7DF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C2 | sing | 1.53Å | 1.54Å | |
| C14 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.55Å | 1.56Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C1 | C8 | sing | 1.54Å | 1.56Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | C12 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| O4 | C13 | doub | 1.21Å | 1.25Å | |
| O3 | C12 | sing | 1.45Å | 1.46Å | |
| O3 | C11 | sing | 1.36Å | 1.38Å | |
| C4 | C8 | sing | 1.55Å | 1.56Å | |
| C4 | C9 | sing | 1.52Å | 1.55Å | |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C11 | C9 | sing | 1.51Å | 1.42Å | |
| C8 | C7 | sing | 1.54Å | 1.55Å | |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| C9 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | O5 | sing | 1.34Å | 1.25Å | |
| O1 | C10 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C2 | C14 | 108.1° | 110.6° |
| C15 | C2 | C3 | 110.4° | 110.5° |
| C15 | C2 | C1 | 109.0° | 110.5° |
| C2 | C15 | H9 | 109.5° | 109.5° |
| C2 | C15 | H10 | 109.5° | 109.4° |
| C2 | C15 | H11 | 109.4° | 109.5° |
| C14 | C2 | C3 | 113.7° | 110.5° |
| C14 | C2 | C1 | 114.0° | 110.4° |
| C2 | C14 | H12 | 109.5° | 109.5° |
| C2 | C14 | H13 | 109.5° | 109.4° |
| C2 | C14 | H14 | 109.5° | 109.5° |
| C3 | C2 | C1 | 101.6° | 104.3° |
| C2 | C3 | C4 | 105.3° | 103.0° |
| C2 | C3 | H3 | 110.5° | 110.7° |
| C2 | C3 | H4 | 110.5° | 110.7° |
| C2 | C1 | C8 | 106.9° | 106.9° |
| C2 | C1 | H1 | 110.1° | 110.0° |
| C2 | C1 | H2 | 110.1° | 110.0° |
| C3 | C4 | C5 | 115.9° | 111.6° |
| C3 | C4 | C8 | 105.7° | 105.2° |
| C3 | C4 | C9 | 107.8° | 112.7° |
| C4 | C3 | H3 | 110.5° | 110.7° |
| C4 | C3 | H4 | 110.5° | 110.7° |
| C1 | C8 | C4 | 105.5° | 106.0° |
| C1 | C8 | C7 | 111.8° | 109.6° |
| C8 | C1 | H1 | 110.1° | 110.0° |
| C8 | C1 | H2 | 110.1° | 110.0° |
| C1 | C8 | H19 | 111.3° | 111.3° |
| C4 | C5 | C12 | 111.4° | 113.5° |
| C4 | C5 | C6 | 100.9° | 104.1° |
| C5 | C4 | C8 | 103.7° | 104.6° |
| C5 | C4 | C9 | 109.2° | 112.8° |
| C4 | C5 | H5 | 111.7° | 109.2° |
| C12 | C5 | C6 | 108.6° | 112.2° |
| C5 | C12 | O3 | 113.7° | 111.8° |
| C12 | C5 | H5 | 111.8° | 109.2° |
| C5 | C12 | H15 | 108.4° | 109.0° |
| C5 | C12 | H16 | 108.4° | 108.9° |
| C5 | C6 | C7 | 99.5° | 103.8° |
| C5 | C6 | C13 | 115.0° | 110.6° |
| C6 | C5 | H5 | 111.9° | 108.4° |
