GNO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C23 | sing | 1.40Å | 1.48Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.38Å | Aromatic |
| C23 | N4 | doub | 1.31Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| C20 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| N4 | N2 | sing | 1.40Å | 1.34Å | Aromatic |
| N2 | C10 | sing | 1.40Å | 1.45Å | |
| N3 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.53Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.32Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.32Å | Aromatic |
| C15 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | S1 | sing | 1.76Å | 1.81Å | |
| C12 | C7 | doub | 1.38Å | 1.53Å | Aromatic |
| C6 | C3 | doub | 1.38Å | 1.53Å | Aromatic |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C7 | C3 | sing | 1.38Å | 1.31Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.53Å | |
| S1 | N1 | sing | 1.66Å | 1.71Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | O2 | doub | 1.42Å | 1.46Å | |
| N1 | C1 | sing | 1.46Å | 1.45Å | |
| C4 | C9 | doub | 1.38Å | 1.32Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.52Å | Aromatic |
| C9 | C16 | sing | 1.38Å | 1.53Å | Aromatic |
| C8 | C14 | doub | 1.39Å | 1.31Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C14 | C17 | sing | 1.39Å | 1.52Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.40Å | |
| O5 | C24 | doub | 1.21Å | 1.26Å | |
| O3 | C22 | sing | 1.43Å | 1.40Å | |
| C22 | C24 | sing | 1.51Å | 1.53Å | |
| C24 | O4 | sing | 1.34Å | 1.26Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| O4 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C20 | 103.5° | 107.9° |
| C21 | C23 | N4 | 111.4° | 108.2° |
| C23 | C21 | H14 | 128.3° | 126.1° |
| C21 | C23 | H17 | 124.3° | 125.9° |
| C21 | C20 | N2 | 106.1° | 107.7° |
| C21 | C20 | H13 | 127.0° | 126.1° |
| C20 | C21 | H14 | 128.3° | 126.0° |
| C23 | N4 | N2 | 100.7° | 108.3° |
| N4 | C23 | H17 | 124.3° | 125.9° |
| C18 | C19 | N3 | 123.4° | 120.8° |
| C19 | C18 | C13 | 119.8° | 119.2° |
| C19 | C18 | H9 | 120.1° | 120.4° |
| C18 | C19 | H10 | 118.3° | 119.6° |
| C19 | N3 | C15 | 116.2° | 121.7° |
| N3 | C19 | H10 | 118.3° | 119.7° |
| C18 | C13 | C5 | 119.3° | 118.4° |
| C18 | C13 | H5 | 120.4° | 120.8° |
| C13 | C18 | H9 | 120.1° | 120.4° |
| C20 | N2 | N4 | 118.3° | 107.9° |
| C20 | N2 | C10 | 120.8° | 126.0° |
| N2 | C20 | H13 | 126.9° | 126.1° |
| N4 | N2 | C10 | 120.9° | 126.1° |
