RSA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | trip | 1.17Å | 1.28Å | |
| C13 | H13 | sing | 1.05Å | 1.09Å | |
| C12 | C11 | sing | 1.47Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.28Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N10 | C9 | sing | 1.47Å | 1.44Å | |
| N10 | H10 | sing | 1.01Å | 1.02Å | |
| C9 | C1 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C8 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 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° | 180.0° |
| C13 | C12 | C11 | 120.8° | 180.0° |
| C12 | C11 | N10 | 120.6° | 109.5° |
| C12 | C11 | H111 | 108.2° | 109.5° |
| C12 | C11 | H112 | 108.2° | 109.5° |
| N10 | C11 | H111 | 108.2° | 109.4° |
| N10 | C11 | H112 | 108.2° | 109.5° |
| C11 | N10 | C9 | 118.9° | 106.7° |
| C11 | N10 | H10 | 108.8° | 106.7° |
| H111 | C11 | H112 | 101.8° | 109.4° |
| C9 | N10 | H10 | 108.8° | 106.7° |
| N10 | C9 | C1 | 120.8° | 110.3° |
| N10 | C9 | C8 | 108.7° | 110.4° |
| N10 | C9 | H9 | 100.3° | 110.3° |
| C1 | C9 | C8 | 103.6° | 105.1° |
| C1 | C9 | H9 | 105.7° | 110.2° |
| C9 | C1 | C2 | 108.2° | 102.4° |
| C9 | C1 | H11 | 112.7° | 110.8° |
| C9 | C1 | H12 | 112.7° | 110.9° |
| C8 | C9 | H9 | 118.6° | 110.4° |
| C9 | C8 | C3 | 112.0° | 109.9° |
| C9 | C8 | C7 | 126.4° | 130.3° |
| C2 | C1 | H11 | 112.7° | 110.8° |
| C2 | C1 | H12 | 112.7° | 110.8° |
| C1 | C2 | C3 | 102.8° | 105.2° |
| C1 | C2 | H21 | 114.8° | 110.3° |
| C1 | C2 | H22 | 114.7° | 110.3° |
| H11 | C1 | H12 | 97.7° | 110.9° |
| C3 | C2 | H21 | 114.7° | 110.3° |
| C3 | C2 | H22 | 114.7° | 110.3° |
| C2 | C3 | C8 | 112.7° | 109.7° |
| C2 | C3 | C4 | 126.1° | 130.4° |
| H21 | C2 | H22 | 95.7° | 110.3° |
| C8 | C3 | C4 | 121.2° | 119.9° |
| C3 | C8 | C7 | 121.6° | 119.8° |
| C3 | C4 | C5 | 118.1° | 120.2° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| C8 | C7 | C6 | 118.0° | 120.2° |
| C8 | C7 | H7 | 120.8° | 119.9° |
| C6 | C7 | H7 | 121.2° | 119.9° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C5 | C4 | H4 | 121.1° | 119.8° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | N10 | 159.1° | 30.4° |
| C13 | C12 | C11 | H111 | 33.8° | 89.6° |
| C13 | C12 | C11 | H112 | 75.7° | 150.5° |
| H13 | C13 | C12 | C11 | 117.7° | 128.4° |
| C12 | C11 | N10 | H111 | 125.2° | 120.0° |
| C12 | C11 | N10 | H112 | 125.2° | 120.1° |
| C12 | C11 | H111 | H112 | 113.9° | 120.0° |
| C12 | C11 | N10 | C9 | 179.9° | 180.0° |
| C12 | C11 | N10 | H10 | 54.8° | 66.2° |
| N10 | C11 | H111 | H112 | 113.9° | 120.0° |
| C11 | N10 | C9 | H10 | 125.3° | 113.8° |
| C11 | N10 | C9 | C1 | 113.6° | 150.0° |
| C11 | N10 | C9 | C8 | 127.0° | 94.3° |
| C11 | N10 | C9 | H9 | 1.9° | 28.0° |
| H111 | C11 | N10 | C9 | 54.7° | 60.0° |
