7WH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | N | sing | 1.35Å | 1.42Å | |
| C1 | O | sing | 1.43Å | 1.41Å | |
| O | C | sing | 1.43Å | 1.40Å | |
| N | C3 | sing | 1.40Å | 1.45Å | |
| C3 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.45Å | |
| C6 | O3 | sing | 1.36Å | 1.36Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C13 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.36Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.46Å | |
| C14 | O2 | doub | 1.21Å | 1.21Å | |
| C14 | O1 | sing | 1.35Å | 1.33Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C2 | C1 | 119.4° | 120.0° |
| O4 | C2 | N | 126.0° | 120.0° |
| C1 | C2 | N | 114.6° | 120.0° |
| C2 | C1 | O | 105.9° | 109.4° |
| C2 | C1 | H11C | 110.4° | 109.4° |
| C2 | C1 | H12C | 110.4° | 109.4° |
| C2 | N | C3 | 130.2° | 120.0° |
| C2 | N | H | 114.9° | 120.0° |
| C1 | O | C | 113.0° | 114.0° |
| O | C1 | H11C | 110.3° | 109.5° |
| O | C1 | H12C | 110.3° | 109.5° |
| O | C | HC1 | 109.5° | 109.5° |
| O | C | HC2 | 109.5° | 109.4° |
| O | C | HC3 | 109.5° | 109.5° |
| N | C3 | C8 | 119.4° | 120.0° |
| N | C3 | C4 | 121.1° | 120.0° |
| C3 | N | H | 115.0° | 120.0° |
| C8 | C3 | C4 | 119.4° | 120.0° |
| C3 | C8 | C7 | 120.6° | 119.9° |
| C3 | C8 | H8 | 119.7° | 120.1° |
| C3 | C4 | C5 | 120.3° | 120.3° |
| C3 | C4 | H4 | 119.9° | 119.8° |
| C8 | C7 | C6 | 119.4° | 119.8° |
| C8 | C7 | C9 | 119.0° | 120.1° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C6 | C7 | C9 | 121.1° | 120.1° |
| C7 | C6 | O3 | 122.1° | 120.1° |
| C7 | C6 | C5 | 121.1° | 119.9° |
| C7 | C9 | N1 | 116.5° | 119.7° |
| C7 | C9 | C10 | 122.0° | 119.7° |
| O3 | C6 | C5 | 116.4° | 120.0° |
| C6 | O3 | H3 | 109.5° | 114.0° |
| C6 | C5 | C4 | 119.1° | 120.1° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C5 | C4 | H4 | 119.8° | 119.9° |
| C4 | C5 | H5 | 120.5° | 119.9° |
| N1 | C9 | C10 | 121.3° | 120.7° |
| C9 | N1 | C13 | 118.9° | 121.9° |
| C9 | C10 | C11 | 118.2° | 118.9° |
| C9 | C10 | H10 | 120.9° | 120.6° |
| N1 | C13 | C12 | 122.2° | 121.0° |
| N1 | C13 | H13 | 118.9° | 119.5° |
| C13 | C12 | C11 | 116.7° | 119.2° |
| C12 | C13 | H13 | 118.9° | 119.5° |
| C13 | C12 | H12 | 121.6° | 120.4° |
| C12 | C11 | C10 | 122.5° | 118.3° |
| C12 | C11 | C14 | 120.2° | 120.9° |
| C11 | C12 | H12 | 121.7° | 120.4° |
| C10 | C11 | C14 | 117.1° | 120.9° |
| C11 | C10 | H10 | 120.9° | 120.5° |
| C11 | C14 | O2 | 125.7° | 120.0° |
| C11 | C14 | O1 | 116.6° | 120.0° |
| O2 | C14 | O1 | 117.7° | 120.0° |
| C14 | O1 | H1 | 109.5° | 117.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.5° | 109.4° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C2 | C1 | N | 179.7° | 179.7° |
| O4 | C2 | C1 | O | 108.6° | 0.0° |
| O4 | C2 | N | C3 | 0.8° | 4.3° |
| O4 | C2 | C1 | H11C | 132.0° | 120.0° |
| O4 | C2 | C1 | H12C | 10.8° | 120.0° |
| O4 | C2 | N | H | 179.2° | 175.7° |
| C2 | C1 | O | H11C | 119.4° | 119.9° |
| C2 | C1 | O | H12C | 119.4° | 120.0° |
| C2 | C1 | O | C | 143.5° | 180.0° |
| C1 | C2 | N | C3 | 179.6° | 175.4° |
| C2 | C1 | H11C | H12C | 121.7° | 120.0° |
| C1 | C2 | N | H | 0.4° | 4.6° |
| N | C2 | C1 | O | 71.1° | 179.7° |
| C2 | N | C3 | H | 180.0° | 180.0° |
| C2 | N | C3 | C8 | 159.6° | 35.2° |
