7AB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C18 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.32Å | 1.36Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.50Å | 1.53Å | |
| C1 | C16 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.42Å | 1.49Å | |
| C7 | C8 | doub | 1.36Å | 1.33Å | |
| C8 | C9 | sing | 1.41Å | 1.49Å | |
| C | C20 | sing | 1.53Å | 1.53Å | |
| C | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.37Å | 1.35Å | |
| C9 | C19 | sing | 1.51Å | 1.51Å | |
| C20 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.40Å | 1.47Å | |
| C13 | C12 | sing | 1.40Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.34Å | |
| C11 | C12 | doub | 1.37Å | 1.32Å | |
| C15 | C14 | sing | 1.40Å | 1.47Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | O1 | doub | 1.22Å | 1.07Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C1 | C2 | 113.2° | 109.2° |
| C17 | C1 | C6 | 109.2° | 109.3° |
| C17 | C1 | C16 | 110.4° | 109.4° |
| C1 | C17 | H21 | 109.5° | 109.5° |
| C1 | C17 | H22 | 109.5° | 109.5° |
| C1 | C17 | H23 | 109.5° | 109.5° |
| C3 | C4 | C5 | 116.7° | 110.1° |
| C4 | C3 | C2 | 113.3° | 108.5° |
| C4 | C3 | H4 | 108.5° | 109.6° |
| C4 | C3 | H5 | 108.5° | 109.8° |
| C3 | C4 | H6 | 107.6° | 109.4° |
| C3 | C4 | H17 | 107.6° | 109.4° |
| C4 | C5 | C18 | 111.1° | 118.2° |
| C4 | C5 | C6 | 125.6° | 123.7° |
| C5 | C4 | H6 | 107.6° | 109.3° |
| C5 | C4 | H17 | 107.6° | 109.4° |
| C3 | C2 | C1 | 115.9° | 108.5° |
| C3 | C2 | H2 | 107.8° | 109.7° |
| C3 | C2 | H3 | 107.9° | 109.8° |
| C2 | C3 | H4 | 108.5° | 109.6° |
| C2 | C3 | H5 | 108.5° | 109.6° |
| C18 | C5 | C6 | 122.4° | 118.1° |
| C5 | C18 | H24 | 109.5° | 109.5° |
| C5 | C18 | H25 | 109.5° | 109.4° |
| C5 | C18 | H26 | 109.5° | 109.5° |
| C5 | C6 | C1 | 115.1° | 123.7° |
| C5 | C6 | C7 | 127.7° | 118.2° |
| C2 | C1 | C6 | 107.7° | 110.1° |
| C2 | C1 | C16 | 103.5° | 109.4° |
| C1 | C2 | H2 | 107.9° | 109.6° |
| C1 | C2 | H3 | 107.9° | 109.6° |
| C6 | C1 | C16 | 112.8° | 109.4° |
| C1 | C6 | C7 | 116.2° | 118.1° |
| C1 | C16 | H18 | 109.5° | 109.4° |
| C1 | C16 | H19 | 109.5° | 109.4° |
| C1 | C16 | H20 | 109.5° | 109.4° |
| C6 | C7 | C8 | 125.5° | 120.0° |
| C6 | C7 | H8 | 117.2° | 120.0° |
| C7 | C8 | C9 | 128.6° | 120.0° |
| C8 | C7 | H8 | 117.3° | 120.0° |
| C7 | C8 | H9 | 115.7° | 120.0° |
| C8 | C9 | C10 | 118.8° | 120.0° |
| C8 | C9 | C19 | 121.9° | 120.0° |
| C9 | C8 | H9 | 115.7° | 120.0° |
| C20 | C | C10 | 117.5° | 110.6° |
| C | C20 | C13 | 118.5° | 110.6° |
| C20 | C | H1 | 107.4° | 109.2° |
| C | C20 | H30 | 107.2° | 109.2° |
| C20 | C | H16 | 107.4° | 109.2° |
| C | C20 | H7 | 107.2° | 109.2° |
| C | C10 | C9 | 121.4° | 119.6° |
| C | C10 | C11 | 117.5° | 120.7° |
| C10 | C | H1 | 107.4° | 109.3° |
| C10 | C | H16 | 107.5° | 109.3° |
| C10 | C9 | C19 | 119.3° | 120.0° |
| C9 | C10 | C11 | 121.1° | 119.7° |
