A1H65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | doub | 1.34Å | 1.52Å | |
| C11 | C19 | sing | 1.48Å | 1.53Å | |
| C12 | C13 | sing | 1.48Å | 1.52Å | |
| O20 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | C17 | sing | 1.48Å | 1.53Å | |
| C13 | O14 | doub | 1.21Å | 1.18Å | |
| C13 | C15 | sing | 1.48Å | 1.53Å | |
| C17 | C15 | doub | 1.34Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C03 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C05 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | C04 | 112.0° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.5° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | H25 | 108.8° | 109.4° |
| C02 | C03 | H26 | 108.8° | 109.4° |
| C03 | C04 | C05 | 112.7° | 109.5° |
| C03 | C04 | H6 | 108.7° | 109.5° |
| C03 | C04 | H7 | 108.6° | 109.5° |
| C04 | C03 | H25 | 108.8° | 109.5° |
| C04 | C03 | H26 | 108.9° | 109.5° |
| C04 | C05 | C06 | 111.8° | 109.5° |
| C05 | C04 | H6 | 108.7° | 109.4° |
| C05 | C04 | H7 | 108.7° | 109.5° |
| C04 | C05 | H27 | 108.9° | 109.5° |
| C04 | C05 | H28 | 108.9° | 109.5° |
| C05 | C06 | C07 | 112.9° | 109.5° |
| C05 | C06 | H8 | 108.6° | 109.5° |
| C05 | C06 | H9 | 108.6° | 109.5° |
| C06 | C05 | H27 | 108.9° | 109.5° |
| C06 | C05 | H28 | 108.9° | 109.4° |
| C06 | C07 | C08 | 112.1° | 109.5° |
| C07 | C06 | H8 | 108.6° | 109.5° |
| C07 | C06 | H9 | 108.6° | 109.5° |
| C06 | C07 | H10 | 108.8° | 109.4° |
| C06 | C07 | H11 | 108.8° | 109.4° |
| C07 | C08 | C09 | 113.4° | 109.5° |
| C08 | C07 | H10 | 108.8° | 109.5° |
| C08 | C07 | H11 | 108.8° | 109.5° |
| C07 | C08 | H12 | 108.5° | 109.5° |
| C07 | C08 | H13 | 108.5° | 109.5° |
| C08 | C09 | C10 | 112.5° | 109.5° |
| C09 | C08 | H12 | 108.4° | 109.4° |
| C09 | C08 | H13 | 108.5° | 109.5° |
| C08 | C09 | H14 | 108.7° | 109.5° |
| C08 | C09 | H15 | 108.7° | 109.5° |
| C09 | C10 | C11 | 115.2° | 109.4° |
| C10 | C09 | H14 | 108.7° | 109.5° |
| C10 | C09 | H15 | 108.7° | 109.5° |
| C09 | C10 | H16 | 108.0° | 109.4° |
| C09 | C10 | H17 | 108.1° | 109.5° |
| C10 | C11 | C12 | 119.1° | 120.0° |
| C10 | C11 | C19 | 121.2° | 120.0° |
| C11 | C10 | H16 | 108.0° | 109.5° |
| C11 | C10 | H17 | 108.0° | 109.5° |
| C12 | C11 | C19 | 119.7° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H18 | 119.9° | 120.0° |
| C11 | C19 | O20 | 120.2° | 120.0° |
| C11 | C19 | C17 | 120.2° | 120.0° |
| C12 | C13 | O14 | 119.9° | 120.0° |
| C12 | C13 | C15 | 120.1° | 120.0° |
| C13 | C12 | H18 | 120.0° | 120.0° |
| O20 | C19 | C17 | 119.6° | 120.0° |
| C19 | C17 | C15 | 119.9° | 120.0° |
| C19 | C17 | C18 | 119.7° | 120.0° |
| O14 | C13 | C15 | 119.9° | 120.0° |
