5QR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.21Å | 1.25Å | |
| C13 | O15 | sing | 1.35Å | 1.23Å | |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C12 | C11 | doub | 1.40Å | 1.36Å | Aromatic |
| C12 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C08 | doub | 1.39Å | 1.29Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
| C08 | N07 | sing | 1.40Å | 1.49Å | |
| N07 | C05 | sing | 1.35Å | 1.45Å | |
| C01 | N02 | sing | 1.46Å | 1.49Å | |
| C03 | N02 | sing | 1.35Å | 1.33Å | |
| C03 | C04 | doub | 1.38Å | 1.41Å | |
| C05 | O06 | doub | 1.22Å | 1.17Å | |
| C05 | C04 | sing | 1.47Å | 1.59Å | |
| N02 | C19 | sing | 1.35Å | 1.33Å | |
| C04 | C17 | sing | 1.42Å | 1.38Å | |
| C19 | O20 | doub | 1.22Å | 1.20Å | |
| C19 | C18 | sing | 1.41Å | 1.43Å | |
| C17 | C18 | doub | 1.36Å | 1.39Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| N07 | H8 | sing | 0.97Å | 1.00Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | O15 | 115.8° | 120.0° |
| O14 | C13 | C12 | 120.6° | 120.0° |
| O15 | C13 | C12 | 123.4° | 120.0° |
| C13 | O15 | H10 | 109.5° | 117.0° |
| C13 | C12 | C11 | 125.7° | 120.1° |
| C13 | C12 | C16 | 115.1° | 120.1° |
| C11 | C12 | C16 | 119.0° | 119.8° |
| C12 | C11 | C10 | 121.9° | 120.0° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C12 | C16 | C08 | 117.3° | 119.7° |
| C12 | C16 | H9 | 121.4° | 120.2° |
| C11 | C10 | C09 | 118.1° | 120.2° |
| C11 | C10 | H1 | 120.9° | 119.9° |
| C10 | C11 | H11 | 119.1° | 120.0° |
| C10 | C09 | C08 | 117.4° | 120.2° |
| C09 | C10 | H1 | 121.0° | 119.9° |
| C10 | C09 | H12 | 121.3° | 119.9° |
| C16 | C08 | C09 | 126.2° | 120.0° |
| C16 | C08 | N07 | 111.4° | 120.0° |
| C08 | C16 | H9 | 121.3° | 120.1° |
| C09 | C08 | N07 | 122.4° | 120.0° |
| C08 | C09 | H12 | 121.3° | 119.8° |
| C08 | N07 | C05 | 129.7° | 120.0° |
| C08 | N07 | H8 | 115.1° | 120.0° |
| N07 | C05 | O06 | 126.9° | 120.0° |
| N07 | C05 | C04 | 117.2° | 120.0° |
| C05 | N07 | H8 | 115.1° | 120.0° |
| C01 | N02 | C03 | 116.2° | 119.5° |
| C01 | N02 | C19 | 120.5° | 119.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C03 | C04 | 123.1° | 120.5° |
| C03 | N02 | C19 | 123.3° | 121.0° |
| N02 | C03 | H7 | 118.5° | 119.7° |
| C03 | C04 | C05 | 120.3° | 120.3° |
| C03 | C04 | C17 | 116.7° | 119.5° |
| C04 | C03 | H7 | 118.4° | 119.8° |
| O06 | C05 | C04 | 115.7° | 120.0° |
| C05 | C04 | C17 | 122.8° | 120.2° |
| N02 | C19 | O20 | 121.5° | 119.7° |
| N02 | C19 | C18 | 115.4° | 120.5° |
| C04 | C17 | C18 | 118.2° | 119.0° |
| C04 | C17 | H2 | 120.9° | 120.5° |
| O20 | C19 | C18 | 123.1° | 119.8° |
| C19 | C18 | C17 | 123.1° | 119.5° |
| C19 | C18 | H6 | 118.4° | 120.3° |
| C18 | C17 | H2 | 120.9° | 120.5° |
| C17 | C18 | H6 | 118.4° | 120.2° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | O15 | C12 | 175.2° | 180.0° |
| O14 | C13 | C12 | C11 | 0.5° | 180.0° |
| O14 | C13 | C12 | C16 | 174.3° | 0.5° |
| O14 | C13 | O15 | H10 | 0.0° | 0.1° |
| O15 | C13 | C12 | C11 | 175.6° | 0.0° |
| O15 | C13 | C12 | C16 | 0.8° | 179.5° |
| C13 | C12 | C11 | C16 | 174.6° | 179.5° |
| C13 | C12 | C11 | C10 | 175.4° | 179.9° |
| C13 | C12 | C16 | C08 | 176.6° | 179.7° |
| C13 | C12 | C16 | H9 | 3.4° | 0.3° |
| C12 | C13 | O15 | H10 | 175.2° | 180.0° |
| C13 | C12 | C11 | H11 | 4.6° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 2.5° | 0.1° |