| C2 | N | C3 | C4 | 22.3° | 145.1° |
| N | C2 | C1 | H11C | 48.3° | 59.7° |
| N | C2 | C1 | H12C | 169.5° | 60.3° |
| O | C1 | H11C | H12C | 121.6° | 120.1° |
| C1 | O | C | HC1 | 180.0° | 180.0° |
| C1 | O | C | HC2 | 60.0° | 60.0° |
| C1 | O | C | HC3 | 60.0° | 59.9° |
| C | O | C1 | H11C | 97.1° | 60.1° |
| C | O | C1 | H12C | 24.1° | 60.0° |
| O | C | HC1 | HC2 | 120.0° | 119.9° |
| O | C | HC1 | HC3 | 120.0° | 120.1° |
| O | C | HC2 | HC3 | 120.0° | 120.0° |
| N | C3 | C8 | C4 | 178.2° | 179.7° |
| N | C3 | C8 | C7 | 177.4° | 180.0° |
| N | C3 | C4 | C5 | 176.7° | 179.8° |
| N | C3 | C8 | H8 | 2.6° | 0.1° |
| N | C3 | C4 | H4 | 3.3° | 0.1° |
| C3 | C8 | C7 | H8 | 180.0° | 179.9° |
| C3 | C8 | C7 | C6 | 0.4° | 0.1° |
| C3 | C8 | C7 | C9 | 172.0° | 180.0° |
| C8 | C3 | C4 | C5 | 1.4° | 0.5° |
| C8 | C3 | N | H | 20.4° | 144.8° |
| C8 | C3 | C4 | H4 | 178.6° | 179.8° |
| C4 | C3 | C8 | C7 | 0.8° | 0.3° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C4 | C3 | N | H | 157.7° | 34.9° |
| C4 | C3 | C8 | H8 | 179.2° | 179.8° |
| C3 | C4 | C5 | H5 | 179.2° | 179.7° |
| C8 | C7 | C6 | C9 | 171.4° | 180.0° |
| C8 | C7 | C6 | O3 | 174.4° | 180.0° |
| C8 | C7 | C6 | C5 | 1.0° | 0.1° |
| C8 | C7 | C9 | N1 | 153.9° | 130.8° |
| C8 | C7 | C9 | C10 | 20.7° | 49.0° |
| C7 | C6 | O3 | C5 | 173.6° | 180.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.3° |
| C6 | C7 | C9 | N1 | 17.6° | 49.3° |
| C6 | C7 | C9 | C10 | 167.8° | 130.9° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| C7 | C6 | C5 | H5 | 179.6° | 179.9° |
| C7 | C6 | O3 | H3 | 180.0° | 90.0° |
| C9 | C7 | C6 | O3 | 14.3° | 0.0° |
| C9 | C7 | C6 | C5 | 172.4° | 180.0° |
| C7 | C9 | N1 | C10 | 174.6° | 179.8° |
| C7 | C9 | N1 | C13 | 177.9° | 180.0° |
| C7 | C9 | C10 | C11 | 179.6° | 179.8° |
| C9 | C7 | C8 | H8 | 8.0° | 0.1° |
| C7 | C9 | C10 | H10 | 0.4° | 0.1° |
| O3 | C6 | C5 | C4 | 174.1° | 179.7° |
| O3 | C6 | C5 | H5 | 5.9° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | H4 | 179.2° | 179.8° |
| C5 | C6 | O3 | H3 | 6.4° | 90.0° |
| C9 | N1 | C13 | C12 | 1.2° | 0.1° |
| N1 | C9 | C10 | C11 | 6.1° | 0.4° |
| N1 | C9 | C10 | H10 | 173.9° | 179.7° |
| C9 | N1 | C13 | H13 | 178.8° | 180.0° |
| C10 | C9 | N1 | C13 | 3.3° | 0.2° |
| C9 | C10 | C11 | C12 | 4.6° | 0.4° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C14 | 170.6° | 179.8° |
| N1 | C13 | C12 | H13 | 180.0° | 179.9° |
| N1 | C13 | C12 | C11 | 2.7° | 0.1° |
| N1 | C13 | C12 | H12 | 177.4° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.2° |
| C13 | C12 | C11 | C14 | 174.7° | 180.0° |
| C12 | C11 | C10 | C14 | 175.2° | 179.8° |
| C12 | C11 | C14 | O2 | 23.6° | 180.0° |
| C12 | C11 | C14 | O1 | 157.0° | 0.0° |
| C12 | C11 | C10 | H10 | 175.5° | 179.7° |
| C11 | C12 | C13 | H13 | 177.3° | 180.0° |
| C10 | C11 | C14 | O2 | 151.7° | 0.2° |
| C10 | C11 | C14 | O1 | 27.7° | 179.8° |
| C10 | C11 | C12 | H12 | 179.7° | 179.8° |
| C11 | C14 | O2 | O1 | 179.4° | 180.0° |
| C14 | C11 | C10 | H10 | 9.3° | 0.1° |
| C14 | C11 | C12 | H12 | 5.3° | 0.1° |
| C11 | C14 | O1 | H1 | 179.5° | 180.0° |
| O2 | C14 | O1 | H1 | 0.0° | 0.1° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.8° | 0.0° |
| H13 | C13 | C12 | H12 | 2.7° | 0.0° |
