GHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| O | C6 | sing | 1.42Å | 1.46Å | |
| O | C8 | sing | 1.42Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.52Å | 1.47Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| C8 | C9 | sing | 1.52Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C3 | C9 | sing | 1.53Å | 1.53Å | |
| C3 | C1 | sing | 1.51Å | 1.50Å | |
| C | C1 | sing | 1.51Å | 1.39Å | |
| C1 | C2 | doub | 1.31Å | 1.34Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | O | 113.0° | 117.5° |
| C7 | C6 | C5 | 115.7° | 115.5° |
| C7 | C6 | C8 | 121.2° | 117.4° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C6 | C7 | H12 | 109.5° | 109.5° |
| C6 | O | C8 | 60.9° | 64.8° |
| O | C6 | C5 | 114.2° | 115.8° |
| O | C6 | C8 | 59.2° | 57.7° |
| O | C8 | C6 | 59.9° | 57.5° |
| O | C8 | C9 | 115.2° | 120.1° |
| O | C8 | H9 | 116.8° | 116.3° |
| C5 | C6 | C8 | 119.6° | 120.5° |
| C6 | C5 | C4 | 111.5° | 110.5° |
| C6 | C5 | H13 | 109.0° | 109.4° |
| C6 | C5 | H14 | 109.0° | 109.4° |
| C6 | C8 | C9 | 121.5° | 119.9° |
| C6 | C8 | H9 | 116.3° | 116.3° |
| C5 | C4 | C3 | 105.1° | 108.8° |
| C4 | C5 | H13 | 109.0° | 109.5° |
| C4 | C5 | H14 | 108.9° | 108.8° |
| C5 | C4 | H15 | 110.6° | 109.6° |
| C5 | C4 | H16 | 110.6° | 109.6° |
| C8 | C9 | C3 | 107.1° | 110.5° |
| C8 | C9 | H7 | 110.1° | 109.3° |
| C8 | C9 | H8 | 110.1° | 109.2° |
| C9 | C8 | H9 | 115.6° | 114.8° |
| C4 | C3 | C9 | 109.9° | 108.6° |
| C4 | C3 | C1 | 111.9° | 109.6° |
| C4 | C3 | H6 | 106.8° | 109.8° |
| C3 | C4 | H15 | 110.6° | 110.0° |
| C3 | C4 | H16 | 110.6° | 109.0° |
| C9 | C3 | C1 | 115.0° | 109.6° |
| C9 | C3 | H6 | 106.2° | 109.6° |
| C3 | C9 | H7 | 110.1° | 109.3° |
| C3 | C9 | H8 | 110.1° | 109.3° |
| C3 | C1 | C | 112.8° | 120.0° |
| C3 | C1 | C2 | 123.7° | 120.0° |
| C1 | C3 | H6 | 106.5° | 109.6° |
| C | C1 | C2 | 123.5° | 120.0° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| H1 | C2 | H2 | 120.0° | 120.0° |
| H3 | C | H4 | 109.4° | 109.4° |
| H3 | C | H5 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.3° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H13 | C5 | H14 | 109.5° | 109.2° |
| H15 | C4 | H16 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | O | C5 | 135.1° | 142.3° |
| C7 | C6 | O | C8 | 113.7° | 106.5° |
| C7 | C6 | C5 | C8 | 159.1° | 150.8° |
| C7 | C6 | C5 | C4 | 141.0° | 129.6° |
| C7 | C6 | C8 | C9 | 157.3° | 144.6° |
| C7 | C6 | C8 | H9 | 7.2° | 0.9° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H12 | 120.0° | 120.0° |
| C6 | C7 | H11 | H12 | 120.0° | 120.0° |
| C7 | C6 | C5 | H13 | 20.7° | 9.0° |
| C7 | C6 | C5 | H14 | 98.7° | 110.7° |
| O | C6 | C5 | C8 | 67.0° | 66.1° |
| O | C6 | C5 | C4 | 85.1° | 87.3° |
| C6 | O | C8 | C9 | 113.2° | 108.3° |
| C6 | O | C8 | H9 | 106.3° | 105.7° |
| O | C6 | C7 | H10 | 180.0° | 111.4° |
| O | C6 | C7 | H11 | 60.0° | 128.6° |
| O | C6 | C7 | H12 | 60.0° | 8.6° |
| O | C6 | C5 | H13 | 154.6° | 152.0° |
| O | C6 | C5 | H14 | 35.1° | 32.4° |
| O | C8 | C9 | H9 | 141.0° | 146.4° |
| O | C8 | C9 | C3 | 49.6° | 45.2° |
| O | C8 | C9 | H7 | 70.0° | 165.5° |
| O | C8 | C9 | H8 | 169.3° | 75.0° |
| C6 | C5 | C4 | H13 | 120.3° | 120.6° |
