RG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| O | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C19 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C18 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C16 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C16 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.40Å | 1.41Å | |
| N | C8 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.74Å | |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 107.7° | 109.4° |
| C | C1 | C3 | 110.6° | 109.5° |
| C | C1 | C2 | 110.2° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C | H19 | 109.5° | 109.4° |
| O | C1 | C3 | 111.8° | 109.5° |
| O | C1 | C2 | 106.5° | 109.5° |
| C1 | O | H13 | 109.5° | 114.0° |
| C3 | C1 | C2 | 109.9° | 109.5° |
| C1 | C3 | C19 | 120.6° | 119.5° |
| C1 | C3 | C4 | 120.7° | 119.5° |
| C1 | C2 | H14 | 109.5° | 109.4° |
| C1 | C2 | H15 | 109.5° | 109.5° |
| C1 | C2 | H16 | 109.5° | 109.5° |
| C3 | C19 | C18 | 121.6° | 119.5° |
| C19 | C3 | C4 | 118.5° | 121.1° |
| C3 | C19 | H12 | 119.2° | 120.2° |
| C19 | C18 | C17 | 123.7° | 122.0° |
| C19 | C18 | C6 | 118.9° | 119.3° |
| C18 | C19 | H12 | 119.2° | 120.2° |
| C3 | C4 | C5 | 121.9° | 121.0° |
| C3 | C4 | H1 | 119.1° | 119.5° |
| C18 | C17 | N1 | 124.3° | 120.2° |
| C17 | C18 | C6 | 117.5° | 118.7° |
| C18 | C17 | H5 | 117.9° | 119.9° |
| C17 | N1 | C16 | 117.5° | 122.9° |
| N1 | C17 | H5 | 117.8° | 119.9° |
| C18 | C6 | C5 | 118.1° | 119.6° |
| C18 | C6 | C7 | 118.1° | 118.2° |
| N1 | C16 | C7 | 124.9° | 121.6° |
| N1 | C16 | H11 | 117.6° | 119.2° |
| C4 | C5 | C6 | 121.0° | 119.5° |
| C5 | C4 | H1 | 119.0° | 119.5° |
| C4 | C5 | H2 | 119.5° | 120.3° |
| C5 | C6 | C7 | 123.8° | 122.2° |
| C6 | C5 | H2 | 119.5° | 120.2° |
| C6 | C7 | C16 | 117.7° | 118.5° |
| C6 | C7 | N | 118.2° | 120.8° |
| C16 | C7 | N | 124.1° | 120.7° |
| C7 | C16 | H11 | 117.6° | 119.3° |
| C7 | N | C8 | 128.0° | 120.0° |
| C7 | N | H10 | 116.0° | 120.0° |
| N | C8 | C9 | 114.4° | 120.0° |
| N | C8 | O1 | 123.6° | 120.0° |
| C8 | N | H10 | 116.0° | 120.0° |
| C9 | C8 | O1 | 122.0° | 120.0° |
| C8 | C9 | C10 | 113.4° | 109.5° |
| C8 | C9 | H8 | 108.5° | 109.5° |
| C8 | C9 | H9 | 108.5° | 109.5° |
| C9 | C10 | C15 | 120.1° | 120.0° |
| C9 | C10 | C11 | 120.8° | 120.0° |
| C10 | C9 | H8 | 108.5° | 109.4° |
| C10 | C9 | H9 | 108.5° | 109.5° |
| C15 | C10 | C11 | 118.8° | 120.0° |
| C10 | C15 | C14 | 119.7° | 120.0° |
| C10 | C15 | H4 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.1° |
| C10 | C11 | H7 | 119.6° | 120.0° |
| C15 | C14 | CL | 118.9° | 120.1° |
| C15 | C14 | C13 | 121.7° | 120.0° |
| C14 | C15 | H4 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | H6 | 119.9° | 120.0° |
| C12 | C11 | H7 | 119.6° | 120.0° |
| CL | C14 | C13 | 119.2° | 120.0° |
| C14 | C13 | C12 | 118.6° | 120.0° |
| C14 | C13 | H3 | 120.7° | 120.0° |
| C12 | C13 | H3 | 120.7° | 120.0° |
