RCV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.38Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | O | sing | 1.34Å | 1.30Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C | O | sing | 1.45Å | 1.43Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.50Å | |
| N | C9 | sing | 1.47Å | 1.49Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 126.1° | 120.0° |
| O1 | C1 | O | 124.9° | 120.0° |
| C5 | C4 | C3 | 118.9° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C4 | C3 | O2 | 120.1° | 120.1° |
| C4 | C3 | C8 | 120.5° | 119.9° |
| C3 | C4 | H1 | 120.6° | 120.0° |
| C3 | O2 | C2 | 121.2° | 117.0° |
| O2 | C3 | C8 | 119.3° | 120.0° |
| O2 | C2 | C1 | 108.7° | 109.5° |
| O2 | C2 | H10 | 109.7° | 109.5° |
| O2 | C2 | H11 | 109.7° | 109.5° |
| C5 | C6 | C7 | 120.7° | 120.1° |
| C6 | C5 | H2 | 119.7° | 120.0° |
| C5 | C6 | H3 | 119.7° | 120.0° |
| C2 | C1 | O | 109.0° | 120.0° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| C1 | C2 | H11 | 109.7° | 109.5° |
| C1 | O | C | 113.7° | 117.0° |
| C3 | C8 | C7 | 120.3° | 119.9° |
| C3 | C8 | H4 | 119.8° | 120.0° |
| O | C | H7 | 109.5° | 109.4° |
| O | C | H8 | 109.5° | 109.5° |
| O | C | H9 | 109.4° | 109.5° |
| C6 | C7 | C8 | 119.0° | 120.1° |
| C6 | C7 | C9 | 120.8° | 119.9° |
| C7 | C6 | H3 | 119.6° | 119.9° |
| C8 | C7 | C9 | 120.2° | 120.0° |
| C7 | C8 | H4 | 119.8° | 120.0° |
| C7 | C9 | N | 112.1° | 109.5° |
| C7 | C9 | H5 | 108.8° | 109.5° |
| C7 | C9 | H6 | 108.8° | 109.5° |
| N | C9 | H5 | 108.8° | 109.4° |
| N | C9 | H6 | 108.8° | 109.4° |
| C9 | N | H12 | 109.5° | 111.0° |
| C9 | N | H13 | 109.4° | 111.1° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.4° |
| H7 | C | H9 | 109.5° | 109.4° |
| H8 | C | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O2 | 9.0° | 0.0° |
| O1 | C1 | C2 | O | 179.2° | 180.0° |
| O1 | C1 | O | C | 10.8° | 0.1° |
| O1 | C1 | C2 | H10 | 128.9° | 120.0° |
| O1 | C1 | C2 | H11 | 110.9° | 120.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | O2 | 179.7° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C8 | 0.4° | 0.1° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C4 | C5 | C6 | H3 | 179.3° | 180.0° |
| C4 | C3 | O2 | C8 | 179.8° | 179.9° |
| C4 | C3 | O2 | C2 | 179.9° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C8 | C7 | 0.7° | 0.1° |
| C3 | C4 | C5 | H2 | 179.7° | 180.0° |
| C4 | C3 | C8 | H4 | 179.3° | 180.0° |
| C3 | O2 | C2 | C1 | 75.0° | 180.0° |
| O2 | C3 | C8 | C7 | 179.5° | 180.0° |
| O2 | C3 | C4 | H1 | 0.3° | 0.3° |
| O2 | C3 | C8 | H4 | 0.5° | 0.0° |
| C3 | O2 | C2 | H10 | 44.9° | 60.0° |
| C3 | O2 | C2 | H11 | 165.1° | 60.0° |
| O2 | C2 | C1 | H10 | 119.9° | 120.0° |
| O2 | C2 | C1 | H11 | 119.9° | 120.0° |
| O2 | C2 | C1 | O | 171.8° | 180.0° |
| C2 | O2 | C3 | C8 | 0.3° | 179.9° |
| O2 | C2 | H10 | H11 | 120.3° | 120.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | C9 | 179.0° | 180.0° |
| C6 | C5 | C4 | H1 | 179.8° | 179.7° |
| C2 | C1 | O | C | 170.0° | 180.0° |
| C1 | C2 | H10 | H11 | 120.4° | 120.0° |
| C1 | O | C | H7 | 180.0° | 60.0° |
| C1 | O | C | H8 | 60.0° | 59.9° |
| C1 | O | C | H9 | 60.0° | 180.0° |
| O | C1 | C2 | H10 | 52.0° | 60.0° |
| O | C1 | C2 | H11 | 68.3° | 60.0° |
| C3 | C8 | C7 | C6 | 0.2° | 0.1° |
| C3 | C8 | C7 | H4 | 180.0° | 179.9° |
| C3 | C8 | C7 | C9 | 178.3° | 180.0° |
| C8 | C3 | C4 | H1 | 179.5° | 179.7° |
| O | C | H7 | H8 | 120.0° | 120.0° |
| O | C | H7 | H9 | 120.0° | 120.0° |
| O | C | H8 | H9 | 120.0° | 120.1° |
| C6 | C7 | C8 | C9 | 178.5° | 179.9° |
| C6 | C7 | C9 | N | 122.1° | 90.0° |
| C7 | C6 | C5 | H2 | 179.3° | 180.0° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C6 | C7 | C9 | H5 | 1.7° | 150.1° |
| C6 | C7 | C9 | H6 | 117.5° | 29.9° |
| C8 | C7 | C9 | N | 56.4° | 90.0° |
| C8 | C7 | C6 | H3 | 179.5° | 180.0° |
| C8 | C7 | C9 | H5 | 176.8° | 29.9° |
| C8 | C7 | C9 | H6 | 64.0° | 150.0° |
| C7 | C9 | N | H5 | 120.4° | 120.0° |
| C7 | C9 | N | H6 | 120.4° | 120.0° |
| C9 | C7 | C6 | H3 | 1.0° | 0.0° |
| C9 | C7 | C8 | H4 | 1.7° | 0.1° |
| C7 | C9 | H5 | H6 | 118.8° | 120.1° |
| C7 | C9 | N | H12 | 180.0° | 56.1° |
| C7 | C9 | N | H13 | 60.0° | 180.0° |
| N | C9 | H5 | H6 | 118.8° | 120.0° |
| C9 | N | H12 | H13 | 120.0° | 124.0° |
| H1 | C4 | C5 | H2 | 0.3° | 0.3° |
| H2 | C5 | C6 | H3 | 0.7° | 0.0° |
| H5 | C9 | N | H12 | 59.6° | 63.9° |
| H5 | C9 | N | H13 | 179.6° | 60.0° |
| H6 | C9 | N | H12 | 59.6° | 176.1° |
| H6 | C9 | N | H13 | 60.4° | 60.0° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
