A1IW0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C1 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.31Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.31Å | 1.54Å | |
| C12 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C7 | sing | 1.51Å | 1.53Å | |
| C4 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C1 | 121.8° | 120.0° |
| C16 | C15 | C14 | 117.4° | 120.0° |
| C15 | C16 | H25 | 109.5° | 109.4° |
| C15 | C16 | H26 | 109.5° | 109.4° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C1 | C15 | C14 | 120.7° | 120.0° |
| C15 | C1 | C2 | 115.8° | 109.4° |
| C15 | C1 | H23 | 107.8° | 109.5° |
| C15 | C1 | H24 | 107.9° | 109.5° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C15 | C14 | H28 | 119.8° | 120.0° |
| C1 | C2 | C3 | 111.9° | 109.5° |
| C1 | C2 | H21 | 108.8° | 109.5° |
| C1 | C2 | H22 | 108.9° | 109.5° |
| C2 | C1 | H23 | 107.9° | 109.5° |
| C2 | C1 | H24 | 107.9° | 109.4° |
| C14 | C13 | H9 | 109.5° | 109.5° |
| C14 | C13 | H10 | 109.5° | 109.4° |
| C14 | C13 | H11 | 109.5° | 109.4° |
| C13 | C14 | H28 | 119.8° | 120.0° |
| C11 | C10 | C12 | 109.6° | 109.5° |
| C11 | C10 | C9 | 113.3° | 109.5° |
| C11 | C10 | H8 | 105.9° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H20 | 120.0° | 120.0° |
| C3 | C2 | H21 | 108.9° | 109.5° |
| C3 | C2 | H22 | 108.9° | 109.4° |
| C3 | C4 | C7 | 122.2° | 120.0° |
| C3 | C4 | C6 | 120.0° | 120.0° |
| C4 | C3 | H20 | 120.0° | 119.9° |
| C12 | C10 | C9 | 115.4° | 109.5° |
| C12 | C10 | H8 | 105.8° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C10 | C12 | H13 | 109.5° | 109.5° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| C10 | C9 | C8 | 113.6° | 109.5° |
| C9 | C10 | H8 | 106.0° | 109.5° |
| C10 | C9 | H18 | 108.4° | 109.5° |
| C10 | C9 | H19 | 108.5° | 109.5° |
| C9 | C8 | C7 | 108.9° | 109.5° |
| C9 | C8 | H6 | 109.6° | 109.5° |
| C9 | C8 | H7 | 109.6° | 109.5° |
| C8 | C9 | H18 | 108.5° | 109.5° |
| C8 | C9 | H19 | 108.4° | 109.5° |
| C8 | C7 | C4 | 109.7° | 109.5° |
| C8 | C7 | H4 | 109.4° | 109.4° |
| C8 | C7 | H5 | 109.4° | 109.4° |
| C7 | C8 | H6 | 109.6° | 109.5° |
| C7 | C8 | H7 | 109.6° | 109.5° |
| C7 | C4 | C6 | 117.7° | 120.0° |
| C4 | C7 | H4 | 109.4° | 109.5° |
| C4 | C7 | H5 | 109.4° | 109.5° |
| C4 | C6 | H1 | 109.5° | 109.4° |
| C4 | C6 | H2 | 109.5° | 109.5° |
| C4 | C6 | H3 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H1 | C6 | H3 | 109.4° | 109.4° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H9 | C13 | H11 | 109.4° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H12 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.4° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.4° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.5° |
| H25 | C16 | H27 | 109.4° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C1 | C14 | 179.4° | 179.9° |
| C16 | C15 | C1 | C2 | 123.3° | 85.0° |
| C16 | C15 | C14 | C13 | 176.4° | NaN° |
