OSY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N28 | C27 | sing | 1.47Å | 1.48Å | |
C27 | C24 | sing | 1.51Å | 1.52Å | |
C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C21 | C08 | sing | 1.48Å | 1.49Å | |
C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
N01 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
N01 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
C10 | C05 | sing | 1.42Å | 1.38Å | Aromatic |
N02 | C02 | sing | 1.39Å | 1.36Å | |
C07 | C06 | doub | 1.36Å | 1.39Å | Aromatic |
C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
C04 | C11 | sing | 1.51Å | 1.49Å | |
N28 | H1 | sing | 1.01Å | 1.00Å | |
N28 | H2 | sing | 1.01Å | 1.00Å | |
C27 | H4 | sing | 1.09Å | 1.10Å | |
C27 | H5 | sing | 1.09Å | 1.10Å | |
C23 | H6 | sing | 1.08Å | 1.08Å | |
C22 | H7 | sing | 1.08Å | 1.08Å | |
C25 | H8 | sing | 1.08Å | 1.08Å | |
C26 | H9 | sing | 1.08Å | 1.08Å | |
C09 | H10 | sing | 1.08Å | 1.08Å | |
C07 | H11 | sing | 1.08Å | 1.08Å | |
C06 | H12 | sing | 1.08Å | 1.08Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C03 | H16 | sing | 1.08Å | 1.08Å | |
N02 | H17 | sing | 0.97Å | 1.00Å | |
N02 | H18 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N28 | C27 | C24 | 111.9° | 109.4° |
C27 | N28 | H1 | 109.5° | 111.0° |
C27 | N28 | H2 | 109.4° | 110.9° |
N28 | C27 | H4 | 108.9° | 109.5° |
N28 | C27 | H5 | 108.9° | 109.5° |
C27 | C24 | C23 | 120.4° | 119.9° |
C27 | C24 | C25 | 120.2° | 119.9° |
C24 | C27 | H4 | 108.8° | 109.5° |
C24 | C27 | H5 | 108.9° | 109.5° |
C23 | C24 | C25 | 119.4° | 120.3° |
C24 | C23 | C22 | 120.8° | 120.2° |
C24 | C23 | H6 | 119.6° | 119.9° |
C24 | C25 | C26 | 119.6° | 120.1° |
C24 | C25 | H8 | 120.2° | 120.0° |
C23 | C22 | C21 | 119.7° | 119.8° |
C22 | C23 | H6 | 119.6° | 119.9° |
C23 | C22 | H7 | 120.2° | 120.1° |
C25 | C26 | C21 | 121.0° | 119.9° |
C26 | C25 | H8 | 120.2° | 120.0° |
C25 | C26 | H9 | 119.5° | 120.0° |
C22 | C21 | C26 | 119.3° | 119.8° |
C22 | C21 | C08 | 125.0° | 120.1° |
C21 | C22 | H7 | 120.1° | 120.1° |
C26 | C21 | C08 | 115.6° | 120.1° |
C21 | C26 | H9 | 119.5° | 120.1° |
C21 | C08 | C09 | 119.4° | 119.7° |
C21 | C08 | C07 | 121.0° | 119.7° |
C08 | C09 | C10 | 120.3° | 119.6° |
C09 | C08 | C07 | 119.5° | 120.6° |
C08 | C09 | H10 | 119.8° | 120.2° |
C09 | C10 | N01 | 120.3° | 120.9° |
C09 | C10 | C05 | 120.1° | 119.2° |
C10 | C09 | H10 | 119.8° | 120.2° |
C08 | C07 | C06 | 120.1° | 120.7° |
C08 | C07 | H11 | 120.0° | 119.7° |
C10 | N01 | C02 | 122.9° | 121.3° |
N01 | C10 | C05 | 119.6° | 119.9° |
N01 | C02 | N02 | 118.2° | 119.2° |
N01 | C02 | C03 | 119.6° | 121.5° |
C10 | C05 | C06 | 120.0° | 119.9° |
C10 | C05 | C04 | 119.1° | 119.1° |
N02 | C02 | C03 | 122.2° | 119.3° |
C02 | N02 | H17 | 109.5° | 120.0° |