| C5 | C6 | H6 | 110.3° | 110.6° |
| O4 | C13 | C6 | 118.1° | 120.0° |
| O4 | C13 | O5 | 124.8° | 120.0° |
| C12 | O3 | C11 | 117.7° | 114.5° |
| O3 | C12 | H15 | 108.4° | 109.0° |
| O3 | C12 | H16 | 108.4° | 108.9° |
| O3 | C11 | O2 | 122.8° | 122.2° |
| O3 | C11 | C9 | 116.6° | 115.6° |
| C8 | C4 | C9 | 114.7° | 109.4° |
| C4 | C8 | C7 | 105.2° | 106.4° |
| C4 | C8 | H19 | 111.3° | 111.4° |
| C4 | C9 | C11 | 109.9° | 115.0° |
| C4 | C9 | O1 | 120.8° | 118.7° |
| C4 | C9 | C10 | 122.1° | 118.7° |
| O2 | C11 | C9 | 120.4° | 122.2° |
| C11 | C9 | O1 | 116.5° | 117.4° |
| C11 | C9 | C10 | 119.9° | 117.5° |
| C8 | C7 | C6 | 100.2° | 106.7° |
| C8 | C7 | H17 | 111.7° | 110.0° |
| C8 | C7 | H18 | 111.7° | 110.0° |
| C7 | C8 | H19 | 111.4° | 111.9° |
| C7 | C6 | C13 | 110.7° | 110.5° |
| C7 | C6 | H6 | 110.6° | 110.7° |
| C6 | C7 | H17 | 111.7° | 110.0° |
| C6 | C7 | H18 | 111.7° | 110.0° |
| O1 | C9 | C10 | 59.5° | 57.8° |
| C9 | O1 | C10 | 63.1° | 64.6° |
| C9 | C10 | O1 | 57.5° | 57.6° |
| C9 | C10 | H7 | 120.4° | 117.8° |
| C9 | C10 | H8 | 120.4° | 117.8° |
| C6 | C13 | O5 | 117.1° | 120.0° |
| C13 | C6 | H6 | 110.3° | 110.5° |
| C13 | O5 | H20 | 109.5° | 117.0° |
| O1 | C10 | H7 | 120.4° | 117.8° |
| O1 | C10 | H8 | 120.4° | 117.8° |
| H1 | C1 | H2 | 109.5° | 110.0° |
| H3 | C3 | H4 | 109.4° | 110.8° |
| H7 | C10 | H8 | 109.5° | 115.7° |
| H9 | C15 | H10 | 109.4° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.0° |
| H17 | C7 | H18 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C2 | C14 | C3 | 122.9° | 122.6° |
| C15 | C2 | C14 | C1 | 121.3° | 122.6° |
| C15 | C2 | C3 | C1 | 115.4° | 118.7° |
| C15 | C2 | C3 | C4 | 153.1° | 155.7° |
| C15 | C2 | C1 | C8 | 153.0° | 142.5° |
| C15 | C2 | C1 | H1 | 33.4° | 23.1° |
| C15 | C2 | C1 | H2 | 87.4° | 98.2° |
| C15 | C2 | C3 | H3 | 87.6° | 85.9° |
| C15 | C2 | C3 | H4 | 33.7° | 37.3° |
| C2 | C15 | H9 | H10 | 120.0° | 120.0° |
| C2 | C15 | H9 | H11 | 120.0° | 120.0° |
| C2 | C15 | H10 | H11 | 120.0° | 120.0° |
| C15 | C2 | C14 | H12 | 180.0° | 151.9° |
| C15 | C2 | C14 | H13 | 60.0° | 31.8° |
| C15 | C2 | C14 | H14 | 60.0° | 88.1° |
| C14 | C2 | C3 | C1 | 122.9° | 118.7° |
| C14 | C2 | C3 | C4 | 85.3° | 81.6° |
| C14 | C2 | C1 | C8 | 86.2° | 94.9° |
| C14 | C2 | C1 | H1 | 154.2° | 145.7° |
| C14 | C2 | C1 | H2 | 33.4° | 24.4° |
