GNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
| O12 | S09 | doub | 1.42Å | 1.51Å | |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.82Å | |
| C08 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| S09 | O11 | doub | 1.42Å | 1.50Å | |
| S09 | O10 | sing | 1.52Å | 1.50Å | |
| C16 | C07 | sing | 1.42Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.41Å | 1.41Å | Aromatic |
| C07 | N06 | doub | 1.34Å | 1.34Å | Aromatic |
| O18 | C17 | sing | 1.35Å | 1.19Å | |
| C17 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.31Å | 1.32Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.53Å | |
| C02 | O01 | doub | 1.22Å | 1.25Å | |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| O03 | H6 | sing | 0.97Å | 0.95Å | |
| O10 | H3 | sing | 0.97Å | 0.95Å | |
| O18 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 120.1° | 120.8° |
| C14 | C13 | C08 | 119.9° | 121.0° |
| C14 | C13 | H1 | 120.1° | 119.5° |
| C13 | C14 | H5 | 119.9° | 119.6° |
| C14 | C15 | C16 | 119.8° | 119.7° |
| C14 | C15 | H2 | 120.1° | 120.2° |
| C15 | C14 | H5 | 120.0° | 119.6° |
| C13 | C08 | S09 | 120.7° | 120.1° |
| C13 | C08 | C07 | 119.9° | 119.8° |
| C08 | C13 | H1 | 120.1° | 119.5° |
| O12 | S09 | C08 | 109.0° | 106.4° |
| O12 | S09 | O11 | 103.0° | 123.2° |
| O12 | S09 | O10 | 112.4° | 106.4° |
| C15 | C16 | C07 | 119.8° | 119.7° |
| C15 | C16 | C17 | 120.8° | 121.2° |
| C16 | C15 | H2 | 120.1° | 120.2° |
| S09 | C08 | C07 | 119.4° | 120.1° |
| C08 | S09 | O11 | 110.0° | 106.4° |
| C08 | S09 | O10 | 109.0° | 107.2° |
| C08 | C07 | C16 | 120.5° | 119.0° |
| C08 | C07 | N06 | 118.2° | 120.8° |
| O11 | S09 | O10 | 113.2° | 106.4° |
| S09 | O10 | H3 | 109.5° | 114.0° |
| C07 | C16 | C17 | 119.5° | 119.1° |
| C16 | C07 | N06 | 121.4° | 120.2° |
| C16 | C17 | O18 | 120.8° | 121.1° |
| C16 | C17 | C04 | 117.8° | 117.8° |
| C07 | N06 | C05 | 120.5° | 122.0° |
| O18 | C17 | C04 | 121.5° | 121.1° |
| C17 | O18 | H7 | 109.5° | 114.0° |
| C17 | C04 | C05 | 119.1° | 119.3° |
| C17 | C04 | C02 | 121.9° | 120.3° |
| N06 | C05 | C04 | 121.9° | 121.6° |
| N06 | C05 | H4 | 119.0° | 119.2° |
| C05 | C04 | C02 | 119.0° | 120.4° |
| C04 | C05 | H4 | 119.1° | 119.2° |
| C04 | C02 | O01 | 121.3° | 120.0° |
| C04 | C02 | O03 | 119.0° | 120.0° |
| O01 | C02 | O03 | 119.5° | 119.9° |
| C02 | O03 | H6 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C14 | C13 | C08 | H1 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C14 | C13 | C08 | S09 | 179.6° | 179.7° |
| C14 | C13 | C08 | C07 | 0.0° | 0.3° |
| C13 | C14 | C15 | H2 | 179.3° | 179.8° |
| C15 | C14 | C13 | C08 | 0.5° | 0.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.8° |