| C9 | C19 | H27 | 109.5° | 109.5° |
| C9 | C19 | H28 | 109.4° | 109.4° |
| C9 | C19 | H29 | 109.5° | 109.4° |
| C20 | C13 | C12 | 118.7° | 120.7° |
| C20 | C13 | C14 | 121.9° | 119.6° |
| C13 | C20 | H30 | 107.2° | 109.3° |
| C13 | C20 | H7 | 107.2° | 109.3° |
| C10 | C11 | C12 | 124.5° | 120.5° |
| C10 | C11 | H11 | 117.8° | 119.7° |
| C12 | C13 | C14 | 119.4° | 119.7° |
| C13 | C12 | C11 | 123.3° | 120.6° |
| C13 | C12 | H12 | 118.4° | 119.7° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C13 | C14 | H13 | 119.8° | 120.0° |
| C12 | C11 | H11 | 117.8° | 119.7° |
| C11 | C12 | H12 | 118.3° | 119.7° |
| C15 | C14 | H13 | 119.7° | 120.0° |
| C14 | C15 | H15 | 124.9° | 119.9° |
| C14 | C15 | O1 | 110.3° | 120.0° |
| H1 | C | H16 | 109.5° | 109.2° |
| H2 | C2 | H3 | 109.4° | 109.6° |
| H4 | C3 | H5 | 109.5° | 109.6° |
| H6 | C4 | H17 | 109.5° | 109.2° |
| H15 | C15 | O1 | 124.8° | 120.1° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.6° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H23 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.4° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.4° | 109.5° |
| H30 | C20 | H7 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C1 | C2 | C3 | 62.1° | 169.9° |
| C17 | C1 | C6 | C5 | 75.8° | 137.2° |
| C17 | C1 | C2 | C6 | 120.8° | 120.1° |
| C17 | C1 | C2 | C16 | 119.5° | 119.7° |
| C17 | C1 | C6 | C16 | 123.1° | 119.8° |
| C17 | C1 | C6 | C7 | 93.2° | 42.8° |
| C17 | C1 | C2 | H2 | 58.8° | 70.3° |
| C17 | C1 | C2 | H3 | 176.9° | 50.0° |
| C17 | C1 | C16 | H18 | 180.0° | 59.8° |
| C17 | C1 | C16 | H19 | 60.0° | 60.2° |
| C17 | C1 | C16 | H20 | 60.0° | 179.7° |
| C1 | C17 | H21 | H22 | 120.0° | 120.1° |
| C1 | C17 | H21 | H23 | 120.0° | 120.0° |
| C1 | C17 | H22 | H23 | 120.0° | 120.0° |
| C3 | C4 | C5 | H6 | 121.0° | 120.2° |
| C3 | C4 | C5 | H17 | 121.0° | 120.3° |
| C4 | C3 | C2 | H4 | 120.6° | 119.7° |
| C4 | C3 | C2 | H5 | 120.6° | 119.9° |
| C3 | C4 | C5 | C18 | 179.9° | 162.8° |
| C3 | C4 | C5 | C6 | 10.5° | 17.2° |
| C4 | C3 | C2 | C1 | 34.6° | 68.2° |
| C4 | C3 | C2 | H2 | 155.5° | 172.1° |
| C4 | C3 | C2 | H3 | 86.4° | 51.6° |
| C4 | C3 | H4 | H5 | 118.2° | 120.6° |
| C3 | C4 | H6 | H17 | 116.7° | 119.7° |
| C5 | C4 | C3 | C2 | 0.3° | 49.8° |
| C4 | C5 | C18 | C6 | 169.8° | 180.0° |
| C4 | C5 | C6 | C1 | 15.4° | 0.4° |
| C4 | C5 | C6 | C7 | 177.1° | 179.6° |
| C5 | C4 | C3 | H4 | 120.9° | 69.8° |
| C5 | C4 | C3 | H5 | 120.3° | 169.6° |
| C5 | C4 | H6 | H17 | 116.7° | 119.6° |
| C4 | C5 | C18 | H24 | 180.0° | 5.1° |
| C4 | C5 | C18 | H25 | 60.0° | 114.8° |
| C4 | C5 | C18 | H26 | 60.0° | 125.2° |
| C3 | C2 | C1 | H2 | 120.9° | 119.8° |
| C3 | C2 | C1 | H3 | 120.9° | 119.9° |
| C3 | C2 | C1 | C6 | 58.7° | 49.9° |
| C3 | C2 | C1 | C16 | 178.3° | 70.4° |
| C3 | C2 | H2 | H3 | 117.1° | 120.6° |
| C2 | C3 | H4 | H5 | 118.3° | 120.4° |
