JMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.37Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.37Å | 1.44Å | Aromatic |
| C09 | C07 | sing | 1.48Å | 1.48Å | |
| C09 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.76Å | Aromatic |
| C05 | C04 | doub | 1.37Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | S08 | sing | 1.76Å | 1.78Å | Aromatic |
| C04 | C02 | sing | 1.46Å | 1.59Å | |
| O03 | C02 | doub | 1.22Å | 1.25Å | |
| C02 | O01 | sing | 1.35Å | 1.25Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.6° | 120.2° |
| C13 | C14 | C09 | 121.6° | 119.8° |
| C14 | C13 | H131 | 119.7° | 119.9° |
| C13 | C14 | H141 | 119.2° | 120.1° |
| C13 | C12 | C11 | 118.7° | 120.2° |
| C12 | C13 | H131 | 119.7° | 119.9° |
| C13 | C12 | H121 | 120.6° | 119.9° |
| C14 | C09 | C07 | 121.1° | 120.1° |
| C14 | C09 | C10 | 116.9° | 119.7° |
| C09 | C14 | H141 | 119.2° | 120.1° |
| C12 | C11 | C10 | 120.6° | 120.2° |
| C12 | C11 | H111 | 119.7° | 119.9° |
| C11 | C12 | H121 | 120.6° | 119.8° |
| C07 | C06 | C05 | 116.1° | 114.8° |
| C06 | C07 | C09 | 128.6° | 125.1° |
| C06 | C07 | S08 | 106.7° | 109.7° |
| C07 | C06 | H061 | 121.9° | 122.6° |
| C06 | C05 | C04 | 115.9° | 114.7° |
| C06 | C05 | H051 | 122.0° | 122.7° |
| C05 | C06 | H061 | 121.9° | 122.6° |
| C07 | C09 | C10 | 122.0° | 120.2° |
| C09 | C07 | S08 | 124.7° | 125.2° |
| C09 | C10 | C11 | 121.7° | 119.9° |
| C09 | C10 | H101 | 119.1° | 120.1° |
| C07 | S08 | C04 | 95.7° | 91.2° |
| C05 | C04 | S08 | 105.6° | 109.7° |
| C05 | C04 | C02 | 128.4° | 125.1° |
| C04 | C05 | H051 | 122.1° | 122.6° |
| C11 | C10 | H101 | 119.2° | 120.1° |
| C10 | C11 | H111 | 119.7° | 119.9° |
| S08 | C04 | C02 | 126.0° | 125.2° |
| C04 | C02 | O03 | 118.0° | 120.0° |
| C04 | C02 | O01 | 117.3° | 120.0° |
| O03 | C02 | O01 | 124.7° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C13 | C14 | C09 | H141 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.3° | 0.3° |
| C13 | C14 | C09 | C07 | 180.0° | 180.0° |
| C13 | C14 | C09 | C10 | 0.0° | 0.0° |
| C14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C12 | C13 | C14 | C09 | 0.2° | 0.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C13 | C12 | C11 | H111 | 179.8° | 179.9° |
| C12 | C13 | C14 | H141 | 179.8° | 179.9° |
| C14 | C09 | C07 | C06 | 26.5° | 0.0° |
| C14 | C09 | C07 | C10 | 179.9° | 180.0° |
| C14 | C09 | C07 | S08 | 153.9° | 180.0° |
| C14 | C09 | C10 | C11 | 0.0° | 0.3° |
| C14 | C09 | C10 | H101 | 180.0° | 180.0° |
| C09 | C14 | C13 | H131 | 179.8° | 180.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.3° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 179.9° | 179.9° |
| C11 | C12 | C13 | H131 | 179.7° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | C09 | S08 | 179.6° | 180.0° |
| C06 | C07 | C09 | C10 | 153.6° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C07 | S08 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | H051 | 179.8° | 180.0° |
| C05 | C06 | C07 | C09 | 179.9° | 180.0° |
| C05 | C06 | C07 | S08 | 0.2° | 0.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | S08 | 0.1° | 0.0° |
| C06 | C05 | C04 | C02 | 179.9° | 179.7° |
| C07 | C09 | C10 | C11 | 180.0° | 179.7° |
| C09 | C07 | S08 | C04 | 179.8° | 180.0° |
| C07 | C09 | C10 | H101 | 0.0° | 0.0° |
| C09 | C07 | C06 | H061 | 0.1° | 0.1° |
| C07 | C09 | C14 | H141 | 0.0° | 0.3° |
| C10 | C09 | C07 | S08 | 26.0° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.6° |
| C09 | C10 | C11 | H111 | 179.9° | 179.7° |
| C10 | C09 | C14 | H141 | 180.0° | 179.7° |
| C07 | S08 | C04 | C05 | 0.0° | 0.0° |
| C07 | S08 | C04 | C02 | 180.0° | 179.7° |
| S08 | C07 | C06 | H061 | 179.8° | 180.0° |
| C05 | C04 | S08 | C02 | 180.0° | 179.7° |
| C05 | C04 | C02 | O03 | 9.8° | 0.3° |
| C05 | C04 | C02 | O01 | 170.2° | 179.7° |
| C04 | C05 | C06 | H061 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 179.8° | 179.7° |
| S08 | C04 | C02 | O03 | 170.2° | 180.0° |
| S08 | C04 | C02 | O01 | 9.7° | 0.1° |
| S08 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C02 | O03 | O01 | 180.0° | 180.0° |
| C04 | C02 | O01 | H1 | 180.0° | 180.0° |
| C02 | C04 | C05 | H051 | 0.1° | 0.3° |
| O03 | C02 | O01 | H1 | 0.0° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.1° |
| H131 | C13 | C12 | H121 | 0.2° | 0.4° |
| H131 | C13 | C14 | H141 | 0.2° | 0.3° |
| H051 | C05 | C06 | H061 | 0.2° | 0.1° |
| H111 | C11 | C12 | H121 | 0.2° | 0.3° |