| C13 | C12 | H6 | 119.9° | 120.0° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.4° | 109.5° |
| H14 | C2 | H16 | 109.4° | 109.5° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H17 | C | H19 | 109.5° | 109.5° |
| H18 | C | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | C3 | 121.7° | 120.0° |
| C | C1 | O | C2 | 118.2° | 120.0° |
| C | C1 | C3 | C2 | 121.9° | 120.0° |
| C | C1 | C3 | C19 | 136.3° | 90.0° |
| C | C1 | C3 | C4 | 48.2° | 90.0° |
| C | C1 | O | H13 | 180.0° | 60.0° |
| C | C1 | C2 | H14 | 180.0° | 60.0° |
| C | C1 | C2 | H15 | 60.0° | 59.9° |
| C | C1 | C2 | H16 | 60.0° | 179.9° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H19 | 120.0° | 119.9° |
| C1 | C | H18 | H19 | 120.0° | 119.9° |
| O | C1 | C3 | C2 | 118.1° | 120.0° |
| O | C1 | C3 | C19 | 16.3° | 30.0° |
| O | C1 | C3 | C4 | 168.2° | 150.0° |
| O | C1 | C2 | H14 | 63.5° | 180.0° |
| O | C1 | C2 | H15 | 56.5° | 60.0° |
| O | C1 | C2 | H16 | 176.6° | 60.0° |
| O | C1 | C | H17 | 180.0° | 60.0° |
| O | C1 | C | H18 | 60.0° | 60.0° |
| O | C1 | C | H19 | 60.0° | 180.0° |
| C1 | C3 | C19 | C4 | 175.6° | 180.0° |
| C1 | C3 | C19 | C18 | 174.4° | 180.0° |
| C1 | C3 | C4 | C5 | 173.9° | 180.0° |
| C1 | C3 | C4 | H1 | 6.1° | 0.0° |
| C1 | C3 | C19 | H12 | 5.6° | 0.0° |
| C3 | C1 | O | H13 | 58.3° | 60.0° |
| C3 | C1 | C2 | H14 | 57.9° | 60.0° |
| C3 | C1 | C2 | H15 | 177.9° | 180.0° |
| C3 | C1 | C2 | H16 | 62.1° | 60.0° |
| C3 | C1 | C | H17 | 57.5° | 60.0° |
| C3 | C1 | C | H18 | 177.5° | 180.0° |
| C3 | C1 | C | H19 | 62.5° | 60.0° |
| C2 | C1 | C3 | C19 | 101.8° | 150.0° |
| C2 | C1 | C3 | C4 | 73.7° | 30.0° |
| C2 | C1 | O | H13 | 61.8° | 180.0° |
| C1 | C2 | H14 | H15 | 120.0° | 120.0° |
| C1 | C2 | H14 | H16 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 120.0° | 120.0° |
| C2 | C1 | C | H17 | 64.2° | 180.0° |
| C2 | C1 | C | H18 | 55.8° | 60.0° |
| C2 | C1 | C | H19 | 175.8° | 60.0° |
| C3 | C19 | C18 | H12 | 180.0° | 180.0° |
| C3 | C19 | C18 | C17 | 179.3° | 180.0° |
| C3 | C19 | C18 | C6 | 0.0° | 0.0° |
| C19 | C3 | C4 | C5 | 1.6° | 0.1° |
| C19 | C3 | C4 | H1 | 178.4° | 180.0° |
| C18 | C19 | C3 | C4 | 1.1° | 0.0° |
| C19 | C18 | C17 | C6 | 179.3° | 179.9° |
| C19 | C18 | C17 | N1 | 179.5° | 180.0° |
| C19 | C18 | C6 | C5 | 0.7° | 0.0° |
| C19 | C18 | C6 | C7 | 179.0° | 179.9° |
| C19 | C18 | C17 | H5 | 0.5° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | H2 | 179.0° | 180.0° |
| C4 | C3 | C19 | H12 | 178.9° | 180.0° |
| C18 | C17 | N1 | H5 | 180.0° | 179.9° |
| C18 | C17 | N1 | C16 | 0.1° | 0.0° |
| C17 | C18 | C6 | C5 | 180.0° | 179.9° |
| C17 | C18 | C6 | C7 | 0.3° | 0.0° |
| C17 | C18 | C19 | H12 | 0.7° | 0.1° |
| N1 | C17 | C18 | C6 | 0.2° | 0.0° |
| C17 | N1 | C16 | C7 | 0.5° | 0.1° |
| C17 | N1 | C16 | H11 | 179.5° | 179.9° |
| C18 | C6 | C5 | C4 | 0.2° | 0.0° |
| C18 | C6 | C5 | C7 | 179.6° | 179.9° |
| C18 | C6 | C7 | C16 | 0.9° | 0.1° |
