4E6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.59Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C10 | C11 | doub | 1.33Å | 1.31Å | |
| C11 | C12 | sing | 1.47Å | 1.23Å | |
| C12 | C13 | doub | 1.33Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | doub | 1.31Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H16A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 104.0° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | H2 | 111.4° | 109.5° |
| C1 | C2 | H2A | 111.3° | 109.5° |
| C2 | C3 | C4 | 113.1° | 109.4° |
| C3 | C2 | H2 | 111.3° | 109.4° |
| C3 | C2 | H2A | 111.3° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.4° |
| C2 | C3 | H3A | 108.3° | 109.5° |
| C3 | C4 | C5 | 127.1° | 109.4° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H3A | 108.3° | 109.5° |
| C3 | C4 | H4 | 104.0° | 109.5° |
| C3 | C4 | H4A | 103.9° | 109.5° |
| C4 | C5 | C6 | 115.6° | 109.5° |
| C5 | C4 | H4 | 104.0° | 109.4° |
| C5 | C4 | H4A | 104.0° | 109.4° |
| C4 | C5 | H5 | 107.5° | 109.4° |
| C4 | C5 | H5A | 107.5° | 109.5° |
| C5 | C6 | C7 | 110.2° | 109.5° |
| C6 | C5 | H5 | 107.5° | 109.5° |
| C6 | C5 | H5A | 107.5° | 109.4° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C5 | C6 | H6A | 109.2° | 109.5° |
| C6 | C7 | C8 | 111.6° | 109.5° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| C7 | C6 | H6A | 109.2° | 109.4° |
| C6 | C7 | H7 | 108.8° | 109.5° |
| C6 | C7 | H7A | 108.7° | 109.5° |
| C7 | C8 | C9 | 122.0° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.4° |
| C8 | C7 | H7A | 108.8° | 109.5° |
| C7 | C8 | H8 | 105.5° | 109.4° |
| C7 | C8 | H8A | 105.5° | 109.4° |
| C8 | C9 | C10 | 155.1° | 109.4° |
| C9 | C8 | H8 | 105.5° | 109.6° |
| C9 | C8 | H8A | 105.5° | 109.5° |
| C8 | C9 | H9 | 96.3° | 109.5° |
| C8 | C9 | H9A | 96.3° | 109.4° |
| C9 | C10 | C11 | 109.8° | 120.0° |
| C10 | C9 | H9 | 96.3° | 109.5° |
| C10 | C9 | H9A | 96.3° | 109.5° |
| C9 | C10 | H10 | 125.1° | 120.0° |
| C10 | C11 | C12 | 135.0° | 120.0° |
| C11 | C10 | H10 | 125.1° | 120.0° |
| C10 | C11 | H11 | 112.5° | 120.0° |
| C11 | C12 | C13 | 152.3° | 120.0° |
| C12 | C11 | H11 | 112.5° | 120.0° |
| C11 | C12 | H12 | 103.9° | 120.0° |
| C12 | C13 | C14 | 128.4° | 120.0° |
| C13 | C12 | H12 | 103.9° | 120.0° |
| C12 | C13 | H13 | 115.8° | 119.9° |
| C13 | C14 | C15 | 94.8° | 109.4° |
| C14 | C13 | H13 | 115.8° | 120.0° |
| C13 | C14 | H14 | 114.7° | 109.5° |
| C13 | C14 | H14A | 114.7° | 109.5° |
| C14 | C15 | C16 | 128.6° | 120.0° |
| C15 | C14 | H14 | 114.7° | 109.5° |
| C15 | C14 | H14A | 114.7° | 109.4° |
| C14 | C15 | H15 | 115.7° | 120.0° |
| C16 | C15 | H15 | 115.7° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C15 | C16 | H16A | 120.0° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H2 | C2 | H2A | 107.5° | 109.5° |
| H3 | C3 | H3A | 110.6° | 109.5° |
| H4 | C4 | H4A | 114.4° | 109.5° |
| H5 | C5 | H5A | 111.3° | 109.5° |
