RDY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N | sing | 1.47Å | 1.46Å | |
| O | C2 | doub | 1.21Å | 1.26Å | |
| O1 | C2 | sing | 1.34Å | 1.24Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.35Å | 1.36Å | |
| O2 | C4 | doub | 1.21Å | 1.19Å | |
| C4 | O3 | sing | 1.35Å | 1.32Å | |
| O3 | C5 | sing | 1.45Å | 1.46Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N | C1 | 116.6° | 120.0° |
| C3 | N | C4 | 119.3° | 120.0° |
| N | C3 | H8 | 109.5° | 109.5° |
| N | C3 | H9 | 109.5° | 109.5° |
| N | C3 | H10 | 109.5° | 109.5° |
| O | C2 | O1 | 125.2° | 120.0° |
| O | C2 | C1 | 122.6° | 120.0° |
| O1 | C2 | C1 | 112.2° | 120.0° |
| C2 | O1 | H12 | 109.5° | 117.0° |
| C2 | C1 | C | 110.3° | 109.5° |
| C2 | C1 | N | 110.8° | 109.5° |
| C2 | C1 | H11 | 107.4° | 109.5° |
| C | C1 | N | 112.1° | 109.5° |
| C | C1 | H11 | 107.6° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.4° | 109.5° |
| C1 | C | H15 | 109.4° | 109.5° |
| C1 | N | C4 | 124.0° | 120.0° |
| N | C1 | H11 | 108.3° | 109.4° |
| N | C4 | O2 | 124.4° | 120.0° |
| N | C4 | O3 | 113.4° | 120.0° |
| O2 | C4 | O3 | 122.3° | 120.0° |
| C4 | O3 | C5 | 111.8° | 117.0° |
| O3 | C5 | C6 | 108.1° | 109.5° |
| O3 | C5 | H1 | 109.8° | 109.5° |
| O3 | C5 | H2 | 109.8° | 109.4° |
| C5 | C6 | C7 | 122.7° | 120.0° |
| C5 | C6 | C11 | 119.2° | 120.0° |
| C6 | C5 | H1 | 109.8° | 109.5° |
| C6 | C5 | H2 | 109.8° | 109.5° |
| C7 | C6 | C11 | 118.2° | 120.1° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C6 | C11 | C10 | 121.0° | 120.0° |
| C6 | C11 | H7 | 119.5° | 120.0° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C8 | C7 | H3 | 119.7° | 120.0° |
| C7 | C8 | H4 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.2° | 120.0° |
| C11 | C10 | H6 | 119.9° | 120.0° |
| C10 | C11 | H7 | 119.5° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H4 | 119.9° | 120.0° |
| C8 | C9 | H5 | 120.0° | 120.0° |
| C10 | C9 | H5 | 120.0° | 120.0° |
| C9 | C10 | H6 | 119.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.4° | 109.5° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N | C1 | C2 | 68.8° | 60.0° |
| C3 | N | C1 | C | 54.9° | 60.0° |
| C3 | N | C1 | C4 | 176.7° | 180.0° |
| C3 | N | C4 | O2 | 2.1° | 180.0° |
| C3 | N | C4 | O3 | 179.2° | 0.0° |
| N | C3 | H8 | H9 | 120.0° | 120.0° |
| N | C3 | H8 | H10 | 120.0° | 120.0° |
| N | C3 | H9 | H10 | 120.0° | 120.0° |
| C3 | N | C1 | H11 | 173.6° | 180.0° |
| O | C2 | O1 | C1 | 177.7° | 179.9° |
| O | C2 | C1 | C | 135.4° | 120.0° |
| O | C2 | C1 | N | 10.6° | 0.0° |
| O | C2 | C1 | H11 | 107.6° | 119.9° |
| O | C2 | O1 | H12 | 0.0° | 0.1° |
| O1 | C2 | C1 | C | 42.4° | 60.1° |
| O1 | C2 | C1 | N | 167.1° | 179.9° |
| O1 | C2 | C1 | H11 | 74.7° | 60.0° |
| C2 | C1 | C | N | 124.0° | 120.0° |
| C2 | C1 | C | H11 | 116.9° | 120.0° |