| N2 | C10 | C11 | 120.0° | 120.0° |
| N2 | C10 | C12 | 120.0° | 120.1° |
| N3 | C15 | C5 | 123.5° | 120.7° |
| N3 | C15 | H6 | 118.3° | 119.6° |
| C13 | C5 | C15 | 117.7° | 119.2° |
| C13 | C5 | S1 | 120.2° | 120.4° |
| C5 | C13 | H5 | 120.4° | 120.8° |
| C11 | C10 | C12 | 120.0° | 119.9° |
| C10 | C11 | C6 | 120.0° | 119.9° |
| C10 | C11 | H3 | 120.0° | 120.0° |
| C10 | C12 | C7 | 119.9° | 119.9° |
| C10 | C12 | H4 | 120.0° | 120.0° |
| C11 | C6 | C3 | 120.1° | 120.1° |
| C6 | C11 | H3 | 120.0° | 120.1° |
| C11 | C6 | H18 | 120.0° | 120.0° |
| C15 | C5 | S1 | 122.1° | 120.4° |
| C5 | C15 | H6 | 118.2° | 119.6° |
| C5 | S1 | N1 | 109.1° | 107.2° |
| C5 | S1 | O1 | 111.0° | 106.4° |
| C5 | S1 | O2 | 111.4° | 106.4° |
| C12 | C7 | C3 | 120.1° | 120.0° |
| C7 | C12 | H4 | 120.0° | 120.0° |
| C12 | C7 | H19 | 119.9° | 120.0° |
| C6 | C3 | C7 | 119.9° | 120.1° |
| C6 | C3 | C1 | 120.0° | 119.9° |
| C3 | C6 | H18 | 120.0° | 119.9° |
| N1 | C2 | C4 | 108.7° | 109.5° |
| C2 | N1 | S1 | 119.7° | 120.0° |
| C2 | N1 | C1 | 119.6° | 120.0° |
| N1 | C2 | H11 | 109.7° | 109.5° |
| N1 | C2 | H12 | 109.7° | 109.5° |
| C2 | C4 | C9 | 120.4° | 120.0° |
| C2 | C4 | C8 | 119.4° | 119.9° |
| C4 | C2 | H11 | 109.7° | 109.5° |
| C4 | C2 | H12 | 109.7° | 109.4° |
| C7 | C3 | C1 | 120.1° | 119.9° |
| C3 | C7 | H19 | 119.9° | 120.0° |
| C3 | C1 | N1 | 110.1° | 109.5° |
| C3 | C1 | H1 | 109.3° | 109.4° |
| C3 | C1 | H2 | 109.3° | 109.5° |
| N1 | S1 | O1 | 111.6° | 106.4° |
| N1 | S1 | O2 | 111.8° | 106.4° |
| S1 | N1 | C1 | 120.6° | 120.0° |
| O1 | S1 | O2 | 101.8° | 123.2° |
| N1 | C1 | H1 | 109.3° | 109.5° |
| N1 | C1 | H2 | 109.3° | 109.5° |
| C9 | C4 | C8 | 120.2° | 120.0° |
| C4 | C9 | C16 | 119.8° | 120.1° |
| C4 | C9 | H21 | 120.1° | 119.9° |
| C4 | C8 | C14 | 120.0° | 120.0° |
| C4 | C8 | H20 | 120.0° | 120.0° |
| C9 | C16 | C17 | 119.9° | 120.1° |
| C9 | C16 | H7 | 120.0° | 119.9° |
| C16 | C9 | H21 | 120.1° | 119.9° |
| C8 | C14 | C17 | 119.9° | 119.9° |
| C8 | C14 | O3 | 119.7° | 120.1° |
| C14 | C8 | H20 | 120.0° | 120.0° |
| C16 | C17 | C14 | 120.2° | 119.9° |
| C17 | C16 | H7 | 120.1° | 120.0° |
| C16 | C17 | H8 | 119.9° | 120.0° |
| C17 | C14 | O3 | 120.4° | 120.1° |
| C14 | C17 | H8 | 119.9° | 120.0° |
| C14 | O3 | C22 | 114.1° | 117.0° |
| O5 | C24 | C22 | 120.0° | 120.0° |
| O5 | C24 | O4 | 120.0° | 120.0° |
| O3 | C22 | C24 | 109.2° | 109.5° |
| O3 | C22 | H15 | 109.5° | 109.5° |
| O3 | C22 | H16 | 109.5° | 109.4° |
