GOR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.35Å | 1.37Å | Aromatic |
| C15 | C3 | doub | 1.47Å | 1.48Å | Aromatic |
| O4 | N | doub | 1.22Å | 1.22Å | |
| C8 | N | sing | 1.48Å | 1.47Å | |
| C8 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| N | O5 | sing | 1.22Å | 1.22Å | |
| C3 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| O1 | C | sing | 1.44Å | 1.44Å | |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C7 | sing | 1.47Å | 1.51Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C | O | sing | 1.44Å | 1.42Å | |
| O2 | C7 | doub | 1.22Å | 1.25Å | |
| C1 | C6 | sing | 1.39Å | 1.36Å | Aromatic |
| C1 | O | sing | 1.37Å | 1.39Å | |
| C7 | O3 | sing | 1.35Å | 1.25Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.4° | 120.9° |
| C12 | C11 | C10 | 120.5° | 119.7° |
| C12 | C11 | H3 | 119.7° | 120.1° |
| C11 | C12 | H4 | 119.8° | 119.6° |
| C12 | C13 | C14 | 120.6° | 120.7° |
| C13 | C12 | H4 | 119.8° | 119.5° |
| C12 | C13 | H5 | 119.8° | 119.6° |
| C11 | C10 | C9 | 121.1° | 121.1° |
| C11 | C10 | C15 | 119.5° | 119.2° |
| C10 | C11 | H3 | 119.7° | 120.2° |
| C13 | C14 | C15 | 121.5° | 119.7° |
| C14 | C13 | H5 | 119.7° | 119.6° |
| C13 | C14 | H6 | 119.2° | 120.2° |
| C9 | C10 | C15 | 119.3° | 119.8° |
| C10 | C9 | C8 | 121.5° | 121.3° |
| C10 | C9 | H8 | 119.2° | 119.3° |
| C10 | C15 | C14 | 117.5° | 119.7° |
| C10 | C15 | C3 | 119.3° | 118.8° |
| C14 | C15 | C3 | 123.2° | 121.5° |
| C15 | C14 | H6 | 119.3° | 120.1° |
| C9 | C8 | N | 113.8° | 119.2° |
| C9 | C8 | C4 | 123.3° | 121.5° |
| C8 | C9 | H8 | 119.2° | 119.3° |
| C15 | C3 | C4 | 119.8° | 118.7° |
| C15 | C3 | C2 | 123.6° | 121.3° |
| O4 | N | C8 | 118.1° | 120.0° |
| O4 | N | O5 | 122.9° | 120.0° |
| N | C8 | C4 | 122.1° | 119.3° |
| C8 | N | O5 | 118.9° | 120.0° |
| C8 | C4 | C3 | 116.5° | 120.0° |
| C8 | C4 | C5 | 124.0° | 120.8° |
| C4 | C3 | C2 | 116.5° | 120.1° |
| C3 | C4 | C5 | 119.5° | 119.2° |
| C3 | C2 | O1 | 126.1° | 131.4° |
| C3 | C2 | C1 | 120.9° | 119.9° |
| C4 | C5 | C7 | 124.6° | 120.3° |
| C4 | C5 | C6 | 120.6° | 119.6° |
| C2 | O1 | C | 105.0° | 105.5° |
| O1 | C2 | C1 | 111.2° | 108.8° |
| O1 | C | O | 108.1° | 103.6° |
| O1 | C | H1 | 109.8° | 110.6° |
| O1 | C | H2 | 109.8° | 110.8° |
| C2 | C1 | C6 | 123.0° | 120.5° |
| C2 | C1 | O | 108.7° | 108.5° |
| C7 | C5 | C6 | 114.0° | 120.2° |
| C5 | C7 | O2 | 118.0° | 119.9° |
| C5 | C7 | O3 | 116.9° | 120.0° |
| C5 | C6 | C1 | 119.1° | 120.7° |
| C5 | C6 | H7 | 120.4° | 119.6° |
| C | O | C1 | 105.2° | 105.5° |
| O | C | H1 | 109.8° | 110.6° |
| O | C | H2 | 109.8° | 110.6° |
| O2 | C7 | O3 | 125.0° | 120.0° |
| C6 | C1 | O | 128.2° | 131.0° |
| C1 | C6 | H7 | 120.4° | 119.7° |
| C7 | O3 | H9 | 109.5° | 117.1° |
| H1 | C | H2 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C12 | C11 | C10 | C9 | 178.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.5° | 0.1° |
| C11 | C12 | C13 | H5 | 179.4° | 180.0° |
| C13 | C12 | C11 | C10 | 0.9° | 0.1° |
| C12 | C13 | C14 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | C11 | H3 | 179.1° | 180.0° |
| C12 | C13 | C14 | H6 | 179.8° | 180.0° |
| C11 | C10 | C9 | C15 | 178.5° | 180.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.1° |
| C11 | C10 | C9 | C8 | 177.8° | 180.0° |
| C11 | C10 | C15 | C3 | 177.5° | 179.9° |
| C10 | C11 | C12 | H4 | 179.1° | 180.0° |
| C11 | C10 | C9 | H8 | 2.2° | 0.0° |