| C14 | C15 | C16 | C07 | 0.3° | 0.3° |
| C14 | C15 | C16 | C17 | 179.5° | 179.8° |
| C15 | C14 | C13 | H1 | 179.5° | 179.7° |
| C13 | C08 | S09 | O12 | 4.5° | 83.6° |
| C13 | C08 | S09 | C07 | 179.6° | 180.0° |
| C13 | C08 | S09 | O11 | 116.7° | 143.5° |
| C13 | C08 | S09 | O10 | 118.5° | 30.0° |
| C13 | C08 | C07 | C16 | 0.4° | 0.5° |
| C13 | C08 | C07 | N06 | 179.5° | 180.0° |
| C08 | C13 | C14 | H5 | 179.5° | 180.0° |
| O12 | S09 | C08 | O11 | 112.2° | 132.9° |
| O12 | S09 | C08 | O10 | 123.1° | 113.5° |
| O12 | S09 | C08 | C07 | 175.9° | 96.4° |
| O12 | S09 | O11 | O10 | 121.6° | 122.9° |
| O12 | S09 | O10 | H3 | 0.0° | 66.5° |
| C15 | C16 | C07 | C08 | 0.2° | 0.5° |
| C15 | C16 | C07 | C17 | 179.8° | 179.9° |
| C15 | C16 | C07 | N06 | 179.6° | 180.0° |
| C15 | C16 | C17 | O18 | 0.2° | 0.5° |
| C15 | C16 | C17 | C04 | 179.6° | 179.9° |
| C16 | C15 | C14 | H5 | 179.3° | 180.0° |
| C08 | S09 | O11 | O10 | 122.2° | 114.1° |
| S09 | C08 | C07 | C16 | 180.0° | 179.5° |
| S09 | C08 | C07 | N06 | 0.1° | 0.0° |
| S09 | C08 | C13 | H1 | 0.4° | 0.0° |
| C08 | S09 | O10 | H3 | 121.0° | 180.0° |
| C07 | C08 | S09 | O11 | 63.6° | 36.5° |
| C07 | C08 | S09 | O10 | 61.1° | 150.0° |
| C08 | C07 | C16 | N06 | 179.9° | 179.5° |
| C08 | C07 | C16 | C17 | 179.9° | 179.5° |
| C08 | C07 | N06 | C05 | 180.0° | 180.0° |
| C07 | C08 | C13 | H1 | 180.0° | 180.0° |
| O11 | S09 | O10 | H3 | 116.2° | 66.5° |
| C07 | C16 | C17 | O18 | 179.6° | 179.6° |
| C07 | C16 | C17 | C04 | 0.2° | 0.0° |
| C16 | C07 | N06 | C05 | 0.2° | 0.5° |
| C07 | C16 | C15 | H2 | 179.7° | 180.0° |
| C17 | C16 | C07 | N06 | 0.2° | 0.1° |
| C16 | C17 | O18 | C04 | 179.4° | 179.6° |
| C16 | C17 | C04 | C05 | 0.2° | 0.4° |
| C16 | C17 | C04 | C02 | 178.3° | 180.0° |
| C17 | C16 | C15 | H2 | 0.5° | 0.0° |
| C16 | C17 | O18 | H7 | 178.5° | 89.6° |
| C07 | N06 | C05 | C04 | 0.1° | 1.0° |
| C07 | N06 | C05 | H4 | 179.9° | 180.0° |
| O18 | C17 | C04 | C05 | 179.6° | 180.0° |
| O18 | C17 | C04 | C02 | 2.2° | 0.4° |
| C17 | C04 | C05 | N06 | 0.1° | 0.9° |
| C17 | C04 | C05 | C02 | 178.2° | 179.6° |
| C17 | C04 | C02 | O01 | 7.4° | 0.0° |
| C17 | C04 | C02 | O03 | 168.4° | 180.0° |
| C17 | C04 | C05 | H4 | 179.9° | 180.0° |
| C04 | C17 | O18 | H7 | 0.9° | 90.0° |
| N06 | C05 | C04 | H4 | 180.0° | 179.1° |
| N06 | C05 | C04 | C02 | 178.4° | 179.5° |
| C05 | C04 | C02 | O01 | 174.4° | 179.6° |
| C05 | C04 | C02 | O03 | 9.8° | 0.4° |
| C04 | C02 | O01 | O03 | 175.8° | 180.0° |
| C02 | C04 | C05 | H4 | 1.6° | 0.4° |
| C04 | C02 | O03 | H6 | 175.9° | 180.0° |
| O01 | C02 | O03 | H6 | 0.0° | 0.0° |
| H1 | C13 | C14 | H5 | 0.6° | 0.3° |
| H2 | C15 | C14 | H5 | 0.7° | 0.2° |
