CGG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O1 | C | doub | 1.21Å | 1.31Å | |
| C1 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C1 | C15 | sing | 1.53Å | 1.50Å | |
| C | O | sing | 1.34Å | 1.22Å | |
| C5 | C15 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| O5 | C6 | sing | 1.35Å | 1.44Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | sing | 1.42Å | 1.48Å | |
| C7 | C8 | doub | 1.35Å | 1.34Å | |
| C8 | C9 | sing | 1.47Å | 1.49Å | |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | O7 | sing | 1.36Å | 1.38Å | |
| C13 | O8 | sing | 1.36Å | 1.37Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| O8 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | C2 | 107.1° | 109.5° |
| O3 | C3 | C4 | 114.6° | 109.4° |
| O3 | C3 | H3 | 106.4° | 109.5° |
| C3 | O3 | H11 | 109.5° | 114.0° |
| C2 | C3 | C4 | 117.6° | 109.5° |
| C3 | C2 | C1 | 110.6° | 109.5° |
| C3 | C2 | H1 | 109.2° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C2 | C3 | H3 | 105.2° | 109.5° |
| C3 | C4 | O4 | 116.9° | 109.5° |
| C3 | C4 | C5 | 117.3° | 109.4° |
| C4 | C3 | H3 | 105.0° | 109.5° |
| C3 | C4 | H4 | 103.6° | 109.4° |
| C2 | C1 | O2 | 105.8° | 109.5° |
| C2 | C1 | C | 115.3° | 109.5° |
| C2 | C1 | C15 | 110.3° | 109.5° |
| C1 | C2 | H1 | 109.2° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.4° |
| O4 | C4 | C5 | 108.7° | 109.5° |
| O4 | C4 | H4 | 104.9° | 109.5° |
| C4 | O4 | H12 | 109.5° | 114.0° |
| C4 | C5 | C15 | 115.9° | 109.5° |
| C4 | C5 | O5 | 113.8° | 109.4° |
| C5 | C4 | H4 | 103.8° | 109.5° |
| C4 | C5 | H5 | 106.4° | 109.5° |
| O1 | C | C1 | 119.9° | 120.1° |
| O1 | C | O | 119.0° | 120.0° |
| O2 | C1 | C | 107.9° | 109.5° |
| O2 | C1 | C15 | 112.2° | 109.4° |
| C1 | O2 | H10 | 109.5° | 114.0° |
| C | C1 | C15 | 105.5° | 109.4° |
| C1 | C | O | 121.1° | 120.0° |
| C1 | C15 | C5 | 110.5° | 109.4° |
| C1 | C15 | H15 | 109.2° | 109.5° |
| C1 | C15 | H16 | 109.2° | 109.4° |
| C | O | H17 | 109.5° | 117.0° |
| C15 | C5 | O5 | 105.8° | 109.4° |
| C15 | C5 | H5 | 106.9° | 109.5° |
| C5 | C15 | H15 | 109.2° | 109.5° |
| C5 | C15 | H16 | 109.2° | 109.5° |
| C5 | O5 | C6 | 113.7° | 117.0° |
| O5 | C5 | H5 | 107.6° | 109.5° |
| O5 | C6 | O6 | 119.1° | 119.9° |
| O5 | C6 | C7 | 117.8° | 120.0° |
| O6 | C6 | C7 | 123.1° | 120.1° |
| C6 | C7 | C8 | 121.6° | 120.0° |
| C6 | C7 | H6 | 119.2° | 120.0° |
| C7 | C8 | C9 | 123.4° | 120.0° |
| C8 | C7 | H6 | 119.2° | 120.0° |
| C7 | C8 | H7 | 118.3° | 120.0° |
| C8 | C9 | C10 | 124.5° | 120.1° |
| C8 | C9 | C14 | 117.3° | 120.1° |
| C9 | C8 | H7 | 118.3° | 120.0° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C10 | C9 | C14 | 118.2° | 119.8° |
| C9 | C10 | H8 | 119.6° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.1° |
| C11 | C10 | H8 | 119.5° | 120.0° |
| C10 | C11 | H9 | 119.6° | 119.9° |
| C9 | C14 | C13 | 120.8° | 119.8° |
| C9 | C14 | H18 | 119.6° | 120.1° |
| C11 | C12 | C13 | 118.5° | 120.3° |
| C11 | C12 | O7 | 119.5° | 119.8° |
| C12 | C11 | H9 | 119.6° | 120.0° |
| C14 | C13 | C12 | 120.9° | 120.0° |
