GTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.55Å | |
| O15 | C14 | doub | 1.22Å | 1.12Å | |
| C18 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| O16 | C14 | sing | 1.34Å | 1.31Å | |
| O16 | C17 | sing | 1.35Å | 1.32Å | |
| C14 | C13 | sing | 1.41Å | 1.35Å | |
| C02 | C03 | sing | 1.39Å | 1.33Å | Aromatic |
| C17 | C06 | doub | 1.41Å | 1.34Å | Aromatic |
| C03 | C04 | doub | 1.37Å | 1.36Å | Aromatic |
| C13 | C07 | doub | 1.36Å | 1.37Å | |
| C06 | C04 | sing | 1.40Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.51Å | 1.49Å | |
| C07 | C08 | sing | 1.51Å | 1.49Å | |
| C08 | P09 | sing | 1.82Å | 1.89Å | |
| O12 | P09 | doub | 1.48Å | 1.51Å | |
| O11 | P09 | sing | 1.61Å | 1.56Å | |
| P09 | O10 | sing | 1.61Å | 1.26Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| O10 | H12 | sing | 0.97Å | 0.95Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C18 | 119.9° | 119.7° |
| C01 | C02 | C03 | 119.9° | 119.7° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| O15 | C14 | O16 | 116.0° | 119.1° |
| O15 | C14 | C13 | 126.7° | 119.2° |
| C02 | C18 | C17 | 120.2° | 119.8° |
| C18 | C02 | C03 | 120.3° | 120.6° |
| C02 | C18 | H11 | 119.9° | 120.1° |
| C18 | C17 | O16 | 114.7° | 120.8° |
| C18 | C17 | C06 | 120.5° | 119.4° |
| C17 | C18 | H11 | 119.9° | 120.0° |
| C14 | O16 | C17 | 122.2° | 121.5° |
| O16 | C14 | C13 | 117.3° | 121.7° |
| O16 | C17 | C06 | 124.8° | 119.8° |
| C14 | C13 | C07 | 122.8° | 119.8° |
| C14 | C13 | H10 | 118.6° | 120.1° |
| C02 | C03 | C04 | 121.0° | 120.6° |
| C02 | C03 | H4 | 119.5° | 119.7° |
| C17 | C06 | C04 | 117.8° | 119.9° |
| C17 | C06 | C07 | 114.5° | 119.0° |
| C03 | C04 | C06 | 120.3° | 119.7° |
| C03 | C04 | C05 | 114.6° | 120.2° |
| C04 | C03 | H4 | 119.5° | 119.7° |
| C13 | C07 | C06 | 118.1° | 118.1° |
| C13 | C07 | C08 | 117.1° | 121.0° |
| C07 | C13 | H10 | 118.6° | 120.1° |
| C04 | C06 | C07 | 127.7° | 121.0° |
| C06 | C04 | C05 | 125.1° | 120.1° |
| C06 | C07 | C08 | 124.7° | 120.9° |
| C04 | C05 | H5 | 109.5° | 109.4° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.5° | 109.4° |
| C07 | C08 | P09 | 113.6° | 109.5° |
| C07 | C08 | H8 | 108.4° | 109.4° |
| C07 | C08 | H9 | 108.4° | 109.5° |
| C08 | P09 | O12 | 109.1° | 109.5° |
| C08 | P09 | O11 | 107.2° | 109.5° |
| C08 | P09 | O10 | 106.9° | 109.5° |
| P09 | C08 | H8 | 108.5° | 109.4° |
| P09 | C08 | H9 | 108.5° | 109.5° |
| O12 | P09 | O11 | 113.3° | 109.5° |
| O12 | P09 | O10 | 112.4° | 109.4° |
| O11 | P09 | O10 | 107.7° | 109.4° |
| P09 | O11 | H13 | 109.5° | 114.0° |
| P09 | O10 | H12 | 109.5° | 113.9° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H5 | C05 | H7 | 109.5° | 109.4° |
| H6 | C05 | H7 | 109.4° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C18 | C03 | 179.9° | 179.7° |
| C01 | C02 | C18 | C17 | 179.5° | 179.7° |
| C01 | C02 | C03 | C04 | 179.2° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.8° | 0.0° |
| C01 | C02 | C18 | H11 | 0.5° | 0.0° |
| O15 | C14 | O16 | C13 | 179.6° | 179.9° |
| O15 | C14 | O16 | C17 | 174.1° | 180.0° |
| O15 | C14 | C13 | C07 | 173.2° | 180.0° |
| O15 | C14 | C13 | H10 | 6.8° | 0.1° |
| C02 | C18 | C17 | H11 | 180.0° | 179.7° |
| C02 | C18 | C17 | O16 | 179.6° | 179.8° |
| C02 | C18 | C17 | C06 | 0.5° | 0.5° |
| C18 | C02 | C03 | C04 | 0.6° | 0.3° |
| C18 | C02 | C01 | H1 | 90.1° | 90.2° |
| C18 | C02 | C01 | H2 | 149.9° | 29.7° |
