1EO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.56Å | 1.54Å | |
| C18 | C17 | sing | 1.55Å | 1.54Å | |
| O23 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.56Å | 1.55Å | |
| C19 | C22 | sing | 1.57Å | 1.55Å | |
| C20 | C21 | sing | 1.57Å | 1.54Å | |
| C17 | C16 | sing | 1.56Å | 1.55Å | |
| C21 | C16 | sing | 1.56Å | 1.54Å | |
| C22 | C16 | sing | 1.57Å | 1.54Å | |
| C16 | C8 | sing | 1.51Å | 1.50Å | |
| C11 | N15 | sing | 1.37Å | 1.39Å | Aromatic |
| C11 | C14 | doub | 1.35Å | 1.35Å | Aromatic |
| C8 | N15 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.32Å | Aromatic |
| N15 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.49Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.44Å | Aromatic |
| C7 | N10 | doub | 1.32Å | 1.31Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.47Å | Aromatic |
| C13 | C12 | doub | 1.37Å | 1.36Å | Aromatic |
| C12 | O24 | sing | 1.36Å | 1.36Å | |
| O24 | C1 | sing | 1.36Å | 1.36Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| F25 | C2 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| O23 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 103.6° | 104.6° |
| C18 | C19 | O23 | 120.1° | 116.0° |
| C18 | C19 | C20 | 109.8° | 104.5° |
| C18 | C19 | C22 | 95.0° | 100.6° |
| C19 | C18 | H11 | 110.9° | 110.4° |
| C19 | C18 | H12 | 110.9° | 110.4° |
| C18 | C17 | C16 | 104.6° | 104.7° |
| C18 | C17 | H9 | 110.7° | 110.4° |
| C18 | C17 | H10 | 110.7° | 110.5° |
| C17 | C18 | H11 | 110.9° | 110.4° |
| C17 | C18 | H12 | 110.9° | 110.4° |
| O23 | C19 | C20 | 117.4° | 115.9° |
| O23 | C19 | C22 | 106.7° | 116.9° |
| C19 | O23 | H19 | 109.5° | 114.0° |
| C20 | C19 | C22 | 103.9° | 100.7° |
| C19 | C20 | C21 | 104.3° | 104.8° |
| C19 | C20 | H13 | 110.7° | 110.4° |
| C19 | C20 | H14 | 110.7° | 110.4° |
| C19 | C22 | C16 | 95.9° | 96.1° |
| C19 | C22 | H17 | 112.7° | 112.0° |
| C19 | C22 | H18 | 112.7° | 112.0° |
| C20 | C21 | C16 | 103.8° | 103.8° |
| C21 | C20 | H13 | 110.8° | 110.6° |
| C21 | C20 | H14 | 110.8° | 110.1° |
| C20 | C21 | H15 | 110.9° | 110.4° |
| C20 | C21 | H16 | 110.9° | 110.4° |
| C17 | C16 | C21 | 109.0° | 104.5° |
| C17 | C16 | C22 | 95.6° | 100.6° |
| C17 | C16 | C8 | 113.1° | 115.9° |
| C16 | C17 | H9 | 110.7° | 110.4° |
| C16 | C17 | H10 | 110.7° | 110.4° |
| C21 | C16 | C22 | 104.1° | 101.4° |
