R5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C03 | doub | 1.22Å | 1.24Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.48Å | 1.48Å | |
| C03 | N02 | sing | 1.35Å | 1.42Å | |
| C04 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| O01 | N02 | sing | 1.42Å | 1.35Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.46Å | 1.44Å | |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| N09 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| N09 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.34Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| N17 | O18 | sing | 1.42Å | 1.36Å | |
| N17 | C16 | sing | 1.35Å | 1.42Å | |
| C12 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| C15 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | O19 | doub | 1.22Å | 1.23Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| N02 | H12 | sing | 0.97Å | 1.00Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å | |
| O18 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | C03 | C04 | 120.4° | 119.9° |
| O24 | C03 | N02 | 118.1° | 120.1° |
| C22 | C23 | C04 | 123.4° | 119.9° |
| C23 | C22 | C07 | 123.2° | 120.1° |
| C23 | C22 | H4 | 118.4° | 119.9° |
| C22 | C23 | H11 | 118.3° | 120.1° |
| C23 | C04 | C03 | 122.4° | 120.1° |
| C23 | C04 | C05 | 114.2° | 119.7° |
| C04 | C23 | H11 | 118.3° | 120.1° |
| C22 | C07 | C08 | 121.6° | 119.9° |
| C22 | C07 | C06 | 113.8° | 120.3° |
| C07 | C22 | H4 | 118.4° | 119.9° |
| C04 | C03 | N02 | 121.3° | 120.0° |
| C03 | C04 | C05 | 123.3° | 120.2° |
| C03 | N02 | O01 | 118.9° | 120.0° |
| C03 | N02 | H12 | 120.6° | 120.0° |
| C04 | C05 | C06 | 122.2° | 119.9° |
| C04 | C05 | H5 | 118.9° | 120.1° |
| O01 | N02 | H12 | 120.5° | 120.0° |
| N02 | O01 | H14 | 109.5° | 114.0° |
| C08 | C07 | C06 | 124.6° | 119.9° |
| C07 | C08 | N09 | 125.2° | 109.5° |
| C07 | C08 | H7 | 105.4° | 109.5° |
| C07 | C08 | H8 | 105.4° | 109.5° |
| C07 | C06 | C05 | 123.2° | 120.1° |
| C07 | C06 | H6 | 118.4° | 119.9° |
| C08 | N09 | C10 | 118.9° | 125.1° |
| C08 | N09 | C13 | 133.0° | 125.1° |
| N09 | C08 | H7 | 105.4° | 109.5° |
| N09 | C08 | H8 | 105.4° | 109.5° |
| C06 | C05 | H5 | 118.9° | 120.1° |
| C05 | C06 | H6 | 118.4° | 120.0° |
| C10 | N09 | C13 | 108.0° | 109.8° |
| N09 | C10 | C11 | 110.1° | 110.0° |
| N09 | C10 | H1 | 125.0° | 125.0° |
| N09 | C13 | C14 | 133.4° | 133.4° |
| N09 | C13 | C12 | 107.8° | 107.1° |
| C10 | C11 | C12 | 105.7° | 107.0° |
| C11 | C10 | H1 | 125.0° | 125.0° |
| C10 | C11 | H9 | 127.1° | 126.5° |
| C14 | C13 | C12 | 118.8° | 119.5° |
| C13 | C14 | C15 | 122.2° | 119.7° |
| C13 | C14 | H10 | 118.9° | 120.2° |
| C13 | C12 | C11 | 108.3° | 106.0° |
| C13 | C12 | C21 | 120.2° | 120.2° |
| C11 | C12 | C21 | 131.4° | 133.8° |
| C12 | C11 | H9 | 127.1° | 126.5° |
| C14 | C15 | C16 | 120.7° | 119.8° |
