7Y3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | S7 | doub | 1.42Å | 1.43Å | |
| O8 | S7 | doub | 1.42Å | 1.43Å | |
| S7 | N10 | sing | 1.66Å | 1.69Å | |
| S7 | C6 | sing | 1.76Å | 1.66Å | |
| N11 | N10 | sing | 1.40Å | 1.42Å | Aromatic |
| N11 | C14 | doub | 1.31Å | 1.37Å | Aromatic |
| N10 | C12 | sing | 1.35Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.43Å | Aromatic |
| C6 | S2 | sing | 1.76Å | 1.74Å | Aromatic |
| C6 | C5 | doub | 1.33Å | 1.38Å | Aromatic |
| S2 | C3 | sing | 1.76Å | 1.73Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.37Å | Aromatic |
| C3 | BR1 | sing | 1.89Å | 2.00Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | S7 | O8 | 116.2° | 123.2° |
| O9 | S7 | N10 | 110.4° | 106.4° |
| O9 | S7 | C6 | 109.3° | 106.4° |
| O8 | S7 | N10 | 107.0° | 106.4° |
| O8 | S7 | C6 | 107.6° | 106.4° |
| N10 | S7 | C6 | 105.8° | 107.2° |
| S7 | N10 | N11 | 124.3° | 126.0° |
| S7 | N10 | C12 | 125.3° | 126.0° |
| S7 | C6 | S2 | 117.4° | 125.2° |
| S7 | C6 | C5 | 124.6° | 125.2° |
| N10 | N11 | C14 | 105.9° | 108.2° |
| N11 | N10 | C12 | 110.3° | 108.0° |
| N11 | C14 | C13 | 110.9° | 108.2° |
| N11 | C14 | H5 | 124.5° | 125.9° |
| N10 | C12 | C13 | 107.3° | 107.7° |
| N10 | C12 | H3 | 126.3° | 126.1° |
| C14 | C13 | C12 | 105.6° | 107.9° |
| C14 | C13 | H4 | 127.2° | 126.0° |
| C13 | C14 | H5 | 124.6° | 125.9° |
| C13 | C12 | H3 | 126.3° | 126.1° |
| C12 | C13 | H4 | 127.2° | 126.1° |
| S2 | C6 | C5 | 117.9° | 109.6° |
| C6 | S2 | C3 | 82.8° | 91.0° |
| C6 | C5 | C4 | 110.9° | 114.9° |
| C6 | C5 | H2 | 124.6° | 122.5° |
| S2 | C3 | C4 | 120.1° | 109.6° |
| S2 | C3 | BR1 | 114.9° | 125.2° |
| C5 | C4 | C3 | 108.2° | 114.9° |
| C5 | C4 | H1 | 125.9° | 122.5° |
| C4 | C5 | H2 | 124.6° | 122.6° |
| C4 | C3 | BR1 | 124.9° | 125.2° |
| C3 | C4 | H1 | 125.9° | 122.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | S7 | O8 | N10 | 123.9° | 122.9° |
| O9 | S7 | O8 | C6 | 122.8° | 123.0° |
| O9 | S7 | N10 | C6 | 118.2° | 113.5° |
| O9 | S7 | N10 | N11 | 28.4° | 23.2° |
| O9 | S7 | N10 | C12 | 157.1° | 156.4° |
| O9 | S7 | C6 | S2 | 24.9° | 156.5° |
| O9 | S7 | C6 | C5 | 157.6° | 23.5° |
| O8 | S7 | N10 | C6 | 114.5° | 113.6° |
| O8 | S7 | N10 | N11 | 155.7° | 156.1° |
| O8 | S7 | N10 | C12 | 29.8° | 23.6° |
| O8 | S7 | C6 | S2 | 151.8° | 23.6° |
| O8 | S7 | C6 | C5 | 30.7° | 156.4° |
| S7 | N10 | N11 | C12 | 175.2° | 179.7° |
| S7 | N10 | N11 | C14 | 177.6° | 179.8° |
| S7 | N10 | C12 | C13 | 178.0° | 180.0° |
| N10 | S7 | C6 | S2 | 94.0° | 89.9° |
| N10 | S7 | C6 | C5 | 83.5° | 90.0° |
| S7 | N10 | C12 | H3 | 2.0° | 0.1° |
| C6 | S7 | N10 | N11 | 89.8° | 90.3° |
| C6 | S7 | N10 | C12 | 84.7° | 90.0° |
| S7 | C6 | S2 | C5 | 177.7° | 180.0° |
| S7 | C6 | S2 | C3 | 176.7° | 180.0° |
| S7 | C6 | C5 | C4 | 178.4° | 180.0° |
| S7 | C6 | C5 | H2 | 1.6° | 0.0° |
| N10 | N11 | C14 | C13 | 0.9° | 0.4° |
| N11 | N10 | C12 | C13 | 2.8° | 0.3° |
| N11 | N10 | C12 | H3 | 177.1° | 179.8° |
| N10 | N11 | C14 | H5 | 179.1° | 179.9° |
| C14 | N11 | N10 | C12 | 2.3° | 0.4° |
| N11 | C14 | C13 | H5 | 180.0° | 179.7° |
| N11 | C14 | C13 | C12 | 0.8° | 0.2° |
| N11 | C14 | C13 | H4 | 179.2° | 179.7° |
| N10 | C12 | C13 | C14 | 2.2° | 0.0° |
| N10 | C12 | C13 | H3 | 180.0° | 179.9° |
| N10 | C12 | C13 | H4 | 177.8° | 180.0° |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C14 | C13 | C12 | H3 | 177.8° | 179.9° |
| C12 | C13 | C14 | H5 | 179.2° | 180.0° |
| S2 | C6 | C5 | C4 | 0.9° | 0.0° |
| C6 | S2 | C3 | C4 | 2.9° | 0.0° |
| C6 | S2 | C3 | BR1 | 179.4° | 180.0° |
| S2 | C6 | C5 | H2 | 179.1° | 180.0° |
| C5 | C6 | S2 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 2.8° | 0.0° |
| C6 | C5 | C4 | H1 | 177.2° | 180.0° |
| S2 | C3 | C4 | C5 | 3.9° | 0.0° |
| S2 | C3 | C4 | BR1 | 176.1° | 180.0° |
| S2 | C3 | C4 | H1 | 176.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C5 | C4 | C3 | BR1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H2 | 177.2° | 180.0° |
| BR1 | C3 | C4 | H1 | 0.1° | 0.0° |
| H1 | C4 | C5 | H2 | 2.9° | 0.1° |
| H3 | C12 | C13 | H4 | 2.2° | 0.1° |
| H4 | C13 | C14 | H5 | 0.8° | 0.0° |
