RG5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N4 | sing | 1.29Å | 1.32Å | Aromatic |
| N3 | C10 | sing | 1.35Å | 1.33Å | Aromatic |
| N4 | N5 | doub | 1.29Å | 1.33Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.40Å | |
| O1 | C8 | sing | 1.43Å | 1.39Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | N8 | doub | 1.31Å | 1.36Å | Aromatic |
| N5 | N8 | sing | 1.29Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C6 | sing | 1.38Å | 1.45Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N6 | doub | 1.33Å | 1.31Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C5 | sing | 1.47Å | 1.48Å | Aromatic |
| C13 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| N6 | C12 | sing | 1.32Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | N1 | sing | 1.38Å | 1.25Å | Aromatic |
| C12 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| C4 | N1 | sing | 1.37Å | 1.23Å | Aromatic |
| C4 | N7 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | N3 | C10 | 108.5° | 107.1° |
| N3 | N4 | N5 | 108.1° | 108.8° |
| N4 | N3 | H13 | 125.8° | 126.5° |
| N3 | C10 | C9 | 126.6° | 126.7° |
| N3 | C10 | N8 | 109.6° | 106.6° |
| C10 | N3 | H13 | 125.7° | 126.4° |
| N4 | N5 | N8 | 109.4° | 109.4° |
| C9 | O1 | C8 | 116.0° | 113.7° |
| O1 | C9 | C10 | 113.5° | 109.5° |
| O1 | C9 | C11 | 111.6° | 109.3° |
| O1 | C9 | H1 | 108.3° | 109.6° |
| O1 | C8 | C7 | 113.4° | 109.3° |
| O1 | C8 | H7 | 108.5° | 109.5° |
| O1 | C8 | H6 | 108.5° | 109.5° |
| C9 | C10 | N8 | 123.8° | 126.7° |
| C10 | C9 | C11 | 109.5° | 109.5° |
| C10 | C9 | H1 | 106.8° | 109.5° |
| C10 | N8 | N5 | 104.4° | 108.0° |
| C9 | C11 | N2 | 109.6° | 109.3° |
| C9 | C11 | H9 | 109.5° | 109.5° |
| C9 | C11 | H8 | 109.4° | 109.5° |
| C11 | C9 | H1 | 106.7° | 109.5° |
| C8 | C7 | N2 | 112.7° | 109.2° |
| C7 | C8 | H7 | 108.5° | 109.5° |
| C7 | C8 | H6 | 108.5° | 109.5° |
| C8 | C7 | H5 | 108.7° | 109.5° |
| C8 | C7 | H4 | 108.7° | 109.5° |
| C11 | N2 | C7 | 114.4° | 110.8° |
| C11 | N2 | C6 | 118.9° | 111.0° |
| N2 | C11 | H9 | 109.4° | 109.5° |
| N2 | C11 | H8 | 109.5° | 109.6° |
| C7 | N2 | C6 | 111.6° | 111.0° |
| N2 | C7 | H5 | 108.6° | 109.4° |
| N2 | C7 | H4 | 108.6° | 109.5° |
| N2 | C6 | N6 | 120.8° | 120.8° |
| N2 | C6 | C5 | 118.7° | 120.8° |