| C14 | C13 | O8 | 118.6° | 120.0° |
| C13 | C14 | H18 | 119.6° | 120.1° |
| C13 | C12 | O7 | 122.1° | 119.9° |
| C12 | C13 | O8 | 120.6° | 120.0° |
| C12 | O7 | H13 | 109.5° | 114.0° |
| C13 | O8 | H14 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | C2 | C4 | 130.7° | 119.9° |
| O3 | C3 | C2 | H3 | 112.9° | 120.0° |
| O3 | C3 | C4 | H3 | 116.3° | 120.0° |
| O3 | C3 | C2 | C1 | 162.9° | 180.0° |
| O3 | C3 | C4 | O4 | 8.0° | 60.0° |
| O3 | C3 | C4 | C5 | 139.7° | 180.0° |
| O3 | C3 | C2 | H1 | 76.9° | 60.0° |
| O3 | C3 | C2 | H2 | 42.7° | 60.0° |
| O3 | C3 | C4 | H4 | 106.7° | 60.0° |
| C2 | C3 | C4 | H3 | 116.5° | 120.1° |
| C3 | C2 | C1 | H1 | 120.2° | 120.0° |
| C3 | C2 | C1 | H2 | 120.2° | 120.0° |
| C2 | C3 | C4 | O4 | 119.2° | 60.0° |
| C2 | C3 | C4 | C5 | 12.5° | 60.1° |
| C3 | C2 | C1 | O2 | 61.2° | 60.0° |
| C3 | C2 | C1 | C | 179.7° | 180.0° |
| C3 | C2 | C1 | C15 | 60.4° | 60.0° |
| C3 | C2 | H1 | H2 | 119.5° | 120.0° |
| C2 | C3 | C4 | H4 | 126.1° | 180.0° |
| C2 | C3 | O3 | H11 | 180.0° | 60.1° |
| C4 | C3 | C2 | C1 | 32.2° | 60.1° |
| C3 | C4 | O4 | C5 | 135.5° | 120.0° |
| C3 | C4 | O4 | H4 | 114.0° | 120.0° |
| C3 | C4 | C5 | H4 | 113.5° | 119.9° |
| C3 | C4 | C5 | C15 | 19.1° | 60.1° |
| C3 | C4 | C5 | O5 | 142.0° | 180.0° |
| C4 | C3 | C2 | H1 | 152.4° | 60.0° |
| C4 | C3 | C2 | H2 | 88.0° | 180.0° |
| C3 | C4 | C5 | H5 | 99.7° | 60.0° |
| C4 | C3 | O3 | H11 | 47.6° | 180.0° |
| C3 | C4 | O4 | H12 | 180.0° | 60.0° |
| C2 | C1 | C | O1 | 40.2° | 95.0° |
| C2 | C1 | O2 | C | 123.9° | 120.1° |
| C2 | C1 | O2 | C15 | 120.3° | 120.0° |
| C2 | C1 | C | C15 | 122.0° | 120.0° |
| C2 | C1 | C | O | 141.7° | 85.0° |
| C2 | C1 | C15 | C5 | 68.5° | 60.0° |
| C1 | C2 | H1 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | H3 | 84.2° | 60.0° |
| C2 | C1 | O2 | H10 | 180.0° | 60.0° |
| C2 | C1 | C15 | H15 | 171.4° | 180.0° |
| C2 | C1 | C15 | H16 | 51.7° | 60.0° |
| O4 | C4 | C5 | H4 | 111.2° | 120.1° |
| O4 | C4 | C5 | C15 | 116.2° | 59.9° |
| O4 | C4 | C5 | O5 | 6.7° | 60.0° |
| O4 | C4 | C3 | H3 | 124.3° | 179.9° |
| O4 | C4 | C5 | H5 | 125.0° | 180.0° |
| C4 | C5 | C15 | C1 | 46.3° | 60.0° |
| C4 | C5 | C15 | O5 | 127.1° | 119.9° |
| C4 | C5 | C15 | H5 | 118.4° | 120.1° |
| C4 | C5 | O5 | H5 | 117.6° | 120.0° |
| C4 | C5 | O5 | C6 | 130.0° | 90.0° |
| C5 | C4 | C3 | H3 | 104.1° | 60.0° |
| C5 | C4 | O4 | H12 | 44.5° | 180.0° |
| C4 | C5 | C15 | H15 | 166.4° | 180.0° |
| C4 | C5 | C15 | H16 | 73.9° | 59.9° |
| O1 | C | C1 | O2 | 158.1° | 145.0° |
| O1 | C | C1 | O | 178.2° | 180.0° |
| O1 | C | C1 | C15 | 81.8° | 25.0° |
| O1 | C | O | H17 | 0.0° | 0.0° |
| O2 | C1 | C | C15 | 120.1° | 119.9° |
| O2 | C1 | C | O | 23.7° | 35.0° |
| O2 | C1 | C15 | C5 | 49.2° | 60.0° |
| O2 | C1 | C2 | H1 | 59.0° | 180.0° |
| O2 | C1 | C2 | H2 | 178.7° | 60.0° |
| O2 | C1 | C15 | H15 | 71.0° | 60.0° |
| O2 | C1 | C15 | H16 | 169.3° | 180.0° |
| C | C1 | C15 | C5 | 166.4° | 180.0° |
| C | C1 | C2 | H1 | 60.1° | 60.0° |
| C | C1 | C2 | H2 | 59.6° | 60.0° |
| C | C1 | O2 | H10 | 56.1° | 60.0° |