| C18 | C6 | C7 | N | 177.4° | 179.9° |
| C18 | C6 | C5 | H2 | 179.8° | 180.0° |
| C6 | C18 | C17 | H5 | 179.9° | 180.0° |
| C6 | C18 | C19 | H12 | 180.0° | 180.0° |
| N1 | C16 | C7 | C6 | 1.0° | 0.1° |
| N1 | C16 | C7 | H11 | 180.0° | 179.9° |
| N1 | C16 | C7 | N | 177.2° | 179.9° |
| C16 | N1 | C17 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C5 | C6 | C7 | C16 | 179.5° | 180.0° |
| C5 | C6 | C7 | N | 2.2° | 0.0° |
| C6 | C5 | C4 | H1 | 179.0° | 180.0° |
| C6 | C7 | C16 | N | 178.2° | 180.0° |
| C6 | C7 | N | C8 | 94.4° | 155.2° |
| C7 | C6 | C5 | H2 | 0.5° | 0.1° |
| C6 | C7 | N | H10 | 85.6° | 24.7° |
| C6 | C7 | C16 | H11 | 179.0° | 180.0° |
| C16 | C7 | N | C8 | 83.8° | 24.7° |
| C16 | C7 | N | H10 | 96.2° | 155.3° |
| C7 | N | C8 | H10 | 180.0° | 180.0° |
| C7 | N | C8 | C9 | 171.0° | 174.5° |
| C7 | N | C8 | O1 | 8.1° | 5.5° |
| N | C7 | C16 | H11 | 2.8° | 0.1° |
| N | C8 | C9 | O1 | 179.1° | 180.0° |
| N | C8 | C9 | C10 | 170.4° | 180.0° |
| N | C8 | C9 | H8 | 69.0° | 60.0° |
| N | C8 | C9 | H9 | 49.9° | 60.0° |
| C8 | C9 | C10 | H8 | 120.6° | 120.0° |
| C8 | C9 | C10 | H9 | 120.6° | 120.0° |
| C8 | C9 | C10 | C15 | 89.8° | 90.0° |
| C8 | C9 | C10 | C11 | 84.1° | 90.3° |
| C8 | C9 | H8 | H9 | 118.2° | 120.0° |
| C9 | C8 | N | H10 | 9.0° | 5.6° |
| O1 | C8 | C9 | C10 | 8.7° | 0.0° |
| O1 | C8 | C9 | H8 | 111.9° | 120.0° |
| O1 | C8 | C9 | H9 | 129.2° | 120.0° |
| O1 | C8 | N | H10 | 171.9° | 174.4° |
| C9 | C10 | C15 | C11 | 174.0° | 179.7° |
| C9 | C10 | C15 | C14 | 169.7° | 179.7° |
| C9 | C10 | C11 | C12 | 171.4° | 179.7° |
| C9 | C10 | C15 | H4 | 10.3° | 0.3° |
| C9 | C10 | C11 | H7 | 8.6° | 0.2° |
| C10 | C9 | H8 | H9 | 118.2° | 120.0° |
| C10 | C15 | C14 | H4 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 2.6° | 0.0° |
| C10 | C15 | C14 | CL | 171.8° | 180.0° |
| C10 | C15 | C14 | C13 | 3.2° | 0.0° |
| C15 | C10 | C11 | H7 | 177.5° | 180.0° |
| C15 | C10 | C9 | H8 | 149.7° | 30.0° |
| C15 | C10 | C9 | H9 | 30.8° | 150.0° |
| C11 | C10 | C15 | C14 | 4.3° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C11 | C10 | C15 | H4 | 175.7° | 180.0° |
| C10 | C11 | C12 | H6 | 179.7° | 180.0° |
| C11 | C10 | C9 | H8 | 36.5° | 149.8° |
| C11 | C10 | C9 | H9 | 155.3° | 29.7° |
| C15 | C14 | CL | C13 | 175.1° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H3 | 179.7° | 180.0° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | H3 | 178.5° | 179.9° |
| CL | C14 | C13 | C12 | 174.7° | 180.0° |
| CL | C14 | C13 | H3 | 5.3° | 0.0° |
| CL | C14 | C15 | H4 | 8.2° | 0.0° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 176.8° | 180.0° |
| C14 | C13 | C12 | H6 | 178.6° | 180.0° |
| C13 | C12 | C11 | H7 | 179.7° | 180.0° |
| H1 | C4 | C5 | H2 | 1.0° | 0.0° |
| H3 | C13 | C12 | H6 | 1.5° | 0.0° |
| H6 | C12 | C11 | H7 | 0.3° | 0.0° |
| H14 | C2 | H15 | H16 | 120.0° | 120.0° |
| H17 | C | H18 | H19 | 120.0° | 120.0° |
