A1EYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C5 | sing | 1.51Å | 1.62Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C4 | sing | 1.51Å | 1.52Å | |
| N1 | C14 | sing | 1.47Å | 1.44Å | |
| N1 | C13 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | doub | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.50Å | 1.52Å | |
| C13 | C7 | sing | 1.50Å | 1.51Å | |
| C4 | C3 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C7 | doub | 1.31Å | 1.30Å | |
| C7 | C6 | sing | 1.48Å | 1.51Å | |
| C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H22 | sing | 1.01Å | 1.00Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 113.8° | 109.6° |
| C10 | C11 | C12 | 127.0° | 108.5° |
| C11 | C10 | H2 | 108.4° | 109.4° |
| C11 | C10 | H3 | 108.4° | 109.4° |
| C10 | C11 | H4 | 105.0° | 109.6° |
| C10 | C11 | H5 | 105.0° | 109.7° |
| C10 | C9 | C8 | 112.4° | 107.9° |
| C9 | C10 | H2 | 108.4° | 109.4° |
| C9 | C10 | H3 | 108.4° | 109.5° |
| C10 | C9 | H20 | 108.8° | 109.7° |
| C10 | C9 | H21 | 108.7° | 109.8° |
| C11 | C12 | C5 | 122.7° | 111.5° |
| C12 | C11 | H4 | 104.9° | 109.6° |
| C12 | C11 | H5 | 104.9° | 109.6° |
| C11 | C12 | H6 | 106.0° | 109.1° |
| C11 | C12 | H7 | 106.0° | 109.1° |
| C12 | C5 | C4 | 116.1° | 123.4° |
| C12 | C5 | C6 | 125.8° | 117.0° |
| C5 | C12 | H6 | 106.1° | 109.1° |
| C5 | C12 | H7 | 106.1° | 109.1° |
| C9 | C8 | C4 | 113.3° | 110.9° |
| C9 | C8 | H18 | 108.5° | 109.2° |
| C9 | C8 | H19 | 108.5° | 109.1° |
| C8 | C9 | H20 | 108.7° | 109.8° |
| C8 | C9 | H21 | 108.7° | 109.8° |
| C8 | C4 | C5 | 115.2° | 122.8° |
| C8 | C4 | C3 | 127.1° | 117.4° |
| C4 | C8 | H18 | 108.5° | 109.2° |
| C4 | C8 | H19 | 108.5° | 109.2° |
| C14 | N1 | C13 | 110.6° | 110.3° |
| N1 | C14 | C15 | 110.2° | 108.5° |
| N1 | C14 | H10 | 109.3° | 109.6° |
| N1 | C14 | H11 | 109.3° | 109.7° |
| C14 | N1 | H22 | 109.2° | 111.0° |
| N1 | C13 | C7 | 110.2° | 110.2° |
| N1 | C13 | H8 | 109.3° | 109.3° |
| N1 | C13 | H9 | 109.3° | 109.2° |
| C13 | N1 | H22 | 109.2° | 111.0° |
| C14 | C15 | C16 | 112.2° | 109.7° |
| C15 | C14 | H10 | 109.3° | 109.7° |
| C15 | C14 | H11 | 109.3° | 109.7° |
| C14 | C15 | H12 | 108.8° | 109.4° |
| C14 | C15 | H13 | 108.8° | 109.4° |
| C4 | C5 | C6 | 118.1° | 119.5° |
| C5 | C4 | C3 | 117.7° | 119.9° |
| C5 | C6 | C7 | 119.7° | 119.8° |
| C5 | C6 | C1 | 124.0° | 120.4° |
| C15 | C16 | C7 | 122.3° | 122.7° |
| C16 | C15 | H12 | 108.8° | 109.4° |