| C14 | C2 | C3 | H3 | 34.1° | 36.8° |
| C14 | C2 | C3 | H4 | 155.4° | 160.0° |
| C14 | C2 | C15 | H9 | 180.0° | 62.6° |
| C14 | C2 | C15 | H10 | 60.0° | 57.4° |
| C14 | C2 | C15 | H11 | 60.0° | 177.4° |
| C2 | C14 | H12 | H13 | 120.0° | 120.0° |
| C2 | C14 | H12 | H14 | 120.0° | 120.0° |
| C2 | C14 | H13 | H14 | 120.0° | 119.9° |
| C2 | C3 | C4 | H3 | 119.4° | 118.3° |
| C2 | C3 | C4 | H4 | 119.4° | 118.4° |
| C3 | C2 | C1 | C8 | 36.5° | 23.8° |
| C2 | C3 | C4 | C5 | 89.1° | 76.5° |
| C2 | C3 | C4 | C8 | 25.2° | 36.4° |
| C2 | C3 | C4 | C9 | 148.3° | 155.5° |
| C3 | C2 | C1 | H1 | 83.1° | 95.6° |
| C3 | C2 | C1 | H2 | 156.1° | 143.1° |
| C2 | C3 | H3 | H4 | 122.0° | 123.2° |
| C3 | C2 | C15 | H9 | 55.1° | 60.0° |
| C3 | C2 | C15 | H10 | 64.9° | 180.0° |
| C3 | C2 | C15 | H11 | 175.1° | 60.0° |
| C3 | C2 | C14 | H12 | 57.1° | 85.5° |
| C3 | C2 | C14 | H13 | 177.1° | 154.4° |
| C3 | C2 | C14 | H14 | 62.9° | 34.5° |
| C1 | C2 | C3 | C4 | 37.6° | 37.0° |
| C2 | C1 | C8 | H1 | 119.6° | 119.3° |
| C2 | C1 | C8 | H2 | 119.6° | 119.4° |
| C2 | C1 | C8 | C4 | 21.5° | 1.4° |
| C2 | C1 | C8 | C7 | 92.4° | 113.0° |
| C2 | C1 | H1 | H2 | 121.2° | 121.3° |
| C1 | C2 | C3 | H3 | 157.0° | 155.4° |
| C1 | C2 | C3 | H4 | 81.7° | 81.4° |
| C1 | C2 | C15 | H9 | 55.7° | 174.9° |
| C1 | C2 | C15 | H10 | 175.6° | 65.1° |
| C1 | C2 | C15 | H11 | 64.4° | 54.9° |
| C1 | C2 | C14 | H12 | 58.7° | 29.3° |
| C1 | C2 | C14 | H13 | 61.3° | 90.7° |
| C1 | C2 | C14 | H14 | 178.7° | 149.3° |
| C2 | C1 | C8 | H19 | 142.3° | 122.7° |
| C3 | C4 | C8 | C1 | 2.4° | 21.9° |
| C3 | C4 | C5 | C8 | 115.4° | 113.3° |
| C3 | C4 | C5 | C9 | 121.9° | 128.0° |
| C3 | C4 | C5 | C12 | 99.2° | 88.4° |
| C3 | C4 | C5 | C6 | 145.6° | 149.3° |
| C3 | C4 | C8 | C9 | 118.6° | 121.3° |
| C3 | C4 | C9 | C11 | 64.4° | 92.6° |
| C3 | C4 | C8 | C7 | 120.8° | 138.5° |
| C3 | C4 | C9 | O1 | 75.8° | 53.8° |
| C3 | C4 | C9 | C10 | 146.9° | 120.6° |
| C4 | C3 | H3 | H4 | 121.9° | 123.3° |
| C3 | C4 | C5 | H5 | 26.5° | 33.7° |
| C3 | C4 | C8 | H19 | 118.4° | 99.4° |
| C1 | C8 | C4 | C5 | 119.9° | 95.9° |
| C1 | C8 | C4 | C7 | 118.4° | 116.7° |
| C1 | C8 | C4 | H19 | 120.8° | 121.2° |
| C1 | C8 | C4 | C9 | 121.1° | 143.1° |
| C1 | C8 | C7 | H19 | 125.2° | 124.0° |
| C1 | C8 | C7 | C6 | 147.3° | 116.5° |
| C8 | C1 | H1 | H2 | 121.2° | 121.3° |
