7H6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C1 | sing | 1.51Å | 1.50Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | doub | 1.29Å | 1.33Å | |
| C1 | C6 | sing | 1.50Å | 1.50Å | |
| C2 | C3 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C8 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.52Å | 1.57Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C8 | C4 | sing | 1.54Å | 1.57Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C4 | C11 | sing | 1.54Å | 1.56Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C11 | C15 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| O3 | C15 | doub | 1.21Å | 1.24Å | |
| C15 | O2 | sing | 1.34Å | 1.24Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C2 | 122.3° | 117.9° |
| C7 | C1 | C6 | 122.2° | 117.8° |
| C1 | C7 | H4 | 109.5° | 109.5° |
| C1 | C7 | H5 | 109.5° | 109.5° |
| C1 | C7 | H6 | 109.5° | 109.5° |
| C14 | C12 | C13 | 111.9° | 109.5° |
| C14 | C12 | C8 | 107.1° | 109.5° |
| C14 | C12 | H17 | 107.7° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C12 | C14 | H20 | 109.4° | 109.5° |
| C2 | C1 | C6 | 115.4° | 124.3° |
| C1 | C2 | C3 | 120.3° | 124.0° |
| C1 | C2 | H23 | 119.8° | 118.0° |
| C1 | C6 | C5 | 101.5° | 110.2° |
| C1 | C6 | O1 | 111.9° | 109.3° |
| C1 | C6 | H3 | 109.2° | 109.2° |
| C2 | C3 | C4 | 112.8° | 110.2° |
| C2 | C3 | H21 | 108.6° | 109.3° |
| C2 | C3 | H22 | 108.6° | 109.2° |
| C3 | C2 | H23 | 119.8° | 118.0° |
| C5 | C6 | O1 | 115.1° | 109.3° |
| C6 | C5 | C4 | 113.3° | 108.5° |
| C6 | C5 | H1 | 108.5° | 109.6° |
| C6 | C5 | H2 | 108.5° | 109.8° |
| C5 | C6 | H3 | 108.8° | 109.3° |
| O1 | C6 | H3 | 110.0° | 109.4° |
| C6 | O1 | H24 | 109.5° | 114.0° |
| C13 | C12 | C8 | 115.1° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.4° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C13 | C12 | H17 | 107.4° | 109.5° |
| C12 | C8 | C4 | 118.2° | 110.1° |
| C12 | C8 | C9 | 109.2° | 110.1° |
| C12 | C8 | H7 | 107.0° | 110.1° |
| C8 | C12 | H17 | 107.3° | 109.5° |
| C3 | C4 | C5 | 107.3° | 109.6° |
| C3 | C4 | C8 | 116.9° | 110.3° |
| C3 | C4 | C11 | 115.5° | 110.1° |
| C4 | C3 | H21 | 108.6° | 109.4° |
| C4 | C3 | H22 | 108.6° | 109.3° |
| C5 | C4 | C8 | 110.6° | 110.1° |
| C5 | C4 | C11 | 102.4° | 109.8° |
| C4 | C5 | H1 | 108.5° | 109.6° |
| C4 | C5 | H2 | 108.5° | 109.7° |
| C4 | C8 | C9 | 108.0° | 106.5° |
| C8 | C4 | C11 | 103.3° | 107.0° |
| C4 | C8 | H7 | 106.7° | 110.0° |
| C8 | C9 | C10 | 104.7° | 104.2° |
| C9 | C8 | H7 | 107.2° | 110.0° |
| C8 | C9 | H15 | 110.7° | 110.5° |
| C8 | C9 | H16 | 110.6° | 110.6° |
| C4 | C11 | C15 | 114.3° | 110.5° |
| C4 | C11 | C10 | 106.7° | 104.1° |
| C4 | C11 | H14 | 107.9° | 110.5° |
| C9 | C10 | C11 | 104.7° | 102.8° |
| C9 | C10 | H8 | 110.7° | 110.7° |
