RAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C11 | sing | 1.47Å | 1.29Å | |
| N10 | C9 | sing | 1.47Å | 1.45Å | |
| N10 | H10 | sing | 1.01Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.31Å | 1.29Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | C1 | sing | 1.54Å | 1.54Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C8 | doub | 1.38Å | 1.37Å | 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 | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C13 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C9 | 119.7° | 111.0° |
| C11 | N10 | H10 | 106.8° | 111.0° |
| N10 | C11 | C12 | 120.1° | 109.5° |
| N10 | C11 | H111 | 106.7° | 109.5° |
| N10 | C11 | H112 | 106.7° | 109.5° |
| C9 | N10 | H10 | 106.9° | 111.0° |
| N10 | C9 | C1 | 112.3° | 110.3° |
| N10 | C9 | C8 | 110.7° | 110.3° |
| N10 | C9 | H9 | 110.9° | 110.3° |
| C12 | C11 | H111 | 106.8° | 109.5° |
| C12 | C11 | H112 | 106.8° | 109.5° |
| C11 | C12 | C13 | 124.2° | 120.0° |
| C11 | C12 | H24 | 117.9° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C12 | H24 | 117.9° | 119.9° |
| C12 | C13 | H23 | 120.0° | 120.0° |
| H13 | C13 | H23 | 120.0° | 120.0° |
| C1 | C9 | C8 | 102.7° | 105.2° |
| C1 | C9 | H9 | 109.7° | 110.3° |
| C9 | C1 | C2 | 107.4° | 102.4° |
| C9 | C1 | H11 | 110.0° | 110.8° |
| C9 | C1 | H12 | 110.0° | 110.8° |
| C8 | C9 | H9 | 110.2° | 110.4° |
| C9 | C8 | C3 | 112.1° | 109.8° |
| C9 | C8 | C7 | 126.7° | 130.4° |
| C2 | C1 | H11 | 110.0° | 110.8° |
| C2 | C1 | H12 | 110.0° | 110.8° |
| C1 | C2 | C3 | 102.9° | 105.2° |
| C1 | C2 | H21 | 111.1° | 110.3° |
| C1 | C2 | H22 | 111.1° | 110.3° |
| H11 | C1 | H12 | 109.5° | 110.9° |
| C3 | C2 | H21 | 111.1° | 110.3° |
| C3 | C2 | H22 | 111.1° | 110.3° |
| C2 | C3 | C8 | 111.9° | 109.8° |
| C2 | C3 | C4 | 126.4° | 130.4° |
| H21 | C2 | H22 | 109.5° | 110.4° |
| C8 | C3 | C4 | 121.7° | 119.9° |
| C3 | C8 | C7 | 121.2° | 119.8° |
| C3 | C4 | C5 | 117.8° | 120.2° |
| C3 | C4 | H4 | 121.1° | 119.9° |
| C8 | C7 | C6 | 118.0° | 120.2° |
| C8 | C7 | H7 | 121.0° | 119.9° |
| C6 | C7 | H7 | 121.0° | 119.9° |
| C7 | C6 | C5 | 120.7° | 120.0° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C5 | C4 | H4 | 121.1° | 119.9° |
| C4 | C5 | C6 | 120.6° | 119.9° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C6 | C5 | H5 | 119.7° | 120.1° |
| C5 | C6 | H6 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C9 | H10 | 121.4° | 124.0° |
| N10 | C11 | C12 | H111 | 121.5° | 120.0° |
| N10 | C11 | C12 | H112 | 121.5° | 120.0° |
| N10 | C11 | H111 | H112 | 115.2° | 120.0° |
| N10 | C11 | C12 | C13 | 169.7° | 125.0° |
| C11 | N10 | C9 | C1 | 117.8° | 155.0° |
| C11 | N10 | C9 | C8 | 128.0° | 89.3° |
| C11 | N10 | C9 | H9 | 5.3° | 32.9° |
| N10 | C11 | C12 | H24 | 10.3° | 55.0° |
| C9 | N10 | C11 | C12 | 179.4° | 180.0° |
| C9 | N10 | C11 | H111 | 57.8° | 60.0° |
| C9 | N10 | C11 | H112 | 59.1° | 60.0° |
| N10 | C9 | C1 | C8 | 119.0° | 118.9° |
| N10 | C9 | C1 | H9 | 123.8° | 122.1° |
| N10 | C9 | C8 | H9 | 123.1° | 122.1° |
