GO0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | CL1 | sing | 1.74Å | 1.73Å | |
| C12 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C3 | doub | 1.41Å | 1.35Å | Aromatic |
| C3 | N4 | sing | 1.38Å | 1.35Å | Aromatic |
| C6 | N4 | sing | 1.38Å | 1.32Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C22 | sing | 1.47Å | 1.35Å | |
| C15 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.42Å | 1.50Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| CL14 | C9 | sing | 1.74Å | 1.71Å | |
| C9 | C10 | doub | 1.37Å | 1.42Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O19 | C18 | doub | 1.21Å | 1.23Å | |
| O20 | C18 | sing | 1.34Å | 1.33Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| O23 | C22 | doub | 1.22Å | 1.23Å | |
| C22 | O24 | sing | 1.35Å | 1.34Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C12 | 122.0° | 120.1° |
| CL1 | C2 | C3 | 118.5° | 120.1° |
| C12 | C2 | C3 | 119.5° | 119.8° |
| C2 | C12 | C10 | 119.2° | 120.7° |
| C2 | C12 | H12 | 120.4° | 119.7° |
| C2 | C3 | C8 | 121.3° | 119.5° |
| C2 | C3 | N4 | 127.1° | 133.1° |
| C8 | C3 | N4 | 111.6° | 107.4° |
| C3 | C8 | C7 | 102.4° | 107.0° |
| C3 | C8 | C9 | 121.0° | 119.6° |
| C3 | N4 | C6 | 110.5° | 108.7° |
| C3 | N4 | HN4 | 124.8° | 125.6° |
| N4 | C6 | C7 | 108.5° | 109.1° |
| N4 | C6 | C22 | 120.1° | 125.4° |
| C6 | N4 | HN4 | 124.7° | 125.6° |
| C7 | C6 | C22 | 131.3° | 125.4° |
| C6 | C7 | C15 | 128.6° | 126.2° |
| C6 | C7 | C8 | 107.0° | 107.7° |
| C6 | C22 | O23 | 121.7° | 120.0° |
| C6 | C22 | O24 | 119.4° | 120.0° |
| C15 | C7 | C8 | 124.5° | 126.1° |
| C7 | C15 | C18 | 109.8° | 109.5° |
| C7 | C15 | H15 | 109.3° | 109.5° |
| C7 | C15 | H15A | 109.3° | 109.5° |
| C7 | C8 | C9 | 136.6° | 133.4° |
| C8 | C9 | CL14 | 120.6° | 120.1° |
| C8 | C9 | C10 | 119.5° | 119.9° |
| CL14 | C9 | C10 | 119.9° | 120.1° |
| C9 | C10 | C12 | 119.5° | 120.6° |
| C9 | C10 | H10 | 120.3° | 119.7° |
| C12 | C10 | H10 | 120.3° | 119.7° |
| C10 | C12 | H12 | 120.4° | 119.6° |
| C18 | C15 | H15 | 109.3° | 109.4° |
| C18 | C15 | H15A | 109.3° | 109.4° |
| C15 | C18 | O19 | 124.1° | 120.0° |
| C15 | C18 | O20 | 115.6° | 120.0° |
| H15 | C15 | H15A | 109.6° | 109.5° |
| O19 | C18 | O20 | 120.4° | 120.1° |
| C18 | O20 | HO20 | 109.5° | 116.9° |
| O23 | C22 | O24 | 118.9° | 120.0° |
| C22 | O24 | HO24 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C12 | C3 | 179.9° | 179.8° |
| CL1 | C2 | C3 | C8 | 177.7° | 180.0° |
| CL1 | C2 | C3 | N4 | 2.3° | 0.1° |
| CL1 | C2 | C12 | C10 | 178.3° | 179.6° |
| CL1 | C2 | C12 | H12 | 1.7° | 0.3° |
| C12 | C2 | C3 | C8 | 2.2° | 0.2° |
| C12 | C2 | C3 | N4 | 177.7° | 179.7° |
| C2 | C12 | C10 | C9 | 0.0° | 0.6° |
| C2 | C12 | C10 | H12 | 180.0° | 179.4° |