| C9 | C10 | H9 | 110.6° | 110.9° |
| C10 | C9 | H15 | 110.7° | 110.4° |
| C10 | C9 | H16 | 110.7° | 110.5° |
| C15 | C11 | C10 | 110.6° | 110.5° |
| C11 | C15 | O3 | 117.1° | 120.0° |
| C11 | C15 | O2 | 118.7° | 120.0° |
| C15 | C11 | H14 | 108.9° | 110.5° |
| C11 | C10 | H8 | 110.6° | 110.8° |
| C11 | C10 | H9 | 110.7° | 110.8° |
| C10 | C11 | H14 | 108.2° | 110.7° |
| O3 | C15 | O2 | 124.2° | 120.0° |
| C15 | O2 | H13 | 109.5° | 117.0° |
| H1 | C5 | H2 | 109.4° | 109.6° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H4 | C7 | H6 | 109.4° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.6° |
| H10 | C13 | H11 | 109.4° | 109.4° |
| H10 | C13 | H12 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.4° |
| H15 | C9 | H16 | 109.5° | 110.6° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.4° |
| H21 | C3 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C2 | C6 | 177.3° | 180.0° |
| C7 | C1 | C2 | C3 | 179.4° | 179.4° |
| C7 | C1 | C6 | C5 | 124.4° | 162.5° |
| C7 | C1 | C6 | O1 | 112.4° | 42.4° |
| C7 | C1 | C6 | H3 | 9.7° | 77.3° |
| C1 | C7 | H4 | H5 | 120.0° | 120.0° |
| C1 | C7 | H4 | H6 | 120.0° | 120.0° |
| C1 | C7 | H5 | H6 | 120.0° | 120.0° |
| C7 | C1 | C2 | H23 | 0.6° | 0.6° |
| C14 | C12 | C13 | C8 | 122.6° | 120.0° |
| C14 | C12 | C13 | H17 | 118.0° | 120.0° |
| C14 | C12 | C8 | H17 | 115.3° | 120.0° |
| C14 | C12 | C8 | C4 | 71.8° | 78.0° |
| C14 | C12 | C8 | C9 | 164.2° | 39.1° |
| C14 | C12 | C8 | H7 | 48.5° | 160.5° |
| C14 | C12 | C13 | H10 | 180.0° | 64.9° |
| C14 | C12 | C13 | H11 | 60.0° | 175.1° |
| C14 | C12 | C13 | H12 | 60.0° | 55.2° |
| C12 | C14 | H18 | H19 | 120.0° | 120.1° |
| C12 | C14 | H18 | H20 | 120.0° | 120.0° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C1 | C2 | C3 | H23 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 52.9° | 17.5° |
| C2 | C1 | C6 | O1 | 70.3° | 137.7° |
| C1 | C2 | C3 | C4 | 44.6° | 16.2° |
| C2 | C1 | C6 | H3 | 167.6° | 102.6° |
| C2 | C1 | C7 | H4 | 180.0° | 0.0° |
| C2 | C1 | C7 | H5 | 60.0° | 120.0° |
| C2 | C1 | C7 | H6 | 60.0° | 120.0° |
| C1 | C2 | C3 | H21 | 75.8° | 136.4° |
| C1 | C2 | C3 | H22 | 165.1° | 104.0° |
| C6 | C1 | C2 | C3 | 2.1° | 0.6° |
| C1 | C6 | C5 | O1 | 121.0° | 120.2° |
| C1 | C6 | C5 | H3 | 115.0° | 120.1° |
| C1 | C6 | O1 | H3 | 121.6° | 119.6° |
| C1 | C6 | C5 | C4 | 72.5° | 48.8° |
| C1 | C6 | C5 | H1 | 48.1° | 70.8° |
| C1 | C6 | C5 | H2 | 166.9° | 168.7° |
| C6 | C1 | C7 | H4 | 2.9° | 179.9° |
| C6 | C1 | C7 | H5 | 117.2° | 60.0° |
| C6 | C1 | C7 | H6 | 122.8° | 60.0° |
| C6 | C1 | C2 | H23 | 177.9° | 179.4° |
| C1 | C6 | O1 | H24 | 180.0° | 59.3° |
| C2 | C3 | C4 | H21 | 120.5° | 120.2° |
| C2 | C3 | C4 | H22 | 120.5° | 120.1° |
| C2 | C3 | C4 | C5 | 23.0° | 48.2° |
| C2 | C3 | C4 | C8 | 101.8° | 73.2° |
