RM2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.33Å | 1.34Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C13 | H132 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.47Å | 1.46Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | N10 | doub | 1.30Å | 1.27Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| N10 | C9 | sing | 1.46Å | 1.48Å | |
| C9 | C1 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | H1C1 | sing | 1.09Å | 1.12Å | |
| C1 | H1C2 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | H2C1 | sing | 1.09Å | 1.11Å | |
| C2 | H2C2 | sing | 1.09Å | 1.11Å | |
| C3 | C8 | doub | 1.38Å | 1.33Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.35Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.35Å | |
| C5 | C6 | sing | 1.38Å | 1.33Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | H131 | 129.0° | 120.0° |
| C12 | C13 | H132 | 115.5° | 120.0° |
| C13 | C12 | C11 | 129.1° | 120.0° |
| C13 | C12 | H12 | 115.5° | 120.0° |
| H131 | C13 | H132 | 115.5° | 119.9° |
| C11 | C12 | H12 | 115.5° | 120.0° |
| C12 | C11 | N10 | 121.9° | 120.1° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| N10 | C11 | H11 | 119.1° | 119.9° |
| C11 | N10 | C9 | 118.6° | 120.0° |
| N10 | C9 | C1 | 112.9° | 110.4° |
| N10 | C9 | C8 | 122.5° | 110.3° |
| N10 | C9 | H9 | 105.2° | 110.3° |
| C1 | C9 | C8 | 104.5° | 105.1° |
| C1 | C9 | H9 | 105.2° | 110.4° |
| C9 | C1 | C2 | 106.8° | 102.4° |
| C9 | C1 | H1C1 | 113.2° | 110.8° |
| C9 | C1 | H1C2 | 113.2° | 110.8° |
| C8 | C9 | H9 | 105.2° | 110.2° |
| C9 | C8 | C3 | 112.3° | 109.8° |
| C9 | C8 | C7 | 127.5° | 130.3° |
| C2 | C1 | H1C1 | 113.2° | 110.9° |
| C2 | C1 | H1C2 | 113.2° | 110.8° |
| C1 | C2 | C3 | 104.6° | 105.2° |
| C1 | C2 | H2C1 | 114.0° | 110.3° |
| C1 | C2 | H2C2 | 114.0° | 110.3° |
| H1C1 | C1 | H1C2 | 97.3° | 110.9° |
| C3 | C2 | H2C1 | 114.0° | 110.4° |
| C3 | C2 | H2C2 | 114.1° | 110.1° |
| C2 | C3 | C8 | 111.6° | 109.8° |
| C2 | C3 | C4 | 127.8° | 130.4° |
| H2C1 | C2 | H2C2 | 96.5° | 110.4° |
| C8 | C3 | C4 | 120.6° | 119.8° |
| C3 | C8 | C7 | 120.0° | 119.9° |
| C3 | C4 | C5 | 118.7° | 120.1° |
| C3 | C4 | O4 | 123.5° | 120.0° |
| C8 | C7 | C6 | 120.3° | 120.3° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C6 | C7 | H7 | 119.8° | 119.8° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C5 | C4 | O4 | 117.7° | 120.0° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C4 | O4 | H4 | 123.5° | 106.7° |
| C6 | C5 | H5 | 119.7° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | H131 | H132 | 180.0° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 165.5° | 180.0° |
| C13 | C12 | C11 | H11 | 14.5° | 0.0° |
| H131 | C13 | C12 | C11 | 180.0° | 180.0° |
| H131 | C13 | C12 | H12 | 0.0° | 0.0° |
| H132 | C13 | C12 | C11 | 0.0° | 0.0° |
| H132 | C13 | C12 | H12 | 180.0° | 180.0° |
| C12 | C11 | N10 | H11 | 180.0° | 180.0° |
| C12 | C11 | N10 | C9 | 179.8° | 180.0° |
| H12 | C12 | C11 | N10 | 14.5° | 0.0° |
| H12 | C12 | C11 | H11 | 165.5° | 180.0° |