| C13 | C14 | C15 | C10 | 0.6° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C3 | 177.0° | 180.0° |
| C14 | C13 | C12 | H4 | 179.4° | 179.9° |
| C9 | C10 | C15 | C14 | 178.8° | 179.9° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C10 | C15 | C3 | 1.0° | 0.1° |
| C10 | C9 | C8 | N | 167.8° | 180.0° |
| C10 | C9 | C8 | C4 | 2.3° | 0.1° |
| C9 | C10 | C11 | H3 | 2.0° | 0.1° |
| C10 | C15 | C14 | C3 | 177.6° | 180.0° |
| C15 | C10 | C9 | C8 | 0.7° | 0.1° |
| C10 | C15 | C3 | C4 | 1.4° | 0.2° |
| C10 | C15 | C3 | C2 | 176.5° | 179.8° |
| C15 | C10 | C11 | H3 | 179.5° | 179.9° |
| C10 | C15 | C14 | H6 | 179.4° | 180.0° |
| C15 | C10 | C9 | H8 | 179.3° | 180.0° |
| C14 | C15 | C3 | C4 | 176.1° | 179.9° |
| C14 | C15 | C3 | C2 | 5.9° | 0.2° |
| C15 | C14 | C13 | H5 | 179.8° | 180.0° |
| C9 | C8 | N | O4 | 41.2° | 65.7° |
| C9 | C8 | N | C4 | 170.2° | 179.9° |
| C9 | C8 | N | O5 | 134.3° | 114.1° |
| C9 | C8 | C4 | C3 | 4.6° | 0.0° |
| C9 | C8 | C4 | C5 | 177.1° | 179.9° |
| C15 | C3 | C4 | C8 | 4.1° | 0.1° |
| C15 | C3 | C4 | C2 | 178.1° | 179.9° |
| C15 | C3 | C4 | C5 | 177.6° | 180.0° |
| C15 | C3 | C2 | O1 | 14.1° | 0.0° |
| C15 | C3 | C2 | C1 | 177.4° | 179.9° |
| C3 | C15 | C14 | H6 | 3.0° | 0.0° |
| O4 | N | C8 | O5 | 175.5° | 179.8° |
| O4 | N | C8 | C4 | 148.6° | 114.4° |
| N | C8 | C4 | C3 | 164.6° | 179.9° |
| N | C8 | C4 | C5 | 13.6° | 0.0° |
| N | C8 | C9 | H8 | 12.2° | 0.1° |
| C4 | C8 | N | O5 | 35.9° | 65.8° |
| C8 | C4 | C3 | C5 | 178.3° | 179.9° |
| C8 | C4 | C3 | C2 | 174.0° | 179.8° |
| C8 | C4 | C5 | C7 | 20.1° | 0.2° |
| C8 | C4 | C5 | C6 | 171.1° | 179.8° |
| C4 | C8 | C9 | H8 | 177.7° | 180.0° |
| C4 | C3 | C2 | O1 | 163.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | C7 | 161.7° | 179.9° |
| C3 | C4 | C5 | C6 | 7.1° | 0.1° |
| C2 | C3 | C4 | C5 | 4.3° | 0.1° |
| C3 | C2 | O1 | C1 | 164.7° | 179.9° |
| C3 | C2 | O1 | C | 164.5° | 162.5° |
| C3 | C2 | C1 | C6 | 3.3° | 0.1° |
| C3 | C2 | C1 | O | 173.8° | 179.9° |
| C4 | C5 | C7 | C6 | 169.5° | 180.0° |
| C4 | C5 | C7 | O2 | 39.5° | 65.2° |
| C4 | C5 | C6 | C1 | 4.5° | 0.0° |
| C4 | C5 | C7 | O3 | 140.6° | 114.8° |
| C4 | C5 | C6 | H7 | 175.5° | 179.9° |
| C2 | O1 | C | O | 8.3° | 27.3° |
| O1 | C2 | C1 | C6 | 168.9° | 179.9° |
| O1 | C2 | C1 | O | 8.3° | 0.0° |
| C2 | O1 | C | H1 | 111.5° | 145.8° |
| C2 | O1 | C | H2 | 128.1° | 91.3° |
| C | O1 | C2 | C1 | 0.2° | 17.4° |
| O1 | C | O | H1 | 119.8° | 118.5° |
| O1 | C | O | H2 | 119.8° | 118.7° |
| O1 | C | O | C1 | 13.1° | 27.3° |
| O1 | C | H1 | H2 | 120.6° | 123.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C2 | C1 | O | C | 13.0° | 17.4° |
| C2 | C1 | C6 | O | 176.6° | 179.9° |
| C2 | C1 | C6 | H7 | 179.3° | 180.0° |
| C5 | C7 | O2 | O3 | 179.9° | 180.0° |
| C7 | C5 | C6 | C1 | 165.4° | 180.0° |
| C7 | C5 | C6 | H7 | 14.6° | 0.1° |
| C5 | C7 | O3 | H9 | 179.8° | 180.0° |
| C6 | C5 | C7 | O2 | 129.9° | 114.8° |
| C5 | C6 | C1 | H7 | 180.0° | 179.9° |
| C5 | C6 | C1 | O | 175.9° | 180.0° |
| C6 | C5 | C7 | O3 | 49.9° | 65.2° |
| C | O | C1 | C6 | 164.0° | 162.7° |
| O | C | H1 | H2 | 120.6° | 122.8° |
| O2 | C7 | O3 | H9 | 0.0° | 0.0° |
| C1 | O | C | H1 | 106.7° | 145.7° |
| C1 | O | C | H2 | 132.8° | 91.5° |
| O | C1 | C6 | H7 | 4.2° | 0.1° |
| H3 | C11 | C12 | H4 | 0.9° | 0.1° |
| H4 | C12 | C13 | H5 | 0.6° | 0.1° |
| H5 | C13 | C14 | H6 | 0.2° | 0.0° |
