.4° |
C5' | N1' | H13 | 108.5° | 111.0° |
N1' | C5' | H15 | 111.8° | 110.4° |
N1' | C5' | H16 | 111.8° | 110.4° |
C11 | N12 | C13 | 118.6° | 111.0° |
N12 | C11 | H20 | 108.7° | 109.4° |
N12 | C11 | H21 | 108.6° | 109.5° |
C11 | N12 | H22 | 106.6° | 111.0° |
N12 | C13 | C21 | 111.2° | 109.4° |
C13 | N12 | H22 | 106.6° | 111.0° |
N12 | C13 | H24 | 108.9° | 109.4° |
N12 | C13 | H25 | 108.9° | 109.5° |
C13 | C21 | C22 | 121.2° | 120.1° |
C13 | C21 | C26 | 119.5° | 120.0° |
C21 | C13 | H24 | 108.9° | 109.5° |
C21 | C13 | H25 | 108.9° | 109.5° |
C22 | O22 | C27 | 123.0° | 117.0° |
O22 | C22 | C21 | 120.6° | 120.0° |
O22 | C22 | C23 | 121.0° | 120.1° |
O22 | C27 | H26 | 109.5° | 109.5° |
O22 | C27 | H27 | 109.4° | 109.5° |
O22 | C27 | H28 | 109.5° | 109.5° |
C22 | C21 | C26 | 119.3° | 119.9° |
C21 | C22 | C23 | 118.4° | 119.9° |
C21 | C26 | C25 | 119.7° | 120.1° |
C21 | C26 | H29 | 120.1° | 119.9° |
C22 | C23 | C24 | 119.8° | 120.0° |
C22 | C23 | H32 | 120.1° | 120.1° |
C26 | C25 | C24 | 121.3° | 120.1° |
C25 | C26 | H29 | 120.2° | 120.0° |
C26 | C25 | H30 | 119.4° | 120.0° |
C23 | C24 | C25 | 121.5° | 120.0° |
C23 | C24 | H31 | 119.3° | 120.0° |
C24 | C23 | H32 | 120.1° | 120.0° |
C24 | C25 | H30 | 119.3° | 119.9° |
C25 | C24 | H31 | 119.3° | 120.0° |
H1 | N02 | H2 | 109.5° | 119.9° |
H4 | C07 | H5 | 109.5° | 109.5° |
H4 | C07 | H6 | 109.5° | 109.5° |
H5 | C07 | H6 | 109.4° | 109.5° |
H8 | C08 | H9 | 109.9° | 109.4° |
H11 | C2' | H12 | 107.7° | 110.5° |
H15 | C5' | H16 | 107.1° | 110.3° |
H18 | C10 | H19 | 109.5° | 109.5° |
H20 | C11 | H21 | 110.3° | 109.5° |
H24 | C13 | H25 | 110.0° | 109.5° |
H26 | C27 | H27 | 109.5° | 109.5° |
H26 | C27 | H28 | 109.4° | 109.5° |
H27 | C27 | H28 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | C04 | C03 | C05 | 179.3° | 180.0° |
C07 | C04 | C03 | C02 | 179.1° | 179.9° |
C07 | C04 | C05 | C06 | 179.5° | 180.0° |
C07 | C04 | C03 | H3 | 0.9° | 0.0° |
C04 | C07 | H4 | H5 | 120.0° | 119.9° |
C04 | C07 | H4 | H6 | 120.0° | 120.0° |
C04 | C07 | H5 | H6 | 120.0° | 120.0° |
C07 | C04 | C05 | H7 | 0.4° | 0.0° |
C04 | C03 | C02 | H3 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.2° | 0.0° |
C04 | C03 | C02 | N02 | 178.2° | 180.0° |
C04 | C03 | C02 | N01 | 1.5° | 0.2° |
C03 | C04 | C07 | H4 | 90.3° | 90.0° |
C03 | C04 | C07 | H5 | 149.6° | 150.0° |
C03 | C04 | C07 | H6 | 29.7° | 30.0° |
C03 | C04 | C05 | H7 | 179.8° | 180.0° |
C05 | C04 | C03 | C02 | 0.2° | 0.0° |
C04 | C05 | C06 | H7 | 180.0° | 180.0° |