| N10 | C9 | C1 | C2 | 135.9° | 145.3° |
| N10 | C9 | C1 | H11 | 16.3° | 27.0° |
| N10 | C9 | C1 | H12 | 104.4° | 96.5° |
| N10 | C9 | C8 | C3 | 131.4° | 136.1° |
| N10 | C9 | C8 | C7 | 49.5° | 43.8° |
| H10 | N10 | C11 | C12 | 57.9° | 56.0° |
| H10 | N10 | C11 | H111 | 63.6° | 63.9° |
| H10 | N10 | C11 | H112 | 179.4° | 176.0° |
| H10 | N10 | C9 | C1 | 120.7° | 81.0° |
| H10 | N10 | C9 | C8 | 6.6° | 34.8° |
| H10 | N10 | C9 | H9 | 116.2° | 156.9° |
| C12 | C11 | H111 | H112 | 115.2° | 120.0° |
| C11 | C12 | C13 | H24 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 0.0° |
| C11 | C12 | C13 | H23 | 0.0° | 180.0° |
| H111 | C11 | C12 | C13 | 68.8° | 5.0° |
| H111 | C11 | C12 | H24 | 111.2° | 175.0° |
| H112 | C11 | C12 | C13 | 48.2° | 115.0° |
| H112 | C11 | C12 | H24 | 131.8° | 65.1° |
| C12 | C13 | H13 | H23 | 180.0° | 180.0° |
| H13 | C13 | C12 | H24 | 0.0° | 180.0° |
| C1 | C9 | C8 | H9 | 116.8° | 119.0° |
| C9 | C1 | C2 | H11 | 119.7° | 118.2° |
| C9 | C1 | C2 | H12 | 119.6° | 118.2° |
| C9 | C1 | H11 | H12 | 120.9° | 123.5° |
| C9 | C1 | C2 | C3 | 16.5° | 26.3° |
| C9 | C1 | C2 | H21 | 135.4° | 145.3° |
| C9 | C1 | C2 | H22 | 102.4° | 92.5° |
| C1 | C9 | C8 | C3 | 11.3° | 17.2° |
| C1 | C9 | C8 | C7 | 169.6° | 162.7° |
| C8 | C9 | C1 | C2 | 16.9° | 26.3° |
| C8 | C9 | C1 | H11 | 102.7° | 91.9° |
| C8 | C9 | C1 | H12 | 136.6° | 144.6° |
| C9 | C8 | C3 | C2 | 0.9° | 0.0° |
| C9 | C8 | C3 | C7 | 179.2° | 179.9° |
| C9 | C8 | C3 | C4 | 179.4° | 180.0° |
| C9 | C8 | C7 | C6 | 179.2° | 180.0° |
| C9 | C8 | C7 | H7 | 0.8° | 0.1° |
| H9 | C9 | C1 | C2 | 100.3° | 92.7° |
| H9 | C9 | C1 | H11 | 140.1° | 149.1° |
| H9 | C9 | C1 | H12 | 19.4° | 25.5° |
| H9 | C9 | C8 | C3 | 105.5° | 101.8° |
| H9 | C9 | C8 | C7 | 73.6° | 78.3° |
| C2 | C1 | H11 | H12 | 121.0° | 123.5° |
| C1 | C2 | C3 | H21 | 118.9° | 118.9° |
| C1 | C2 | C3 | H22 | 118.9° | 118.8° |
| C1 | C2 | H21 | H22 | 123.0° | 122.1° |
| C1 | C2 | C3 | C8 | 9.9° | 17.2° |
| C1 | C2 | C3 | C4 | 169.8° | 162.8° |
| H11 | C1 | C2 | C3 | 103.2° | 91.9° |
| H11 | C1 | C2 | H21 | 15.8° | 27.0° |
| H11 | C1 | C2 | H22 | 137.9° | 149.2° |
| H12 | C1 | C2 | C3 | 136.1° | 144.5° |
| H12 | C1 | C2 | H21 | 104.9° | 96.5° |
| H12 | C1 | C2 | H22 | 17.2° | 25.7° |
| C3 | C2 | H21 | H22 | 123.1° | 122.2° |
| C2 | C3 | C8 | C4 | 179.7° | 179.9° |
| C2 | C3 | C8 | C7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 179.9° | 179.9° |
| C2 | C3 | C4 | H4 | 0.1° | 0.1° |
| H21 | C2 | C3 | C8 | 128.8° | 136.1° |
| H21 | C2 | C3 | C4 | 50.8° | 43.8° |
| H22 | C2 | C3 | C8 | 109.0° | 101.7° |
| H22 | C2 | C3 | C4 | 71.3° | 78.4° |
| C3 | C8 | C7 | C6 | 0.1° | 0.1° |
| C3 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C3 | C4 | C5 | 0.3° | 0.0° |
| C8 | C3 | C4 | H4 | 179.7° | 180.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| H7 | C7 | C6 | C5 | 179.9° | 180.0° |
| H7 | C7 | C6 | H6 | 0.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H24 | C12 | C13 | H23 | 180.0° | 0.0° |