| C18 | C02 | C01 | H3 | 29.9° | 149.7° |
| C18 | C02 | C03 | H4 | 179.4° | 179.7° |
| C18 | C17 | O16 | C14 | 178.0° | 179.8° |
| C18 | C17 | O16 | C06 | 179.9° | 179.7° |
| C17 | C18 | C02 | C03 | 0.4° | 0.6° |
| C18 | C17 | C06 | C04 | 0.9° | 0.2° |
| C18 | C17 | C06 | C07 | 178.5° | 179.7° |
| C14 | O16 | C17 | C06 | 2.1° | 0.1° |
| O16 | C14 | C13 | C07 | 7.3° | 0.1° |
| O16 | C14 | C13 | H10 | 172.7° | 180.0° |
| C17 | O16 | C14 | C13 | 6.3° | 0.1° |
| O16 | C17 | C06 | C04 | 179.2° | 179.9° |
| O16 | C17 | C06 | C07 | 1.4° | 0.0° |
| O16 | C17 | C18 | H11 | 0.4° | 0.1° |
| C14 | C13 | C07 | H10 | 180.0° | 179.9° |
| C14 | C13 | C07 | C06 | 3.9° | 0.1° |
| C14 | C13 | C07 | C08 | 178.6° | 180.0° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | C06 | 1.0° | 0.0° |
| C02 | C03 | C04 | C05 | 179.9° | 180.0° |
| C03 | C02 | C01 | H1 | 90.1° | 90.0° |
| C03 | C02 | C01 | H2 | 29.9° | 150.0° |
| C03 | C02 | C01 | H3 | 149.9° | 30.0° |
| C03 | C02 | C18 | H11 | 179.6° | 179.7° |
| C17 | C06 | C04 | C03 | 1.1° | 0.0° |
| C17 | C06 | C07 | C13 | 0.5° | 0.0° |
| C17 | C06 | C04 | C07 | 179.3° | 180.0° |
| C17 | C06 | C04 | C05 | 179.9° | 180.0° |
| C17 | C06 | C07 | C08 | 176.8° | 179.9° |
| C06 | C17 | C18 | H11 | 179.5° | 179.7° |
| C03 | C04 | C06 | C05 | 178.9° | 180.0° |
| C03 | C04 | C06 | C07 | 178.2° | 180.0° |
| C03 | C04 | C05 | H5 | 89.6° | 101.7° |
| C03 | C04 | C05 | H6 | 150.4° | 138.2° |
| C03 | C04 | C05 | H7 | 30.4° | 18.2° |
| C13 | C07 | C06 | C04 | 179.8° | 179.9° |
| C13 | C07 | C06 | C08 | 177.3° | 179.9° |
| C13 | C07 | C08 | P09 | 80.9° | 8.9° |
| C13 | C07 | C08 | H8 | 158.4° | 111.0° |
| C13 | C07 | C08 | H9 | 39.7° | 128.9° |
| C04 | C06 | C07 | C08 | 2.5° | 0.0° |
| C06 | C04 | C03 | H4 | 179.0° | 180.0° |
| C06 | C04 | C05 | H5 | 89.4° | 78.3° |
| C06 | C04 | C05 | H6 | 30.6° | 41.7° |
| C06 | C04 | C05 | H7 | 150.6° | 161.8° |
| C07 | C06 | C04 | C05 | 0.8° | 0.0° |
| C06 | C07 | C08 | P09 | 101.7° | 171.0° |
| C06 | C07 | C08 | H8 | 18.9° | 69.1° |
| C06 | C07 | C08 | H9 | 137.6° | 50.9° |
| C06 | C07 | C13 | H10 | 176.0° | 180.0° |
| C05 | C04 | C03 | H4 | 0.1° | 0.0° |
| C04 | C05 | H5 | H6 | 120.0° | 120.1° |
| C04 | C05 | H5 | H7 | 120.0° | 119.9° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| C07 | C08 | P09 | H8 | 120.6° | 119.9° |
| C07 | C08 | P09 | H9 | 120.6° | 120.1° |
| C07 | C08 | P09 | O12 | 65.3° | 55.0° |
| C07 | C08 | P09 | O11 | 57.7° | 175.0° |
| C07 | C08 | P09 | O10 | 173.0° | 65.0° |
| C07 | C08 | H8 | H9 | 118.1° | 120.0° |
| C08 | C07 | C13 | H10 | 1.4° | 0.2° |
| C08 | P09 | O12 | O11 | 119.2° | 120.1° |
| C08 | P09 | O12 | O10 | 118.4° | 120.0° |
| C08 | P09 | O11 | O10 | 114.7° | 120.0° |
| P09 | C08 | H8 | H9 | 118.2° | 120.0° |
| C08 | P09 | O10 | H12 | 119.7° | 60.0° |
| C08 | P09 | O11 | H13 | 120.3° | 180.0° |
| O12 | P09 | O11 | O10 | 124.9° | 119.9° |
| O12 | P09 | C08 | H8 | 174.1° | 174.9° |
| O12 | P09 | C08 | H9 | 55.4° | 65.1° |
| O12 | P09 | O10 | H12 | 0.0° | 180.0° |
| O12 | P09 | O11 | H13 | 0.0° | 60.0° |
| O11 | P09 | C08 | H8 | 62.9° | 65.0° |
| O11 | P09 | C08 | H9 | 178.3° | 55.0° |
| O11 | P09 | O10 | H12 | 125.4° | 60.0° |
| O10 | P09 | C08 | H8 | 52.4° | 55.0° |
| O10 | P09 | C08 | H9 | 66.4° | 175.0° |
| O10 | P09 | O11 | H13 | 124.9° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C05 | H6 | H7 | 120.0° | 120.0° |