| C22 | C24 | O4 | 120.0° | 120.0° |
| C24 | C22 | H15 | 109.5° | 109.5° |
| C24 | C22 | H16 | 109.5° | 109.4° |
| C24 | O4 | H22 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H11 | C2 | H12 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C20 | H14 | 180.0° | 180.0° |
| C21 | C23 | N4 | H17 | 180.0° | 180.0° |
| C23 | C21 | C20 | N2 | 0.0° | 0.0° |
| C21 | C23 | N4 | N2 | 0.1° | 0.0° |
| C23 | C21 | C20 | H13 | 180.0° | 179.8° |
| C20 | C21 | C23 | N4 | 0.1° | 0.0° |
| C21 | C20 | N2 | H13 | 180.0° | 179.8° |
| C21 | C20 | N2 | N4 | 0.0° | 0.0° |
| C21 | C20 | N2 | C10 | 180.0° | 179.7° |
| C20 | C21 | C23 | H17 | 180.0° | 180.0° |
| C23 | N4 | N2 | C20 | 0.0° | 0.0° |
| C23 | N4 | N2 | C10 | 180.0° | 179.7° |
| N4 | C23 | C21 | H14 | 180.0° | 180.0° |
| C18 | C19 | N3 | H10 | 180.0° | 180.0° |
| C19 | C18 | C13 | H9 | 180.0° | 180.0° |
| C18 | C19 | N3 | C15 | 0.0° | 0.2° |
| C19 | C18 | C13 | C5 | 0.3° | 0.0° |
| C19 | C18 | C13 | H5 | 179.7° | 179.7° |
| N3 | C19 | C18 | C13 | 0.2° | 0.0° |
| C19 | N3 | C15 | C5 | 0.1° | 0.5° |
| C19 | N3 | C15 | H6 | 179.9° | 180.0° |
| N3 | C19 | C18 | H9 | 179.9° | 180.0° |
| C18 | C13 | C5 | H5 | 180.0° | 179.8° |
| C18 | C13 | C5 | C15 | 0.2° | 0.2° |
| C18 | C13 | C5 | S1 | 179.7° | 179.7° |
| C13 | C18 | C19 | H10 | 179.9° | 180.0° |
| C20 | N2 | N4 | C10 | 180.0° | 179.7° |
| C20 | N2 | C10 | C11 | 5.0° | 180.0° |
| C20 | N2 | C10 | C12 | 174.9° | 0.2° |
| N2 | C20 | C21 | H14 | 180.0° | 180.0° |
| N4 | N2 | C10 | C11 | 175.0° | 0.3° |
| N4 | N2 | C10 | C12 | 5.1° | 179.4° |
| N4 | N2 | C20 | H13 | 180.0° | 179.7° |
| N2 | N4 | C23 | H17 | 180.0° | 180.0° |
| N2 | C10 | C11 | C12 | 179.8° | 179.8° |
| N2 | C10 | C11 | C6 | 179.9° | 179.8° |
| N2 | C10 | C12 | C7 | 179.9° | 179.8° |
| N2 | C10 | C11 | H3 | 0.1° | 0.3° |
| N2 | C10 | C12 | H4 | 0.1° | 0.2° |
| C10 | N2 | C20 | H13 | 0.0° | 0.0° |
| N3 | C15 | C5 | C13 | 0.1° | 0.5° |
| N3 | C15 | C5 | H6 | 180.0° | 179.5° |
| N3 | C15 | C5 | S1 | 179.9° | 179.4° |
| C15 | N3 | C19 | H10 | 180.0° | 179.8° |
| C13 | C5 | C15 | S1 | 180.0° | 179.9° |
| C13 | C5 | S1 | N1 | 77.0° | 82.5° |
| C13 | C5 | S1 | O1 | 46.4° | 163.9° |
| C13 | C5 | S1 | O2 | 159.0° | 31.0° |
| C13 | C5 | C15 | H6 | 179.9° | 180.0° |
| C5 | C13 | C18 | H9 | 179.7° | 180.0° |
| C10 | C11 | C6 | H3 | 180.0° | 180.0° |
| C11 | C10 | C12 | C7 | 0.1° | 0.0° |
| C10 | C11 | C6 | C3 | 0.1° | 0.0° |
| C11 | C10 | C12 | H4 | 179.9° | 180.0° |
