04G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C23 | sing | 1.36Å | 1.38Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | C28 | sing | 1.35Å | 1.36Å | |
N6 | C27 | doub | 1.32Å | 1.34Å | |
C21 | C26 | sing | 1.41Å | 1.38Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | O5 | sing | 1.35Å | 1.38Å | |
C26 | N6 | sing | 1.34Å | 1.36Å | |
C26 | C25 | doub | 1.42Å | 1.40Å | Aromatic |
C27 | C32 | sing | 1.46Å | 1.45Å | |
C27 | C28 | sing | 1.47Å | 1.44Å | |
C28 | C29 | doub | 1.36Å | 1.39Å | |
C29 | C30 | sing | 1.40Å | 1.42Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C30 | O6 | doub | 1.22Å | 1.38Å | |
C31 | C30 | sing | 1.42Å | 1.42Å | |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C32 | C31 | doub | 1.35Å | 1.38Å | |
C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | O4 | HO4 | 109.5° | 114.0° |
O4 | C23 | C22 | 120.5° | 119.8° |
O4 | C23 | C24 | 120.4° | 119.8° |
C28 | O5 | C25 | 118.5° | 119.2° |
O5 | C28 | C27 | 118.1° | 119.3° |
O5 | C28 | C29 | 118.9° | 121.5° |
C27 | N6 | C26 | 116.6° | 120.3° |
N6 | C27 | C32 | 119.8° | 121.2° |
N6 | C27 | C28 | 123.9° | 119.9° |
C26 | C21 | H21 | 119.5° | 120.0° |
C26 | C21 | C22 | 120.8° | 120.0° |
C21 | C26 | N6 | 120.1° | 119.7° |
C21 | C26 | C25 | 117.8° | 119.4° |
H21 | C21 | C22 | 119.6° | 120.0° |
C21 | C22 | C23 | 120.7° | 120.6° |
C21 | C22 | H22 | 119.7° | 119.7° |
C23 | C22 | H22 | 119.6° | 119.7° |
C22 | C23 | C24 | 119.0° | 120.5° |
C23 | C24 | C25 | 119.4° | 119.9° |
C23 | C24 | H24 | 120.3° | 120.0° |
C25 | C24 | H24 | 120.3° | 120.1° |
C24 | C25 | O5 | 117.1° | 119.9° |
C24 | C25 | C26 | 122.3° | 119.6° |
O5 | C25 | C26 | 120.6° | 120.5° |
N6 | C26 | C25 | 122.1° | 120.8° |
C32 | C27 | C28 | 116.3° | 118.9° |
C27 | C32 | C31 | 120.8° | 119.0° |
C27 | C32 | H32 | 119.6° | 120.5° |
C27 | C28 | C29 | 123.0° | 119.3° |
C28 | C29 | C30 | 119.1° | 120.3° |
C28 | C29 | H29 | 120.5° | 119.8° |
C30 | C29 | H29 | 120.5° | 119.9° |
C29 | C30 | O6 | 120.5° | 119.2° |
C29 | C30 | C31 | 119.5° | 121.6° |
O6 | C30 | C31 | 120.0° | 119.2° |
C30 | C31 | H31 | 119.3° | 119.5° |
C30 | C31 | C32 | 121.3° | 121.0° |
H31 | C31 | C32 | 119.4° | 119.5° |
C31 | C32 | H32 | 119.6° | 120.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C23 | C22 | C21 | 179.8° | 179.9° |
O4 | C23 | C22 | C24 | 179.9° | 180.0° |
O4 | C23 | C22 | H22 | 0.2° | 0.0° |
O4 | C23 | C24 | C25 | 180.0° | 180.0° |
O4 | C23 | C24 | H24 | 0.0° | 0.0° |
HO4 | O4 | C23 | C22 | 180.0° | 90.0° |
HO4 | O4 | C23 | C24 | 0.1° | 90.0° |