| C1 | C8 | C7 | H17 | 94.2° | 2.8° |
| C1 | C8 | C7 | H18 | 28.8° | 124.2° |
| C4 | C5 | C12 | C6 | 110.3° | 117.7° |
| C4 | C5 | C12 | H5 | 125.7° | 122.1° |
| C4 | C5 | C6 | H5 | 118.9° | 116.1° |
| C4 | C5 | C12 | O3 | 28.4° | 49.7° |
| C5 | C4 | C8 | C9 | 119.0° | 121.0° |
| C5 | C4 | C9 | C11 | 62.2° | 34.9° |
| C5 | C4 | C8 | C7 | 1.6° | 20.8° |
| C4 | C5 | C6 | C7 | 51.7° | 37.4° |
| C5 | C4 | C9 | O1 | 157.5° | 178.7° |
| C5 | C4 | C9 | C10 | 86.5° | 111.9° |
| C4 | C5 | C6 | C13 | 170.1° | 155.9° |
| C5 | C4 | C3 | H3 | 30.3° | 41.9° |
| C5 | C4 | C3 | H4 | 151.6° | 165.2° |
| C4 | C5 | C6 | H6 | 64.5° | 81.4° |
| C4 | C5 | C12 | H15 | 92.2° | 170.3° |
| C4 | C5 | C12 | H16 | 149.1° | 70.8° |
| C5 | C4 | C8 | H19 | 119.2° | 142.9° |
| C12 | C5 | C6 | H5 | 123.8° | 120.7° |
| C5 | C12 | O3 | H15 | 120.6° | 120.6° |
| C5 | C12 | O3 | H16 | 120.6° | 120.5° |
| C5 | C12 | O3 | C11 | 48.5° | 57.3° |
| C12 | C5 | C4 | C8 | 145.4° | 158.3° |
| C12 | C5 | C4 | C9 | 22.7° | 39.6° |
| C12 | C5 | C6 | C7 | 169.0° | 160.5° |
| C12 | C5 | C6 | C13 | 72.7° | 80.9° |
| C12 | C5 | C6 | H6 | 52.7° | 41.8° |
| C5 | C12 | H15 | H16 | 118.1° | 118.8° |
| C5 | C6 | C13 | O4 | 30.8° | 0.0° |
| C6 | C5 | C12 | O3 | 138.7° | 68.0° |
| C6 | C5 | C4 | C8 | 30.3° | 36.0° |
| C6 | C5 | C4 | C9 | 92.4° | 82.7° |
| C5 | C6 | C7 | C8 | 52.3° | 24.3° |
| C5 | C6 | C7 | C13 | 121.4° | 118.6° |
| C5 | C6 | C7 | H6 | 116.0° | 118.6° |
| C5 | C6 | C13 | H6 | 125.4° | 122.7° |
| C5 | C6 | C13 | O5 | 150.8° | 180.0° |
| C6 | C5 | C12 | H15 | 18.1° | 52.6° |
| C6 | C5 | C12 | H16 | 100.6° | 171.5° |
| C5 | C6 | C7 | H17 | 170.8° | 95.0° |
| C5 | C6 | C7 | H18 | 66.1° | 143.6° |
| O4 | C13 | C6 | C7 | 81.0° | 114.4° |
| O4 | C13 | C6 | O5 | 178.4° | 180.0° |
| O4 | C13 | C6 | H6 | 156.3° | 122.7° |
| O4 | C13 | O5 | H20 | 0.0° | 0.0° |
| C12 | O3 | C11 | O2 | 177.9° | 126.5° |
| C12 | O3 | C11 | C9 | 8.2° | 53.6° |
| O3 | C12 | C5 | H5 | 97.3° | 171.8° |
| O3 | C12 | H15 | H16 | 118.1° | 118.8° |
| O3 | C11 | C9 | C4 | 47.5° | 42.4° |
| O3 | C11 | O2 | C9 | 173.7° | 179.9° |
| O3 | C11 | C9 | O1 | 170.4° | 170.7° |
| O3 | C11 | C9 | C10 | 101.9° | 104.7° |
| C11 | O3 | C12 | H15 | 72.2° | 178.0° |
| C11 | O3 | C12 | H16 | 169.1° | 63.1° |
| C8 | C4 | C9 | C11 | 178.1° | 150.8° |
| C4 | C8 | C7 | H19 | 120.7° | 121.8° |