| C11 | C12 | C16 | C08 | 1.4° | 0.8° |
| C12 | C11 | C10 | H1 | 177.5° | 179.8° |
| C11 | C12 | C16 | H9 | 178.6° | 179.8° |
| C16 | C12 | C11 | C10 | 0.8° | 0.6° |
| C12 | C16 | C08 | H9 | 180.0° | 179.4° |
| C12 | C16 | C08 | C09 | 1.3° | 0.5° |
| C12 | C16 | C08 | N07 | 177.5° | 179.5° |
| C16 | C12 | C11 | H11 | 179.2° | 179.5° |
| C11 | C10 | C09 | H1 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 4.9° | 0.2° |
| C11 | C10 | C09 | H12 | 175.1° | 179.8° |
| C10 | C09 | C08 | C16 | 4.6° | 0.0° |
| C10 | C09 | C08 | H12 | 180.0° | 180.0° |
| C10 | C09 | C08 | N07 | 179.7° | 180.0° |
| C09 | C10 | C11 | H11 | 177.5° | 180.0° |
| C16 | C08 | C09 | N07 | 175.7° | 180.0° |
| C16 | C08 | N07 | C05 | 55.6° | 33.4° |
| C16 | C08 | N07 | H8 | 124.4° | 146.7° |
| C16 | C08 | C09 | H12 | 175.4° | 180.0° |
| C09 | C08 | N07 | C05 | 128.1° | 146.6° |
| C08 | C09 | C10 | H1 | 175.1° | 179.9° |
| C09 | C08 | N07 | H8 | 51.9° | 33.3° |
| C09 | C08 | C16 | H9 | 178.7° | 179.9° |
| C08 | N07 | C05 | H8 | 180.0° | 179.9° |
| C08 | N07 | C05 | O06 | 7.9° | 5.2° |
| C08 | N07 | C05 | C04 | 177.8° | 174.7° |
| N07 | C08 | C16 | H9 | 2.5° | 0.1° |
| N07 | C08 | C09 | H12 | 0.3° | 0.0° |
| N07 | C05 | C04 | C03 | 40.1° | 180.0° |
| N07 | C05 | O06 | C04 | 174.4° | 179.9° |
| N07 | C05 | C04 | C17 | 144.4° | 0.1° |
| C01 | N02 | C03 | C19 | 178.8° | 180.0° |
| C01 | N02 | C03 | C04 | 179.7° | 179.8° |
| C01 | N02 | C19 | O20 | 0.7° | 0.0° |
| C01 | N02 | C19 | C18 | 179.4° | 179.5° |
| N02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N02 | C01 | H3 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | N02 | C03 | H7 | 0.2° | 0.0° |
| N02 | C03 | C04 | H7 | 180.0° | 179.8° |
| N02 | C03 | C04 | C05 | 178.1° | 180.0° |
| N02 | C03 | C04 | C17 | 2.3° | 0.0° |
| C03 | N02 | C19 | O20 | 179.5° | 180.0° |
| C03 | N02 | C19 | C18 | 0.6° | 0.6° |
| C03 | N02 | C01 | H3 | 180.0° | 180.0° |
| C03 | N02 | C01 | H4 | 60.0° | 60.0° |
| C03 | N02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C04 | C05 | O06 | 144.9° | 0.1° |
| C03 | C04 | C05 | C17 | 175.5° | 180.0° |
| C04 | C03 | N02 | C19 | 0.9° | 0.3° |
| C03 | C04 | C17 | C18 | 3.3° | 0.0° |
| C03 | C04 | C17 | H2 | 176.7° | 179.7° |
| O06 | C05 | C04 | C17 | 30.6° | 180.0° |
| O06 | C05 | N07 | H8 | 172.1° | 174.7° |
| C05 | C04 | C17 | C18 | 179.0° | 180.0° |
| C05 | C04 | C17 | H2 | 1.1° | 0.2° |
| C05 | C04 | C03 | H7 | 1.9° | 0.2° |
| C04 | C05 | N07 | H8 | 2.2° | 5.4° |
| N02 | C19 | O20 | C18 | 179.9° | 179.4° |
| N02 | C19 | C18 | C17 | 1.8° | 0.6° |
| C19 | N02 | C01 | H3 | 1.2° | 0.0° |
| C19 | N02 | C01 | H4 | 118.8° | 120.0° |
| C19 | N02 | C01 | H5 | 121.2° | 120.0° |
| N02 | C19 | C18 | H6 | 178.2° | 179.5° |
| C19 | N02 | C03 | H7 | 179.1° | 179.9° |
| C04 | C17 | C18 | C19 | 3.3° | 0.3° |
| C04 | C17 | C18 | H2 | 180.0° | 179.7° |
| C04 | C17 | C18 | H6 | 176.7° | 179.8° |
| C17 | C04 | C03 | H7 | 177.7° | 179.8° |
| O20 | C19 | C18 | C17 | 178.3° | 180.0° |
| O20 | C19 | C18 | H6 | 1.7° | 0.1° |
| C19 | C18 | C17 | H6 | 180.0° | 179.9° |
| C19 | C18 | C17 | H2 | 176.7° | 180.0° |
| H1 | C10 | C11 | H11 | 2.5° | 0.2° |
| H1 | C10 | C09 | H12 | 4.9° | 0.0° |
| H2 | C17 | C18 | H6 | 3.3° | 0.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
