6JD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | sing | 1.36Å | 1.38Å | |
| C07 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | S02 | sing | 1.76Å | 1.76Å | |
| S02 | O03 | doub | 1.42Å | 1.42Å | |
| S02 | O01 | doub | 1.42Å | 1.42Å | |
| S02 | C11 | sing | 1.76Å | 1.76Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.38Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| O15 | H151 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C09 | 118.8° | 120.1° |
| O08 | C07 | C06 | 120.9° | 120.1° |
| C07 | O08 | H081 | 109.5° | 114.0° |
| C09 | C07 | C06 | 120.3° | 119.9° |
| C07 | C09 | C10 | 120.3° | 119.9° |
| C07 | C09 | H091 | 119.9° | 120.0° |
| C07 | C06 | C05 | 120.5° | 119.9° |
| C07 | C06 | H061 | 119.8° | 120.0° |
| C09 | C10 | C04 | 119.8° | 120.1° |
| C10 | C09 | H091 | 119.8° | 120.1° |
| C09 | C10 | H101 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.3° | 120.1° |
| C06 | C05 | H051 | 120.3° | 119.9° |
| C05 | C06 | H061 | 119.7° | 120.0° |
| C10 | C04 | C05 | 119.8° | 120.1° |
| C10 | C04 | S02 | 119.3° | 120.0° |
| C04 | C10 | H101 | 120.1° | 119.9° |
| C05 | C04 | S02 | 120.8° | 119.9° |
| C04 | C05 | H051 | 120.4° | 120.0° |
| C04 | S02 | O03 | 108.0° | 106.4° |
| C04 | S02 | O01 | 106.8° | 106.4° |
| C04 | S02 | C11 | 108.5° | 107.2° |
| O03 | S02 | O01 | 118.8° | 123.1° |
| O03 | S02 | C11 | 107.8° | 106.4° |
| O01 | S02 | C11 | 106.6° | 106.4° |
| S02 | C11 | C12 | 120.3° | 120.0° |
| S02 | C11 | C17 | 120.3° | 119.9° |
| C12 | C11 | C17 | 119.4° | 120.1° |
| C11 | C12 | C13 | 119.4° | 120.1° |
| C11 | C12 | H121 | 120.3° | 120.0° |
| C11 | C17 | C16 | 120.5° | 120.1° |
| C11 | C17 | H171 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C13 | C12 | H121 | 120.3° | 120.0° |
| C12 | C13 | H131 | 119.7° | 120.1° |
| C17 | C16 | C14 | 119.9° | 119.9° |
| C17 | C16 | H161 | 120.0° | 120.1° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C13 | C14 | C16 | 120.1° | 119.9° |
| C13 | C14 | O15 | 120.7° | 120.1° |
| C14 | C13 | H131 | 119.7° | 120.0° |
| C16 | C14 | O15 | 119.2° | 120.0° |
| C14 | C16 | H161 | 120.1° | 120.0° |
| C14 | O15 | H151 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C09 | C06 | 179.9° | 179.8° |
| O08 | C07 | C09 | C10 | 180.0° | 179.9° |
| O08 | C07 | C06 | C05 | 180.0° | 179.8° |
| O08 | C07 | C06 | H061 | 0.0° | 0.1° |
| O08 | C07 | C09 | H091 | 0.0° | 0.2° |
| C07 | C09 | C10 | H091 | 180.0° | 179.7° |
| C09 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C09 | C10 | C04 | 0.5° | 0.5° |
| C09 | C07 | C06 | H061 | 179.9° | 179.9° |
| C09 | C07 | O08 | H081 | 180.0° | 90.0° |
| C07 | C09 | C10 | H101 | 179.4° | 180.0° |
| C06 | C07 | C09 | C10 | 0.1° | 0.2° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.6° | 0.0° |
