A1EJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.46Å | 1.53Å | |
| C9 | C8 | doub | 1.33Å | 1.31Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C10 | O1 | doub | 1.21Å | 1.26Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.9° | 120.0° |
| C9 | C10 | O1 | 110.3° | 120.0° |
| C9 | C10 | H10 | 124.9° | 120.0° |
| C10 | C9 | H19 | 119.6° | 120.0° |
| C9 | C8 | C7 | 120.1° | 120.0° |
| C9 | C8 | H9 | 119.9° | 120.0° |
| C8 | C9 | H19 | 119.6° | 120.0° |
| C8 | C7 | C6 | 111.0° | 109.5° |
| C8 | C7 | H7 | 109.1° | 109.4° |
| C8 | C7 | H8 | 109.1° | 109.5° |
| C7 | C8 | H9 | 120.0° | 119.9° |
| C7 | C6 | C5 | 112.9° | 109.5° |
| C7 | C6 | H5 | 108.6° | 109.5° |
| C7 | C6 | H6 | 108.6° | 109.5° |
| C6 | C7 | H7 | 109.1° | 109.5° |
| C6 | C7 | H8 | 109.1° | 109.5° |
| C6 | C5 | C4 | 112.5° | 109.5° |
| C6 | C5 | H3 | 108.7° | 109.5° |
| C6 | C5 | H4 | 108.7° | 109.5° |
| C5 | C6 | H5 | 108.6° | 109.4° |
| C5 | C6 | H6 | 108.6° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C5 | C4 | H1 | 108.8° | 109.5° |
| C5 | C4 | H2 | 108.8° | 109.4° |
| C4 | C5 | H3 | 108.7° | 109.4° |
| C4 | C5 | H4 | 108.7° | 109.5° |
| C4 | C3 | C2 | 112.0° | 109.5° |
| C3 | C4 | H1 | 108.8° | 109.5° |
| C3 | C4 | H2 | 108.8° | 109.5° |
| C4 | C3 | H17 | 108.9° | 109.4° |
| C4 | C3 | H18 | 108.9° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 108.9° | 109.5° |
| C1 | C2 | H16 | 108.9° | 109.4° |
| C3 | C2 | H15 | 108.9° | 109.5° |
| C3 | C2 | H16 | 108.9° | 109.5° |
| C2 | C3 | H17 | 108.8° | 109.5° |
| C2 | C3 | H18 | 108.8° | 109.5° |
| O1 | C10 | H10 | 124.9° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C2 | H16 | 109.4° | 109.5° |
| H17 | C3 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H19 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.9° | 180.0° |
| C9 | C10 | O1 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | H9 | 0.1° | 0.0° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 169.4° | 125.0° |
| C8 | C9 | C10 | O1 | 125.2° | 180.0° |
| C9 | C8 | C7 | H7 | 49.2° | 5.0° |
| C9 | C8 | C7 | H8 | 70.3° | 115.0° |
| C8 | C9 | C10 | H10 | 54.8° | 0.1° |
| C8 | C7 | C6 | H7 | 120.2° | 120.0° |
| C8 | C7 | C6 | H8 | 120.2° | 120.0° |
| C8 | C7 | C6 | C5 | 109.6° | 180.0° |
| C8 | C7 | C6 | H5 | 11.0° | 60.0° |
| C8 | C7 | C6 | H6 | 129.9° | 60.0° |
| C8 | C7 | H7 | H8 | 119.3° | 120.0° |
| C7 | C8 | C9 | H19 | 0.1° | 0.1° |
| C7 | C6 | C5 | H5 | 120.5° | 120.0° |
| C7 | C6 | C5 | H6 | 120.5° | 120.1° |
| C7 | C6 | C5 | C4 | 97.7° | 180.0° |
| C7 | C6 | C5 | H3 | 22.7° | 60.0° |
| C7 | C6 | C5 | H4 | 141.8° | 60.0° |
| C7 | C6 | H5 | H6 | 118.5° | 120.0° |
| C6 | C7 | H7 | H8 | 119.3° | 120.0° |
| C6 | C7 | C8 | H9 | 10.6° | 55.0° |
| C6 | C5 | C4 | H3 | 120.4° | 120.0° |
| C6 | C5 | C4 | H4 | 120.5° | 120.1° |