| C4 | C8 | C7 | C6 | 33.3° | 2.3° |
| C8 | C4 | C9 | O1 | 41.7° | 62.8° |
| C8 | C4 | C9 | C10 | 29.4° | 4.0° |
| C4 | C8 | C1 | H1 | 98.1° | 117.9° |
| C4 | C8 | C1 | H2 | 141.1° | 120.8° |
| C8 | C4 | C3 | H3 | 144.5° | 154.7° |
| C8 | C4 | C3 | H4 | 94.2° | 82.0° |
| C8 | C4 | C5 | H5 | 88.8° | 79.6° |
| C4 | C8 | C7 | H17 | 151.8° | 117.0° |
| C4 | C8 | C7 | H18 | 85.2° | 121.6° |
| C4 | C9 | C11 | O2 | 126.6° | 137.6° |
| C4 | C9 | C11 | O1 | 142.1° | 146.9° |
| C4 | C9 | C11 | C10 | 149.5° | 147.2° |
| C9 | C4 | C8 | C7 | 120.6° | 100.2° |
| C4 | C9 | O1 | C10 | 111.5° | 107.6° |
| C9 | C4 | C3 | H3 | 92.4° | 86.2° |
| C9 | C4 | C3 | H4 | 28.9° | 37.1° |
| C9 | C4 | C5 | H5 | 148.5° | 161.7° |
| C4 | C9 | C10 | H7 | 0.5° | 0.7° |
| C4 | C9 | C10 | H8 | 141.9° | 145.6° |
| C9 | C4 | C8 | H19 | 0.2° | 21.9° |
| O2 | C11 | C9 | O1 | 15.5° | 9.3° |
| O2 | C11 | C9 | C10 | 84.0° | 75.2° |
| C11 | C9 | O1 | C10 | 110.7° | 106.8° |
| C11 | C9 | C10 | H7 | 146.2° | 146.7° |
| C11 | C9 | C10 | H8 | 3.8° | 0.3° |
| C8 | C7 | C6 | H17 | 118.5° | 119.3° |
| C8 | C7 | C6 | H18 | 118.5° | 119.3° |
| C8 | C7 | C6 | C13 | 173.7° | 142.9° |
| C7 | C8 | C1 | H1 | 148.0° | 127.6° |
| C7 | C8 | C1 | H2 | 27.2° | 6.3° |
| C8 | C7 | C6 | H6 | 63.7° | 94.3° |
| C8 | C7 | H17 | H18 | 124.3° | 121.4° |
| C7 | C6 | C13 | H6 | 122.8° | 122.9° |
| C7 | C6 | C13 | O5 | 97.4° | 65.6° |
| C7 | C6 | C5 | H5 | 67.2° | 78.8° |
| C6 | C7 | H17 | H18 | 124.3° | 121.3° |
| C6 | C7 | C8 | H19 | 87.5° | 119.5° |
| O1 | C9 | C10 | H7 | 108.8° | 106.8° |
| O1 | C9 | C10 | H8 | 108.8° | 106.8° |
| C9 | C10 | H7 | H8 | 146.1° | 147.0° |
| C13 | C6 | C5 | H5 | 51.1° | 39.8° |
| C13 | C6 | C7 | H17 | 67.8° | 23.6° |
| C13 | C6 | C7 | H18 | 55.3° | 97.8° |
| C6 | C13 | O5 | H20 | 178.4° | 180.0° |
| O5 | C13 | C6 | H6 | 25.3° | 57.3° |
| O1 | C10 | H7 | H8 | 146.1° | 147.0° |
| H1 | C1 | C8 | H19 | 22.7° | 3.3° |
| H2 | C1 | C8 | H19 | 98.1° | 118.0° |
| H5 | C5 | C6 | H6 | 176.6° | 162.5° |
| H5 | C5 | C12 | H15 | 142.1° | 67.6° |
| H5 | C5 | C12 | H16 | 23.3° | 51.3° |
| H6 | C6 | C7 | H17 | 54.8° | 146.3° |
| H6 | C6 | C7 | H18 | 177.8° | 25.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C14 | H13 | H14 | 120.0° | 120.0° |
| H17 | C7 | C8 | H19 | 31.0° | 121.2° |
| H18 | C7 | C8 | H19 | 154.0° | 0.2° |