| C6 | C5 | C4 | H14 | 120.3° | 120.1° |
| C5 | C6 | C8 | C9 | 0.6° | 5.6° |
| C6 | C5 | C4 | C3 | 53.9° | 53.9° |
| C5 | C6 | C8 | H9 | 150.7° | 151.2° |
| C5 | C6 | C7 | H10 | 45.6° | 31.0° |
| C5 | C6 | C7 | H11 | 165.6° | 89.0° |
| C5 | C6 | C7 | H12 | 74.4° | 151.1° |
| C6 | C5 | H13 | H14 | 119.1° | 119.7° |
| C6 | C5 | C4 | H15 | 65.3° | 174.3° |
| C6 | C5 | C4 | H16 | 173.3° | 65.1° |
| C8 | C6 | C5 | C4 | 18.1° | 21.2° |
| C6 | C8 | C9 | H9 | 150.3° | 146.0° |
| C6 | C8 | C9 | C3 | 19.1° | 22.3° |
| C6 | C8 | C9 | H7 | 138.7° | 98.0° |
| C6 | C8 | C9 | H8 | 100.5° | 142.5° |
| C8 | C6 | C7 | H10 | 113.1° | 177.2° |
| C8 | C6 | C7 | H11 | 6.8° | 62.7° |
| C8 | C6 | C7 | H12 | 126.8° | 57.2° |
| C8 | C6 | C5 | H13 | 138.4° | 141.8° |
| C8 | C6 | C5 | H14 | 102.2° | 98.6° |
| C5 | C4 | C3 | H15 | 119.3° | 120.2° |
| C5 | C4 | C3 | H16 | 119.3° | 119.4° |
| C5 | C4 | C3 | C9 | 78.1° | 74.0° |
| C5 | C4 | C3 | C1 | 152.8° | 166.3° |
| C5 | C4 | C3 | H6 | 36.6° | 45.9° |
| C4 | C5 | H13 | H14 | 119.0° | 119.0° |
| C5 | C4 | H15 | H16 | 122.0° | 120.4° |
| C8 | C9 | C3 | C4 | 58.3° | 55.1° |
| C8 | C9 | C3 | H7 | 119.6° | 120.3° |
| C8 | C9 | C3 | H8 | 119.6° | 120.2° |
| C8 | C9 | C3 | C1 | 174.3° | 174.8° |
| C8 | C9 | C3 | H6 | 56.8° | 64.9° |
| C8 | C9 | H7 | H8 | 121.1° | 119.4° |
| C4 | C3 | C9 | C1 | 127.3° | 119.7° |
| C4 | C3 | C9 | H6 | 115.2° | 120.0° |
| C4 | C3 | C1 | H6 | 116.3° | 120.5° |
| C4 | C3 | C1 | C | 147.5° | 59.2° |
| C4 | C3 | C1 | C2 | 32.3° | 120.9° |
| C4 | C3 | C9 | H7 | 177.9° | 65.2° |
| C4 | C3 | C9 | H8 | 61.3° | 175.2° |
| C3 | C4 | C5 | H13 | 174.3° | 174.5° |
| C3 | C4 | C5 | H14 | 66.3° | 66.2° |
| C3 | C4 | H15 | H16 | 122.1° | 119.9° |
| C9 | C3 | C1 | H6 | 117.3° | 120.4° |
| C9 | C3 | C1 | C | 86.1° | 60.0° |
| C9 | C3 | C1 | C2 | 94.1° | 120.0° |
| C3 | C9 | H7 | H8 | 121.1° | 119.6° |
| C3 | C9 | C8 | H9 | 169.4° | 168.3° |
| C9 | C3 | C4 | H15 | 41.1° | 165.8° |
| C9 | C3 | C4 | H16 | 162.6° | 45.4° |
| C3 | C1 | C | C2 | 179.8° | 180.0° |
| C3 | C1 | C2 | H1 | 179.7° | 179.9° |
| C3 | C1 | C2 | H2 | 0.2° | 0.3° |
| C3 | C1 | C | H3 | 180.0° | 89.9° |
| C3 | C1 | C | H4 | 60.0° | 30.0° |
| C3 | C1 | C | H5 | 60.0° | 150.0° |
| C1 | C3 | C9 | H7 | 54.7° | 54.5° |
| C1 | C3 | C9 | H8 | 66.0° | 65.1° |
| C1 | C3 | C4 | H15 | 87.9° | 46.2° |
| C1 | C3 | C4 | H16 | 33.5° | 74.3° |
| C | C1 | C2 | H1 | 0.0° | 0.0° |
| C | C1 | C2 | H2 | 180.0° | 179.7° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C | C1 | C3 | H6 | 31.2° | 179.7° |
| C1 | C2 | H1 | H2 | 180.0° | 179.7° |
| C2 | C1 | C | H3 | 0.2° | 90.0° |
| C2 | C1 | C | H4 | 119.8° | 150.0° |
| C2 | C1 | C | H5 | 120.2° | 30.0° |
| C2 | C1 | C3 | H6 | 148.6° | 0.4° |
| H3 | C | H4 | H5 | 120.0° | 120.0° |
| H6 | C3 | C9 | H7 | 62.8° | 174.8° |
| H6 | C3 | C9 | H8 | 176.5° | 55.3° |
| H6 | C3 | C4 | H15 | 155.9° | 74.3° |
| H6 | C3 | C4 | H16 | 82.7° | 165.3° |
| H7 | C9 | C8 | H9 | 71.0° | 48.1° |
| H8 | C9 | C8 | H9 | 49.8° | 71.4° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| H13 | C5 | C4 | H15 | 55.0° | 65.1° |
| H13 | C5 | C4 | H16 | 66.4° | 55.5° |
| H14 | C5 | C4 | H15 | 174.4° | 54.2° |
| H14 | C5 | C4 | H16 | 53.0° | 174.8° |