| C2 | C3 | C4 | C11 | 136.5° | 169.0° |
| C2 | C3 | H21 | H22 | 118.5° | 119.5° |
| C5 | C6 | O1 | H3 | 123.3° | 119.7° |
| C6 | C5 | C4 | C3 | 32.8° | 66.3° |
| C6 | C5 | C4 | H1 | 120.6° | 119.7° |
| C6 | C5 | C4 | H2 | 120.6° | 119.9° |
| C6 | C5 | C4 | C8 | 161.3° | 55.2° |
| C6 | C5 | C4 | C11 | 89.1° | 172.7° |
| C6 | C5 | H1 | H2 | 118.2° | 120.6° |
| C5 | C6 | O1 | H24 | 64.9° | 180.0° |
| O1 | C6 | C5 | C4 | 48.5° | 169.0° |
| O1 | C6 | C5 | H1 | 169.1° | 49.3° |
| O1 | C6 | C5 | H2 | 72.1° | 71.1° |
| C13 | C12 | C8 | H17 | 119.5° | 120.0° |
| C13 | C12 | C8 | C4 | 163.1° | 162.0° |
| C13 | C12 | C8 | C9 | 39.1° | 80.9° |
| C13 | C12 | C8 | H7 | 76.6° | 40.5° |
| C12 | C13 | H10 | H11 | 120.1° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.1° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C14 | H18 | 180.0° | 40.7° |
| C13 | C12 | C14 | H19 | 60.0° | 160.7° |
| C13 | C12 | C14 | H20 | 60.0° | 79.3° |
| C12 | C8 | C4 | C3 | 1.6° | 0.3° |
| C12 | C8 | C4 | C5 | 121.5° | 121.3° |
| C12 | C8 | C4 | C9 | 124.5° | 119.3° |
| C12 | C8 | C4 | H7 | 120.5° | 121.5° |
| C12 | C8 | C9 | H7 | 115.5° | 121.5° |
| C12 | C8 | C4 | C11 | 129.5° | 119.4° |
| C12 | C8 | C9 | C10 | 155.0° | 142.8° |
| C8 | C12 | C13 | H10 | 57.4° | 175.1° |
| C8 | C12 | C13 | H11 | 177.5° | 55.1° |
| C8 | C12 | C13 | H12 | 62.6° | 64.8° |
| C12 | C8 | C9 | H15 | 35.8° | 24.2° |
| C12 | C8 | C9 | H16 | 85.7° | 98.5° |
| C8 | C12 | C14 | H18 | 53.0° | 79.4° |
| C8 | C12 | C14 | H19 | 67.1° | 40.7° |
| C8 | C12 | C14 | H20 | 173.0° | 160.6° |
| C3 | C4 | C5 | C8 | 128.5° | 121.5° |
| C3 | C4 | C5 | C11 | 122.0° | 121.0° |
| C3 | C4 | C8 | C11 | 127.9° | 119.7° |
| C3 | C4 | C8 | C9 | 122.9° | 119.6° |
| C3 | C4 | C11 | C15 | 23.0° | 24.6° |
| C3 | C4 | C11 | C10 | 145.6° | 143.2° |
| C3 | C4 | C5 | H1 | 87.7° | 53.4° |
| C3 | C4 | C5 | H2 | 153.4° | 173.8° |
| C3 | C4 | C8 | H7 | 122.1° | 121.2° |
| C3 | C4 | C11 | H14 | 98.3° | 98.0° |
| C4 | C3 | H21 | H22 | 118.5° | 119.7° |
| C4 | C3 | C2 | H23 | 135.4° | 163.9° |
| C5 | C4 | C8 | C11 | 109.0° | 119.3° |
| C5 | C4 | C8 | C9 | 114.0° | 119.3° |
| C5 | C4 | C11 | C15 | 139.2° | 145.3° |
| C5 | C4 | C11 | C10 | 98.2° | 96.1° |
| C4 | C5 | H1 | H2 | 118.3° | 120.4° |
| C4 | C5 | C6 | H3 | 172.5° | 71.3° |
| C5 | C4 | C8 | H7 | 1.0° | 0.2° |
| C5 | C4 | C11 | H14 | 17.9° | 22.8° |
| C5 | C4 | C3 | H21 | 97.4° | 168.4° |
| C5 | C4 | C3 | H22 | 143.5° | 71.9° |
| C4 | C8 | C9 | H7 | 114.7° | 119.2° |
| C4 | C8 | C9 | C10 | 25.2° | 23.5° |
| C8 | C4 | C11 | C15 | 105.8° | 95.2° |
| C8 | C4 | C11 | C10 | 16.8° | 23.4° |
| C8 | C4 | C5 | H1 | 40.8° | 174.9° |
| C8 | C4 | C5 | H2 | 78.1° | 64.7° |
| C8 | C4 | C11 | H14 | 132.9° | 142.2° |
| C4 | C8 | C9 | H15 | 94.0° | 95.1° |
| C4 | C8 | C9 | H16 | 144.5° | 142.2° |