| C2 | C3 | C4 | H6 | 121.3° | 170.0° |
| C2 | C3 | C4 | H17 | 120.7° | 70.4° |
| C18 | C5 | C6 | C1 | 152.9° | 179.5° |
| C18 | C5 | C6 | C7 | 14.6° | 0.4° |
| C18 | C5 | C4 | H6 | 59.1° | 42.6° |
| C5 | C18 | H24 | H25 | 120.0° | 119.9° |
| C5 | C18 | H24 | H26 | 120.0° | 120.1° |
| C5 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C5 | C4 | H17 | 58.8° | 77.0° |
| C5 | C6 | C1 | C2 | 47.6° | 17.2° |
| C5 | C6 | C1 | C7 | 169.0° | 180.0° |
| C5 | C6 | C1 | C16 | 161.1° | 103.0° |
| C5 | C6 | C7 | C8 | 13.8° | 56.4° |
| C6 | C5 | C4 | H6 | 131.5° | 137.4° |
| C5 | C6 | C7 | H8 | 166.2° | 123.6° |
| C6 | C5 | C18 | H24 | 10.2° | 174.8° |
| C6 | C5 | C18 | H25 | 130.2° | 65.2° |
| C6 | C5 | C18 | H26 | 109.8° | 54.7° |
| C6 | C5 | C4 | H17 | 110.6° | 103.1° |
| C2 | C1 | C6 | C16 | 113.6° | 120.2° |
| C2 | C1 | C6 | C7 | 143.5° | 162.8° |
| C1 | C2 | H2 | H3 | 117.1° | 120.3° |
| C1 | C2 | C3 | H4 | 86.0° | 51.5° |
| C1 | C2 | C3 | H5 | 155.2° | 171.8° |
| C2 | C1 | C16 | H18 | 58.5° | 179.4° |
| C2 | C1 | C16 | H19 | 178.5° | 59.4° |
| C2 | C1 | C16 | H20 | 61.5° | 60.7° |
| C2 | C1 | C17 | H21 | 180.0° | 66.0° |
| C2 | C1 | C17 | H22 | 60.0° | 54.1° |
| C2 | C1 | C17 | H23 | 60.0° | 174.1° |
| C1 | C6 | C7 | C8 | 178.8° | 123.6° |
| C6 | C1 | C2 | H2 | 179.6° | 169.6° |
| C6 | C1 | C2 | H3 | 62.2° | 70.0° |
| C1 | C6 | C7 | H8 | 1.2° | 56.4° |
| C6 | C1 | C16 | H18 | 57.6° | 60.0° |
| C6 | C1 | C16 | H19 | 62.4° | 180.0° |
| C6 | C1 | C16 | H20 | 177.6° | 60.0° |
| C6 | C1 | C17 | H21 | 60.0° | 54.6° |
| C6 | C1 | C17 | H22 | 60.0° | 174.6° |
| C6 | C1 | C17 | H23 | 180.0° | 65.4° |
| C16 | C1 | C6 | C7 | 29.9° | 77.0° |
| C16 | C1 | C2 | H2 | 60.7° | 49.4° |
| C16 | C1 | C2 | H3 | 57.4° | 169.7° |
| C1 | C16 | H18 | H19 | 120.0° | 120.0° |
| C1 | C16 | H18 | H20 | 120.0° | 119.9° |
| C1 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | C1 | C17 | H21 | 64.5° | 174.4° |
| C16 | C1 | C17 | H22 | 175.5° | 65.6° |
| C16 | C1 | C17 | H23 | 55.5° | 54.4° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 176.0° | 177.9° |
| C6 | C7 | C8 | H9 | 4.0° | 2.1° |
| C7 | C8 | C9 | H9 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 177.8° | 180.0° |
| C7 | C8 | C9 | C19 | 3.1° | 0.0° |
| C8 | C9 | C10 | C | 0.3° | 0.0° |
| C8 | C9 | C10 | C19 | 179.2° | 180.0° |
| C8 | C9 | C10 | C11 | 179.7° | 180.0° |
| C9 | C8 | C7 | H8 | 4.0° | 2.1° |
| C8 | C9 | C19 | H27 | 180.0° | 90.0° |
| C8 | C9 | C19 | H28 | 60.0° | 150.0° |
| C8 | C9 | C19 | H29 | 60.0° | 30.0° |
| C20 | C | C10 | H1 | 121.1° | 120.2° |
| C20 | C | C10 | H16 | 121.2° | 120.3° |
| C20 | C | C10 | C9 | 179.6° | 146.0° |
| C | C20 | C13 | H30 | 121.3° | 120.3° |
| C | C20 | C13 | H7 | 121.3° | 120.2° |
| C20 | C | C10 | C11 | 0.4° | 34.0° |
| C | C20 | C13 | C12 | 0.6° | 34.1° |
| C | C20 | C13 | C14 | 179.2° | 145.9° |