| C11 | N10 | C9 | C1 | 119.0° | 122.8° |
| C11 | N10 | C9 | C8 | 114.8° | 121.4° |
| C11 | N10 | C9 | H9 | 4.8° | 0.6° |
| H11 | C11 | N10 | C9 | 0.2° | 0.0° |
| N10 | C9 | C1 | C8 | 135.3° | 119.0° |
| N10 | C9 | C1 | H9 | 114.2° | 122.2° |
| N10 | C9 | C8 | H9 | 119.6° | 122.0° |
| N10 | C9 | C1 | C2 | 139.3° | 145.3° |
| N10 | C9 | C1 | H1C1 | 95.5° | 27.0° |
| N10 | C9 | C1 | H1C2 | 14.0° | 96.5° |
| N10 | C9 | C8 | C3 | 133.9° | 136.4° |
| N10 | C9 | C8 | C7 | 51.3° | 43.7° |
| C1 | C9 | C8 | H9 | 110.5° | 118.9° |
| C9 | C1 | C2 | H1C1 | 125.2° | 118.3° |
| C9 | C1 | C2 | H1C2 | 125.2° | 118.2° |
| C9 | C1 | H1C1 | H1C2 | 119.1° | 123.5° |
| C9 | C1 | C2 | C3 | 2.7° | 26.2° |
| C9 | C1 | C2 | H2C1 | 122.5° | 145.2° |
| C9 | C1 | C2 | H2C2 | 128.0° | 92.5° |
| C1 | C9 | C8 | C3 | 4.0° | 17.4° |
| C1 | C9 | C8 | C7 | 178.8° | 162.8° |
| C8 | C9 | C1 | C2 | 4.0° | 26.3° |
| C8 | C9 | C1 | H1C1 | 129.2° | 92.0° |
| C8 | C9 | C1 | H1C2 | 121.3° | 144.5° |
| C9 | C8 | C3 | C2 | 2.4° | 0.3° |
| C9 | C8 | C3 | C7 | 175.2° | 179.9° |
| C9 | C8 | C3 | C4 | 176.9° | 179.7° |
| C9 | C8 | C7 | C6 | 176.9° | 180.0° |
| C9 | C8 | C7 | H7 | 3.1° | 0.1° |
| H9 | C9 | C1 | C2 | 106.6° | 92.5° |
| H9 | C9 | C1 | H1C1 | 18.7° | 149.2° |
| H9 | C9 | C1 | H1C2 | 128.2° | 25.7° |
| H9 | C9 | C8 | C3 | 106.5° | 101.6° |
| H9 | C9 | C8 | C7 | 68.3° | 78.3° |
| C2 | C1 | H1C1 | H1C2 | 119.2° | 123.5° |
| C1 | C2 | C3 | H2C1 | 125.2° | 119.0° |
| C1 | C2 | C3 | H2C2 | 125.3° | 118.9° |
| C1 | C2 | H2C1 | H2C2 | 119.9° | 122.2° |
| C1 | C2 | C3 | C8 | 0.3° | 16.9° |
| C1 | C2 | C3 | C4 | 179.5° | 162.4° |
| H1C1 | C1 | C2 | C3 | 128.0° | 92.1° |
| H1C1 | C1 | C2 | H2C1 | 2.7° | 27.0° |
| H1C1 | C1 | C2 | H2C2 | 106.7° | 149.2° |
| H1C2 | C1 | C2 | C3 | 122.5° | 144.4° |
| H1C2 | C1 | C2 | H2C1 | 112.3° | 96.5° |
| H1C2 | C1 | C2 | H2C2 | 2.8° | 25.7° |
| C3 | C2 | H2C1 | H2C2 | 120.0° | 122.0° |
| C2 | C3 | C8 | C4 | 179.2° | 179.4° |
| C2 | C3 | C8 | C7 | 177.6° | 179.8° |
| C2 | C3 | C4 | C5 | 179.0° | 179.7° |
| C2 | C3 | C4 | O4 | 1.2° | 0.6° |
| H2C1 | C2 | C3 | C8 | 124.9° | 135.9° |
| H2C1 | C2 | C3 | C4 | 54.2° | 43.4° |
| H2C2 | C2 | C3 | C8 | 125.6° | 102.0° |
| H2C2 | C2 | C3 | C4 | 55.3° | 78.7° |
| C3 | C8 | C7 | C6 | 2.5° | 0.2° |
| C3 | C8 | C7 | H7 | 177.6° | 179.8° |
| C8 | C3 | C4 | C5 | 0.1° | 0.5° |
| C8 | C3 | C4 | O4 | 179.7° | 179.8° |
| C4 | C3 | C8 | C7 | 1.6° | 0.5° |
| C3 | C4 | C5 | O4 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C3 | C4 | C5 | H5 | 179.4° | 179.7° |
| C3 | C4 | O4 | H4 | 180.0° | 90.3° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.7° | 0.0° |
| C8 | C7 | C6 | H6 | 178.3° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| H7 | C7 | C6 | C5 | 178.3° | 180.0° |
| H7 | C7 | C6 | H6 | 1.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | O4 | H4 | 0.2° | 90.0° |
| O4 | C4 | C5 | C6 | 179.6° | 179.9° |
| O4 | C4 | C5 | H5 | 0.4° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
