R7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.22Å | |
| C | N | sing | 1.34Å | 1.36Å | |
| C | S | sing | 1.77Å | 1.78Å | |
| N | C1 | sing | 1.32Å | 1.37Å | |
| S | C2 | sing | 1.77Å | 1.74Å | |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | doub | 1.36Å | 1.34Å | |
| C10 | C9 | doub | 1.37Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | N1 | doub | 1.31Å | 1.32Å | Aromatic |
| C7 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 125.7° | 126.5° |
| O | C | S | 124.5° | 126.5° |
| N | C | S | 109.8° | 106.9° |
| C | N | C1 | 117.9° | 119.5° |
| C | N | H4 | 121.1° | 120.2° |
| C | S | C2 | 91.8° | 94.6° |
| N | C1 | C2 | 110.6° | 115.0° |
| N | C1 | O1 | 124.6° | 122.5° |
| C1 | N | H4 | 121.1° | 120.3° |
| S | C2 | C1 | 110.0° | 104.1° |
| S | C2 | C3 | 129.5° | 128.0° |
| C2 | C1 | O1 | 124.8° | 122.6° |
| C1 | C2 | C3 | 120.4° | 127.9° |
| C2 | C3 | C4 | 132.1° | 120.0° |
| C2 | C3 | H6 | 113.9° | 120.0° |
| C9 | C10 | C11 | 119.5° | 118.1° |
| C10 | C9 | C8 | 118.8° | 119.9° |
| C9 | C10 | H3 | 120.3° | 121.0° |
| C10 | C9 | H9 | 120.6° | 120.0° |
| C10 | C11 | C12 | 123.6° | 121.2° |
| C10 | C11 | C7 | 118.0° | 119.0° |
| C11 | C10 | H3 | 120.2° | 120.9° |
| C11 | C12 | C4 | 121.6° | 119.4° |
| C12 | C11 | C7 | 118.5° | 119.8° |
| C11 | C12 | H5 | 119.2° | 120.3° |
| C12 | C4 | C3 | 122.3° | 119.9° |
| C12 | C4 | C5 | 118.9° | 120.3° |
| C4 | C12 | H5 | 119.2° | 120.3° |
| C3 | C4 | C5 | 118.9° | 119.9° |
| C4 | C3 | H6 | 113.9° | 120.0° |
| C9 | C8 | N1 | 124.5° | 121.8° |
| C9 | C8 | H2 | 117.8° | 119.1° |
| C8 | C9 | H9 | 120.6° | 120.1° |
| C11 | C7 | N1 | 121.9° | 119.7° |
| C11 | C7 | C6 | 119.1° | 119.5° |
| C4 | C5 | C6 | 121.1° | 120.9° |
| C4 | C5 | H8 | 119.5° | 119.5° |
| C8 | N1 | C7 | 117.4° | 121.4° |
| N1 | C8 | H2 | 117.8° | 119.1° |
| N1 | C7 | C6 | 119.0° | 120.8° |
| C7 | C6 | C5 | 120.8° | 120.2° |
| C7 | C6 | H1 | 119.6° | 120.0° |
| C5 | C6 | H1 | 119.6° | 119.9° |
| C6 | C5 | H8 | 119.4° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | S | 178.9° | 179.9° |
| O | C | N | C1 | 178.6° | 180.0° |
| O | C | S | C2 | 178.6° | 179.8° |
| O | C | N | H4 | 1.4° | 0.2° |
| C | N | C1 | H4 | 180.0° | 179.7° |
| N | C | S | C2 | 0.4° | 0.2° |
| C | N | C1 | C2 | 0.0° | 0.3° |
| C | N | C1 | O1 | 179.8° | 179.7° |
| S | C | N | C1 | 0.3° | 0.0° |
| C | S | C2 | C1 | 0.3° | 0.4° |
| C | S | C2 | C3 | 178.5° | 180.0° |
| S | C | N | H4 | 179.7° | 179.7° |
| N | C1 | C2 | S | 0.2° | 0.4° |
| N | C1 | C2 | O1 | 179.8° | 180.0° |