| C16 | C15 | H13 | 108.8° | 109.5° |
| C15 | C16 | H14 | 118.9° | 118.6° |
| C13 | C7 | C16 | 119.8° | 123.1° |
| C13 | C7 | C6 | 122.0° | 118.5° |
| C7 | C13 | H8 | 109.3° | 109.3° |
| C7 | C13 | H9 | 109.3° | 109.3° |
| C4 | C3 | O1 | 116.9° | 119.6° |
| C4 | C3 | C2 | 124.5° | 120.7° |
| C16 | C7 | C6 | 116.0° | 118.5° |
| C7 | C16 | H14 | 118.9° | 118.7° |
| C7 | C6 | C1 | 116.3° | 119.8° |
| C6 | C1 | C2 | 117.8° | 119.7° |
| C6 | C1 | H1 | 121.1° | 120.2° |
| O1 | C3 | C2 | 118.5° | 119.6° |
| C3 | O1 | H24 | 109.5° | 113.9° |
| C3 | C2 | C1 | 117.9° | 119.8° |
| C3 | C2 | H16 | 121.1° | 120.1° |
| C2 | C1 | H1 | 121.1° | 120.2° |
| C1 | C2 | H16 | 121.0° | 120.1° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.8° |
| H6 | C12 | H7 | 109.5° | 109.0° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.7° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.4° | 109.1° |
| H20 | C9 | H21 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H2 | 120.7° | 120.0° |
| C11 | C10 | C9 | H3 | 120.6° | 120.0° |
| C10 | C11 | C12 | H4 | 122.3° | 119.7° |
| C10 | C11 | C12 | H5 | 122.3° | 119.8° |
| C10 | C11 | C12 | C5 | 54.0° | 91.5° |
| C11 | C10 | C9 | C8 | 46.3° | 33.0° |
| C11 | C10 | H2 | H3 | 118.0° | 119.9° |
| C10 | C11 | H4 | H5 | 112.2° | 120.6° |
| C10 | C11 | C12 | H6 | 175.8° | 29.0° |
| C10 | C11 | C12 | H7 | 67.8° | 148.0° |
| C11 | C10 | C9 | H20 | 166.7° | 152.6° |
| C11 | C10 | C9 | H21 | 74.1° | 86.6° |
| C9 | C10 | C11 | C12 | 28.7° | 60.9° |
| C10 | C9 | C8 | H20 | 120.4° | 119.6° |
| C10 | C9 | C8 | H21 | 120.4° | 119.6° |
| C10 | C9 | C8 | C4 | 97.7° | 93.2° |
| C9 | C10 | H2 | H3 | 118.0° | 120.0° |
| C9 | C10 | C11 | H4 | 93.7° | 179.5° |
| C9 | C10 | C11 | H5 | 151.0° | 58.9° |
| C10 | C9 | C8 | H18 | 22.9° | 146.3° |
| C10 | C9 | C8 | H19 | 141.7° | 27.1° |
| C10 | C9 | H20 | H21 | 118.7° | 120.8° |
| C11 | C12 | C5 | H6 | 121.8° | 120.5° |
| C11 | C12 | C5 | H7 | 121.8° | 120.5° |
| C11 | C12 | C5 | C4 | 57.7° | 29.8° |
| C11 | C12 | C5 | C6 | 121.6° | 150.1° |
| C12 | C11 | C10 | H2 | 92.0° | 179.2° |
| C12 | C11 | C10 | H3 | 149.3° | 59.2° |
| C12 | C11 | H4 | H5 | 112.1° | 120.5° |
| C11 | C12 | H6 | H7 | 114.0° | 119.0° |
| C12 | C5 | C4 | C8 | 0.4° | 3.3° |
| C12 | C5 | C4 | C6 | 179.4° | 179.9° |
| C12 | C5 | C4 | C3 | 179.7° | 178.3° |
| C12 | C5 | C6 | C7 | 1.7° | 1.1° |
| C12 | C5 | C6 | C1 | 178.8° | 178.7° |
| C5 | C12 | C11 | H4 | 68.3° | 148.8° |