| C2 | C12 | C10 | H10 | 180.0° | 179.7° |
| C2 | C3 | C8 | N4 | 179.9° | 179.9° |
| C2 | C3 | N4 | C6 | 179.7° | 180.0° |
| C2 | C3 | C8 | C7 | 178.6° | 180.0° |
| C2 | C3 | C8 | C9 | 1.2° | 0.0° |
| C3 | C2 | C12 | C10 | 1.6° | 0.6° |
| C3 | C2 | C12 | H12 | 178.4° | 180.0° |
| C2 | C3 | N4 | HN4 | 0.3° | 0.1° |
| C8 | C3 | N4 | C6 | 0.4° | 0.0° |
| C3 | C8 | C7 | C6 | 2.1° | 0.0° |
| C3 | C8 | C7 | C15 | 178.0° | 180.0° |
| C3 | C8 | C7 | C9 | 179.7° | 180.0° |
| C3 | C8 | C9 | CL14 | 178.8° | 180.0° |
| C3 | C8 | C9 | C10 | 0.5° | 0.0° |
| C8 | C3 | N4 | HN4 | 179.7° | 179.9° |
| C3 | N4 | C6 | HN4 | 180.0° | 179.9° |
| C3 | N4 | C6 | C7 | 1.1° | 0.0° |
| C3 | N4 | C6 | C22 | 179.1° | 179.9° |
| N4 | C3 | C8 | C7 | 1.5° | 0.0° |
| N4 | C3 | C8 | C9 | 178.8° | 180.0° |
| N4 | C6 | C7 | C22 | 179.8° | 179.9° |
| N4 | C6 | C7 | C15 | 178.1° | 180.0° |
| N4 | C6 | C7 | C8 | 2.0° | 0.0° |
| N4 | C6 | C22 | O23 | 179.2° | 180.0° |
| N4 | C6 | C22 | O24 | 1.5° | 0.1° |
| C6 | C7 | C15 | C8 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 178.2° | 180.0° |
| C6 | C7 | C15 | C18 | 99.8° | 90.0° |
| C6 | C7 | C15 | H15 | 140.2° | 150.0° |
| C6 | C7 | C15 | H15A | 20.2° | 30.0° |
| C7 | C6 | C22 | O23 | 1.0° | 0.1° |
| C7 | C6 | C22 | O24 | 178.3° | 180.0° |
| C7 | C6 | N4 | HN4 | 178.8° | 179.9° |
| C22 | C6 | C7 | C15 | 1.7° | 0.0° |
| C22 | C6 | C7 | C8 | 178.2° | 179.9° |
| C6 | C22 | O23 | O24 | 179.3° | 179.9° |
| C6 | C22 | O24 | HO24 | 179.3° | 179.9° |
| C22 | C6 | N4 | HN4 | 1.0° | 0.0° |
| C15 | C7 | C8 | C9 | 1.7° | 0.0° |
| C7 | C15 | C18 | H15 | 120.0° | 120.0° |
| C7 | C15 | C18 | H15A | 120.0° | 120.0° |
| C7 | C15 | H15 | H15A | 119.9° | 120.1° |
| C7 | C15 | C18 | O19 | 4.7° | 0.0° |
| C7 | C15 | C18 | O20 | 175.4° | 180.0° |
| C7 | C8 | C9 | CL14 | 0.8° | 0.0° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C8 | C7 | C15 | C18 | 80.3° | 90.0° |
| C8 | C7 | C15 | H15 | 39.7° | 30.0° |
| C8 | C7 | C15 | H15A | 159.7° | 150.0° |
| C8 | C9 | CL14 | C10 | 179.3° | 180.0° |
| C8 | C9 | C10 | C12 | 1.0° | 0.3° |
| C8 | C9 | C10 | H10 | 179.0° | 180.0° |
| CL14 | C9 | C10 | C12 | 178.3° | 179.7° |
| CL14 | C9 | C10 | H10 | 1.7° | 0.0° |
| C9 | C10 | C12 | H10 | 180.0° | 179.7° |
| C9 | C10 | C12 | H12 | 180.0° | 180.0° |
| H10 | C10 | C12 | H12 | 0.0° | 0.3° |
| C18 | C15 | H15 | H15A | 119.8° | 119.9° |
| C15 | C18 | O19 | O20 | 179.9° | 180.0° |
| C15 | C18 | O20 | HO20 | 179.9° | 180.0° |
| H15 | C15 | C18 | O19 | 124.7° | 120.0° |
| H15 | C15 | C18 | O20 | 55.4° | 60.0° |
| H15A | C15 | C18 | O19 | 115.3° | 120.0° |
| H15A | C15 | C18 | O20 | 64.6° | 60.0° |
| O19 | C18 | O20 | HO20 | 0.0° | 0.0° |
| O23 | C22 | O24 | HO24 | 0.0° | 0.0° |