| C15 | C14 | C13 | 119.5° | 119.9° |
| C14 | C15 | C1 | 120.0° | 120.2° |
| C14 | C15 | H12 | 120.0° | 119.9° |
| C15 | C14 | H11 | 120.2° | 120.0° |
| C14 | C13 | C5 | 136.6° | 133.7° |
| C14 | C13 | C3 | 119.8° | 120.0° |
| C13 | C14 | H11 | 120.2° | 120.1° |
| C15 | C1 | F1 | 117.2° | 119.7° |
| C15 | C1 | C2 | 121.4° | 120.5° |
| C1 | C15 | H12 | 120.0° | 119.9° |
| N6 | C6 | C5 | 120.5° | 118.5° |
| C6 | N6 | C12 | 118.0° | 120.9° |
| C6 | C5 | C13 | 139.3° | 134.6° |
| C6 | C5 | C4 | 116.6° | 118.8° |
| C5 | C13 | C3 | 103.5° | 106.2° |
| C13 | C5 | C4 | 104.1° | 106.6° |
| C13 | C3 | C2 | 119.9° | 119.3° |
| C13 | C3 | N1 | 105.3° | 108.3° |
| N6 | C12 | N7 | 128.3° | 122.6° |
| N6 | C12 | H10 | 115.8° | 118.7° |
| C5 | C4 | N1 | 106.0° | 108.4° |
| C5 | C4 | N7 | 123.5° | 118.4° |
| F1 | C1 | C2 | 121.4° | 119.8° |
| C1 | C2 | C3 | 119.4° | 120.1° |
| C1 | C2 | H2 | 120.3° | 119.9° |
| C2 | C3 | N1 | 134.8° | 132.4° |
| C3 | C2 | H2 | 120.3° | 120.0° |
| C3 | N1 | C4 | 121.0° | 110.4° |
| C3 | N1 | H3 | 119.5° | 124.8° |
| C12 | N7 | C4 | 113.1° | 120.9° |
| N7 | C12 | H10 | 115.9° | 118.7° |
| N1 | C4 | N7 | 130.5° | 133.2° |
| C4 | N1 | H3 | 119.5° | 124.8° |
| H9 | C11 | H8 | 109.5° | 109.4° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H5 | C7 | H4 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | N3 | C10 | H13 | 180.0° | 180.0° |
| N4 | N3 | C10 | C9 | 178.9° | 180.0° |
| N4 | N3 | C10 | N8 | 0.2° | 0.2° |
| N3 | N4 | N5 | N8 | 0.8° | 0.3° |
| C10 | N3 | N4 | N5 | 0.4° | 0.0° |
| N3 | C10 | C9 | O1 | 41.1° | 115.0° |
| N3 | C10 | C9 | N8 | 178.5° | 179.7° |
| N3 | C10 | N8 | N5 | 0.7° | 0.4° |
| N3 | C10 | C9 | C11 | 166.6° | 125.3° |
| N3 | C10 | C9 | H1 | 78.2° | 5.2° |
| N4 | N5 | N8 | C10 | 0.9° | 0.4° |
| N5 | N4 | N3 | H13 | 179.6° | 179.9° |
| O1 | C9 | C10 | C11 | 125.4° | 119.8° |
| O1 | C9 | C10 | H1 | 119.3° | 120.1° |
| O1 | C9 | C10 | N8 | 140.3° | 64.8° |
| O1 | C9 | C11 | H1 | 118.2° | 120.0° |
| C9 | O1 | C8 | C7 | 48.8° | 58.7° |
| O1 | C9 | C11 | N2 | 54.0° | 56.9° |
| O1 | C9 | C11 | H9 | 66.0° | 176.8° |
| O1 | C9 | C11 | H8 | 174.0° | 63.1° |
| C9 | O1 | C8 | H7 | 71.8° | 61.3° |
| C9 | O1 | C8 | H6 | 169.4° | 178.6° |
| C8 | O1 | C9 | C10 | 70.2° | 178.6° |
| C8 | O1 | C9 | C11 | 54.2° | 58.7° |