| C13 | C15 | C17 | 119.9° | 120.0° |
| C13 | C15 | C16 | 119.6° | 120.0° |
| C15 | C17 | C18 | 120.4° | 120.0° |
| C17 | C15 | C16 | 120.6° | 120.0° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.4° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C15 | C16 | H21 | 109.4° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.4° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.4° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.4° |
| H19 | C16 | H21 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C03 | H26 | 109.5° | 109.5° |
| H27 | C05 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.4° | 120.0° |
| C01 | C02 | C03 | H5 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 174.3° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.7° | 120.0° |
| C01 | C02 | C03 | H25 | 53.9° | 60.0° |
| C01 | C02 | C03 | H26 | 65.3° | 60.0° |
| C02 | C03 | C04 | H25 | 120.4° | 120.0° |
| C02 | C03 | C04 | H26 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 179.4° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 118.7° | 120.0° |
| C02 | C03 | C04 | H6 | 60.1° | 60.0° |
| C02 | C03 | C04 | H7 | 58.9° | 60.0° |
| C02 | C03 | H25 | H26 | 118.8° | 119.9° |
| C03 | C04 | C05 | H6 | 120.5° | 120.0° |
| C03 | C04 | C05 | H7 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 179.6° | 180.0° |
| C04 | C03 | C02 | H4 | 65.3° | 60.0° |
| C04 | C03 | C02 | H5 | 53.9° | 60.0° |
| C03 | C04 | H6 | H7 | 118.5° | 120.0° |
| C04 | C03 | H25 | H26 | 118.9° | 120.1° |
| C03 | C04 | C05 | H27 | 60.1° | 60.0° |
| C03 | C04 | C05 | H28 | 59.2° | 60.0° |
| C04 | C05 | C06 | H27 | 120.4° | 120.0° |
| C04 | C05 | C06 | H28 | 120.4° | 120.0° |
| C04 | C05 | C06 | C07 | 174.0° | 180.0° |
| C05 | C04 | H6 | H7 | 118.5° | 120.0° |
| C04 | C05 | C06 | H8 | 53.5° | 60.0° |
| C04 | C05 | C06 | H9 | 65.5° | 59.9° |
| C05 | C04 | C03 | H25 | 59.0° | 60.0° |
| C05 | C04 | C03 | H26 | 60.3° | 60.0° |
| C04 | C05 | H27 | H28 | 118.9° | 120.0° |
| C05 | C06 | C07 | H8 | 120.5° | 120.0° |
| C05 | C06 | C07 | H9 | 120.5° | 120.0° |
| C05 | C06 | C07 | C08 | 178.2° | 180.0° |
| C06 | C05 | C04 | H6 | 59.1° | 60.0° |
| C06 | C05 | C04 | H7 | 59.9° | 60.0° |
| C05 | C06 | H8 | H9 | 118.4° | 120.0° |
| C05 | C06 | C07 | H10 | 61.5° | 60.0° |
| C05 | C06 | C07 | H11 | 57.8° | 60.0° |
| C06 | C05 | H27 | H28 | 119.0° | 120.0° |
| C06 | C07 | C08 | H10 | 120.4° | 120.0° |
| C06 | C07 | C08 | H11 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 116.6° | 180.0° |
| C07 | C06 | H8 | H9 | 118.4° | 120.0° |
| C06 | C07 | H10 | H11 | 118.8° | 119.9° |
| C06 | C07 | C08 | H12 | 4.0° | 60.0° |
| C06 | C07 | C08 | H13 | 122.9° | 60.0° |