C04 | C05 | C06 | N01 | 0.7° | 0.3° |
C04 | C05 | C06 | C08 | 179.1° | 180.0° |
C05 | C04 | C03 | H3 | 179.8° | 180.0° |
C05 | C04 | C07 | H4 | 90.3° | 90.0° |
C05 | C04 | C07 | H5 | 29.7° | 30.0° |
C05 | C04 | C07 | H6 | 149.7° | 150.0° |
C03 | C02 | N02 | N01 | 176.7° | 179.8° |
C03 | C02 | N01 | C06 | 2.5° | 0.5° |
C03 | C02 | N02 | H1 | 176.7° | 179.7° |
C03 | C02 | N02 | H2 | 56.7° | 0.0° |
C05 | C06 | N01 | C02 | 2.1° | 0.5° |
C05 | C06 | N01 | C08 | 178.4° | 179.8° |
C05 | C06 | C08 | C3' | 88.4° | 125.0° |
C05 | C06 | C08 | H8 | 151.6° | 115.0° |
C05 | C06 | C08 | H9 | 31.6° | 5.0° |
N02 | C02 | N01 | C06 | 179.2° | 179.7° |
C02 | N02 | H1 | H2 | 120.0° | 179.7° |
N02 | C02 | C03 | H3 | 1.8° | 0.0° |
C02 | N01 | C06 | C08 | 179.5° | 179.7° |
N01 | C02 | N02 | H1 | 0.0° | 0.0° |
N01 | C02 | N02 | H2 | 120.0° | 179.7° |
N01 | C02 | C03 | H3 | 178.4° | 179.7° |
N01 | C06 | C08 | C3' | 90.0° | 54.8° |
N01 | C06 | C05 | H7 | 179.3° | 179.7° |
N01 | C06 | C08 | H8 | 30.0° | 65.3° |
N01 | C06 | C08 | H9 | 150.0° | 174.8° |
C06 | C08 | C3' | C2' | 64.2° | 66.5° |
C06 | C08 | C3' | H8 | 120.0° | 120.0° |
C06 | C08 | C3' | H9 | 120.0° | 120.0° |
C06 | C08 | C3' | C4' | 179.1° | 177.9° |
C08 | C06 | C05 | H7 | 0.9° | 0.0° |
C06 | C08 | H8 | H9 | 119.4° | 120.0° |
C06 | C08 | C3' | H10 | 57.5° | 55.6° |
C2' | C3' | C08 | C4' | 114.9° | 115.6° |
C2' | C3' | C08 | H10 | 121.7° | 122.1° |
C2' | C3' | C4' | H10 | 121.5° | 118.9° |
C3' | C2' | N1' | H11 | 120.0° | 118.8° |
C3' | C2' | N1' | H12 | 120.0° | 118.7° |
C2' | C3' | C4' | O09 | 158.1° | 118.9° |
C2' | C3' | C4' | C5' | 36.3° | 0.0° |
C3' | C2' | N1' | C5' | 16.5° | 39.5° |
C2' | C3' | C08 | H8 | 55.8° | 53.5° |
C2' | C3' | C08 | H9 | 175.8° | 173.5° |
C3' | C2' | H11 | H12 | 122.1° | 122.3° |
C3' | C2' | N1' | H13 | 136.4° | 80.1° |
C2' | C3' | C4' | H17 | 84.4° | 119.0° |
C08 | C3' | C4' | H10 | 116.3° | 122.2° |
C08 | C3' | C2' | N1' | 88.6° | 142.7° |
C08 | C3' | C4' | O09 | 35.9° | 0.1° |
C08 | C3' | C4' | C5' | 85.9° | 118.9° |
C3' | C08 | H8 | H9 | 119.4° | 120.0° |
C08 | C3' | C2' | H11 | 151.5° | 98.4° |
C08 | C3' | C2' | H12 | 31.4° | 24.0° |
C08 | C3' | C4' | H17 | 153.4° | 122.1° |
C4' | C3' | C2' | N1' | 31.9° | 23.8° |
C3' | C4' | O09 | C10 | 116.7° | 150.0° |
C3' | C4' | O09 | C5' | 117.6° | 115.7° |
C3' | C4' | O09 | H17 | 121.7° | 122.1° |
C3' | C4' | C5' | H17 | 121.7° | 118.9° |
C3' | C4' | C5' | N1' | 26.6° | 23.9° |
C4' | C3' | C08 | H8 | 59.1° | 62.1° |