O5 | C28 | C27 | N6 | 4.9° | 0.1° |
C28 | O5 | C25 | C24 | 177.3° | 180.0° |
C28 | O5 | C25 | C26 | 5.0° | 0.0° |
O5 | C28 | C27 | C32 | 177.4° | 179.9° |
O5 | C28 | C27 | C29 | 178.2° | 179.9° |
O5 | C28 | C29 | C30 | 177.6° | 180.0° |
O5 | C28 | C29 | H29 | 2.4° | 0.1° |
C27 | N6 | C26 | C21 | 178.0° | 180.0° |
C27 | N6 | C26 | C25 | 3.4° | 0.1° |
N6 | C27 | C32 | C28 | 177.8° | 180.0° |
N6 | C27 | C28 | C29 | 176.9° | 180.0° |
N6 | C27 | C32 | C31 | 178.7° | 179.9° |
N6 | C27 | C32 | H32 | 1.3° | 0.0° |
C26 | C21 | H21 | C22 | 180.0° | 179.9° |
C26 | C21 | C22 | C23 | 0.1° | 0.1° |
C26 | C21 | C22 | H22 | 179.9° | 180.0° |
C21 | C26 | C25 | C24 | 0.3° | 0.0° |
C21 | C26 | C25 | O5 | 177.3° | 180.0° |
C21 | C26 | N6 | C25 | 178.6° | 179.9° |
H21 | C21 | C22 | C23 | 179.9° | 180.0° |
H21 | C21 | C22 | H22 | 0.1° | 0.1° |
H21 | C21 | C26 | N6 | 1.5° | 0.1° |
H21 | C21 | C26 | C25 | 179.9° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 0.1° | 0.0° |
C22 | C21 | C26 | N6 | 178.5° | 180.0° |
C22 | C21 | C26 | C25 | 0.1° | 0.1° |
C22 | C23 | C24 | C25 | 0.1° | 0.0° |
C22 | C23 | C24 | H24 | 179.9° | 180.0° |
H22 | C22 | C23 | C24 | 179.9° | 179.9° |
C23 | C24 | C25 | H24 | 180.0° | 180.0° |
C23 | C24 | C25 | O5 | 177.4° | 180.0° |
C23 | C24 | C25 | C26 | 0.3° | 0.0° |
C24 | C25 | O5 | C26 | 177.7° | 180.0° |
C24 | C25 | C26 | N6 | 178.3° | 180.0° |
H24 | C24 | C25 | O5 | 2.6° | 0.0° |
H24 | C24 | C25 | C26 | 179.7° | 180.0° |
O5 | C25 | C26 | N6 | 4.1° | 0.0° |
C25 | O5 | C28 | C27 | 5.2° | 0.1° |
C25 | O5 | C28 | C29 | 176.5° | 180.0° |
C26 | N6 | C27 | C32 | 178.5° | 179.9° |
C26 | N6 | C27 | C28 | 3.9° | 0.1° |
C32 | C27 | C28 | C29 | 0.8° | 0.0° |
C27 | C32 | C31 | C30 | 2.9° | 0.1° |
C27 | C32 | C31 | H31 | 177.2° | 179.9° |
C27 | C32 | C31 | H32 | 180.0° | 179.9° |
C27 | C28 | C29 | C30 | 0.5° | 0.1° |
C27 | C28 | C29 | H29 | 179.5° | 180.0° |
C28 | C27 | C32 | C31 | 0.9° | 0.0° |
C28 | C27 | C32 | H32 | 179.1° | 179.9° |
C28 | C29 | C30 | H29 | 180.0° | 179.9° |
C28 | C29 | C30 | O6 | 179.5° | 180.0° |
C28 | C29 | C30 | C31 | 1.4° | 0.0° |
C29 | C30 | O6 | C31 | 178.1° | 180.0° |
C29 | C30 | C31 | H31 | 176.9° | 180.0° |
C29 | C30 | C31 | C32 | 3.1° | 0.0° |
H29 | C29 | C30 | O6 | 0.5° | 0.1° |
H29 | C29 | C30 | C31 | 178.6° | 180.0° |
O6 | C30 | C31 | H31 | 1.2° | 0.1° |
O6 | C30 | C31 | C32 | 178.7° | 179.9° |
C30 | C31 | H31 | C32 | 180.0° | 180.0° |
C30 | C31 | C32 | H32 | 177.1° | 180.0° |
H31 | C31 | C32 | H32 | 2.8° | 0.0° |