| C21 | C16 | C8 | 117.8° | 115.9° |
| C16 | C21 | H15 | 110.9° | 111.2° |
| C16 | C21 | H16 | 110.9° | 110.5° |
| C22 | C16 | C8 | 114.7° | 116.2° |
| C16 | C22 | H17 | 112.8° | 112.0° |
| C16 | C22 | H18 | 112.7° | 112.0° |
| C16 | C8 | N15 | 126.3° | 126.2° |
| C16 | C8 | N9 | 124.6° | 126.3° |
| N15 | C11 | C14 | 121.6° | 120.5° |
| C11 | N15 | C8 | 131.8° | 133.6° |
| C11 | N15 | C7 | 121.1° | 120.5° |
| N15 | C11 | H6 | 119.2° | 119.7° |
| C11 | C14 | C13 | 119.4° | 120.5° |
| C14 | C11 | H6 | 119.2° | 119.8° |
| C11 | C14 | H8 | 120.3° | 119.7° |
| N15 | C8 | N9 | 109.0° | 107.5° |
| C8 | N15 | C7 | 107.1° | 105.9° |
| C8 | N9 | N10 | 107.5° | 110.2° |
| N15 | C7 | N10 | 109.9° | 106.9° |
| N15 | C7 | C12 | 119.2° | 119.7° |
| C14 | C13 | C12 | 118.9° | 119.7° |
| C14 | C13 | H7 | 120.6° | 120.2° |
| C13 | C14 | H8 | 120.3° | 119.8° |
| N9 | N10 | C7 | 106.5° | 109.5° |
| N10 | C7 | C12 | 130.8° | 133.4° |
| C7 | C12 | C13 | 119.7° | 119.1° |
| C7 | C12 | O24 | 116.5° | 120.5° |
| C13 | C12 | O24 | 123.8° | 120.4° |
| C12 | C13 | H7 | 120.6° | 120.1° |
| C12 | O24 | C1 | 121.1° | 118.0° |
| O24 | C1 | C6 | 121.5° | 120.1° |
| O24 | C1 | C2 | 116.6° | 120.1° |
| C6 | C1 | C2 | 122.0° | 119.8° |
| C1 | C6 | C5 | 118.0° | 120.0° |
| C1 | C6 | H4 | 121.0° | 120.0° |
| C1 | C2 | F25 | 117.3° | 120.0° |
| C1 | C2 | C3 | 120.7° | 119.9° |
| F25 | C2 | C3 | 122.0° | 120.1° |
| C6 | C5 | C4 | 119.9° | 120.1° |
| C6 | C5 | H3 | 120.0° | 119.9° |
| C5 | C6 | H4 | 121.0° | 120.0° |
| C2 | C3 | C4 | 118.2° | 120.1° |
| C2 | C3 | H1 | 120.9° | 120.0° |
| C5 | C4 | C3 | 121.2° | 120.1° |
| C5 | C4 | H2 | 119.4° | 119.9° |
| C4 | C5 | H3 | 120.0° | 119.9° |
| C4 | C3 | H1 | 120.9° | 119.9° |
| C3 | C4 | H2 | 119.4° | 120.0° |
| H9 | C17 | H10 | 109.4° | 110.3° |
| H11 | C18 | H12 | 109.5° | 110.5° |
| H13 | C20 | H14 | 109.5° | 110.5° |
| H15 | C21 | H16 | 109.5° | 110.4° |
| H17 | C22 | H18 | 109.5° | 111.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H11 | 119.0° | 118.8° |
| C19 | C18 | C17 | H12 | 119.1° | 118.8° |
| C18 | C19 | O23 | C20 | 137.8° | 123.1° |
| C18 | C19 | O23 | C22 | 106.2° | 118.5° |
| C18 | C19 | C20 | C22 | 100.6° | 104.1° |
| C18 | C19 | C20 | C21 | 70.8° | 70.0° |
| C19 | C18 | C17 | C16 | 3.3° | 0.0° |
| C18 | C19 | C22 | C16 | 63.2° | 53.6° |
| C19 | C18 | C17 | H9 | 115.9° | 118.8° |