| C6 | C5 | C4 | C3 | 93.8° | 180.0° |
| C6 | C5 | C4 | H1 | 145.8° | 59.9° |
| C6 | C5 | C4 | H2 | 26.5° | 60.0° |
| C6 | C5 | H3 | H4 | 118.6° | 120.1° |
| C5 | C6 | H5 | H6 | 118.4° | 120.0° |
| C5 | C6 | C7 | H7 | 130.2° | 60.0° |
| C5 | C6 | C7 | H8 | 10.6° | 60.0° |
| C5 | C4 | C3 | H1 | 120.4° | 120.0° |
| C5 | C4 | C3 | H2 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 74.6° | 180.0° |
| C5 | C4 | H1 | H2 | 118.9° | 119.9° |
| C4 | C5 | H3 | H4 | 118.6° | 119.9° |
| C4 | C5 | C6 | H5 | 141.8° | 60.0° |
| C4 | C5 | C6 | H6 | 22.8° | 59.9° |
| C5 | C4 | C3 | H17 | 165.0° | 60.0° |
| C5 | C4 | C3 | H18 | 45.8° | 60.0° |
| C4 | C3 | C2 | C1 | 60.3° | 180.0° |
| C4 | C3 | C2 | H17 | 120.4° | 119.9° |
| C4 | C3 | C2 | H18 | 120.4° | 120.0° |
| C3 | C4 | H1 | H2 | 118.8° | 120.1° |
| C3 | C4 | C5 | H3 | 26.6° | 60.0° |
| C3 | C4 | C5 | H4 | 145.7° | 60.0° |
| C4 | C3 | C2 | H15 | 60.0° | 60.0° |
| C4 | C3 | C2 | H16 | 179.3° | 60.0° |
| C4 | C3 | H17 | H18 | 118.9° | 120.0° |
| C1 | C2 | C3 | H15 | 120.3° | 120.0° |
| C1 | C2 | C3 | H16 | 120.4° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 119.0° | 120.0° |
| C1 | C2 | C3 | H17 | 60.1° | 60.1° |
| C1 | C2 | C3 | H18 | 179.3° | 60.0° |
| C2 | C3 | C4 | H1 | 45.8° | 60.0° |
| C2 | C3 | C4 | H2 | 165.0° | 60.0° |
| C3 | C2 | C1 | H12 | 180.0° | 60.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | C1 | H14 | 60.0° | 180.0° |
| C3 | C2 | H15 | H16 | 119.0° | 120.0° |
| C2 | C3 | H17 | H18 | 118.8° | 120.0° |
| O1 | C10 | C9 | H19 | 54.8° | 0.1° |
| H1 | C4 | C5 | H3 | 93.8° | 60.1° |
| H1 | C4 | C5 | H4 | 25.3° | 180.0° |
| H1 | C4 | C3 | H17 | 74.6° | 180.0° |
| H1 | C4 | C3 | H18 | 166.2° | 60.0° |
| H2 | C4 | C5 | H3 | 147.0° | 180.0° |
| H2 | C4 | C5 | H4 | 93.9° | 60.1° |
| H2 | C4 | C3 | H17 | 44.6° | 60.0° |
| H2 | C4 | C3 | H18 | 74.6° | 180.0° |
| H3 | C5 | C6 | H5 | 97.8° | 180.0° |
| H3 | C5 | C6 | H6 | 143.2° | 60.0° |
| H4 | C5 | C6 | H5 | 21.3° | 60.0° |
| H4 | C5 | C6 | H6 | 97.7° | 180.0° |
| H5 | C6 | C7 | H7 | 109.3° | 180.0° |
| H5 | C6 | C7 | H8 | 131.2° | 60.0° |
| H6 | C6 | C7 | H7 | 9.7° | 60.0° |
| H6 | C6 | C7 | H8 | 109.9° | 180.0° |
| H7 | C7 | C8 | H9 | 130.8° | 175.0° |
| H8 | C7 | C8 | H9 | 109.7° | 65.0° |
| H9 | C8 | C9 | H19 | 179.9° | 180.0° |
| H10 | C10 | C9 | H19 | 125.2° | NaN° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 59.7° | 59.9° |
| H12 | C1 | C2 | H16 | 59.6° | 180.0° |
| H13 | C1 | C2 | H15 | 60.3° | 179.9° |
| H13 | C1 | C2 | H16 | 179.6° | 60.0° |
| H14 | C1 | C2 | H15 | 179.7° | 60.0° |
| H14 | C1 | C2 | H16 | 60.4° | 60.0° |
| H15 | C2 | C3 | H17 | 179.6° | 59.9° |
| H15 | C2 | C3 | H18 | 60.4° | 180.0° |
| H16 | C2 | C3 | H17 | 60.3° | 180.0° |
| H16 | C2 | C3 | H18 | 58.9° | 60.0° |