| C10 | C11 | C6 | H18 | 179.9° | 180.0° |
| C12 | C10 | C11 | C6 | 0.1° | 0.0° |
| C10 | C12 | C7 | H4 | 180.0° | 180.0° |
| C10 | C12 | C7 | C3 | 0.2° | 0.0° |
| C12 | C10 | C11 | H3 | 179.9° | 180.0° |
| C10 | C12 | C7 | H19 | 179.8° | 180.0° |
| C11 | C6 | C3 | H18 | 180.0° | 180.0° |
| C11 | C6 | C3 | C7 | 0.2° | 0.1° |
| C11 | C6 | C3 | C1 | 179.9° | 180.0° |
| C15 | C5 | S1 | N1 | 102.9° | 97.6° |
| C15 | C5 | S1 | O1 | 133.7° | 16.0° |
| C15 | C5 | S1 | O2 | 21.0° | 148.9° |
| C15 | C5 | C13 | H5 | 179.7° | 180.0° |
| C5 | S1 | N1 | C2 | 89.3° | 96.4° |
| C5 | S1 | N1 | O1 | 123.0° | 113.5° |
| C5 | S1 | N1 | O2 | 123.7° | 113.5° |
| C5 | S1 | O1 | O2 | 118.7° | 122.9° |
| C5 | S1 | N1 | C1 | 94.5° | 83.7° |
| S1 | C5 | C13 | H5 | 0.3° | 0.1° |
| S1 | C5 | C15 | H6 | 0.1° | 0.1° |
| C12 | C7 | C3 | C6 | 0.3° | 0.1° |
| C12 | C7 | C3 | H19 | 180.0° | 180.0° |
| C12 | C7 | C3 | C1 | 179.9° | 180.0° |
| C6 | C3 | C7 | C1 | 179.6° | 179.9° |
| C6 | C3 | C1 | N1 | 86.6° | 90.1° |
| C6 | C3 | C1 | H1 | 153.3° | 149.9° |
| C6 | C3 | C1 | H2 | 33.5° | 30.0° |
| C3 | C6 | C11 | H3 | 179.8° | 180.0° |
| C6 | C3 | C7 | H19 | 179.8° | 180.0° |
| N1 | C2 | C4 | H11 | 119.9° | 120.0° |
| N1 | C2 | C4 | H12 | 119.9° | 120.0° |
| C2 | N1 | C1 | C3 | 95.3° | 84.9° |
| C2 | N1 | S1 | C1 | 176.2° | 179.9° |
| C2 | N1 | S1 | O1 | 33.7° | 17.2° |
| C2 | N1 | S1 | O2 | 147.0° | 150.1° |
| N1 | C2 | C4 | C9 | 117.9° | 92.6° |
| N1 | C2 | C4 | C8 | 62.3° | 88.2° |
| C2 | N1 | C1 | H1 | 144.6° | 35.0° |
| C2 | N1 | C1 | H2 | 24.8° | 155.0° |
| N1 | C2 | H11 | H12 | 120.3° | 120.1° |
| C4 | C2 | N1 | S1 | 103.5° | 96.7° |
| C4 | C2 | N1 | C1 | 72.8° | 83.4° |
| C2 | C4 | C9 | C8 | 179.8° | 179.2° |
| C2 | C4 | C9 | C16 | 179.9° | 179.9° |
| C2 | C4 | C8 | C14 | 179.9° | 179.8° |
| C4 | C2 | H11 | H12 | 120.3° | 119.9° |
| C2 | C4 | C8 | H20 | 0.1° | 0.3° |
| C2 | C4 | C9 | H21 | 0.1° | 0.0° |
| C7 | C3 | C1 | N1 | 93.8° | 90.0° |
| C7 | C3 | C1 | H1 | 26.3° | 30.0° |
| C7 | C3 | C1 | H2 | 146.1° | 149.9° |
| C3 | C7 | C12 | H4 | 179.8° | 180.0° |
| C7 | C3 | C6 | H18 | 179.7° | 180.0° |
| C3 | C1 | N1 | S1 | 88.4° | 95.0° |
| C3 | C1 | N1 | H1 | 120.1° | 120.0° |
| C3 | C1 | N1 | H2 | 120.1° | 120.1° |
| C3 | C1 | H1 | H2 | 119.7° | 120.0° |
| C1 | C3 | C6 | H18 | 0.1° | 0.0° |
| C1 | C3 | C7 | H19 | 0.1° | 0.0° |
| N1 | S1 | O1 | O2 | 119.4° | 123.0° |
| S1 | N1 | C1 | H1 | 31.7° | 145.0° |
| S1 | N1 | C1 | H2 | 151.5° | 25.1° |