| C5 | C12 | C11 | H5 | 176.3° | 28.2° |
| C5 | C12 | H6 | H7 | 114.1° | 119.0° |
| C9 | C8 | C4 | H18 | 120.6° | 120.5° |
| C9 | C8 | C4 | H19 | 120.6° | 120.3° |
| C9 | C8 | C4 | C5 | 79.0° | 51.0° |
| C9 | C8 | C4 | C3 | 101.8° | 130.6° |
| C8 | C9 | C10 | H2 | 74.4° | 87.0° |
| C8 | C9 | C10 | H3 | 166.9° | 153.0° |
| C9 | C8 | H18 | H19 | 118.3° | 119.2° |
| C8 | C9 | H20 | H21 | 118.7° | 120.8° |
| C8 | C4 | C5 | C3 | 179.2° | 178.4° |
| C8 | C4 | C5 | C6 | 179.8° | 176.7° |
| C8 | C4 | C3 | O1 | 0.9° | 2.7° |
| C8 | C4 | C3 | C2 | 179.2° | 177.4° |
| C4 | C8 | H18 | H19 | 118.2° | 119.3° |
| C4 | C8 | C9 | H20 | 141.8° | 147.2° |
| C4 | C8 | C9 | H21 | 22.7° | 26.4° |
| C14 | N1 | C13 | H22 | 120.2° | 123.4° |
| N1 | C14 | C15 | H10 | 120.1° | 119.7° |
| N1 | C14 | C15 | H11 | 120.1° | 119.8° |
| N1 | C14 | C15 | C16 | 31.1° | 49.2° |
| C14 | N1 | C13 | C7 | 57.3° | 51.2° |
| C14 | N1 | C13 | H8 | 177.4° | 69.0° |
| C14 | N1 | C13 | H9 | 62.8° | 171.3° |
| N1 | C14 | H10 | H11 | 119.7° | 120.5° |
| N1 | C14 | C15 | H12 | 151.4° | 169.2° |
| N1 | C14 | C15 | H13 | 89.3° | 70.9° |
| C13 | N1 | C14 | C15 | 65.9° | 69.3° |
| N1 | C13 | C7 | H8 | 120.1° | 120.2° |
| N1 | C13 | C7 | H9 | 120.1° | 120.1° |
| N1 | C13 | C7 | C16 | 14.8° | 17.1° |
| N1 | C13 | C7 | C6 | 147.8° | 162.9° |
| N1 | C13 | H8 | H9 | 119.7° | 119.6° |
| C13 | N1 | C14 | H10 | 54.2° | 171.0° |
| C13 | N1 | C14 | H11 | 174.0° | 50.5° |
| C14 | C15 | C16 | H12 | 120.4° | 120.0° |
| C14 | C15 | C16 | H13 | 120.4° | 120.1° |
| C14 | C15 | C16 | C7 | 10.3° | 16.6° |
| C15 | C14 | H10 | H11 | 119.6° | 120.5° |
| C14 | C15 | H12 | H13 | 118.7° | 119.9° |
| C14 | C15 | C16 | H14 | 169.7° | 163.4° |
| C15 | C14 | N1 | H22 | 54.3° | 54.1° |
| C4 | C5 | C6 | C7 | 179.0° | 178.9° |
| C4 | C5 | C6 | C1 | 1.9° | 1.4° |
| C5 | C4 | C3 | O1 | 180.0° | 178.8° |
| C5 | C4 | C3 | C2 | 0.0° | 1.1° |
| C4 | C5 | C12 | H6 | 179.5° | 90.7° |
| C4 | C5 | C12 | H7 | 64.1° | 150.3° |
| C5 | C4 | C8 | H18 | 41.5° | 171.4° |
| C5 | C4 | C8 | H19 | 160.4° | 69.3° |
| C5 | C6 | C7 | C13 | 64.1° | 105.0° |
| C6 | C5 | C4 | C3 | 1.0° | 1.7° |
| C5 | C6 | C7 | C16 | 99.0° | 75.0° |
| C5 | C6 | C7 | C1 | 177.3° | 179.7° |
| C5 | C6 | C1 | C2 | 1.9° | 0.4° |
| C5 | C6 | C1 | H1 | 178.1° | 179.9° |
| C6 | C5 | C12 | H6 | 0.2° | 89.4° |
| C6 | C5 | C12 | H7 | 116.6° | 29.6° |
| C15 | C16 | C7 | C13 | 18.8° | 0.3° |
| C15 | C16 | C7 | H14 | 180.0° | 180.0° |