| C19 | C18 | C17 | H10 | 122.6° | 118.8° |
| C19 | C18 | H11 | H12 | 122.7° | 122.4° |
| C18 | C19 | C20 | H13 | 170.1° | 170.9° |
| C18 | C19 | C20 | H14 | 48.4° | 48.5° |
| C18 | C19 | C22 | H17 | 54.6° | 170.3° |
| C18 | C19 | C22 | H18 | 179.2° | 63.2° |
| C18 | C19 | O23 | H19 | 180.0° | 61.0° |
| C17 | C18 | C19 | O23 | 152.8° | 160.9° |
| C17 | C18 | C19 | C20 | 66.5° | 70.3° |
| C17 | C18 | C19 | C22 | 40.2° | 33.8° |
| C18 | C17 | C16 | H9 | 119.2° | 118.8° |
| C18 | C17 | C16 | H10 | 119.2° | 118.9° |
| C18 | C17 | C16 | C21 | 72.1° | 71.1° |
| C18 | C17 | C16 | C22 | 35.0° | 33.8° |
| C18 | C17 | C16 | C8 | 154.9° | 160.0° |
| C18 | C17 | H9 | H10 | 122.3° | 122.5° |
| C17 | C18 | H11 | H12 | 122.7° | 122.4° |
| O23 | C19 | C20 | C22 | 117.5° | 127.0° |
| O23 | C19 | C20 | C21 | 147.4° | 161.1° |
| O23 | C19 | C22 | C16 | 173.4° | 180.0° |
| O23 | C19 | C18 | H11 | 88.1° | 42.1° |
| O23 | C19 | C18 | H12 | 33.7° | 80.4° |
| O23 | C19 | C20 | H13 | 28.2° | 42.0° |
| O23 | C19 | C20 | H14 | 93.4° | 80.4° |
| O23 | C19 | C22 | H17 | 68.9° | 63.2° |
| O23 | C19 | C22 | H18 | 55.7° | 63.3° |
| C19 | C20 | C21 | H13 | 119.2° | 118.9° |
| C19 | C20 | C21 | H14 | 119.2° | 118.7° |
| C19 | C20 | C21 | C16 | 2.1° | 0.4° |
| C20 | C19 | C22 | C16 | 48.6° | 53.6° |
| C20 | C19 | C18 | H11 | 52.6° | 170.9° |
| C20 | C19 | C18 | H12 | 174.4° | 48.5° |
| C19 | C20 | H13 | H14 | 122.4° | 122.4° |
| C19 | C20 | C21 | H15 | 117.0° | 118.8° |
| C19 | C20 | C21 | H16 | 121.2° | 118.8° |
| C20 | C19 | C22 | H17 | 166.3° | 63.2° |
| C20 | C19 | C22 | H18 | 69.0° | 170.3° |
| C20 | C19 | O23 | H19 | 42.2° | 62.1° |
| C22 | C19 | C20 | C21 | 29.9° | 34.0° |
| C19 | C22 | C16 | C17 | 60.8° | 53.6° |
| C19 | C22 | C16 | C21 | 50.4° | 53.7° |
| C19 | C22 | C16 | H17 | 117.7° | 116.8° |
| C19 | C22 | C16 | H18 | 117.7° | 116.8° |
| C19 | C22 | C16 | C8 | 179.5° | 179.6° |
| C22 | C19 | C18 | H11 | 159.3° | 85.0° |
| C22 | C19 | C18 | H12 | 78.9° | 152.6° |
| C22 | C19 | C20 | H13 | 89.3° | 85.0° |
| C22 | C19 | C20 | H14 | 149.0° | 152.6° |
| C19 | C22 | H17 | H18 | 126.4° | 126.7° |
| C22 | C19 | O23 | H19 | 73.8° | 179.5° |
| C20 | C21 | C16 | C17 | 67.6° | 70.8° |
| C20 | C21 | C16 | H15 | 119.1° | 118.7° |
| C20 | C21 | C16 | H16 | 119.1° | 118.3° |
| C20 | C21 | C16 | C22 | 33.5° | 33.5° |