| C4 | C8 | C12 | H17 | 43.5° | 42.0° |
| C8 | C4 | C3 | H21 | 137.8° | 47.0° |
| C8 | C4 | C3 | H22 | 18.7° | 166.8° |
| C9 | C8 | C4 | C11 | 5.0° | 0.1° |
| C8 | C9 | C10 | H15 | 119.3° | 118.6° |
| C8 | C9 | C10 | H16 | 119.2° | 118.8° |
| C8 | C9 | C10 | C11 | 35.5° | 37.7° |
| C8 | C9 | C10 | H8 | 154.7° | 80.7° |
| C8 | C9 | C10 | H9 | 83.7° | 156.1° |
| C8 | C9 | H15 | H16 | 122.2° | 122.7° |
| C9 | C8 | C12 | H17 | 80.4° | 159.1° |
| C4 | C11 | C10 | C9 | 32.9° | 37.6° |
| C4 | C11 | C15 | C10 | 120.4° | 114.6° |
| C4 | C11 | C15 | H14 | 120.8° | 122.6° |
| C4 | C11 | C10 | H14 | 115.9° | 118.7° |
| C4 | C11 | C15 | O3 | 85.3° | 99.3° |
| C4 | C11 | C15 | O2 | 96.0° | 80.6° |
| C11 | C4 | C5 | H1 | 150.3° | 67.6° |
| C11 | C4 | C5 | H2 | 31.4° | 52.8° |
| C11 | C4 | C8 | H7 | 110.0° | 119.1° |
| C4 | C11 | C10 | H8 | 152.2° | 80.7° |
| C4 | C11 | C10 | H9 | 86.3° | 156.1° |
| C11 | C4 | C3 | H21 | 16.0° | 70.7° |
| C11 | C4 | C3 | H22 | 103.0° | 49.0° |
| C9 | C10 | C11 | C15 | 91.9° | 81.0° |
| C9 | C10 | C11 | H8 | 119.3° | 118.3° |
| C9 | C10 | C11 | H9 | 119.2° | 118.5° |
| C10 | C9 | C8 | H7 | 89.4° | 95.7° |
| C9 | C10 | H8 | H9 | 122.2° | 123.3° |
| C9 | C10 | C11 | H14 | 148.8° | 156.3° |
| C10 | C9 | H15 | H16 | 122.2° | 122.6° |
| C15 | C11 | C10 | H14 | 119.2° | 122.7° |
| C11 | C15 | O3 | O2 | 178.7° | 180.0° |
| C15 | C11 | C10 | H8 | 27.3° | 160.7° |
| C15 | C11 | C10 | H9 | 148.9° | 37.5° |
| C11 | C15 | O2 | H13 | 178.7° | 180.0° |
| C10 | C11 | C15 | O3 | 154.4° | 15.3° |
| C10 | C11 | C15 | O2 | 24.4° | 164.7° |
| C11 | C10 | H8 | H9 | 122.2° | 123.2° |
| C11 | C10 | C9 | H15 | 83.8° | 80.9° |
| C11 | C10 | C9 | H16 | 154.7° | 156.4° |
| O3 | C15 | O2 | H13 | 0.0° | 0.1° |
| O3 | C15 | C11 | H14 | 35.5° | 138.1° |
| O2 | C15 | C11 | H14 | 143.3° | 41.9° |
| H1 | C5 | C6 | H3 | 66.9° | 169.1° |
| H2 | C5 | C6 | H3 | 51.9° | 48.6° |
| H3 | C6 | O1 | H24 | 58.4° | 60.3° |
| H4 | C7 | H5 | H6 | 120.0° | 119.9° |
| H7 | C8 | C9 | H15 | 151.3° | 145.7° |
| H7 | C8 | C9 | H16 | 29.8° | 23.0° |
| H7 | C8 | C12 | H17 | 163.9° | 79.5° |
| H8 | C10 | C11 | H14 | 91.9° | 38.0° |
| H8 | C10 | C9 | H15 | 35.5° | 160.7° |
| H8 | C10 | C9 | H16 | 86.0° | 38.1° |
| H9 | C10 | C11 | H14 | 29.6° | 85.2° |
| H9 | C10 | C9 | H15 | 157.0° | 37.5° |
| H9 | C10 | C9 | H16 | 35.5° | 85.1° |
| H10 | C13 | H11 | H12 | 119.9° | 120.0° |
| H10 | C13 | C12 | H17 | 62.0° | 55.1° |
| H11 | C13 | C12 | H17 | 58.0° | 64.9° |
| H12 | C13 | C12 | H17 | 178.0° | 175.2° |
| H17 | C12 | C14 | H18 | 62.1° | 160.7° |
| H17 | C12 | C14 | H19 | 177.8° | 79.3° |
| H17 | C12 | C14 | H20 | 57.9° | 40.7° |
| H18 | C14 | H19 | H20 | 120.0° | 119.9° |
| H21 | C3 | C2 | H23 | 104.1° | 43.6° |
| H22 | C3 | C2 | H23 | 14.9° | 76.0° |