| C2 | C1 | N | H11 | 117.6° | 119.9° |
| C2 | C1 | N | C4 | 114.5° | 120.0° |
| C1 | C2 | O1 | H12 | 177.7° | 180.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C | C1 | N | H11 | 118.7° | 120.0° |
| C | C1 | N | C4 | 121.8° | 120.0° |
| C1 | C | H13 | H14 | 120.0° | 120.0° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 119.9° | 120.1° |
| C1 | N | C4 | O2 | 178.7° | 0.0° |
| C1 | N | C4 | O3 | 2.6° | 180.0° |
| C1 | N | C3 | H8 | 180.0° | 90.0° |
| C1 | N | C3 | H9 | 60.0° | 150.0° |
| C1 | N | C3 | H10 | 60.0° | 30.0° |
| N | C1 | C | H13 | 56.0° | 180.0° |
| N | C1 | C | H14 | 64.0° | 60.0° |
| N | C1 | C | H15 | 176.0° | 60.0° |
| N | C4 | O2 | O3 | 178.6° | 180.0° |
| N | C4 | O3 | C5 | 173.7° | 180.0° |
| C4 | N | C3 | H8 | 3.1° | 90.0° |
| C4 | N | C3 | H9 | 123.1° | 30.0° |
| C4 | N | C3 | H10 | 116.9° | 150.0° |
| C4 | N | C1 | H11 | 3.1° | 0.0° |
| O2 | C4 | O3 | C5 | 7.6° | 0.0° |
| C4 | O3 | C5 | C6 | 167.4° | 180.0° |
| C4 | O3 | C5 | H1 | 72.8° | 60.0° |
| C4 | O3 | C5 | H2 | 47.7° | 60.0° |
| O3 | C5 | C6 | H1 | 119.8° | 120.0° |
| O3 | C5 | C6 | H2 | 119.8° | 120.0° |
| O3 | C5 | C6 | C7 | 77.4° | 90.0° |
| O3 | C5 | C6 | C11 | 102.8° | 90.3° |
| O3 | C5 | H1 | H2 | 120.6° | 120.0° |
| C5 | C6 | C7 | C11 | 179.8° | 179.7° |
| C5 | C6 | C7 | C8 | 179.4° | 180.0° |
| C5 | C6 | C11 | C10 | 179.8° | 179.8° |
| C6 | C5 | H1 | H2 | 120.6° | 120.1° |
| C5 | C6 | C7 | H3 | 0.6° | 0.0° |
| C5 | C6 | C11 | H7 | 0.2° | 0.0° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.5° |
| C6 | C7 | C8 | C9 | 2.0° | 0.0° |
| C7 | C6 | C5 | H1 | 42.3° | 29.9° |
| C7 | C6 | C5 | H2 | 162.8° | 150.0° |
| C6 | C7 | C8 | H4 | 178.1° | 179.9° |
| C7 | C6 | C11 | H7 | 179.7° | 179.7° |
| C11 | C6 | C7 | C8 | 0.4° | 0.3° |
| C6 | C11 | C10 | H7 | 180.0° | 179.8° |
| C6 | C11 | C10 | C9 | 0.4° | 0.5° |
| C11 | C6 | C5 | H1 | 137.5° | 149.8° |
| C11 | C6 | C5 | H2 | 17.0° | 29.7° |
| C11 | C6 | C7 | H3 | 179.6° | 179.7° |
| C6 | C11 | C10 | H6 | 179.6° | 179.7° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 2.7° | 0.0° |
| C7 | C8 | C9 | H5 | 177.3° | 180.0° |
| C11 | C10 | C9 | C8 | 1.9° | 0.2° |
| C11 | C10 | C9 | H6 | 180.0° | 179.8° |
| C11 | C10 | C9 | H5 | 178.1° | 179.8° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C9 | C8 | C7 | H3 | 178.0° | 180.0° |
| C8 | C9 | C10 | H6 | 178.1° | 180.0° |
| C10 | C9 | C8 | H4 | 177.3° | 180.0° |
| C9 | C10 | C11 | H7 | 179.6° | 179.7° |
| H3 | C7 | C8 | H4 | 1.9° | 0.1° |
| H4 | C8 | C9 | H5 | 2.7° | 0.1° |
| H5 | C9 | C10 | H6 | 1.9° | 0.0° |
| H6 | C10 | C11 | H7 | 0.4° | 0.1° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
| H11 | C1 | C | H13 | 63.0° | 60.1° |
| H11 | C1 | C | H14 | 176.9° | 59.9° |
| H11 | C1 | C | H15 | 57.0° | 179.9° |
| H13 | C | H14 | H15 | 120.0° | 119.9° |