| H111 | C11 | N10 | H10 | 180.0° | 53.8° |
| H112 | C11 | N10 | C9 | 54.8° | 59.9° |
| H112 | C11 | N10 | H10 | 70.5° | 173.7° |
| N10 | C9 | C1 | C8 | 121.9° | 119.0° |
| N10 | C9 | C1 | H9 | 112.7° | 122.0° |
| N10 | C9 | C8 | H9 | 113.6° | 122.2° |
| N10 | C9 | C1 | C2 | 129.2° | 92.7° |
| N10 | C9 | C1 | H11 | 3.9° | 149.2° |
| N10 | C9 | C1 | H12 | 105.5° | 25.6° |
| N10 | C9 | C8 | C3 | 134.2° | 101.7° |
| N10 | C9 | C8 | C7 | 45.7° | 78.2° |
| H10 | N10 | C9 | C1 | 121.1° | 36.2° |
| H10 | N10 | C9 | C8 | 1.7° | 151.9° |
| H10 | N10 | C9 | H9 | 123.4° | 85.8° |
| C1 | C9 | C8 | H9 | 116.7° | 118.9° |
| C9 | C1 | C2 | H11 | 125.3° | 118.2° |
| C9 | C1 | C2 | H12 | 125.3° | 118.3° |
| C9 | C1 | H11 | H12 | 118.6° | 123.6° |
| C9 | C1 | C2 | C3 | 7.3° | 26.3° |
| C9 | C1 | C2 | H21 | 132.6° | 145.3° |
| C9 | C1 | C2 | H22 | 118.0° | 92.6° |
| C1 | C9 | C8 | C3 | 4.5° | 17.2° |
| C1 | C9 | C8 | C7 | 175.5° | 162.9° |
| C8 | C9 | C1 | C2 | 7.3° | 26.3° |
| C8 | C9 | C1 | H11 | 118.0° | 91.8° |
| C8 | C9 | C1 | H12 | 132.5° | 144.6° |
| C9 | C8 | C3 | C2 | 0.2° | 0.0° |
| C9 | C8 | C3 | C7 | 179.9° | 179.9° |
| C9 | C8 | C3 | C4 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 179.9° | 179.9° |
| C9 | C8 | C7 | H7 | 0.1° | 0.1° |
| H9 | C9 | C1 | C2 | 118.1° | 145.3° |
| H9 | C9 | C1 | H11 | 116.6° | 27.2° |
| H9 | C9 | C1 | H12 | 7.1° | 96.4° |
| H9 | C9 | C8 | C3 | 112.2° | 136.1° |
| H9 | C9 | C8 | C7 | 67.8° | 44.0° |
| C2 | C1 | H11 | H12 | 118.6° | 123.5° |
| C1 | C2 | C3 | H21 | 125.3° | 118.9° |
| C1 | C2 | C3 | H22 | 125.2° | 118.9° |
| C1 | C2 | H21 | H22 | 120.6° | 122.1° |
| C1 | C2 | C3 | C8 | 4.8° | 17.2° |
| C1 | C2 | C3 | C4 | 175.7° | 162.8° |
| H11 | C1 | C2 | C3 | 118.0° | 91.9° |
| H11 | C1 | C2 | H21 | 7.3° | 27.1° |
| H11 | C1 | C2 | H22 | 116.8° | 149.2° |
| H12 | C1 | C2 | C3 | 132.6° | 144.6° |
| H12 | C1 | C2 | H21 | 102.1° | 96.5° |
| H12 | C1 | C2 | H22 | 7.3° | 25.7° |
| C3 | C2 | H21 | H22 | 120.6° | 122.1° |
| C2 | C3 | C8 | C4 | 179.6° | 180.0° |
| C2 | C3 | C8 | C7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 179.8° | 179.9° |
| C2 | C3 | C4 | H4 | 0.2° | 0.0° |
| H21 | C2 | C3 | C8 | 130.0° | 136.1° |
| H21 | C2 | C3 | C4 | 50.4° | 43.9° |
| H22 | C2 | C3 | C8 | 120.5° | 101.7° |
| H22 | C2 | C3 | C4 | 59.1° | 78.2° |
| C3 | C8 | C7 | C6 | 0.2° | 0.0° |
| C3 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C3 | C4 | C5 | 0.2° | 0.1° |
| C8 | C3 | C4 | H4 | 179.8° | 180.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| H7 | C7 | C6 | C5 | 179.9° | 180.0° |
| H7 | C7 | C6 | H6 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 179.9° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