| C20 | C21 | C16 | C8 | 161.8° | 160.3° |
| C21 | C20 | H13 | H14 | 122.4° | 122.2° |
| C20 | C21 | H15 | H16 | 122.6° | 122.3° |
| C17 | C16 | C21 | C22 | 101.1° | 104.2° |
| C17 | C16 | C21 | C8 | 130.6° | 128.9° |
| C17 | C16 | C22 | C8 | 118.6° | 126.1° |
| C17 | C16 | C8 | N15 | 67.9° | 61.0° |
| C17 | C16 | C8 | N9 | 108.0° | 119.8° |
| C16 | C17 | H9 | H10 | 122.3° | 122.3° |
| C16 | C17 | C18 | H11 | 122.4° | 118.8° |
| C16 | C17 | C18 | H12 | 115.7° | 118.8° |
| C17 | C16 | C21 | H15 | 173.3° | 47.9° |
| C17 | C16 | C21 | H16 | 51.4° | 170.9° |
| C17 | C16 | C22 | H17 | 56.8° | 170.3° |
| C17 | C16 | C22 | H18 | 178.5° | 63.2° |
| C21 | C16 | C22 | C8 | 130.1° | 126.6° |
| C21 | C16 | C8 | N15 | 60.9° | 62.1° |
| C21 | C16 | C8 | N9 | 123.3° | 117.1° |
| C21 | C16 | C17 | H9 | 47.2° | 170.1° |
| C21 | C16 | C17 | H10 | 168.7° | 47.9° |
| C16 | C21 | C20 | H13 | 121.3° | 118.5° |
| C16 | C21 | C20 | H14 | 117.0° | 119.1° |
| C16 | C21 | H15 | H16 | 122.7° | 123.1° |
| C21 | C16 | C22 | H17 | 168.1° | 63.0° |
| C21 | C16 | C22 | H18 | 67.2° | 170.5° |
| C22 | C16 | C8 | N15 | 176.1° | 178.9° |
| C22 | C16 | C8 | N9 | 0.2° | 1.9° |
| C22 | C16 | C17 | H9 | 154.2° | 85.1° |
| C22 | C16 | C17 | H10 | 84.3° | 152.7° |
| C22 | C16 | C21 | H15 | 85.5° | 152.1° |
| C22 | C16 | C21 | H16 | 152.6° | 84.9° |
| C16 | C22 | H17 | H18 | 126.4° | 126.6° |
| C16 | C8 | N15 | C11 | 3.4° | 0.0° |
| C16 | C8 | N15 | N9 | 176.4° | 179.3° |
| C16 | C8 | N15 | C7 | 177.8° | 179.4° |
| C16 | C8 | N9 | N10 | 177.5° | 179.6° |
| C8 | C16 | C17 | H9 | 85.9° | 41.2° |
| C8 | C16 | C17 | H10 | 35.6° | 81.1° |
| C8 | C16 | C21 | H15 | 42.7° | 81.0° |
| C8 | C16 | C21 | H16 | 79.2° | 42.0° |
| C8 | C16 | C22 | H17 | 61.8° | 63.6° |
| C8 | C16 | C22 | H18 | 62.8° | 62.8° |
| N15 | C11 | C14 | H6 | 180.0° | 180.0° |
| C11 | N15 | C8 | C7 | 178.8° | 179.4° |
| C11 | N15 | C8 | N9 | 179.9° | 179.3° |
| N15 | C11 | C14 | C13 | 0.0° | 0.3° |
| C11 | N15 | C7 | N10 | 179.9° | 179.6° |
| C11 | N15 | C7 | C12 | 0.3° | 0.6° |
| N15 | C11 | C14 | H8 | 180.0° | 180.0° |
| C14 | C11 | N15 | C8 | 178.8° | 180.0° |
| C14 | C11 | N15 | C7 | 0.1° | 0.7° |
| C11 | C14 | C13 | H8 | 180.0° | 179.7° |
| C11 | C14 | C13 | C12 | 0.0° | 0.1° |
| C11 | C14 | C13 | H7 | 180.0° | 180.0° |
| N15 | C8 | N9 | N10 | 1.1° | 0.3° |
