5OG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C12 | doub | 1.22Å | 1.17Å | |
| O4 | N2 | sing | 1.42Å | 1.31Å | |
| C12 | N2 | sing | 1.35Å | 1.44Å | |
| C12 | C11 | sing | 1.46Å | 1.51Å | |
| C11 | C10 | doub | 1.35Å | 1.32Å | |
| C10 | C9 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | S | doub | 1.42Å | 1.63Å | |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.41Å | |
| C7 | S | sing | 1.76Å | 1.75Å | |
| C7 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | S | sing | 1.66Å | 1.62Å | |
| S | O1 | doub | 1.42Å | 1.65Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C12 | N2 | 121.2° | 120.0° |
| O3 | C12 | C11 | 124.2° | 120.0° |
| O4 | N2 | C12 | 116.3° | 120.0° |
| O4 | N2 | H1 | 121.9° | 120.0° |
| N2 | O4 | H2 | 109.5° | 114.0° |
| N2 | C12 | C11 | 114.6° | 120.0° |
| C12 | N2 | H1 | 121.9° | 120.0° |
| C12 | C11 | C10 | 120.8° | 120.0° |
| C12 | C11 | H3 | 119.6° | 120.0° |
| C11 | C10 | C9 | 128.7° | 120.0° |
| C10 | C11 | H3 | 119.6° | 120.0° |
| C11 | C10 | H4 | 115.6° | 120.0° |
| C10 | C9 | C8 | 121.4° | 120.2° |
| C10 | C9 | C13 | 122.5° | 120.2° |
| C9 | C10 | H4 | 115.7° | 120.0° |
| C4 | C5 | C6 | 120.8° | 120.1° |
| C5 | C4 | C3 | 119.3° | 120.1° |
| C4 | C5 | H11 | 119.6° | 120.0° |
| C5 | C4 | H12 | 120.4° | 119.9° |
| C5 | C6 | C1 | 120.6° | 119.9° |
| C5 | C6 | H10 | 119.7° | 120.0° |
| C6 | C5 | H11 | 119.6° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C3 | C4 | H12 | 120.3° | 120.0° |
| C4 | C3 | H13 | 119.6° | 119.9° |
| C6 | C1 | C2 | 117.7° | 119.9° |
| C6 | C1 | N1 | 121.7° | 120.0° |
| C1 | C6 | H10 | 119.7° | 120.1° |
| C8 | C9 | C13 | 116.1° | 119.6° |
| C9 | C8 | C7 | 124.0° | 119.8° |
| C9 | C8 | H5 | 118.0° | 120.1° |
| C9 | C13 | C14 | 121.0° | 119.8° |
| C9 | C13 | H6 | 119.5° | 120.1° |
| C8 | C7 | S | 124.6° | 119.9° |
| C8 | C7 | C15 | 118.1° | 120.1° |
| C7 | C8 | H5 | 118.0° | 120.1° |
| C3 | C2 | C1 | 120.9° | 120.0° |
| C2 | C3 | H13 | 119.6° | 120.0° |
| C3 | C2 | H14 | 119.5° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.2° |
| C14 | C13 | H6 | 119.5° | 120.1° |
| C13 | C14 | H7 | 119.5° | 119.9° |
| O2 | S | C7 | 109.9° | 106.4° |
| O2 | S | N1 | 106.9° | 106.4° |
| O2 | S | O1 | 98.5° | 123.1° |
| C2 | C1 | N1 | 120.5° | 120.1° |
| C1 | C2 | H14 | 119.5° | 120.0° |
| C1 | N1 | S | 125.3° | 120.0° |
| C1 | N1 | H9 | 105.3° | 120.0° |
| S | C7 | C15 | 117.2° | 120.0° |
| C7 | S | N1 | 114.3° | 107.2° |
| C7 | S | O1 | 113.8° | 106.4° |
| C7 | C15 | C14 | 119.8° | 120.4° |
| C7 | C15 | H8 | 120.1° | 119.8° |
| C15 | C14 | H7 | 119.5° | 119.9° |
| C14 | C15 | H8 | 120.1° | 119.8° |
| N1 | S | O1 | 112.1° | 106.4° |
| S | N1 | H9 | 105.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C12 | N2 | O4 | 0.6° | 0.1° |
| O3 | C12 | N2 | C11 | 178.7° | 179.8° |
| O3 | C12 | C11 | C10 | 39.9° | 0.1° |
| O3 | C12 | N2 | H1 | 179.4° | 180.0° |
| O3 | C12 | C11 | H3 | 140.1° | 180.0° |
| O4 | N2 | C12 | H1 | 180.0° | 179.9° |
| O4 | N2 | C12 | C11 | 179.3° | 179.8° |
| N2 | C12 | C11 | C10 | 138.7° | 179.8° |
| C12 | N2 | O4 | H2 | 0.3° | 180.0° |
| N2 | C12 | C11 | H3 | 41.2° | 0.2° |
| C12 | C11 | C10 | H3 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 164.6° | 180.0° |
| C11 | C12 | N2 | H1 | 0.7° | 0.1° |
| C12 | C11 | C10 | H4 | 15.4° | 0.1° |
| C11 | C10 | C9 | H4 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 170.8° | 180.0° |