| O1 | C8 | C7 | H7 | 120.6° | 120.0° |
| O1 | C8 | C7 | H6 | 120.6° | 120.0° |
| O1 | C8 | C7 | N2 | 43.7° | 56.8° |
| C8 | O1 | C9 | H1 | 171.4° | 61.3° |
| O1 | C8 | H7 | H6 | 118.2° | 120.1° |
| O1 | C8 | C7 | H5 | 164.2° | 63.0° |
| O1 | C8 | C7 | H4 | 76.7° | 176.8° |
| C9 | C10 | N8 | N5 | 179.4° | 179.9° |
| C10 | C9 | C11 | H1 | 115.3° | 120.1° |
| C10 | C9 | C11 | N2 | 72.5° | 176.8° |
| C10 | C9 | C11 | H9 | 167.5° | 63.3° |
| C10 | C9 | C11 | H8 | 47.5° | 56.8° |
| C9 | C10 | N3 | H13 | 1.1° | 0.0° |
| N8 | C10 | C9 | C11 | 14.9° | 55.0° |
| N8 | C10 | C9 | H1 | 100.3° | 175.1° |
| N8 | C10 | N3 | H13 | 179.8° | 179.8° |
| C9 | C11 | N2 | H9 | 120.0° | 119.9° |
| C9 | C11 | N2 | H8 | 120.0° | 120.0° |
| C9 | C11 | N2 | C7 | 52.0° | 58.6° |
| C9 | C11 | N2 | C6 | 172.5° | 65.1° |
| C9 | C11 | H9 | H8 | 119.9° | 120.1° |
| C8 | C7 | N2 | C11 | 47.5° | 58.6° |
| C8 | C7 | N2 | H5 | 120.5° | 119.9° |
| C8 | C7 | N2 | H4 | 120.5° | 119.9° |
| C8 | C7 | N2 | C6 | 173.8° | 65.2° |
| C7 | C8 | H7 | H6 | 118.2° | 120.1° |
| C8 | C7 | H5 | H4 | 118.6° | 120.2° |
| C11 | N2 | C7 | C6 | 138.7° | 123.8° |
| C11 | N2 | C6 | N6 | 24.8° | 61.8° |
| C11 | N2 | C6 | C5 | 157.2° | 118.5° |
| N2 | C11 | H9 | H8 | 120.0° | 120.1° |
| N2 | C11 | C9 | H1 | 172.2° | 63.1° |
| C11 | N2 | C7 | H5 | 168.0° | 61.3° |
| C11 | N2 | C7 | H4 | 73.0° | 178.5° |
| C7 | N2 | C6 | N6 | 111.9° | 61.9° |
| C7 | N2 | C6 | C5 | 66.1° | 117.8° |
| C7 | N2 | C11 | H9 | 68.0° | 178.6° |
| C7 | N2 | C11 | H8 | 172.1° | 61.4° |
| N2 | C7 | C8 | H7 | 76.9° | 63.1° |
| N2 | C7 | C8 | H6 | 164.3° | 176.8° |
| N2 | C7 | H5 | H4 | 118.5° | 120.1° |
| N2 | C6 | N6 | C5 | 178.0° | 179.7° |
| N2 | C6 | C5 | C13 | 3.4° | 0.0° |
| N2 | C6 | N6 | C12 | 178.0° | 180.0° |
| N2 | C6 | C5 | C4 | 178.7° | 180.0° |
| C6 | N2 | C11 | H9 | 67.5° | 54.8° |
| C6 | N2 | C11 | H8 | 52.4° | 174.8° |
| C6 | N2 | C7 | H5 | 53.3° | 174.9° |
| C6 | N2 | C7 | H4 | 65.7° | 54.7° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C14 | C15 | C1 | H12 | 180.0° | 179.9° |
| C15 | C14 | C13 | C5 | 179.5° | 179.9° |
| C15 | C14 | C13 | C3 | 0.0° | 0.1° |
| C14 | C15 | C1 | F1 | 179.6° | 180.0° |
| C14 | C15 | C1 | C2 | 1.1° | 0.0° |
| C13 | C14 | C15 | C1 | 0.9° | 0.0° |