| C20 | C | H1 | H16 | 116.3° | 119.4° |
| C | C20 | H30 | H7 | 115.9° | 119.4° |
| C | C10 | C9 | C11 | 179.9° | 180.0° |
| C | C10 | C9 | C19 | 179.5° | 180.0° |
| C10 | C | C20 | C13 | 0.7° | 45.3° |
| C | C10 | C11 | C12 | 0.1° | 5.5° |
| C10 | C | H1 | H16 | 116.4° | 119.5° |
| C | C10 | C11 | H11 | 179.9° | 174.5° |
| C10 | C | C20 | H30 | 120.6° | 165.6° |
| C10 | C | C20 | H7 | 122.0° | 75.0° |
| C9 | C10 | C11 | C12 | 180.0° | 174.5° |
| C9 | C10 | C | H1 | 59.2° | 93.8° |
| C10 | C9 | C8 | H9 | 2.2° | 0.0° |
| C9 | C10 | C11 | H11 | 0.1° | 5.5° |
| C10 | C9 | C19 | H27 | 0.8° | 90.0° |
| C10 | C9 | C19 | H28 | 120.9° | 30.0° |
| C10 | C9 | C19 | H29 | 119.2° | 150.0° |
| C9 | C10 | C | H16 | 58.5° | 25.6° |
| C19 | C9 | C10 | C11 | 0.5° | 0.0° |
| C19 | C9 | C8 | H9 | 176.9° | 180.0° |
| C9 | C19 | H27 | H28 | 120.0° | 120.0° |
| C9 | C19 | H27 | H29 | 120.0° | 120.0° |
| C9 | C19 | H28 | H29 | 120.0° | 119.9° |
| C20 | C13 | C12 | C14 | 179.8° | 180.0° |
| C20 | C13 | C12 | C11 | 0.3° | 5.6° |
| C20 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C20 | C | H1 | 120.5° | 75.0° |
| C20 | C13 | C12 | H12 | 179.7° | 174.3° |
| C20 | C13 | C14 | H13 | 179.0° | 180.0° |
| C13 | C20 | H30 | H7 | 115.9° | 119.5° |
| C13 | C20 | C | H16 | 121.9° | 165.6° |
| C10 | C11 | C12 | C13 | 0.0° | 10.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C | H1 | 120.7° | 86.2° |
| C10 | C11 | C12 | H12 | 180.0° | 170.0° |
| C11 | C10 | C | H16 | 121.6° | 154.3° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.2° | 180.0° |
| C13 | C12 | C11 | H11 | 180.0° | 169.9° |
| C12 | C13 | C14 | H13 | 0.8° | 0.0° |
| C12 | C13 | C20 | H30 | 120.7° | 154.3° |
| C12 | C13 | C20 | H7 | 121.9° | 86.2° |
| C14 | C13 | C12 | C11 | 179.6° | 174.4° |
| C13 | C14 | C15 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | H12 | 0.4° | 5.7° |
| C13 | C14 | C15 | H15 | 9.5° | 0.0° |
| C13 | C14 | C15 | O1 | 170.4° | 180.0° |
| C14 | C13 | C20 | H30 | 59.5° | 25.6° |
| C14 | C13 | C20 | H7 | 57.9° | 93.9° |
| C14 | C15 | H15 | O1 | 180.0° | 180.0° |
| H1 | C | C20 | H30 | 118.2° | 45.3° |
| H1 | C | C20 | H7 | 0.8° | 164.7° |
| H2 | C2 | C3 | H4 | 35.0° | 68.2° |
| H2 | C2 | C3 | H5 | 83.9° | 52.1° |
| H3 | C2 | C3 | H4 | 153.1° | 171.3° |
| H3 | C2 | C3 | H5 | 34.2° | 68.4° |
| H4 | C3 | C4 | H6 | 118.1° | 50.3° |
| H4 | C3 | C4 | H17 | 0.1° | 169.9° |
| H5 | C3 | C4 | H6 | 0.8° | 70.2° |
| H5 | C3 | C4 | H17 | 118.7° | 49.4° |
| H8 | C7 | C8 | H9 | 176.0° | 177.9° |
| H11 | C11 | C12 | H12 | 0.0° | 10.0° |
| H13 | C14 | C15 | H15 | 170.4° | 180.0° |
| H13 | C14 | C15 | O1 | 9.6° | 0.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H21 | C17 | H22 | H23 | 120.0° | 119.9° |
| H24 | C18 | H25 | H26 | 120.0° | 120.1° |
| H27 | C19 | H28 | H29 | 120.0° | 120.1° |
| H30 | C20 | C | H16 | 0.6° | 74.1° |
| H16 | C | C20 | H7 | 116.8° | 45.4° |
