RMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | trip | 1.17Å | 1.30Å | |
| C13 | H13 | sing | 1.05Å | 1.09Å | |
| C12 | C11 | sing | 1.47Å | 1.54Å | |
| C11 | N10 | sing | 1.47Å | 1.29Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N10 | C10 | sing | 1.47Å | 1.29Å | |
| N10 | C9 | sing | 1.47Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C9 | C1 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | 125.2° | 180.0° |
| C12 | C11 | N10 | 121.7° | 109.5° |
| C12 | C11 | H111 | 107.8° | 109.5° |
| C12 | C11 | H112 | 107.9° | 109.4° |
| N10 | C11 | H111 | 107.9° | 109.5° |
| N10 | C11 | H112 | 107.9° | 109.5° |
| C11 | N10 | C10 | 120.0° | 106.7° |
| C11 | N10 | C9 | 118.6° | 106.7° |
| H111 | C11 | H112 | 102.0° | 109.5° |
| C10 | N10 | C9 | 121.4° | 106.7° |
| N10 | C10 | H101 | 108.4° | 109.4° |
| N10 | C10 | H102 | 120.0° | 109.5° |
| N10 | C10 | H103 | 108.5° | 109.5° |
| N10 | C9 | C1 | 111.3° | 110.3° |
| N10 | C9 | C8 | 112.8° | 110.3° |
| N10 | C9 | H9 | 104.0° | 110.3° |
| H101 | C10 | H102 | 108.5° | 109.4° |
| H101 | C10 | H103 | 101.5° | 109.5° |
| H102 | C10 | H103 | 108.4° | 109.5° |
| C1 | C9 | C8 | 102.7° | 105.2° |
| C1 | C9 | H9 | 113.9° | 110.3° |
| C9 | C1 | C2 | 108.6° | 102.4° |
| C9 | C1 | H11 | 112.5° | 110.8° |
| C9 | C1 | H12 | 112.6° | 110.8° |
| C8 | C9 | H9 | 112.5° | 110.3° |
| C9 | C8 | C3 | 112.2° | 109.7° |
| C9 | C8 | C7 | 126.7° | 130.5° |
| C2 | C1 | H11 | 112.6° | 110.8° |
| C2 | C1 | H12 | 112.5° | 110.8° |
| C1 | C2 | C3 | 103.1° | 105.2° |
| C1 | C2 | H21 | 114.6° | 110.3° |
| C1 | C2 | H22 | 114.6° | 110.3° |
| H11 | C1 | H12 | 97.9° | 110.9° |
| C3 | C2 | H21 | 114.7° | 110.3° |
| C3 | C2 | H22 | 114.7° | 110.3° |
| C2 | C3 | C8 | 112.2° | 109.7° |
| C2 | C3 | C4 | 126.0° | 130.4° |
| H21 | C2 | H22 | 95.8° | 110.3° |
| C8 | C3 | C4 | 121.8° | 119.9° |
| C3 | C8 | C7 | 121.2° | 119.8° |
| C3 | C4 | C5 | 117.9° | 120.3° |
| C3 | C4 | H4 | 120.8° | 119.9° |
| C8 | C7 | C6 | 117.7° | 120.3° |
| C8 | C7 | H7 | 120.9° | 119.8° |
| C6 | C7 | H7 | 121.3° | 119.9° |
| C7 | C6 | C5 | 121.1° | 119.9° |
| C7 | C6 | H6 | 119.4° | 120.0° |
| C5 | C4 | H4 | 121.3° | 119.8° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.1° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | N10 | 179.9° | 50.6° |
| C13 | C12 | C11 | H111 | 54.6° | 69.4° |
| C13 | C12 | C11 | H112 | 54.9° | 170.5° |
| H13 | C13 | C12 | C11 | 162.5° | 164.9° |
| C12 | C11 | N10 | H111 | 125.3° | 120.0° |
| C12 | C11 | N10 | H112 | 125.3° | 119.9° |
| C12 | C11 | H111 | H112 | 113.4° | 120.0° |
| C12 | C11 | N10 | C10 | 0.7° | 76.9° |
| C12 | C11 | N10 | C9 | 179.7° | 169.3° |
| N10 | C11 | H111 | H112 | 113.4° | 120.0° |
| C11 | N10 | C10 | C9 | 179.5° | 113.8° |
| C11 | N10 | C10 | H101 | 54.7° | 180.0° |
| C11 | N10 | C10 | H102 | 180.0° | 60.0° |
| C11 | N10 | C10 | H103 | 54.7° | 60.0° |
| C11 | N10 | C9 | C1 | 99.2° | 54.2° |
| C11 | N10 | C9 | C8 | 146.0° | 61.6° |
| C11 | N10 | C9 | H9 | 23.8° | 176.3° |
| H111 | C11 | N10 | C10 | 126.0° | 43.1° |
| H111 | C11 | N10 | C9 | 54.5° | 70.7° |
| H112 | C11 | N10 | C10 | 124.6° | 163.1° |