| C11 | C10 | C9 | C13 | 9.6° | 0.2° |
| C10 | C9 | C8 | C13 | 179.7° | 179.8° |
| C10 | C9 | C8 | C7 | 179.1° | 180.0° |
| C10 | C9 | C13 | C14 | 179.8° | 180.0° |
| C9 | C10 | C11 | H3 | 15.4° | 0.1° |
| C10 | C9 | C8 | H5 | 0.9° | 0.0° |
| C10 | C9 | C13 | H6 | 0.2° | 0.0° |
| C4 | C5 | C6 | H11 | 180.0° | 179.9° |
| C5 | C4 | C3 | H12 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H10 | 179.1° | 179.9° |
| C5 | C4 | C3 | H13 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C1 | H10 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 1.8° | 0.0° |
| C5 | C6 | C1 | N1 | 178.4° | 179.7° |
| C6 | C5 | C4 | H12 | 180.0° | 180.0° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.1° |
| C3 | C4 | C5 | H11 | 180.0° | 180.0° |
| C4 | C3 | C2 | H14 | 179.0° | 179.7° |
| C6 | C1 | C2 | C3 | 1.9° | 0.0° |
| C6 | C1 | C2 | N1 | 176.6° | 179.7° |
| C6 | C1 | N1 | S | 86.2° | 74.9° |
| C6 | C1 | N1 | H9 | 36.0° | 105.0° |
| C1 | C6 | C5 | H11 | 179.1° | 179.9° |
| C6 | C1 | C2 | H14 | 178.1° | 179.7° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C13 | C14 | 0.2° | 0.2° |
| C9 | C8 | C7 | S | 178.5° | 179.9° |
| C9 | C8 | C7 | C15 | 2.1° | 0.1° |
| C8 | C9 | C10 | H4 | 9.2° | 0.1° |
| C8 | C9 | C13 | H6 | 179.8° | 179.8° |
| C13 | C9 | C8 | C7 | 1.2° | 0.1° |
| C9 | C13 | C14 | H6 | 180.0° | 180.0° |
| C9 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C9 | C10 | H4 | 170.5° | 179.8° |
| C13 | C9 | C8 | H5 | 178.8° | 179.8° |
| C9 | C13 | C14 | H7 | 179.8° | 179.9° |
| C8 | C7 | S | O2 | 9.7° | 18.2° |
| C8 | C7 | S | C15 | 176.4° | 180.0° |
| C8 | C7 | C15 | C14 | 2.0° | 0.2° |
| C8 | C7 | S | N1 | 110.5° | 95.4° |
| C8 | C7 | S | O1 | 118.9° | 151.1° |
| C8 | C7 | C15 | H8 | 178.0° | 179.9° |
| C3 | C2 | C1 | H14 | 180.0° | 179.7° |
| C3 | C2 | C1 | N1 | 178.5° | 179.8° |
| C2 | C3 | C4 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | C7 | 1.1° | 0.2° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | H8 | 178.9° | 180.0° |
| O2 | S | N1 | C1 | 94.7° | 50.0° |
| O2 | S | C7 | N1 | 120.2° | 113.6° |
| O2 | S | C7 | O1 | 109.3° | 132.9° |
| O2 | S | C7 | C15 | 174.0° | 161.8° |
| O2 | S | N1 | O1 | 106.9° | 132.9° |
| O2 | S | N1 | H9 | 27.4° | 129.9° |
| C2 | C1 | N1 | S | 90.3° | 104.9° |
| C2 | C1 | N1 | H9 | 147.6° | 75.2° |
| C2 | C1 | C6 | H10 | 178.2° | 179.9° |
| C1 | C2 | C3 | H13 | 179.0° | 180.0° |
| C1 | N1 | S | C7 | 27.1° | 63.6° |
| C1 | N1 | S | H9 | 122.1° | 179.9° |
| C1 | N1 | S | O1 | 158.5° | 177.1° |
| N1 | C1 | C6 | H10 | 1.7° | 0.3° |
| N1 | C1 | C2 | H14 | 1.5° | 0.0° |
| S | C7 | C15 | C14 | 178.6° | 179.8° |
| C7 | S | N1 | O1 | 131.4° | 113.5° |
| S | C7 | C8 | H5 | 1.5° | 0.0° |
| S | C7 | C15 | H8 | 1.4° | 0.1° |
| C7 | S | N1 | H9 | 149.2° | 116.5° |
| C7 | C15 | C14 | H8 | 180.0° | 179.8° |
| C15 | C7 | S | N1 | 65.9° | 84.6° |
| C15 | C7 | S | O1 | 64.7° | 28.9° |
| C15 | C7 | C8 | H5 | 177.9° | 180.0° |
| C7 | C15 | C14 | H7 | 178.9° | 179.7° |
| C15 | C14 | C13 | H6 | 179.8° | 180.0° |
| O1 | S | N1 | H9 | 79.4° | 3.0° |
| H1 | N2 | O4 | H2 | 179.7° | 0.1° |
| H3 | C11 | C10 | H4 | 164.7° | 180.0° |
| H6 | C13 | C14 | H7 | 0.2° | 0.0° |
| H7 | C14 | C15 | H8 | 1.1° | 0.1° |
| H10 | C6 | C5 | H11 | 0.8° | 0.1° |
| H11 | C5 | C4 | H12 | 0.0° | 0.1° |
| H12 | C4 | C3 | H13 | 0.1° | 0.1° |
| H13 | C3 | C2 | H14 | 1.0° | 0.3° |