| N | C1 | C2 | C3 | 178.7° | 180.0° |
| S | C2 | C1 | C3 | 179.0° | 179.6° |
| S | C2 | C1 | O1 | 179.9° | 179.6° |
| S | C2 | C3 | C4 | 0.8° | 6.9° |
| S | C2 | C3 | H6 | 179.2° | 173.1° |
| C1 | C2 | C3 | C4 | 178.0° | 172.6° |
| C2 | C1 | N | H4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H6 | 2.0° | 7.3° |
| O1 | C1 | C2 | C3 | 1.1° | 0.0° |
| O1 | C1 | N | H4 | 0.2° | 0.0° |
| C2 | C3 | C4 | C12 | 9.0° | 22.3° |
| C2 | C3 | C4 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 172.5° | 157.4° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.9° | 179.9° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | C10 | C11 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | N1 | 0.3° | 0.0° |
| C10 | C9 | C8 | H2 | 179.7° | 180.0° |
| C10 | C11 | C12 | C7 | 179.9° | 180.0° |
| C10 | C11 | C12 | C4 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C7 | N1 | 0.6° | 0.0° |
| C10 | C11 | C7 | C6 | 179.5° | 180.0° |
| C10 | C11 | C12 | H5 | 0.0° | 0.1° |
| C11 | C10 | C9 | H9 | 179.6° | 180.0° |
| C11 | C12 | C4 | H5 | 180.0° | 179.9° |
| C11 | C12 | C4 | C3 | 177.9° | 180.0° |
| C11 | C12 | C4 | C5 | 0.7° | 0.2° |
| C12 | C11 | C7 | N1 | 179.4° | 180.0° |
| C12 | C11 | C7 | C6 | 0.6° | 0.0° |
| C12 | C11 | C10 | H3 | 0.1° | 0.1° |
| C12 | C4 | C3 | C5 | 178.6° | 179.8° |
| C4 | C12 | C11 | C7 | 0.1° | 0.0° |
| C12 | C4 | C5 | C6 | 0.9° | 0.5° |
| C12 | C4 | C3 | H6 | 171.0° | 157.6° |
| C12 | C4 | C5 | H8 | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 177.7° | 179.8° |
| C3 | C4 | C12 | H5 | 2.1° | 0.1° |
| C3 | C4 | C5 | H8 | 2.3° | 0.2° |
| C9 | C8 | N1 | H2 | 180.0° | 179.9° |
| C9 | C8 | N1 | C7 | 0.2° | 0.0° |
| C8 | C9 | C10 | H3 | 179.6° | 179.9° |
| C11 | C7 | N1 | C8 | 0.7° | 0.0° |
| C11 | C7 | N1 | C6 | 180.0° | 180.0° |
| C11 | C7 | C6 | C5 | 0.4° | 0.3° |
| C11 | C7 | C6 | H1 | 179.6° | 180.0° |
| C7 | C11 | C10 | H3 | 180.0° | 179.9° |
| C7 | C11 | C12 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.5° |
| C4 | C5 | C6 | H8 | 180.0° | 179.5° |
| C4 | C5 | C6 | H1 | 179.6° | 179.8° |
| C5 | C4 | C12 | H5 | 179.3° | 179.8° |
| C5 | C4 | C3 | H6 | 7.5° | 22.6° |
| C8 | N1 | C7 | C6 | 179.4° | 180.0° |
| N1 | C8 | C9 | H9 | 179.7° | 180.0° |
| N1 | C7 | C6 | C5 | 179.6° | 179.7° |
| N1 | C7 | C6 | H1 | 0.4° | 0.0° |
| C7 | N1 | C8 | H2 | 179.8° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 179.7° |
| C7 | C6 | C5 | H8 | 179.6° | 180.0° |
| H1 | C6 | C5 | H8 | 0.4° | 0.3° |
| H2 | C8 | C9 | H9 | 0.3° | 0.1° |
| H3 | C10 | C9 | H9 | 0.4° | 0.0° |