| C14 | C13 | C5 | C6 | 1.6° | 0.0° |
| C14 | C13 | C5 | C3 | 179.5° | 180.0° |
| C14 | C13 | C5 | C4 | 179.7° | 180.0° |
| C14 | C13 | C3 | C2 | 0.6° | 0.0° |
| C14 | C13 | C3 | N1 | 179.9° | 179.8° |
| C13 | C14 | C15 | H12 | 179.1° | 180.0° |
| C15 | C1 | F1 | C2 | 179.2° | 180.0° |
| C15 | C1 | C2 | C3 | 0.5° | 0.1° |
| C1 | C15 | C14 | H11 | 179.1° | 180.0° |
| C15 | C1 | C2 | H2 | 179.5° | 180.0° |
| N6 | C6 | C5 | C13 | 178.6° | 179.7° |
| N6 | C6 | C5 | C4 | 0.7° | 0.3° |
| C6 | N6 | C12 | N7 | 0.1° | 0.2° |
| C6 | N6 | C12 | H10 | 179.8° | 179.8° |
| C6 | C5 | C13 | C4 | 178.1° | 180.0° |
| C6 | C5 | C13 | C3 | 178.9° | 180.0° |
| C5 | C6 | N6 | C12 | 0.0° | 0.3° |
| C6 | C5 | C4 | N1 | 179.7° | 179.8° |
| C6 | C5 | C4 | N7 | 1.5° | 0.2° |
| C5 | C13 | C3 | C2 | 179.0° | 180.0° |
| C5 | C13 | C3 | N1 | 0.2° | 0.2° |
| C13 | C5 | C4 | N1 | 1.1° | 0.1° |
| C13 | C5 | C4 | N7 | 179.9° | 179.8° |
| C5 | C13 | C14 | H11 | 0.5° | 0.0° |
| C3 | C13 | C5 | C4 | 0.8° | 0.0° |
| C13 | C3 | C2 | C1 | 0.4° | 0.1° |
| C13 | C3 | C2 | N1 | 178.9° | 179.8° |
| C13 | C3 | N1 | C4 | 0.6° | 0.3° |
| C13 | C3 | N1 | H3 | 179.4° | 179.9° |
| C3 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C3 | C2 | H2 | 179.6° | 180.0° |
| N6 | C12 | N7 | H10 | 180.0° | 180.0° |
| N6 | C12 | N7 | C4 | 0.9° | 0.1° |
| C5 | C4 | N1 | C3 | 1.1° | 0.2° |
| C5 | C4 | N7 | C12 | 1.5° | 0.1° |
| C5 | C4 | N1 | N7 | 178.7° | 180.0° |
| C5 | C4 | N1 | H3 | 178.9° | 179.9° |
| F1 | C1 | C2 | C3 | 179.7° | 180.0° |
| F1 | C1 | C15 | H12 | 0.3° | 0.0° |
| F1 | C1 | C2 | H2 | 0.3° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 179.3° | 179.9° |
| C2 | C1 | C15 | H12 | 178.9° | 179.9° |
| C2 | C3 | N1 | C4 | 179.6° | 179.9° |
| C2 | C3 | N1 | H3 | 0.4° | 0.3° |
| C3 | N1 | C4 | H3 | 180.0° | 179.7° |
| C3 | N1 | C4 | N7 | 179.8° | 179.7° |
| N1 | C3 | C2 | H2 | 0.7° | 0.2° |
| C12 | N7 | C4 | N1 | 180.0° | 180.0° |
| N7 | C4 | N1 | H3 | 0.2° | 0.1° |
| C4 | N7 | C12 | H10 | 179.1° | 180.0° |
| H12 | C15 | C14 | H11 | 0.8° | 0.0° |
| H9 | C11 | C9 | H1 | 52.2° | 56.8° |
| H8 | C11 | C9 | H1 | 67.8° | 176.9° |
| H7 | C8 | C7 | H5 | 43.6° | 177.0° |
| H7 | C8 | C7 | H4 | 162.7° | 56.8° |
| H6 | C8 | C7 | H5 | 75.2° | 56.9° |
| H6 | C8 | C7 | H4 | 43.8° | 63.2° |
