E9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| O14 | C03 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.49Å | 1.54Å | |
| C02 | O15 | sing | 1.35Å | 1.26Å | |
| C03 | N04 | sing | 1.35Å | 1.46Å | |
| N04 | O05 | sing | 1.42Å | 1.40Å | |
| N04 | C06 | sing | 1.47Å | 1.45Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| O05 | H10 | sing | 0.97Å | 0.95Å | |
| O15 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 119.9° | 120.0° |
| O01 | C02 | O15 | 118.7° | 120.0° |
| O14 | C03 | C02 | 118.5° | 120.0° |
| O14 | C03 | N04 | 118.5° | 120.0° |
| C03 | C02 | O15 | 121.4° | 120.0° |
| C02 | C03 | N04 | 123.0° | 120.0° |
| C02 | O15 | H11 | 109.5° | 117.0° |
| C03 | N04 | O05 | 118.0° | 120.0° |
| C03 | N04 | C06 | 122.1° | 120.0° |
| O05 | N04 | C06 | 119.8° | 120.0° |
| N04 | O05 | H10 | 109.5° | 114.0° |
| N04 | C06 | C07 | 104.9° | 109.4° |
| N04 | C06 | C08 | 117.7° | 109.5° |
| N04 | C06 | H5 | 110.6° | 109.5° |
| C07 | C06 | C08 | 103.7° | 109.5° |
| C07 | C06 | H5 | 109.6° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.4° | 109.5° |
| C06 | C08 | C09 | 119.3° | 120.0° |
| C06 | C08 | C13 | 120.3° | 120.0° |
| C08 | C06 | H5 | 109.7° | 109.5° |
| C09 | C08 | C13 | 120.2° | 120.0° |
| C08 | C09 | C10 | 120.6° | 120.0° |
| C08 | C09 | H9 | 119.7° | 120.0° |
| C08 | C13 | C12 | 119.4° | 120.0° |
| C08 | C13 | H4 | 120.3° | 120.0° |
| C09 | C10 | C11 | 119.4° | 120.0° |
| C09 | C10 | H1 | 120.3° | 119.9° |
| C10 | C09 | H9 | 119.7° | 120.0° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H3 | 119.9° | 120.0° |
| C12 | C13 | H4 | 120.3° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C11 | C10 | H1 | 120.3° | 120.0° |
| C10 | C11 | H2 | 119.9° | 120.0° |
| C12 | C11 | H2 | 119.9° | 120.0° |
| C11 | C12 | H3 | 119.9° | 120.0° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | O14 | 26.9° | 180.0° |
| O01 | C02 | C03 | O15 | 179.1° | 180.0° |
| O01 | C02 | C03 | N04 | 154.7° | 0.1° |
| O01 | C02 | O15 | H11 | 0.0° | 0.0° |
| O14 | C03 | C02 | N04 | 178.3° | 179.9° |
| O14 | C03 | C02 | O15 | 152.1° | 0.0° |
| O14 | C03 | N04 | O05 | 1.4° | 174.8° |
| O14 | C03 | N04 | C06 | 178.4° | 5.2° |
| C02 | C03 | N04 | O05 | 179.8° | 5.2° |
| C02 | C03 | N04 | C06 | 3.2° | 174.8° |
| C03 | C02 | O15 | H11 | 179.1° | 180.0° |
| O15 | C02 | C03 | N04 | 26.2° | 180.0° |
| C03 | N04 | O05 | C06 | 177.1° | 180.0° |
| C03 | N04 | C06 | C07 | 69.2° | 125.1° |
| C03 | N04 | C06 | C08 | 176.2° | 114.9° |
| C03 | N04 | C06 | H5 | 48.9° | 5.1° |
| C03 | N04 | O05 | H10 | 0.6° | 174.3° |
| O05 | N04 | C06 | C07 | 107.8° | 54.9° |
| O05 | N04 | C06 | C08 | 6.9° | 65.1° |
| O05 | N04 | C06 | H5 | 134.1° | 174.9° |
| N04 | C06 | C07 | C08 | 124.0° | 120.0° |
| N04 | C06 | C07 | H5 | 118.8° | 120.0° |
| N04 | C06 | C08 | H5 | 127.7° | 120.0° |
| N04 | C06 | C08 | C09 | 52.1° | 121.0° |
| N04 | C06 | C08 | C13 | 132.4° | 59.5° |
| N04 | C06 | C07 | H6 | 180.0° | 60.0° |
| N04 | C06 | C07 | H7 | 60.0° | 180.0° |
| N04 | C06 | C07 | H8 | 60.0° | 60.0° |
| C06 | N04 | O05 | H10 | 177.7° | 5.6° |
| C07 | C06 | C08 | H5 | 117.0° | 120.0° |
| C07 | C06 | C08 | C09 | 63.2° | 119.0° |
| C07 | C06 | C08 | C13 | 112.3° | 60.4° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C06 | C08 | C09 | C13 | 175.5° | 179.4° |
| C06 | C08 | C09 | C10 | 178.5° | 180.0° |
| C06 | C08 | C13 | C12 | 177.9° | 179.7° |
| C06 | C08 | C13 | H4 | 2.1° | 0.2° |
| C08 | C06 | C07 | H6 | 56.0° | 60.0° |
| C08 | C06 | C07 | H7 | 175.9° | 60.0° |
| C08 | C06 | C07 | H8 | 64.0° | 180.0° |
| C06 | C08 | C09 | H9 | 1.5° | 0.0° |
| C08 | C09 | C10 | H9 | 180.0° | 180.0° |
| C09 | C08 | C13 | C12 | 2.4° | 0.2° |
| C08 | C09 | C10 | C11 | 1.9° | 0.6° |
| C08 | C09 | C10 | H1 | 178.1° | 179.7° |
| C09 | C08 | C13 | H4 | 177.6° | 179.7° |
| C09 | C08 | C06 | H5 | 179.7° | 1.0° |
| C13 | C08 | C09 | C10 | 3.0° | 0.6° |
| C08 | C13 | C12 | H4 | 180.0° | 179.9° |
| C08 | C13 | C12 | C11 | 0.9° | 0.1° |
| C08 | C13 | C12 | H3 | 179.1° | 180.0° |
| C13 | C08 | C06 | H5 | 4.7° | 179.6° |
| C13 | C08 | C09 | H9 | 177.0° | 179.4° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C09 | C10 | C11 | H2 | 179.6° | 179.7° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H3 | 180.0° | 179.9° |
| C13 | C12 | C11 | H2 | 179.9° | 179.9° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | H3 | 179.8° | 179.9° |
| C11 | C10 | C09 | H9 | 178.1° | 179.3° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C12 | C13 | H4 | 179.1° | 180.0° |
| H1 | C10 | C11 | H2 | 0.3° | 0.1° |
| H1 | C10 | C09 | H9 | 1.9° | 0.3° |
| H2 | C11 | C12 | H3 | 0.1° | 0.0° |
| H3 | C12 | C13 | H4 | 0.9° | 0.1° |
| H5 | C06 | C07 | H6 | 61.2° | 180.0° |
| H5 | C06 | C07 | H7 | 58.8° | 60.0° |
| H5 | C06 | C07 | H8 | 178.8° | 60.0° |
| H6 | C07 | H7 | H8 | 120.0° | 120.0° |