| H112 | C11 | N10 | C9 | 55.0° | 49.3° |
| N10 | C10 | H101 | H102 | 131.8° | 120.0° |
| N10 | C10 | H101 | H103 | 114.1° | 120.0° |
| N10 | C10 | H102 | H103 | 125.3° | 120.1° |
| C10 | N10 | C9 | C1 | 80.3° | 59.5° |
| C10 | N10 | C9 | C8 | 34.5° | 175.3° |
| C10 | N10 | C9 | H9 | 156.6° | 62.6° |
| C9 | N10 | C10 | H101 | 124.8° | 66.2° |
| C9 | N10 | C10 | H102 | 0.5° | 53.7° |
| C9 | N10 | C10 | H103 | 125.7° | 173.8° |
| N10 | C9 | C1 | C8 | 120.9° | 119.0° |
| N10 | C9 | C1 | H9 | 117.2° | 122.1° |
| N10 | C9 | C8 | H9 | 117.3° | 122.1° |
| N10 | C9 | C1 | C2 | 131.9° | 145.3° |
| N10 | C9 | C1 | H11 | 102.8° | 27.1° |
| N10 | C9 | C1 | H12 | 6.7° | 96.5° |
| N10 | C9 | C8 | C3 | 127.2° | 136.0° |
| N10 | C9 | C8 | C7 | 53.6° | 43.8° |
| H101 | C10 | H102 | H103 | 109.5° | 120.0° |
| C1 | C9 | C8 | H9 | 122.9° | 118.9° |
| C9 | C1 | C2 | H11 | 125.3° | 118.2° |
| C9 | C1 | C2 | H12 | 125.3° | 118.2° |
| C9 | C1 | H11 | H12 | 118.5° | 123.5° |
| C9 | C1 | C2 | C3 | 10.7° | 26.3° |
| C9 | C1 | C2 | H21 | 114.6° | 145.3° |
| C9 | C1 | C2 | H22 | 136.0° | 92.6° |
| C1 | C9 | C8 | C3 | 7.3° | 17.1° |
| C1 | C9 | C8 | C7 | 173.4° | 162.7° |
| C8 | C9 | C1 | C2 | 11.0° | 26.3° |
| C8 | C9 | C1 | H11 | 136.3° | 91.9° |
| C8 | C9 | C1 | H12 | 114.3° | 144.5° |
| C9 | C8 | C3 | C2 | 0.6° | 0.1° |
| C9 | C8 | C3 | C7 | 179.3° | 179.8° |
| C9 | C8 | C3 | C4 | 179.6° | 180.0° |
| C9 | C8 | C7 | C6 | 179.8° | 180.0° |
| C9 | C8 | C7 | H7 | 0.2° | 0.2° |
| H9 | C9 | C1 | C2 | 110.9° | 92.7° |
| H9 | C9 | C1 | H11 | 14.4° | 149.1° |
| H9 | C9 | C1 | H12 | 123.9° | 25.6° |
| H9 | C9 | C8 | C3 | 115.6° | 101.9° |
| H9 | C9 | C8 | C7 | 63.7° | 78.3° |
| C2 | C1 | H11 | H12 | 118.4° | 123.5° |
| C1 | C2 | C3 | H21 | 125.3° | 119.0° |
| C1 | C2 | C3 | H22 | 125.3° | 118.9° |
| C1 | C2 | H21 | H22 | 120.5° | 122.1° |
| C1 | C2 | C3 | C8 | 6.3° | 17.3° |
| C1 | C2 | C3 | C4 | 173.4° | 162.9° |
| H11 | C1 | C2 | C3 | 136.0° | 91.9° |
| H11 | C1 | C2 | H21 | 10.7° | 27.1° |
| H11 | C1 | C2 | H22 | 98.8° | 149.2° |
| H12 | C1 | C2 | C3 | 114.6° | 144.6° |
| H12 | C1 | C2 | H21 | 120.2° | 96.5° |
| H12 | C1 | C2 | H22 | 10.7° | 25.7° |
| C3 | C2 | H21 | H22 | 120.5° | 122.1° |
| C2 | C3 | C8 | C4 | 179.8° | 179.9° |
| C2 | C3 | C8 | C7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C4 | H4 | 0.2° | 0.1° |
| H21 | C2 | C3 | C8 | 118.9° | 136.2° |
| H21 | C2 | C3 | C4 | 61.3° | 43.9° |
| H22 | C2 | C3 | C8 | 131.6° | 101.7° |
| H22 | C2 | C3 | C4 | 48.2° | 78.2° |
| C3 | C8 | C7 | C6 | 0.6° | 0.2° |
| C3 | C8 | C7 | H7 | 179.4° | 179.9° |
| C8 | C3 | C4 | C5 | 0.1° | 0.1° |
| C8 | C3 | C4 | H4 | 179.9° | 180.0° |
| C4 | C3 | C8 | C7 | 0.3° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.8° | 0.1° |
| C8 | C7 | C6 | H6 | 179.1° | 179.9° |
| C7 | C6 | C5 | C4 | 0.7° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.3° | 180.0° |
| H7 | C7 | C6 | C5 | 179.2° | 180.0° |
| H7 | C7 | C6 | H6 | 0.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 180.0° |
| H4 | C4 | C5 | C6 | 179.7° | 180.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| H5 | C5 | C6 | H6 | 0.7° | 0.0° |