| S1 | N1 | C2 | H11 | 136.6° | 143.3° |
| S1 | N1 | C2 | H12 | 16.4° | 23.3° |
| O1 | S1 | N1 | C1 | 142.5° | 162.8° |
| O2 | S1 | N1 | C1 | 29.2° | 29.8° |
| N1 | C1 | H1 | H2 | 119.7° | 120.0° |
| C1 | N1 | C2 | H11 | 47.1° | 36.6° |
| C1 | N1 | C2 | H12 | 167.3° | 156.6° |
| C4 | C9 | C16 | H21 | 180.0° | 180.0° |
| C9 | C4 | C8 | C14 | 0.1° | 0.6° |
| C4 | C9 | C16 | C17 | 0.0° | 0.6° |
| C4 | C9 | C16 | H7 | 180.0° | 179.5° |
| C9 | C4 | C2 | H11 | 2.0° | 147.3° |
| C9 | C4 | C2 | H12 | 122.2° | 27.4° |
| C9 | C4 | C8 | H20 | 179.9° | 179.5° |
| C8 | C4 | C9 | C16 | 0.1° | 0.8° |
| C4 | C8 | C14 | H20 | 180.0° | 179.9° |
| C4 | C8 | C14 | C17 | 0.0° | 0.0° |
| C4 | C8 | C14 | O3 | 179.9° | 179.7° |
| C8 | C4 | C2 | H11 | 177.8° | 31.9° |
| C8 | C4 | C2 | H12 | 57.6° | 151.8° |
| C8 | C4 | C9 | H21 | 179.9° | 179.2° |
| C9 | C16 | C17 | H7 | 180.0° | 180.0° |
| C9 | C16 | C17 | C14 | 0.1° | 0.0° |
| C9 | C16 | C17 | H8 | 179.9° | 179.9° |
| C8 | C14 | C17 | C16 | 0.1° | 0.2° |
| C8 | C14 | C17 | O3 | 179.9° | 179.8° |
| C8 | C14 | O3 | C22 | 134.7° | 179.7° |
| C8 | C14 | C17 | H8 | 179.9° | 179.8° |
| C16 | C17 | C14 | H8 | 180.0° | 180.0° |
| C16 | C17 | C14 | O3 | 180.0° | 180.0° |
| C17 | C16 | C9 | H21 | 180.0° | 179.5° |
| C17 | C14 | O3 | C22 | 45.5° | 0.1° |
| C14 | C17 | C16 | H7 | 179.9° | 180.0° |
| C17 | C14 | C8 | H20 | 180.0° | 180.0° |
| C14 | O3 | C22 | C24 | 154.5° | 180.0° |
| O3 | C14 | C17 | H8 | 0.0° | 0.0° |
| C14 | O3 | C22 | H15 | 85.5° | 60.0° |
| C14 | O3 | C22 | H16 | 34.5° | 60.1° |
| O3 | C14 | C8 | H20 | 0.1° | 0.2° |
| O5 | C24 | C22 | O3 | 115.3° | 0.1° |
| O5 | C24 | C22 | O4 | 179.8° | 179.9° |
| O5 | C24 | C22 | H15 | 124.7° | 120.0° |
| O5 | C24 | C22 | H16 | 4.6° | 120.0° |
| O5 | C24 | O4 | H22 | 0.0° | 0.0° |
| O3 | C22 | C24 | H15 | 120.0° | 120.1° |
| O3 | C22 | C24 | H16 | 120.0° | 119.9° |
| O3 | C22 | C24 | O4 | 64.5° | 180.0° |
| O3 | C22 | H15 | H16 | 120.1° | 120.0° |
| C24 | C22 | H15 | H16 | 120.1° | 120.0° |
| C22 | C24 | O4 | H22 | 179.8° | 180.0° |
| O4 | C24 | C22 | H15 | 55.5° | 59.9° |
| O4 | C24 | C22 | H16 | 175.5° | 60.1° |
| H3 | C11 | C6 | H18 | 0.2° | 0.0° |
| H4 | C12 | C7 | H19 | 0.2° | 0.0° |
| H5 | C13 | C18 | H9 | 0.3° | 0.3° |
| H7 | C16 | C17 | H8 | 0.1° | 0.0° |
| H7 | C16 | C9 | H21 | 0.0° | 0.5° |
| H9 | C18 | C19 | H10 | 0.1° | 0.0° |
| H13 | C20 | C21 | H14 | 0.0° | 0.3° |
| H14 | C21 | C23 | H17 | 0.0° | 0.0° |