| C14 | C15 | C20 | 117.9° | 120.3° |
| C15 | C14 | H10 | 118.9° | 120.1° |
| O18 | N17 | C16 | 116.2° | 119.9° |
| O18 | N17 | H13 | 121.9° | 120.0° |
| N17 | O18 | H15 | 109.5° | 113.9° |
| N17 | C16 | C15 | 119.9° | 120.0° |
| N17 | C16 | O19 | 119.6° | 120.0° |
| C16 | N17 | H13 | 121.9° | 120.1° |
| C12 | C21 | C20 | 119.4° | 120.0° |
| C12 | C21 | H3 | 120.3° | 120.0° |
| C16 | C15 | C20 | 121.4° | 119.9° |
| C15 | C16 | O19 | 120.5° | 120.0° |
| C15 | C20 | C21 | 121.6° | 120.4° |
| C15 | C20 | H2 | 119.2° | 119.8° |
| C21 | C20 | H2 | 119.2° | 119.8° |
| C20 | C21 | H3 | 120.3° | 120.0° |
| H7 | C08 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C03 | C04 | C23 | 33.5° | 179.9° |
| O24 | C03 | C04 | N02 | 175.0° | 180.0° |
| O24 | C03 | C04 | C05 | 150.1° | 0.1° |
| O24 | C03 | N02 | O01 | 2.9° | 0.0° |
| O24 | C03 | N02 | H12 | 177.1° | 179.9° |
| C22 | C23 | C04 | H11 | 180.0° | 180.0° |
| C23 | C22 | C07 | H4 | 180.0° | 179.7° |
| C22 | C23 | C04 | C03 | 177.9° | 180.0° |
| C22 | C23 | C04 | C05 | 1.1° | 0.0° |
| C23 | C22 | C07 | C08 | 178.6° | 179.7° |
| C23 | C22 | C07 | C06 | 0.9° | 0.3° |
| C04 | C23 | C22 | C07 | 0.1° | 0.0° |
| C23 | C04 | C03 | C05 | 176.4° | 180.0° |
| C23 | C04 | C03 | N02 | 141.5° | 0.0° |
| C23 | C04 | C05 | C06 | 1.2° | 0.3° |
| C04 | C23 | C22 | H4 | 180.0° | 179.7° |
| C23 | C04 | C05 | H5 | 178.7° | 180.0° |
| C22 | C07 | C08 | C06 | 177.4° | 179.9° |
| C22 | C07 | C08 | N09 | 118.1° | 90.0° |
| C22 | C07 | C06 | C05 | 0.8° | 0.6° |
| C22 | C07 | C06 | H6 | 179.2° | 180.0° |
| C22 | C07 | C08 | H7 | 119.8° | 149.9° |
| C22 | C07 | C08 | H8 | 4.0° | 30.0° |
| C07 | C22 | C23 | H11 | 180.0° | 180.0° |
| C04 | C03 | N02 | O01 | 178.0° | 180.0° |
| C03 | C04 | C05 | C06 | 178.0° | 179.7° |
| C03 | C04 | C05 | H5 | 2.0° | 0.0° |
| C03 | C04 | C23 | H11 | 2.1° | 0.0° |
| C04 | C03 | N02 | H12 | 2.0° | 0.0° |
| N02 | C03 | C04 | C05 | 34.9° | 180.0° |
| C03 | N02 | O01 | H12 | 180.0° | 179.9° |
| C03 | N02 | O01 | H14 | 1.4° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.6° |
| C04 | C05 | C06 | H5 | 180.0° | 179.7° |
| C04 | C05 | C06 | H6 | 179.7° | 180.0° |
| C05 | C04 | C23 | H11 | 178.9° | 180.0° |
| C07 | C08 | N09 | H7 | 122.1° | 120.0° |
| C07 | C08 | N09 | H8 | 122.1° | 120.0° |
| C08 | C07 | C06 | C05 | 178.4° | 179.5° |
| C07 | C08 | N09 | C10 | 47.6° | 94.9° |
| C07 | C08 | N09 | C13 | 134.9° | 85.5° |
| C08 | C07 | C22 | H4 | 1.4° | 0.0° |
| C08 | C07 | C06 | H6 | 1.6° | 0.1° |
| C07 | C08 | H7 | H8 | 113.0° | 120.0° |
| C06 | C07 | C08 | N09 | 64.5° | 90.0° |
| C07 | C06 | C05 | H6 | 180.0° | 179.4° |
| C06 | C07 | C22 | H4 | 179.1° | 180.0° |
| C07 | C06 | C05 | H5 | 179.7° | 179.7° |
| C06 | C07 | C08 | H7 | 57.6° | 30.0° |
| C06 | C07 | C08 | H8 | 173.4° | 149.9° |
