OAZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N19 | N18 | doub | 1.12Å | 1.24Å | |
C14 | O13 | sing | 1.45Å | 1.43Å | |
C14 | C15 | sing | 1.51Å | 1.50Å | |
O13 | C11 | sing | 1.35Å | 1.37Å | |
N18 | N17 | doub | 1.12Å | 1.15Å | |
C11 | O12 | doub | 1.21Å | 1.23Å | |
N17 | C16 | sing | 1.32Å | 1.42Å | |
C15 | C16 | doub | 1.42Å | 1.40Å | Aromatic |
C15 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
C16 | C20 | sing | 1.42Å | 1.40Å | Aromatic |
C23 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
C20 | C21 | doub | 1.36Å | 1.40Å | Aromatic |
C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C14 | H3 | sing | 1.09Å | 1.10Å | |
C20 | H5 | sing | 1.08Å | 1.08Å | |
C21 | H6 | sing | 1.08Å | 1.08Å | |
C22 | H7 | sing | 1.08Å | 1.08Å | |
C23 | H8 | sing | 1.08Å | 1.08Å | |
C11 | OXT | sing | 1.35Å | 1.47Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N19 | N18 | N17 | 179.7° | 179.9° |
O13 | C14 | C15 | 107.3° | 109.5° |
C14 | O13 | C11 | 114.1° | 116.9° |
O13 | C14 | H2 | 110.0° | 109.4° |
O13 | C14 | H3 | 110.0° | 109.5° |
C14 | C15 | C16 | 121.7° | 120.2° |
C14 | C15 | C23 | 118.6° | 120.2° |
C15 | C14 | H2 | 110.0° | 109.5° |
C15 | C14 | H3 | 110.0° | 109.5° |
O13 | C11 | O12 | 120.0° | 120.1° |
O13 | C11 | OXT | 119.7° | 120.0° |
N18 | N17 | C16 | 121.7° | 120.0° |
O12 | C11 | OXT | 120.2° | 120.0° |
N17 | C16 | C15 | 123.2° | 120.3° |
N17 | C16 | C20 | 117.1° | 120.4° |
C16 | C15 | C23 | 119.7° | 119.6° |
C15 | C16 | C20 | 119.7° | 119.3° |
C15 | C23 | C22 | 120.4° | 120.3° |
C15 | C23 | H8 | 119.8° | 119.8° |
C16 | C20 | C21 | 120.7° | 119.7° |
C16 | C20 | H5 | 119.7° | 120.1° |
C23 | C22 | C21 | 120.0° | 120.7° |
C23 | C22 | H7 | 120.0° | 119.7° |
C22 | C23 | H8 | 119.8° | 119.8° |
C20 | C21 | C22 | 119.5° | 120.3° |
C21 | C20 | H5 | 119.7° | 120.2° |
C20 | C21 | H6 | 120.3° | 119.9° |
C22 | C21 | H6 | 120.3° | 119.8° |
C21 | C22 | H7 | 120.0° | 119.6° |
H2 | C14 | H3 | 109.5° | 109.5° |
C11 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N19 | N18 | N17 | C16 | 169.4° | 133.0° |
O13 | C14 | C15 | H2 | 119.7° | 119.9° |
O13 | C14 | C15 | H3 | 119.7° | 120.0° |
C14 | O13 | C11 | O12 | 0.5° | 0.0° |
O13 | C14 | C15 | C16 | 143.5° | 180.0° |
O13 | C14 | C15 | C23 | 36.0° | 0.3° |
O13 | C14 | H2 | H3 | 121.0° | 120.0° |
C14 | O13 | C11 | OXT | 179.9° | 179.7° |
C15 | C14 | O13 | C11 | 93.8° | 180.0° |
C14 | C15 | C16 | N17 | 0.5° | 0.1° |
C14 | C15 | C16 | C23 | 179.5° | 179.8° |
C14 | C15 | C16 | C20 | 179.8° | 180.0° |
C14 | C15 | C23 | C22 | 179.8° | 179.7° |
C15 | C14 | H2 | H3 | 121.0° | 120.0° |
C14 | C15 | C23 | H8 | 0.2° | 0.1° |
O13 | C11 | O12 | OXT | 179.3° | 179.8° |
C11 | O13 | C14 | H2 | 146.5° | 60.0° |
C11 | O13 | C14 | H3 | 25.8° | 60.0° |
O13 | C11 | OXT | HXT | 179.3° | 179.7° |
N18 | N17 | C16 | C15 | 0.3° | 179.9° |
N18 | N17 | C16 | C20 | 180.0° | 0.0° |
O12 | C11 | OXT | HXT | 0.0° | 0.0° |
N17 | C16 | C15 | C20 | 179.8° | 179.9° |
N17 | C16 | C15 | C23 | 179.9° | 179.7° |
N17 | C16 | C20 | C21 | 180.0° | 179.9° |
N17 | C16 | C20 | H5 | 0.0° | 0.0° |
C16 | C15 | C23 | C22 | 0.3° | 0.5° |
C15 | C16 | C20 | C21 | 0.2° | 0.0° |
C16 | C15 | C14 | H2 | 96.9° | 60.0° |
C16 | C15 | C14 | H3 | 23.8° | 60.0° |
C15 | C16 | C20 | H5 | 179.8° | 179.9° |
C16 | C15 | C23 | H8 | 179.8° | 179.7° |
C23 | C15 | C16 | C20 | 0.3° | 0.2° |
C15 | C23 | C22 | H8 | 180.0° | 179.8° |
C15 | C23 | C22 | C21 | 0.1° | 0.6° |
C23 | C15 | C14 | H2 | 83.6° | 120.2° |
C23 | C15 | C14 | H3 | 155.7° | 119.7° |
C15 | C23 | C22 | H7 | 179.8° | 179.8° |
C16 | C20 | C21 | H5 | 180.0° | 179.9° |
C16 | C20 | C21 | C22 | 0.1° | 0.0° |
C16 | C20 | C21 | H6 | 179.9° | 180.0° |
C23 | C22 | C21 | C20 | 0.0° | 0.3° |
C23 | C22 | C21 | H7 | 180.0° | 179.7° |
C23 | C22 | C21 | H6 | 180.0° | 179.7° |
C20 | C21 | C22 | H6 | 180.0° | 180.0° |
C20 | C21 | C22 | H7 | 180.0° | 180.0° |
C22 | C21 | C20 | H5 | 179.9° | 180.0° |
C21 | C22 | C23 | H8 | 179.9° | 179.6° |
H5 | C20 | C21 | H6 | 0.1° | 0.1° |
H6 | C21 | C22 | H7 | 0.0° | 0.0° |
H7 | C22 | C23 | H8 | 0.1° | 0.0° |