W6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | S02 | doub | 1.42Å | 1.43Å | |
| S02 | O01 | doub | 1.42Å | 1.39Å | |
| S02 | C10 | sing | 1.76Å | 1.81Å | |
| S02 | N04 | sing | 1.66Å | 1.69Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N04 | C05 | sing | 1.39Å | 1.39Å | |
| C05 | S09 | sing | 1.76Å | 1.71Å | Aromatic |
| C05 | N06 | doub | 1.30Å | 1.31Å | Aromatic |
| S09 | C08 | sing | 1.76Å | 1.73Å | Aromatic |
| N06 | N07 | sing | 1.26Å | 1.34Å | Aromatic |
| C08 | N07 | doub | 1.29Å | 1.32Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | 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 | |
| N04 | H041 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | S02 | O01 | 112.5° | 123.2° |
| O03 | S02 | C10 | 110.5° | 106.4° |
| O03 | S02 | N04 | 104.1° | 106.4° |
| O01 | S02 | C10 | 110.0° | 106.4° |
| O01 | S02 | N04 | 110.7° | 106.4° |
| C10 | S02 | N04 | 108.9° | 107.2° |
| S02 | C10 | C11 | 118.0° | 120.0° |
| S02 | C10 | C15 | 121.4° | 120.0° |
| S02 | N04 | C05 | 115.0° | 120.0° |
| S02 | N04 | H041 | 108.1° | 120.0° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.0° |
| C12 | C11 | H111 | 119.5° | 120.0° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C11 | C10 | C15 | 120.7° | 120.0° |
| C10 | C11 | H111 | 119.6° | 120.0° |
| C12 | C13 | C14 | 119.9° | 120.0° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C13 | C12 | H121 | 120.5° | 120.0° |
| C10 | C15 | C14 | 119.0° | 120.0° |
| C10 | C15 | H151 | 120.5° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C13 | C14 | H141 | 119.8° | 120.0° |
| C14 | C15 | H151 | 120.5° | 120.0° |
| C15 | C14 | H141 | 119.8° | 120.0° |
| N04 | C05 | S09 | 123.0° | 126.1° |
| N04 | C05 | N06 | 127.7° | 126.2° |
| C05 | N04 | H041 | 108.1° | 120.0° |
| S09 | C05 | N06 | 109.2° | 107.7° |
| C05 | S09 | C08 | 92.6° | 88.9° |
| C05 | N06 | N07 | 114.5° | 117.6° |
| S09 | C08 | N07 | 106.6° | 107.9° |
| S09 | C08 | H081 | 126.7° | 126.1° |
| N06 | N07 | C08 | 117.0° | 117.9° |
| N07 | C08 | H081 | 126.7° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | S02 | O01 | C10 | 123.6° | 123.0° |
| O03 | S02 | O01 | N04 | 116.0° | 123.0° |
| O03 | S02 | C10 | N04 | 113.8° | 113.5° |
| O03 | S02 | C10 | C11 | 40.9° | 156.2° |
| O03 | S02 | C10 | C15 | 140.1° | 23.6° |
| O03 | S02 | N04 | C05 | 177.7° | 178.5° |
| O03 | S02 | N04 | H041 | 61.4° | 1.5° |
| O01 | S02 | C10 | N04 | 121.5° | 113.5° |
| O01 | S02 | C10 | C11 | 165.6° | 23.3° |
| O01 | S02 | C10 | C15 | 15.4° | 156.5° |
| O01 | S02 | N04 | C05 | 56.6° | 48.5° |
| O01 | S02 | N04 | H041 | 177.4° | 131.5° |
| S02 | C10 | C11 | C12 | 178.5° | 179.7° |
| S02 | C10 | C11 | C15 | 179.0° | 179.8° |
| S02 | C10 | C15 | C14 | 179.4° | 179.7° |
| C10 | S02 | N04 | C05 | 64.4° | 65.0° |
| S02 | C10 | C15 | H151 | 0.6° | 0.3° |
| S02 | C10 | C11 | H111 | 1.5° | 0.2° |
| C10 | S02 | N04 | H041 | 56.4° | 115.0° |
| N04 | S02 | C10 | C11 | 72.9° | 90.2° |
| N04 | S02 | C10 | C15 | 106.1° | 90.0° |
| S02 | N04 | C05 | H041 | 120.8° | 180.0° |
| S02 | N04 | C05 | S09 | 24.7° | 180.0° |
| S02 | N04 | C05 | N06 | 157.1° | 0.3° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.1° |
| C11 | C12 | C13 | C14 | 0.6° | 0.1° |
| C11 | C12 | C13 | H131 | 179.3° | 180.0° |
| C10 | C11 | C12 | C13 | 1.6° | 0.1° |
| C11 | C10 | C15 | C14 | 1.6° | 0.1° |
| C11 | C10 | C15 | H151 | 178.4° | 179.9° |
| C10 | C11 | C12 | H121 | 178.4° | 180.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.4° | 0.1° |
| C13 | C12 | C11 | H111 | 178.4° | 180.0° |
| C12 | C13 | C14 | H141 | 178.6° | 180.0° |
| C10 | C15 | C14 | C13 | 2.5° | 0.1° |
| C10 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | C10 | C11 | H111 | 179.5° | 180.0° |
| C10 | C15 | C14 | H141 | 177.5° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | H151 | 177.4° | 179.9° |
| C14 | C13 | C12 | H121 | 179.4° | 180.0° |
| C15 | C14 | C13 | H131 | 178.6° | 180.0° |
| N04 | C05 | S09 | N06 | 178.5° | 179.7° |
| N04 | C05 | S09 | C08 | 179.9° | 179.7° |
| N04 | C05 | N06 | N07 | 179.5° | 179.7° |
| S09 | C05 | N06 | N07 | 1.0° | 0.0° |
| C05 | S09 | C08 | N07 | 1.3° | 0.0° |
| C05 | S09 | C08 | H081 | 178.7° | 180.0° |
| S09 | C05 | N04 | H041 | 145.5° | 0.0° |
| N06 | C05 | S09 | C08 | 1.3° | 0.0° |
| C05 | N06 | N07 | C08 | 0.0° | 0.0° |
| N06 | C05 | N04 | H041 | 36.3° | 179.7° |
| S09 | C08 | N07 | N06 | 1.0° | 0.0° |
| S09 | C08 | N07 | H081 | 180.0° | 180.0° |
| N06 | N07 | C08 | H081 | 179.0° | 180.0° |
| H131 | C13 | C12 | H121 | 0.7° | 0.0° |
| H131 | C13 | C14 | H141 | 1.4° | 0.0° |
| H151 | C15 | C14 | H141 | 2.5° | 0.1° |
| H111 | C11 | C12 | H121 | 1.7° | 0.0° |