| C8 | N15 | C7 | N10 | 1.1° | 0.0° |
| C8 | N15 | C7 | C12 | 179.3° | 179.9° |
| C8 | N15 | C11 | H6 | 1.2° | 0.0° |
| N9 | C8 | N15 | C7 | 1.3° | 0.2° |
| C8 | N9 | N10 | C7 | 0.4° | 0.4° |
| N15 | C7 | N10 | N9 | 0.5° | 0.2° |
| N15 | C7 | N10 | C12 | 179.6° | 179.8° |
| N15 | C7 | C12 | C13 | 0.3° | 0.2° |
| N15 | C7 | C12 | O24 | 179.3° | 179.6° |
| C7 | N15 | C11 | H6 | 179.8° | 179.4° |
| C14 | C13 | C12 | C7 | 0.2° | 0.1° |
| C14 | C13 | C12 | H7 | 180.0° | 179.9° |
| C14 | C13 | C12 | O24 | 179.5° | 180.0° |
| C13 | C14 | C11 | H6 | 180.0° | 179.7° |
| N9 | N10 | C7 | C12 | 180.0° | 180.0° |
| N10 | C7 | C12 | C13 | 179.8° | 180.0° |
| N10 | C7 | C12 | O24 | 0.2° | 0.2° |
| C7 | C12 | C13 | O24 | 179.6° | 179.8° |
| C7 | C12 | O24 | C1 | 166.7° | 66.7° |
| C7 | C12 | C13 | H7 | 179.8° | 180.0° |
| C13 | C12 | O24 | C1 | 13.7° | 113.4° |
| C12 | C13 | C14 | H8 | 180.0° | 179.6° |
| C12 | O24 | C1 | C6 | 106.7° | 5.7° |
| C12 | O24 | C1 | C2 | 74.4° | 174.1° |
| O24 | C12 | C13 | H7 | 0.5° | 0.2° |
| O24 | C1 | C6 | C2 | 178.9° | 179.8° |
| O24 | C1 | C2 | F25 | 0.6° | 0.3° |
| O24 | C1 | C6 | C5 | 179.5° | 179.7° |
| O24 | C1 | C2 | C3 | 179.6° | 179.7° |
| O24 | C1 | C6 | H4 | 0.4° | 0.3° |
| C6 | C1 | C2 | F25 | 179.6° | 179.9° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H3 | 179.9° | 180.0° |
| C1 | C2 | F25 | C3 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 179.4° | 179.9° |
| F25 | C2 | C3 | C4 | 179.7° | 179.9° |
| F25 | C2 | C3 | H1 | 0.3° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.9° | 0.0° |
| C6 | C5 | C4 | H2 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | H2 | 179.2° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 179.2° | 180.0° |
| C4 | C5 | C6 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H3 | 179.1° | 180.0° |
| H1 | C3 | C4 | H2 | 0.8° | 0.1° |
| H2 | C4 | C5 | H3 | 0.9° | 0.1° |
| H3 | C5 | C6 | H4 | 0.1° | 0.0° |
| H6 | C11 | C14 | H8 | 0.0° | 0.0° |
| H7 | C13 | C14 | H8 | 0.0° | 0.2° |
| H9 | C17 | C18 | H11 | 3.2° | 0.0° |
| H9 | C17 | C18 | H12 | 125.1° | 122.4° |
| H10 | C17 | C18 | H11 | 118.4° | 122.4° |
| H10 | C17 | C18 | H12 | 3.5° | 0.1° |
| H13 | C20 | C21 | H15 | 2.2° | 122.2° |
| H13 | C20 | C21 | H16 | 119.6° | 0.1° |
| H14 | C20 | C21 | H15 | 123.8° | 0.1° |
| H14 | C20 | C21 | H16 | 2.1° | 122.5° |