C4' | C3' | C08 | H9 | 60.9° | 57.9° |
C4' | C3' | C2' | H11 | 88.1° | 142.7° |
C4' | C3' | C2' | H12 | 151.9° | 94.9° |
C3' | C4' | C5' | H15 | 93.4° | 142.6° |
C3' | C4' | C5' | H16 | 146.5° | 95.0° |
C2' | N1' | C5' | C4' | 6.2° | 39.5° |
C2' | N1' | C5' | H13 | 120.0° | 119.6° |
N1' | C2' | C3' | H10 | 155.1° | 95.1° |
N1' | C2' | H11 | H12 | 122.1° | 122.5° |
C2' | N1' | C5' | H15 | 113.8° | 158.3° |
C2' | N1' | C5' | H16 | 126.1° | 79.4° |
O09 | C10 | C11 | H18 | 120.0° | 120.0° |
O09 | C10 | C11 | H19 | 120.0° | 120.0° |
C10 | O09 | C4' | C5' | 125.7° | 94.3° |
O09 | C10 | C11 | N12 | 44.4° | 65.0° |
C10 | O09 | C4' | H17 | 5.0° | 27.9° |
O09 | C10 | H18 | H19 | 119.9° | 120.0° |
O09 | C10 | C11 | H20 | 164.4° | 175.0° |
O09 | C10 | C11 | H21 | 75.6° | 55.0° |
C11 | C10 | O09 | C4' | 117.4° | 180.0° |
C10 | C11 | N12 | H20 | 120.0° | 120.0° |
C10 | C11 | N12 | H21 | 120.0° | 120.1° |
C10 | C11 | N12 | C13 | 152.8° | 180.0° |
C11 | C10 | H18 | H19 | 119.9° | 120.0° |
C10 | C11 | H20 | H21 | 119.0° | 120.0° |
C10 | C11 | N12 | H22 | 32.8° | 56.1° |
O09 | C4' | C5' | H17 | 117.5° | 122.1° |
O09 | C4' | C5' | N1' | 147.4° | 142.8° |
O09 | C4' | C3' | H10 | 80.4° | 122.2° |
O09 | C4' | C5' | H15 | 27.4° | 98.4° |
O09 | C4' | C5' | H16 | 92.7° | 23.9° |
C4' | O09 | C10 | H18 | 122.6° | 60.1° |
C4' | O09 | C10 | H19 | 2.6° | 60.0° |
C4' | C5' | N1' | H15 | 120.0° | 118.8° |
C4' | C5' | N1' | H16 | 120.0° | 118.9° |
C5' | C4' | C3' | H10 | 157.8° | 118.9° |
C4' | C5' | N1' | H13 | 113.8° | 80.0° |
C4' | C5' | H15 | H16 | 122.8° | 122.5° |
C5' | N1' | C2' | H11 | 103.5° | 158.3° |
C5' | N1' | C2' | H12 | 136.5° | 79.2° |
N1' | C5' | H15 | H16 | 122.7° | 122.3° |
N1' | C5' | C4' | H17 | 95.1° | 95.1° |
C11 | N12 | C13 | H22 | 120.0° | 123.9° |
C11 | N12 | C13 | C21 | 75.5° | 180.0° |
N12 | C11 | C10 | H18 | 75.6° | 55.0° |
N12 | C11 | C10 | H19 | 164.4° | 175.0° |
N12 | C11 | H20 | H21 | 119.0° | 120.0° |
C11 | N12 | C13 | H24 | 44.5° | 60.1° |
C11 | N12 | C13 | H25 | 164.5° | 60.0° |
N12 | C13 | C21 | H24 | 120.0° | 119.9° |
N12 | C13 | C21 | H25 | 120.0° | 120.0° |
N12 | C13 | C21 | C22 | 113.1° | 80.0° |
N12 | C13 | C21 | C26 | 66.2° | 100.3° |
C13 | N12 | C11 | H20 | 87.2° | 60.0° |
C13 | N12 | C11 | H21 | 32.8° | 59.9° |
N12 | C13 | H24 | H25 | 119.3° | 120.0° |
C13 | C21 | C22 | O22 | 0.4° | 0.0° |
C13 | C21 | C22 | C26 | 179.3° | 179.7° |
C13 | C21 | C22 | C23 | 179.2° | 180.0° |
C13 | C21 | C26 | C25 | 179.5° | 180.0° |