| H6 | C6 | H6A | 109.7° | 109.5° |
| H7 | C7 | H7A | 110.2° | 109.5° |
| H8 | C8 | H8A | 113.1° | 109.5° |
| H9 | C9 | H9A | 118.8° | 109.5° |
| H14 | C14 | H14A | 103.7° | 109.5° |
| H16 | C16 | H16A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 175.7° | 180.0° |
| C2 | C1 | H1 | H1A | 120.0° | 120.1° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | C2 | H2 | H2A | 122.2° | 120.0° |
| C1 | C2 | C3 | H3 | 55.7° | 60.0° |
| C1 | C2 | C3 | H3A | 64.3° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 176.1° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H1A | 60.0° | 180.0° |
| C3 | C2 | C1 | H1B | 60.0° | 59.9° |
| C3 | C2 | H2 | H2A | 122.2° | 120.0° |
| C2 | C3 | H3 | H3A | 118.5° | 120.0° |
| C2 | C3 | C4 | H4 | 64.0° | 60.1° |
| C2 | C3 | C4 | H4A | 56.1° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 173.2° | 180.0° |
| C4 | C3 | C2 | H2 | 64.3° | 60.0° |
| C4 | C3 | C2 | H2A | 55.7° | 59.9° |
| C4 | C3 | H3 | H3A | 118.5° | 120.0° |
| C3 | C4 | H4 | H4A | 112.7° | 120.1° |
| C3 | C4 | C5 | H5 | 53.2° | 60.0° |
| C3 | C4 | C5 | H5A | 66.7° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 167.5° | 180.0° |
| C5 | C4 | C3 | H3 | 56.1° | 60.1° |
| C5 | C4 | C3 | H3A | 63.9° | 60.0° |
| C5 | C4 | H4 | H4A | 112.7° | 120.0° |
| C4 | C5 | H5 | H5A | 117.5° | 120.0° |
| C4 | C5 | C6 | H6 | 72.4° | 60.0° |
| C4 | C5 | C6 | H6A | 47.5° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.1° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 165.1° | 180.0° |
| C6 | C5 | C4 | H4 | 66.8° | 60.0° |
| C6 | C5 | C4 | H4A | 53.3° | 60.0° |
| C6 | C5 | H5 | H5A | 117.5° | 120.0° |
| C5 | C6 | H6 | H6A | 119.7° | 120.0° |
| C5 | C6 | C7 | H7 | 45.1° | 60.0° |
| C5 | C6 | C7 | H7A | 74.9° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 165.4° | 180.0° |
| C7 | C6 | C5 | H5 | 47.5° | 60.0° |
| C7 | C6 | C5 | H5A | 72.4° | 60.0° |
| C7 | C6 | H6 | H6A | 119.7° | 119.9° |
| C6 | C7 | H7 | H7A | 119.1° | 120.0° |
| C6 | C7 | C8 | H8 | 74.6° | 59.9° |
| C6 | C7 | C8 | H8A | 45.4° | 60.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 120.0° | 119.9° |
| C7 | C8 | C9 | C10 | 178.0° | 180.0° |
| C8 | C7 | C6 | H6 | 74.9° | 60.0° |
| C8 | C7 | C6 | H6A | 45.1° | 60.0° |
| C8 | C7 | H7 | H7A | 119.1° | 120.0° |
| C7 | C8 | H8 | H8A | 114.8° | 119.9° |
| C7 | C8 | C9 | H9 | 62.0° | 60.0° |
| C7 | C8 | C9 | H9A | 58.0° | 60.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 119.9° |
| C8 | C9 | C10 | C11 | 179.9° | 125.1° |
| C9 | C8 | C7 | H7 | 45.3° | 60.0° |
| C9 | C8 | C7 | H7A | 74.7° | 60.0° |
| C9 | C8 | H8 | H8A | 114.8° | 120.0° |
| C8 | C9 | H9 | H9A | 100.7° | 120.0° |
| C8 | C9 | C10 | H10 | 0.1° | 55.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 171.7° | 180.0° |
| C10 | C9 | C8 | H8 | 58.0° | 60.0° |
| C10 | C9 | C8 | H8A | 62.0° | 60.1° |
| C10 | C9 | H9 | H9A | 100.8° | 120.1° |