| C | C1 | C15 | H15 | 46.2° | 60.0° |
| C | C1 | C15 | H16 | 73.4° | 60.0° |
| C1 | C | O | H17 | 178.2° | 179.9° |
| C15 | C1 | C | O | 96.4° | 155.0° |
| C1 | C15 | C5 | H15 | 120.2° | 120.0° |
| C1 | C15 | C5 | H16 | 120.1° | 119.9° |
| C1 | C15 | C5 | O5 | 173.3° | 180.0° |
| C15 | C1 | C2 | H1 | 179.4° | 60.0° |
| C15 | C1 | C2 | H2 | 59.8° | 180.0° |
| C1 | C15 | C5 | H5 | 72.2° | 60.1° |
| C15 | C1 | O2 | H10 | 59.7° | 180.0° |
| C1 | C15 | H15 | H16 | 119.5° | 120.0° |
| C15 | C5 | O5 | H5 | 114.0° | 120.0° |
| C15 | C5 | O5 | C6 | 101.6° | 150.0° |
| C15 | C5 | C4 | H4 | 132.5° | 180.0° |
| C5 | C15 | H15 | H16 | 119.6° | 120.1° |
| C5 | O5 | C6 | O6 | 0.9° | 0.1° |
| C5 | O5 | C6 | C7 | 179.5° | 180.0° |
| O5 | C5 | C4 | H4 | 104.5° | 60.1° |
| O5 | C5 | C15 | H15 | 66.5° | 60.0° |
| O5 | C5 | C15 | H16 | 53.2° | 60.0° |
| O5 | C6 | O6 | C7 | 178.5° | 179.9° |
| O5 | C6 | C7 | C8 | 173.0° | 180.0° |
| C6 | O5 | C5 | H5 | 12.4° | 30.1° |
| O5 | C6 | C7 | H6 | 7.0° | 0.1° |
| O6 | C6 | C7 | C8 | 5.5° | 0.1° |
| O6 | C6 | C7 | H6 | 174.5° | 179.9° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 178.8° | 179.9° |
| C6 | C7 | C8 | H7 | 1.2° | 0.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 3.1° | 0.3° |
| C7 | C8 | C9 | C14 | 177.1° | 180.0° |
| C8 | C9 | C10 | C14 | 179.8° | 179.7° |
| C8 | C9 | C10 | C11 | 179.8° | 180.0° |
| C8 | C9 | C14 | C13 | 179.9° | 179.7° |
| C9 | C8 | C7 | H6 | 1.2° | 0.0° |
| C8 | C9 | C10 | H8 | 0.2° | 0.0° |
| C8 | C9 | C14 | H18 | 0.1° | 0.0° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C14 | C13 | 0.3° | 0.6° |
| C10 | C9 | C8 | H7 | 176.9° | 179.7° |
| C9 | C10 | C11 | H9 | 179.9° | 180.0° |
| C10 | C9 | C14 | H18 | 179.7° | 179.8° |
| C11 | C10 | C9 | C14 | 0.0° | 0.3° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | O7 | 179.1° | 180.0° |
| C9 | C14 | C13 | H18 | 180.0° | 179.7° |
| C9 | C14 | C13 | C12 | 0.5° | 0.5° |
| C9 | C14 | C13 | O8 | 179.3° | 179.7° |
| C14 | C9 | C8 | H7 | 2.9° | 0.0° |
| C14 | C9 | C10 | H8 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.4° | 0.2° |
| C11 | C12 | C13 | O7 | 179.0° | 180.0° |
| C11 | C12 | C13 | O8 | 179.4° | 180.0° |
| C12 | C11 | C10 | H8 | 179.9° | 179.9° |
| C11 | C12 | O7 | H13 | 180.0° | 90.0° |
| C14 | C13 | C12 | O8 | 179.8° | 179.7° |
| C14 | C13 | C12 | O7 | 179.4° | 179.7° |
| C14 | C13 | O8 | H14 | 180.0° | 89.7° |
| C13 | C12 | C11 | H9 | 179.9° | 179.9° |
| C13 | C12 | O7 | H13 | 1.0° | 89.9° |
| C12 | C13 | O8 | H14 | 0.2° | 90.0° |
| C12 | C13 | C14 | H18 | 179.5° | 179.8° |
| O7 | C12 | C13 | O8 | 0.4° | 0.0° |
| O7 | C12 | C11 | H9 | 0.9° | 0.0° |
| O8 | C13 | C14 | H18 | 0.7° | 0.1° |
| H1 | C2 | C3 | H3 | 36.0° | 180.0° |
| H2 | C2 | C3 | H3 | 155.7° | 60.0° |
| H3 | C3 | C4 | H4 | 9.6° | 59.9° |
| H3 | C3 | O3 | H11 | 67.9° | 60.0° |
| H4 | C4 | C5 | H5 | 13.8° | 59.9° |
| H4 | C4 | O4 | H12 | 66.0° | 60.0° |
| H5 | C5 | C15 | H15 | 48.0° | 59.9° |
| H5 | C5 | C15 | H16 | 167.7° | 180.0° |
| H6 | C7 | C8 | H7 | 178.8° | 180.0° |
| H8 | C10 | C11 | H9 | 0.1° | 0.1° |