C02 | N02 | H18 | 109.4° | 120.1° |
C07 | C06 | C05 | 120.1° | 120.0° |
C06 | C07 | H11 | 120.0° | 119.6° |
C07 | C06 | H12 | 120.0° | 120.0° |
C02 | C03 | C04 | 118.0° | 119.9° |
C02 | C03 | H16 | 121.0° | 120.0° |
C06 | C05 | C04 | 121.0° | 121.1° |
C05 | C06 | H12 | 119.9° | 120.0° |
C05 | C04 | C03 | 120.8° | 118.3° |
C05 | C04 | C11 | 117.4° | 120.8° |
C03 | C04 | C11 | 121.8° | 120.8° |
C04 | C03 | H16 | 121.0° | 120.1° |
C04 | C11 | H13 | 109.5° | 109.5° |
C04 | C11 | H14 | 109.5° | 109.5° |
C04 | C11 | H15 | 109.5° | 109.5° |
H1 | N28 | H2 | 109.5° | 111.0° |
H4 | C27 | H5 | 109.5° | 109.6° |
H13 | C11 | H14 | 109.5° | 109.5° |
H13 | C11 | H15 | 109.5° | 109.5° |
H14 | C11 | H15 | 109.5° | 109.4° |
H17 | N02 | H18 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N28 | C27 | C24 | H4 | 120.4° | 119.9° |
N28 | C27 | C24 | H5 | 120.4° | 120.0° |
N28 | C27 | C24 | C23 | 164.3° | 90.0° |
N28 | C27 | C24 | C25 | 15.5° | 90.3° |
C27 | N28 | H1 | H2 | 120.0° | 123.9° |
N28 | C27 | H4 | H5 | 118.9° | 120.1° |
C27 | C24 | C23 | C25 | 179.8° | 179.6° |
C27 | C24 | C23 | C22 | 179.9° | 180.0° |
C27 | C24 | C25 | C26 | 179.4° | 179.9° |
C24 | C27 | N28 | H1 | 180.0° | 56.1° |
C24 | C27 | N28 | H2 | 60.0° | 180.0° |
C24 | C27 | H4 | H5 | 118.9° | 120.0° |
C27 | C24 | C23 | H6 | 0.1° | 0.1° |
C27 | C24 | C25 | H8 | 0.5° | 0.1° |
C24 | C23 | C22 | H6 | 180.0° | 180.0° |
C23 | C24 | C25 | C26 | 0.3° | 0.3° |
C24 | C23 | C22 | C21 | 1.2° | 0.1° |
C23 | C24 | C27 | H4 | 75.4° | 29.9° |
C23 | C24 | C27 | H5 | 43.9° | 150.0° |
C24 | C23 | C22 | H7 | 178.8° | 179.9° |
C23 | C24 | C25 | H8 | 179.7° | 179.7° |
C25 | C24 | C23 | C22 | 0.1° | 0.3° |
C24 | C25 | C26 | H8 | 180.0° | 180.0° |
C24 | C25 | C26 | C21 | 0.4° | 0.0° |
C25 | C24 | C27 | H4 | 104.9° | 149.7° |
C25 | C24 | C27 | H5 | 135.9° | 29.7° |
C25 | C24 | C23 | H6 | 179.9° | 179.7° |
C24 | C25 | C26 | H9 | 179.7° | 180.0° |
C23 | C22 | C21 | H7 | 180.0° | 180.0° |
C23 | C22 | C21 | C26 | 1.9° | 0.3° |
C23 | C22 | C21 | C08 | 178.7° | 180.0° |
C25 | C26 | C21 | C22 | 1.5° | 0.3° |
C25 | C26 | C21 | H9 | 180.0° | 180.0° |
C25 | C26 | C21 | C08 | 178.6° | 179.9° |
C22 | C21 | C26 | C08 | 177.1° | 179.8° |
C22 | C21 | C08 | C09 | 135.4° | 179.7° |
C22 | C21 | C08 | C07 | 48.1° | 0.0° |
C21 | C22 | C23 | H6 | 178.7° | 180.0° |
C22 | C21 | C26 | H9 | 178.5° | 179.7° |
C26 | C21 | C08 | C09 | 47.8° | 0.5° |
C26 | C21 | C08 | C07 | 128.8° | 179.8° |
C26 | C21 | C22 | H7 | 178.1° | 179.8° |
C21 | C26 | C25 | H8 | 179.6° | 180.0° |
C21 | C08 | C09 | C07 | 176.6° | 179.7° |
C21 | C08 | C09 | C10 | 178.1° | 180.0° |
C21 | C08 | C07 | C06 | 177.2° | 180.0° |
C08 | C21 | C22 | H7 | 1.3° | 0.0° |
C08 | C21 | C26 | H9 | 1.5° | 0.1° |