| C9 | C10 | C11 | H11 | 8.3° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 179.9° |
| C11 | C10 | C9 | H9 | 60.1° | 5.1° |
| C11 | C10 | C9 | H9A | 59.9° | 115.0° |
| C10 | C11 | C12 | H12 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 176.5° | 180.0° |
| C12 | C11 | C10 | H10 | 8.3° | 0.0° |
| C11 | C12 | C13 | H13 | 3.5° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.1° | 125.0° |
| C13 | C12 | C11 | H11 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 59.1° | 115.0° |
| C12 | C13 | C14 | H14A | 60.9° | 5.1° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 178.7° | 125.0° |
| C14 | C13 | C12 | H12 | 3.5° | 0.1° |
| C13 | C14 | H14 | H14A | 125.9° | 120.0° |
| C13 | C14 | C15 | H15 | 1.3° | 55.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 0.9° | 55.1° |
| C15 | C14 | H14 | H14A | 125.9° | 120.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16A | 0.0° | 0.0° |
| C16 | C15 | C14 | H14 | 61.3° | 5.0° |
| C16 | C15 | C14 | H14A | 58.7° | 115.0° |
| C15 | C16 | H16 | H16A | 180.0° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H1 | C1 | C2 | H2 | 60.0° | 179.9° |
| H1 | C1 | C2 | H2A | 60.0° | 60.1° |
| H1A | C1 | C2 | H2 | 60.0° | 60.0° |
| H1A | C1 | C2 | H2A | 180.0° | 59.9° |
| H1B | C1 | C2 | H2 | 180.0° | 60.0° |
| H1B | C1 | C2 | H2A | 60.0° | 180.0° |
| H2 | C2 | C3 | H3 | 175.7° | 180.0° |
| H2 | C2 | C3 | H3A | 55.7° | 60.0° |
| H2A | C2 | C3 | H3 | 64.3° | 60.0° |
| H2A | C2 | C3 | H3A | 175.7° | 180.0° |
| H3 | C3 | C4 | H4 | 176.1° | 180.0° |
| H3 | C3 | C4 | H4A | 63.9° | 59.9° |
| H3A | C3 | C4 | H4 | 56.1° | 60.0° |
| H3A | C3 | C4 | H4A | 176.1° | 180.0° |
| H4 | C4 | C5 | H5 | 173.2° | 180.0° |
| H4 | C4 | C5 | H5A | 53.3° | 60.0° |
| H4A | C4 | C5 | H5 | 66.7° | 60.0° |
| H4A | C4 | C5 | H5A | 173.3° | 180.0° |
| H5 | C5 | C6 | H6 | 167.5° | 179.9° |
| H5 | C5 | C6 | H6A | 72.5° | 59.9° |
| H5A | C5 | C6 | H6 | 47.6° | 60.0° |
| H5A | C5 | C6 | H6A | 167.6° | 180.0° |
| H6 | C6 | C7 | H7 | 165.1° | 179.9° |
| H6 | C6 | C7 | H7A | 45.1° | 60.1° |
| H6A | C6 | C7 | H7 | 74.9° | 60.0° |
| H6A | C6 | C7 | H7A | 165.1° | 180.0° |
| H7 | C7 | C8 | H8 | 165.4° | 179.9° |
| H7 | C7 | C8 | H8A | 74.7° | 60.0° |
| H7A | C7 | C8 | H8 | 45.4° | 60.1° |
| H7A | C7 | C8 | H8A | 165.3° | 180.0° |
| H8 | C8 | C9 | H9 | 178.0° | 180.0° |
| H8 | C8 | C9 | H9A | 62.0° | 60.0° |
| H8A | C8 | C9 | H9 | 58.0° | 59.9° |
| H8A | C8 | C9 | H9A | 178.0° | 180.0° |
| H9 | C9 | C10 | H10 | 119.9° | 175.0° |
| H9A | C9 | C10 | H10 | 120.1° | 64.9° |
| H10 | C10 | C11 | H11 | 171.7° | 180.0° |
| H11 | C11 | C12 | H12 | 179.9° | 179.9° |
| H12 | C12 | C13 | H13 | 176.5° | 180.0° |
| H13 | C13 | C14 | H14 | 120.9° | 64.9° |
| H13 | C13 | C14 | H14A | 119.1° | 175.0° |
| H14 | C14 | C15 | H15 | 118.8° | 175.0° |
| H14A | C14 | C15 | H15 | 121.3° | 65.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16A | 180.0° | 180.0° |