| C15 | C16 | C7 | C6 | 177.6° | 179.6° |
| C16 | C15 | C14 | H10 | 89.1° | 168.9° |
| C16 | C15 | C14 | H11 | 151.2° | 70.6° |
| C16 | C15 | H12 | H13 | 118.8° | 119.9° |
| C13 | C7 | C16 | C6 | 163.6° | 180.0° |
| C13 | C7 | C6 | C1 | 118.6° | 75.3° |
| C7 | C13 | H8 | H9 | 119.6° | 119.7° |
| C13 | C7 | C16 | H14 | 161.2° | 179.6° |
| C7 | C13 | N1 | H22 | 62.9° | 72.2° |
| C4 | C3 | O1 | C2 | 179.9° | 179.9° |
| C4 | C3 | C2 | C1 | 0.0° | 0.1° |
| C4 | C3 | C2 | H16 | 180.0° | 180.0° |
| C3 | C4 | C8 | H18 | 137.6° | 10.1° |
| C3 | C4 | C8 | H19 | 18.8° | 109.1° |
| C4 | C3 | O1 | H24 | 180.0° | 90.0° |
| C16 | C7 | C6 | C1 | 78.3° | 104.7° |
| C16 | C7 | C13 | H8 | 134.9° | 103.1° |
| C16 | C7 | C13 | H9 | 105.4° | 137.1° |
| C7 | C16 | C15 | H12 | 110.1° | 136.6° |
| C7 | C16 | C15 | H13 | 130.7° | 103.6° |
| C7 | C6 | C1 | C2 | 179.0° | 179.9° |
| C7 | C6 | C1 | H1 | 1.0° | 0.2° |
| C6 | C7 | C13 | H8 | 27.7° | 76.9° |
| C6 | C7 | C13 | H9 | 92.1° | 42.8° |
| C6 | C7 | C16 | H14 | 2.4° | 0.4° |
| C6 | C1 | C2 | C3 | 0.8° | 0.3° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H16 | 179.2° | 179.7° |
| O1 | C3 | C2 | C1 | 179.9° | 179.8° |
| O1 | C3 | C2 | H16 | 0.1° | 0.1° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.2° | 179.5° |
| C2 | C3 | O1 | H24 | 0.1° | 90.1° |
| H1 | C1 | C2 | H16 | 0.9° | 0.6° |
| H2 | C10 | C11 | H4 | 145.7° | 59.5° |
| H2 | C10 | C11 | H5 | 30.3° | 61.1° |
| H2 | C10 | C9 | H20 | 46.1° | 32.6° |
| H2 | C10 | C9 | H21 | 165.2° | 153.4° |
| H3 | C10 | C11 | H4 | 27.0° | 60.5° |
| H3 | C10 | C11 | H5 | 88.4° | 178.9° |
| H3 | C10 | C9 | H20 | 72.6° | 87.4° |
| H3 | C10 | C9 | H21 | 46.5° | 33.5° |
| H4 | C11 | C12 | H6 | 53.5° | 90.7° |
| H4 | C11 | C12 | H7 | 169.8° | 28.3° |
| H5 | C11 | C12 | H6 | 61.9° | 148.8° |
| H5 | C11 | C12 | H7 | 54.5° | 92.2° |
| H8 | C13 | N1 | H22 | 57.3° | 167.6° |
| H9 | C13 | N1 | H22 | 177.0° | 47.9° |
| H10 | C14 | C15 | H12 | 31.3° | 71.1° |
| H10 | C14 | C15 | H13 | 150.5° | 48.8° |
| H10 | C14 | N1 | H22 | 174.4° | 65.6° |
| H11 | C14 | C15 | H12 | 88.4° | 49.4° |
| H11 | C14 | C15 | H13 | 30.8° | 169.2° |
| H11 | C14 | N1 | H22 | 65.8° | 173.9° |
| H12 | C15 | C16 | H14 | 69.9° | 43.4° |
| H13 | C15 | C16 | H14 | 49.3° | 76.5° |
| H18 | C8 | C9 | H20 | 97.6° | 26.8° |
| H18 | C8 | C9 | H21 | 143.3° | 94.1° |
| H19 | C8 | C9 | H20 | 21.3° | 92.5° |
| H19 | C8 | C9 | H21 | 97.9° | 146.7° |