| C07 | C06 | C05 | H27 | 65.6° | 60.0° |
| C07 | C06 | C05 | H28 | 53.7° | 60.0° |
| C07 | C08 | C09 | H12 | 120.6° | 120.0° |
| C07 | C08 | C09 | H13 | 120.6° | 120.1° |
| C07 | C08 | C09 | C10 | 55.4° | 180.0° |
| C08 | C07 | C06 | H8 | 57.6° | 59.9° |
| C08 | C07 | C06 | H9 | 61.3° | 60.0° |
| C08 | C07 | H10 | H11 | 118.8° | 120.1° |
| C07 | C08 | H12 | H13 | 118.2° | 120.0° |
| C07 | C08 | C09 | H14 | 175.9° | 60.0° |
| C07 | C08 | C09 | H15 | 65.0° | 60.0° |
| C08 | C09 | C10 | H14 | 120.4° | 120.0° |
| C08 | C09 | C10 | H15 | 120.5° | 120.0° |
| C08 | C09 | C10 | C11 | 135.8° | 180.0° |
| C09 | C08 | C07 | H10 | 123.0° | 60.0° |
| C09 | C08 | C07 | H11 | 3.8° | 60.0° |
| C09 | C08 | H12 | H13 | 118.2° | 120.0° |
| C08 | C09 | H14 | H15 | 118.6° | 120.0° |
| C08 | C09 | C10 | H16 | 103.4° | 60.0° |
| C08 | C09 | C10 | H17 | 14.9° | 60.0° |
| C09 | C10 | C11 | H16 | 120.8° | 120.0° |
| C09 | C10 | C11 | H17 | 120.9° | 120.0° |
| C09 | C10 | C11 | C12 | 132.5° | 95.0° |
| C09 | C10 | C11 | C19 | 48.7° | 85.2° |
| C10 | C09 | C08 | H12 | 65.2° | 60.0° |
| C10 | C09 | C08 | H13 | 176.0° | 60.0° |
| C10 | C09 | H14 | H15 | 118.6° | 120.0° |
| C09 | C10 | H16 | H17 | 117.4° | 120.0° |
| C10 | C11 | C12 | C19 | 178.9° | 179.8° |
| C10 | C11 | C12 | C13 | 179.3° | 180.0° |
| C10 | C11 | C19 | O20 | 0.9° | 0.1° |
| C10 | C11 | C19 | C17 | 179.4° | 179.8° |
| C11 | C10 | C09 | H14 | 15.3° | 60.0° |
| C11 | C10 | C09 | H15 | 103.8° | 60.0° |
| C11 | C10 | H16 | H17 | 117.4° | 120.0° |
| C10 | C11 | C12 | H18 | 0.6° | 0.1° |
| C11 | C12 | C13 | H18 | 180.0° | 180.0° |
| C12 | C11 | C19 | O20 | 179.7° | 179.7° |
| C12 | C11 | C19 | C17 | 0.6° | 0.4° |
| C11 | C12 | C13 | O14 | 179.7° | 180.0° |
| C11 | C12 | C13 | C15 | 0.1° | 0.0° |
| C12 | C11 | C10 | H16 | 11.6° | 24.9° |
| C12 | C11 | C10 | H17 | 106.7° | 145.0° |
| C19 | C11 | C12 | C13 | 0.5° | 0.2° |
| C11 | C19 | O20 | C17 | 179.7° | 179.9° |
| C11 | C19 | C17 | C15 | 0.4° | 0.4° |
| C11 | C19 | C17 | C18 | 179.7° | 179.8° |
| C19 | C11 | C10 | H16 | 169.5° | 154.8° |
| C19 | C11 | C10 | H17 | 72.2° | 34.7° |
| C19 | C11 | C12 | H18 | 179.5° | 179.8° |
| C12 | C13 | O14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C15 | C17 | 0.2° | 0.0° |
| C12 | C13 | C15 | C16 | 179.9° | 180.0° |
| O20 | C19 | C17 | C15 | 180.0° | 179.7° |
| O20 | C19 | C17 | C18 | 0.0° | 0.1° |
| C19 | C17 | C15 | C13 | 0.0° | 0.2° |
| C19 | C17 | C15 | C18 | 180.0° | 179.8° |
| C19 | C17 | C15 | C16 | 180.0° | 179.8° |
| C19 | C17 | C18 | H22 | 180.0° | 89.8° |
| C19 | C17 | C18 | H23 | 60.0° | 30.3° |
| C19 | C17 | C18 | H24 | 60.0° | 150.2° |