| C16 | C15 | C1 | H23 | 2.4° | 35.0° |
| C16 | C15 | C1 | H24 | 115.7° | 155.0° |
| C15 | C16 | H25 | H26 | 120.0° | 119.9° |
| C15 | C16 | H25 | H27 | 120.0° | 120.0° |
| C15 | C16 | H26 | H27 | 120.0° | 120.0° |
| C16 | C15 | C14 | H28 | 3.6° | 0.1° |
| C15 | C1 | C2 | H23 | 120.9° | 120.0° |
| C15 | C1 | C2 | H24 | 120.9° | 120.0° |
| C1 | C15 | C14 | C13 | 3.0° | 0.1° |
| C15 | C1 | C2 | C3 | 1.4° | 180.0° |
| C15 | C1 | C2 | H21 | 121.8° | 60.0° |
| C15 | C1 | C2 | H22 | 118.9° | 60.0° |
| C15 | C1 | H23 | H24 | 117.1° | 120.0° |
| C1 | C15 | C16 | H25 | 180.0° | 90.1° |
| C1 | C15 | C16 | H26 | 60.0° | 150.0° |
| C1 | C15 | C16 | H27 | 60.0° | 29.9° |
| C1 | C15 | C14 | H28 | 177.1° | 180.0° |
| C14 | C15 | C1 | C2 | 57.3° | 95.1° |
| C15 | C14 | C13 | H28 | 180.0° | 179.9° |
| C15 | C14 | C13 | H9 | 180.0° | 59.9° |
| C15 | C14 | C13 | H10 | 60.0° | 60.1° |
| C15 | C14 | C13 | H11 | 60.0° | 180.0° |
| C14 | C15 | C1 | H23 | 178.2° | 145.0° |
| C14 | C15 | C1 | H24 | 63.6° | 24.9° |
| C14 | C15 | C16 | H25 | 0.6° | 90.0° |
| C14 | C15 | C16 | H26 | 119.4° | 29.9° |
| C14 | C15 | C16 | H27 | 120.6° | 150.0° |
| C1 | C2 | C3 | H21 | 120.4° | 120.0° |
| C1 | C2 | C3 | H22 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 128.9° | 125.5° |
| C1 | C2 | C3 | H20 | 51.1° | 54.6° |
| C1 | C2 | H21 | H22 | 118.9° | 120.0° |
| C2 | C1 | H23 | H24 | 117.1° | 120.0° |
| C14 | C13 | H9 | H10 | 120.0° | 120.0° |
| C14 | C13 | H9 | H11 | 120.0° | 120.0° |
| C14 | C13 | H10 | H11 | 120.0° | 120.0° |
| C11 | C10 | C12 | C9 | 129.3° | 120.0° |
| C11 | C10 | C12 | H8 | 113.8° | 120.0° |
| C11 | C10 | C9 | H8 | 115.8° | 120.0° |
| C11 | C10 | C9 | C8 | 1.6° | 65.0° |
| C11 | C10 | C12 | H12 | 180.0° | 60.0° |
| C11 | C10 | C12 | H13 | 60.0° | 60.0° |
| C11 | C10 | C12 | H14 | 60.0° | 179.9° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 120.0° |
| C11 | C10 | C9 | H18 | 122.3° | 175.0° |
| C11 | C10 | C9 | H19 | 119.0° | 55.0° |
| C2 | C3 | C4 | H20 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 177.8° | 174.6° |
| C2 | C3 | C4 | C6 | 4.9° | 5.7° |
| C3 | C2 | H21 | H22 | 118.9° | 120.0° |
| C3 | C2 | C1 | H23 | 119.5° | 60.1° |
| C3 | C2 | C1 | H24 | 122.3° | 60.0° |
| C3 | C4 | C7 | C8 | 43.9° | 95.2° |
| C3 | C4 | C7 | C6 | 177.4° | 179.8° |
| C3 | C4 | C6 | H1 | 180.0° | 174.7° |
| C3 | C4 | C6 | H2 | 60.0° | 65.3° |
| C3 | C4 | C6 | H3 | 60.0° | 54.7° |
| C3 | C4 | C7 | H4 | 163.9° | 144.8° |
| C3 | C4 | C7 | H5 | 76.1° | 24.7° |
| C4 | C3 | C2 | H21 | 110.8° | 114.5° |
| C4 | C3 | C2 | H22 | 8.5° | 5.5° |
| C12 | C10 | C9 | H8 | 116.7° | 120.0° |
| C12 | C10 | C9 | C8 | 125.9° | 175.0° |
| C10 | C12 | H12 | H13 | 120.0° | 120.0° |
| C10 | C12 | H12 | H14 | 120.0° | 120.1° |
| C10 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C10 | C11 | H15 | 180.0° | 60.0° |
| C12 | C10 | C11 | H16 | 60.0° | 60.0° |
| C12 | C10 | C11 | H17 | 60.0° | 180.0° |