C21 | C08 | C09 | H10 | 1.9° | 0.0° |
C21 | C08 | C07 | H11 | 2.8° | 0.0° |
C08 | C09 | C10 | H10 | 180.0° | 179.9° |
C08 | C09 | C10 | N01 | 179.5° | 179.5° |
C08 | C09 | C10 | C05 | 1.3° | 0.1° |
C09 | C08 | C07 | C06 | 0.7° | 0.3° |
C09 | C08 | C07 | H11 | 179.3° | 179.7° |
C10 | C09 | C08 | C07 | 1.5° | 0.3° |
C09 | C10 | N01 | C05 | 179.2° | 179.6° |
C09 | C10 | N01 | C02 | 179.6° | 180.0° |
C09 | C10 | C05 | C06 | 0.2° | 0.2° |
C09 | C10 | C05 | C04 | 179.0° | 180.0° |
C08 | C07 | C06 | H11 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 0.4° | 0.0° |
C07 | C08 | C09 | H10 | 178.5° | 179.8° |
C08 | C07 | C06 | H12 | 179.6° | 180.0° |
C10 | N01 | C02 | N02 | 179.5° | 179.7° |
C10 | N01 | C02 | C03 | 0.7° | 0.2° |
N01 | C10 | C05 | C06 | 179.4° | 179.8° |
N01 | C10 | C05 | C04 | 0.2° | 0.5° |
N01 | C10 | C09 | H10 | 0.5° | 0.4° |
C02 | N01 | C10 | C05 | 0.4° | 0.5° |
N01 | C02 | N02 | C03 | 179.8° | 179.9° |
N01 | C02 | C03 | C04 | 0.4° | 0.1° |
N01 | C02 | C03 | H16 | 179.6° | 180.0° |
N01 | C02 | N02 | H17 | 0.0° | 180.0° |
N01 | C02 | N02 | H18 | 120.0° | 0.0° |
C10 | C05 | C06 | C07 | 0.6° | 0.2° |
C10 | C05 | C06 | C04 | 179.2° | 179.8° |
C10 | C05 | C04 | C03 | 0.5° | 0.2° |
C10 | C05 | C04 | C11 | 179.1° | 179.8° |
C05 | C10 | C09 | H10 | 178.7° | 180.0° |
C10 | C05 | C06 | H12 | 179.4° | 179.7° |
N02 | C02 | C03 | C04 | 179.8° | 180.0° |
N02 | C02 | C03 | H16 | 0.2° | 0.0° |
C02 | N02 | H17 | H18 | 120.0° | 180.0° |
C07 | C06 | C05 | H12 | 180.0° | 179.9° |
C07 | C06 | C05 | C04 | 179.8° | 180.0° |
C02 | C03 | C04 | C05 | 0.2° | 0.1° |
C02 | C03 | C04 | H16 | 180.0° | 179.9° |
C02 | C03 | C04 | C11 | 179.4° | 179.9° |
C03 | C02 | N02 | H17 | 179.8° | 0.1° |
C03 | C02 | N02 | H18 | 59.8° | 180.0° |
C06 | C05 | C04 | C03 | 179.7° | 179.9° |
C06 | C05 | C04 | C11 | 0.1° | 0.0° |
C05 | C06 | C07 | H11 | 179.6° | 180.0° |
C05 | C04 | C03 | C11 | 179.6° | 180.0° |
C04 | C05 | C06 | H12 | 0.2° | 0.0° |
C05 | C04 | C11 | H13 | 90.2° | 90.0° |
C05 | C04 | C11 | H14 | 149.8° | 150.0° |
C05 | C04 | C11 | H15 | 29.8° | 30.0° |
C05 | C04 | C03 | H16 | 179.8° | 180.0° |
C03 | C04 | C11 | H13 | 90.2° | 90.0° |
C03 | C04 | C11 | H14 | 29.8° | 30.0° |
C03 | C04 | C11 | H15 | 149.8° | 150.0° |
C04 | C11 | H13 | H14 | 120.0° | 120.0° |
C04 | C11 | H13 | H15 | 120.0° | 120.0° |
C04 | C11 | H14 | H15 | 120.0° | 120.0° |
C11 | C04 | C03 | H16 | 0.6° | 0.0° |
H1 | N28 | C27 | H4 | 59.6° | 176.0° |
H1 | N28 | C27 | H5 | 59.6° | 63.9° |
H2 | N28 | C27 | H4 | 60.4° | 60.1° |
H2 | N28 | C27 | H5 | 179.6° | 60.0° |
H6 | C23 | C22 | H7 | 1.3° | 0.0° |
H8 | C25 | C26 | H9 | 0.4° | 0.0° |
H11 | C07 | C06 | H12 | 0.4° | 0.1° |
H13 | C11 | H14 | H15 | 120.0° | 120.0° |