| O14 | C13 | C15 | C17 | 180.0° | 180.0° |
| O14 | C13 | C15 | C16 | 0.1° | 0.0° |
| O14 | C13 | C12 | H18 | 0.3° | 0.0° |
| C13 | C15 | C17 | C16 | 179.9° | 180.0° |
| C13 | C15 | C17 | C18 | 179.9° | 180.0° |
| C15 | C13 | C12 | H18 | 179.9° | 180.0° |
| C13 | C15 | C16 | H19 | 180.0° | 0.0° |
| C13 | C15 | C16 | H20 | 60.0° | 120.0° |
| C13 | C15 | C16 | H21 | 60.0° | 120.0° |
| C17 | C15 | C16 | H19 | 0.1° | 180.0° |
| C17 | C15 | C16 | H20 | 120.1° | 60.0° |
| C17 | C15 | C16 | H21 | 119.9° | 60.0° |
| C15 | C17 | C18 | H22 | 0.0° | 90.0° |
| C15 | C17 | C18 | H23 | 120.0° | 150.0° |
| C15 | C17 | C18 | H24 | 120.0° | 30.0° |
| C18 | C17 | C15 | C16 | 0.0° | 0.0° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H24 | 120.0° | 120.0° |
| C17 | C18 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | H19 | H20 | 120.0° | 120.0° |
| C15 | C16 | H19 | H21 | 120.0° | 120.1° |
| C15 | C16 | H20 | H21 | 120.0° | 120.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.5° | 60.1° |
| H1 | C01 | C02 | H5 | 59.6° | 180.0° |
| H2 | C01 | C02 | H4 | 60.4° | 180.0° |
| H2 | C01 | C02 | H5 | 179.6° | 60.0° |
| H3 | C01 | C02 | H4 | 179.6° | 60.0° |
| H3 | C01 | C02 | H5 | 60.4° | 60.0° |
| H4 | C02 | C03 | H25 | 174.4° | 180.0° |
| H4 | C02 | C03 | H26 | 55.1° | 60.0° |
| H5 | C02 | C03 | H25 | 66.5° | 60.0° |
| H5 | C02 | C03 | H26 | 174.3° | 180.0° |
| H6 | C04 | C03 | H25 | 179.5° | NaN° |
| H6 | C04 | C03 | H26 | 60.2° | 59.9° |
| H6 | C04 | C05 | H27 | 179.4° | 180.0° |
| H6 | C04 | C05 | H28 | 61.3° | 60.0° |
| H7 | C04 | C03 | H25 | 61.5° | 60.0° |
| H7 | C04 | C03 | H26 | 179.2° | 180.0° |
| H7 | C04 | C05 | H27 | 60.4° | 60.0° |
| H7 | C04 | C05 | H28 | 179.7° | 180.0° |
| H8 | C06 | C07 | H10 | 178.0° | 60.1° |
| H8 | C06 | C07 | H11 | 62.7° | 180.0° |
| H8 | C06 | C05 | H27 | 173.8° | 60.1° |
| H8 | C06 | C05 | H28 | 66.9° | 180.0° |
| H9 | C06 | C07 | H10 | 59.1° | 180.0° |
| H9 | C06 | C07 | H11 | 178.3° | 60.1° |
| H9 | C06 | C05 | H27 | 54.9° | 180.0° |
| H9 | C06 | C05 | H28 | 174.2° | 60.0° |
| H10 | C07 | C08 | H12 | 116.4° | 180.0° |
| H10 | C07 | C08 | H13 | 2.5° | 60.0° |
| H11 | C07 | C08 | H12 | 124.4° | 60.0° |
| H11 | C07 | C08 | H13 | 116.7° | 180.0° |
| H12 | C08 | C09 | H14 | 55.3° | 180.0° |
| H12 | C08 | C09 | H15 | 174.4° | 60.0° |
| H13 | C08 | C09 | H14 | 63.5° | 60.0° |
| H13 | C08 | C09 | H15 | 55.6° | 180.0° |
| H14 | C09 | C10 | H16 | 136.2° | 180.0° |
| H14 | C09 | C10 | H17 | 105.5° | 60.0° |
| H15 | C09 | C10 | H16 | 17.1° | 60.0° |
| H15 | C09 | C10 | H17 | 135.4° | 180.0° |
| H19 | C16 | H20 | H21 | 120.0° | 119.9° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