C21 | C13 | N12 | H22 | 164.4° | 56.1° |
C21 | C13 | H24 | H25 | 119.3° | 120.0° |
C13 | C21 | C26 | H29 | 0.5° | 0.0° |
O22 | C22 | C21 | C23 | 179.5° | 180.0° |
O22 | C22 | C21 | C26 | 179.6° | 179.7° |
O22 | C22 | C23 | C24 | 179.9° | 180.0° |
C22 | O22 | C27 | H26 | 180.0° | 60.0° |
C22 | O22 | C27 | H27 | 60.0° | 179.9° |
C22 | O22 | C27 | H28 | 60.0° | 60.0° |
O22 | C22 | C23 | H32 | 0.1° | 0.0° |
C27 | O22 | C22 | C21 | 164.9° | 180.0° |
C27 | O22 | C22 | C23 | 15.6° | 0.0° |
O22 | C27 | H26 | H27 | 120.0° | 120.1° |
O22 | C27 | H26 | H28 | 120.0° | 120.0° |
O22 | C27 | H27 | H28 | 120.0° | 120.0° |
C22 | C21 | C26 | C25 | 0.2° | 0.3° |
C21 | C22 | C23 | C24 | 0.4° | 0.1° |
C22 | C21 | C13 | H24 | 6.9° | 40.0° |
C22 | C21 | C13 | H25 | 126.9° | 160.0° |
C22 | C21 | C26 | H29 | 179.8° | 179.7° |
C21 | C22 | C23 | H32 | 179.6° | 179.9° |
C26 | C21 | C22 | C23 | 0.1° | 0.3° |
C21 | C26 | C25 | H29 | 180.0° | 180.0° |
C21 | C26 | C25 | C24 | 0.2° | 0.1° |
C26 | C21 | C13 | H24 | 173.8° | 139.7° |
C26 | C21 | C13 | H25 | 53.8° | 19.7° |
C21 | C26 | C25 | H30 | 179.8° | 180.0° |
C22 | C23 | C24 | H32 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 0.3° | 0.2° |
C22 | C23 | C24 | H31 | 179.7° | 179.9° |
C26 | C25 | C24 | C23 | 0.0° | 0.2° |
C26 | C25 | C24 | H30 | 180.0° | 179.9° |
C26 | C25 | C24 | H31 | 180.0° | 179.9° |
C23 | C24 | C25 | H31 | 180.0° | 179.7° |
C23 | C24 | C25 | H30 | 180.0° | 179.7° |
C24 | C25 | C26 | H29 | 179.8° | 180.0° |
C25 | C24 | C23 | H32 | 179.7° | 179.8° |
H4 | C07 | H5 | H6 | 120.0° | 120.1° |
H8 | C08 | C3' | H10 | 177.5° | 175.6° |
H9 | C08 | C3' | H10 | 62.5° | 64.4° |
H10 | C3' | C2' | H11 | 35.1° | 23.7° |
H10 | C3' | C2' | H12 | 84.9° | 146.1° |
H10 | C3' | C4' | H17 | 37.1° | 0.1° |
H11 | C2' | N1' | H13 | 16.5° | 38.7° |
H12 | C2' | N1' | H13 | 103.5° | 161.2° |
H13 | N1' | C5' | H15 | 126.2° | 38.8° |
H13 | N1' | C5' | H16 | 6.2° | 161.1° |
H15 | C5' | C4' | H17 | 144.9° | 23.7° |
H16 | C5' | C4' | H17 | 24.8° | 146.1° |
H18 | C10 | C11 | H20 | 44.4° | 65.0° |
H18 | C10 | C11 | H21 | 164.4° | 175.0° |
H19 | C10 | C11 | H20 | 75.6° | 55.0° |
H19 | C10 | C11 | H21 | 44.5° | 65.0° |
H20 | C11 | N12 | H22 | 152.7° | 176.1° |
H21 | C11 | N12 | H22 | 87.2° | 64.0° |
H22 | N12 | C13 | H24 | 75.6° | 176.0° |
H22 | N12 | C13 | H25 | 44.4° | 63.9° |
H26 | C27 | H27 | H28 | 119.9° | 120.0° |
H29 | C26 | C25 | H30 | 0.2° | 0.0° |
H30 | C25 | C24 | H31 | 0.0° | 0.0° |
H31 | C24 | C23 | H32 | 0.3° | 0.1° |