| C07 | C06 | C05 | H051 | 179.4° | 179.9° |
| C06 | C07 | O08 | H081 | 0.1° | 89.8° |
| C06 | C07 | C09 | H091 | 179.9° | 180.0° |
| C09 | C10 | C04 | H101 | 180.0° | 179.4° |
| C09 | C10 | C04 | C05 | 1.0° | 0.6° |
| C09 | C10 | C04 | S02 | 179.3° | 179.7° |
| C06 | C05 | C04 | C10 | 1.0° | 0.3° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | S02 | 179.3° | 180.0° |
| C10 | C04 | C05 | S02 | 178.3° | 179.7° |
| C10 | C04 | S02 | O03 | 14.0° | 156.2° |
| C10 | C04 | S02 | O01 | 142.8° | 23.3° |
| C10 | C04 | S02 | C11 | 102.6° | 90.3° |
| C10 | C04 | C05 | H051 | 178.9° | 179.7° |
| C04 | C10 | C09 | H091 | 179.5° | 179.7° |
| C05 | C04 | S02 | O03 | 164.3° | 23.5° |
| C05 | C04 | S02 | O01 | 35.5° | 156.4° |
| C05 | C04 | S02 | C11 | 79.1° | 90.0° |
| C04 | C05 | C06 | H061 | 179.4° | 179.9° |
| C05 | C04 | C10 | H101 | 179.0° | 180.0° |
| C04 | S02 | O03 | O01 | 121.6° | 123.0° |
| C04 | S02 | O03 | C11 | 117.0° | 114.1° |
| C04 | S02 | O01 | C11 | 115.9° | 114.1° |
| C04 | S02 | C11 | C12 | 81.9° | 90.0° |
| C04 | S02 | C11 | C17 | 99.8° | 90.2° |
| S02 | C04 | C05 | H051 | 0.7° | 0.0° |
| S02 | C04 | C10 | H101 | 0.7° | 0.3° |
| O03 | S02 | O01 | C11 | 121.9° | 122.9° |
| O03 | S02 | C11 | C12 | 34.8° | 156.5° |
| O03 | S02 | C11 | C17 | 143.5° | 23.3° |
| O01 | S02 | C11 | C12 | 163.4° | 23.6° |
| O01 | S02 | C11 | C17 | 14.9° | 156.2° |
| S02 | C11 | C12 | C17 | 178.3° | 179.8° |
| S02 | C11 | C12 | C13 | 179.3° | 179.9° |
| S02 | C11 | C17 | C16 | 179.3° | 179.7° |
| S02 | C11 | C12 | H121 | 0.6° | 0.0° |
| S02 | C11 | C17 | H171 | 0.7° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C17 | C16 | 1.0° | 0.5° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H131 | 179.5° | 180.0° |
| C12 | C11 | C17 | H171 | 179.0° | 179.8° |
| C17 | C11 | C12 | C13 | 1.0° | 0.3° |
| C11 | C17 | C16 | H171 | 180.0° | 179.7° |
| C11 | C17 | C16 | C14 | 0.4° | 0.5° |
| C17 | C11 | C12 | H121 | 179.0° | 179.7° |
| C11 | C17 | C16 | H161 | 179.6° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.1° | 0.0° |
| C12 | C13 | C14 | O15 | 180.0° | 179.9° |
| C17 | C16 | C14 | C13 | 0.1° | 0.2° |
| C17 | C16 | C14 | H161 | 180.0° | 179.9° |
| C17 | C16 | C14 | O15 | 180.0° | 179.7° |
| C13 | C14 | C16 | O15 | 179.9° | 180.0° |
| C14 | C13 | C12 | H121 | 179.5° | 180.0° |
| C13 | C14 | O15 | H151 | 180.0° | 90.0° |
| C13 | C14 | C16 | H161 | 179.9° | 179.9° |
| C16 | C14 | C13 | H131 | 179.9° | 180.0° |
| C16 | C14 | O15 | H151 | 0.1° | 89.9° |
| C14 | C16 | C17 | H171 | 179.5° | 179.8° |
| O15 | C14 | C13 | H131 | 0.0° | 0.1° |
| O15 | C14 | C16 | H161 | 0.0° | 0.1° |
| H051 | C05 | C06 | H061 | 0.6° | 0.0° |
| H091 | C09 | C10 | H101 | 0.5° | 0.3° |
| H121 | C12 | C13 | H131 | 0.5° | 0.0° |
| H161 | C16 | C17 | H171 | 0.5° | 0.1° |