| C12 | C10 | C9 | H18 | 5.2° | 55.0° |
| C12 | C10 | C9 | H19 | 113.5° | 65.0° |
| C10 | C9 | C8 | H18 | 120.6° | 120.0° |
| C10 | C9 | C8 | H19 | 120.6° | 120.0° |
| C10 | C9 | C8 | C7 | 173.5° | 180.0° |
| C10 | C9 | C8 | H6 | 66.7° | 60.0° |
| C10 | C9 | C8 | H7 | 53.5° | 59.9° |
| C9 | C10 | C12 | H12 | 50.7° | 60.0° |
| C9 | C10 | C12 | H13 | 69.3° | 180.0° |
| C9 | C10 | C12 | H14 | 170.7° | 60.1° |
| C9 | C10 | C11 | H15 | 49.5° | 180.0° |
| C9 | C10 | C11 | H16 | 169.5° | 60.0° |
| C9 | C10 | C11 | H17 | 70.5° | 60.0° |
| C10 | C9 | H18 | H19 | 118.1° | 120.0° |
| C9 | C8 | C7 | H6 | 119.9° | 120.1° |
| C9 | C8 | C7 | H7 | 119.9° | 120.1° |
| C9 | C8 | C7 | C4 | 90.4° | 180.0° |
| C9 | C8 | C7 | H4 | 29.7° | 60.0° |
| C9 | C8 | C7 | H5 | 149.6° | 60.0° |
| C9 | C8 | H6 | H7 | 120.2° | 120.0° |
| C8 | C9 | C10 | H8 | 117.4° | 55.0° |
| C8 | C9 | H18 | H19 | 118.1° | 120.0° |
| C8 | C7 | C4 | H4 | 120.0° | 120.0° |
| C8 | C7 | C4 | H5 | 120.0° | 120.0° |
| C8 | C7 | C4 | C6 | 138.7° | 85.0° |
| C8 | C7 | H4 | H5 | 119.9° | 119.9° |
| C7 | C8 | H6 | H7 | 120.3° | 119.9° |
| C7 | C8 | C9 | H18 | 52.8° | 60.0° |
| C7 | C8 | C9 | H19 | 65.9° | 60.0° |
| C7 | C4 | C6 | H1 | 2.5° | 5.1° |
| C7 | C4 | C6 | H2 | 117.5° | 114.9° |
| C7 | C4 | C6 | H3 | 122.5° | 125.0° |
| C4 | C7 | H4 | H5 | 119.9° | 120.1° |
| C4 | C7 | C8 | H6 | 149.8° | 59.9° |
| C4 | C7 | C8 | H7 | 29.6° | 60.0° |
| C7 | C4 | C3 | H20 | 2.2° | 5.5° |
| C4 | C6 | H1 | H2 | 120.0° | 120.0° |
| C4 | C6 | H1 | H3 | 120.0° | 120.0° |
| C4 | C6 | H2 | H3 | 120.0° | 120.0° |
| C6 | C4 | C7 | H4 | 18.7° | 35.0° |
| C6 | C4 | C7 | H5 | 101.3° | 155.0° |
| C6 | C4 | C3 | H20 | 175.1° | 174.2° |
| H1 | C6 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | C8 | H6 | 90.2° | 180.0° |
| H4 | C7 | C8 | H7 | 149.6° | 60.1° |
| H5 | C7 | C8 | H6 | 29.7° | 60.1° |
| H5 | C7 | C8 | H7 | 90.5° | 180.0° |
| H6 | C8 | C9 | H18 | 172.7° | 180.0° |
| H6 | C8 | C9 | H19 | 54.0° | 60.0° |
| H7 | C8 | C9 | H18 | 67.1° | 60.0° |
| H7 | C8 | C9 | H19 | 174.2° | 180.0° |
| H8 | C10 | C12 | H12 | 66.2° | 179.9° |
| H8 | C10 | C12 | H13 | 173.8° | 60.0° |
| H8 | C10 | C12 | H14 | 53.8° | 60.0° |
| H8 | C10 | C11 | H15 | 66.3° | 59.9° |
| H8 | C10 | C11 | H16 | 53.7° | 180.0° |
| H8 | C10 | C11 | H17 | 173.7° | 60.0° |
| H8 | C10 | C9 | H18 | 122.0° | 65.0° |
| H8 | C10 | C9 | H19 | 3.2° | 175.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.1° |
| H9 | C13 | C14 | H28 | 0.0° | 120.0° |
| H10 | C13 | C14 | H28 | 120.0° | 120.0° |
| H11 | C13 | C14 | H28 | 120.0° | 0.0° |
| H12 | C12 | H13 | H14 | 120.0° | 120.0° |
| H15 | C11 | H16 | H17 | 120.0° | 120.0° |
| H20 | C3 | C2 | H21 | 69.3° | 65.4° |
| H20 | C3 | C2 | H22 | 171.5° | 174.6° |
| H21 | C2 | C1 | H23 | 0.9° | 60.0° |
| H21 | C2 | C1 | H24 | 117.3° | 180.0° |
| H22 | C2 | C1 | H23 | 120.2° | 180.0° |
| H22 | C2 | C1 | H24 | 2.0° | 60.0° |
| H25 | C16 | H26 | H27 | 120.0° | 120.0° |