| C08 | N09 | C10 | C13 | 178.1° | 179.7° |
| C08 | N09 | C10 | C11 | 178.7° | 179.9° |
| C08 | N09 | C13 | C14 | 1.9° | 0.2° |
| C08 | N09 | C13 | C12 | 178.4° | 180.0° |
| C08 | N09 | C10 | H1 | 1.3° | 0.1° |
| N09 | C08 | H7 | H8 | 112.9° | 120.0° |
| N09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | N09 | C13 | C14 | 179.6° | 179.9° |
| C10 | N09 | C13 | C12 | 0.7° | 0.3° |
| N09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C10 | N09 | C08 | H7 | 169.7° | 145.0° |
| C10 | N09 | C08 | H8 | 74.5° | 25.1° |
| N09 | C10 | C11 | H9 | 179.7° | 179.8° |
| C13 | N09 | C10 | C11 | 0.6° | 0.4° |
| N09 | C13 | C14 | C12 | 179.7° | 179.8° |
| N09 | C13 | C12 | C11 | 0.5° | 0.1° |
| N09 | C13 | C14 | C15 | 179.4° | 179.7° |
| N09 | C13 | C12 | C21 | 179.5° | 180.0° |
| C13 | N09 | C10 | H1 | 179.4° | 179.8° |
| C13 | N09 | C08 | H7 | 12.8° | 34.6° |
| C13 | N09 | C08 | H8 | 103.0° | 154.5° |
| N09 | C13 | C14 | H10 | 0.6° | 0.3° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C10 | C11 | C12 | C21 | 179.9° | 179.7° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C21 | 0.2° | 0.2° |
| C13 | C14 | C15 | C16 | 179.6° | 179.8° |
| C13 | C14 | C15 | C20 | 0.3° | 0.5° |
| C13 | C12 | C11 | C21 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C21 | C20 | 0.1° | 0.1° |
| C13 | C12 | C21 | H3 | 179.9° | 179.9° |
| C13 | C12 | C11 | H9 | 179.8° | 180.0° |
| C12 | C13 | C14 | H10 | 179.7° | 179.9° |
| C11 | C12 | C21 | C20 | 179.8° | 179.7° |
| C12 | C11 | C10 | H1 | 179.7° | 179.9° |
| C11 | C12 | C21 | H3 | 0.1° | 0.3° |
| C14 | C15 | C16 | N17 | 46.9° | 179.2° |
| C14 | C15 | C16 | C20 | 179.9° | 179.3° |
| C14 | C15 | C20 | C21 | 0.2° | 0.8° |
| C14 | C15 | C16 | O19 | 132.2° | 0.7° |
| C14 | C15 | C20 | H2 | 179.8° | 179.3° |
| O18 | N17 | C16 | H13 | 180.0° | 180.0° |
| O18 | N17 | C16 | C15 | 179.6° | 180.0° |
| O18 | N17 | C16 | O19 | 0.5° | 0.0° |
| N17 | C16 | C15 | O19 | 179.0° | 180.0° |
| N17 | C16 | C15 | C20 | 133.2° | 0.0° |
| C16 | N17 | O18 | H15 | 0.2° | 180.0° |
| C12 | C21 | C20 | C15 | 0.1° | 0.5° |
| C12 | C21 | C20 | H3 | 180.0° | 180.0° |
| C12 | C21 | C20 | H2 | 179.9° | 179.5° |
| C21 | C12 | C11 | H9 | 0.1° | 0.2° |
| C16 | C15 | C20 | C21 | 179.8° | 180.0° |
| C16 | C15 | C20 | H2 | 0.2° | 0.0° |
| C16 | C15 | C14 | H10 | 0.3° | 0.2° |
| C15 | C16 | N17 | H13 | 0.4° | 0.0° |
| C15 | C20 | C21 | H2 | 180.0° | 179.9° |
| C20 | C15 | C16 | O19 | 47.7° | 180.0° |
| C15 | C20 | C21 | H3 | 179.9° | 179.4° |
| C20 | C15 | C14 | H10 | 179.8° | 179.5° |
| O19 | C16 | N17 | H13 | 179.4° | 180.0° |
| H1 | C10 | C11 | H9 | 0.3° | 0.0° |
| H2 | C20 | C21 | H3 | 0.1° | 0.5° |
| H4 | C22 | C23 | H11 | 0.0° | 0.2° |
| H5 | C05 | C06 | H6 | 0.3° | 0.3° |
| H12 | N02 | O01 | H14 | 178.6° | 0.1° |
| H13 | N17 | O18 | H15 | 179.7° | 0.0° |
