8Y7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N11 | sing | 1.46Å | 1.45Å | |
| N10 | C5 | doub | 1.31Å | 1.30Å | |
| N10 | C2 | sing | 1.34Å | 1.33Å | |
| N13 | C5 | sing | 1.37Å | 1.37Å | |
| N11 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| N11 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | N12 | sing | 1.36Å | 1.39Å | |
| C2 | C1 | doub | 1.40Å | 1.37Å | Aromatic |
| S17 | C3 | sing | 1.76Å | 1.72Å | |
| S17 | C8 | sing | 1.81Å | 1.83Å | |
| C3 | N9 | doub | 1.31Å | 1.32Å | Aromatic |
| N12 | C4 | sing | 1.35Å | 1.37Å | |
| C1 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | C4 | sing | 1.41Å | 1.42Å | |
| C4 | O15 | doub | 1.22Å | 1.22Å | |
| C8 | C6 | sing | 1.51Å | 1.53Å | |
| O16 | C6 | doub | 1.21Å | 1.26Å | |
| C6 | O14 | sing | 1.34Å | 1.26Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å | |
| O14 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N11 | C2 | 125.9° | 126.3° |
| C7 | N11 | C3 | 127.9° | 126.2° |
| N11 | C7 | H1 | 109.5° | 109.5° |
| N11 | C7 | H2 | 109.5° | 109.5° |
| N11 | C7 | H3 | 109.5° | 109.4° |
| C5 | N10 | C2 | 111.8° | 121.1° |
| N10 | C5 | N13 | 121.9° | 119.1° |
| N10 | C5 | N12 | 124.0° | 121.9° |
| N10 | C2 | N11 | 126.6° | 134.0° |
| N10 | C2 | C1 | 128.5° | 119.7° |
| N13 | C5 | N12 | 114.1° | 119.1° |
| C5 | N13 | H7 | 120.0° | 120.0° |
| C5 | N13 | H8 | 120.0° | 120.0° |
| C2 | N11 | C3 | 106.3° | 107.5° |
| N11 | C2 | C1 | 104.9° | 106.3° |
| N11 | C3 | S17 | 120.9° | 125.2° |
| N11 | C3 | N9 | 113.3° | 109.6° |
| C5 | N12 | C4 | 125.6° | 120.3° |
| C5 | N12 | H6 | 117.2° | 119.8° |
| C2 | C1 | N9 | 112.8° | 107.4° |
| C2 | C1 | C4 | 120.5° | 118.6° |
| C3 | S17 | C8 | 100.5° | 100.0° |
| S17 | C3 | N9 | 125.8° | 125.2° |
| S17 | C8 | C6 | 112.4° | 109.5° |
| S17 | C8 | H4 | 108.7° | 109.4° |
| S17 | C8 | H5 | 108.7° | 109.5° |
| C3 | N9 | C1 | 102.7° | 109.2° |
| N12 | C4 | C1 | 109.6° | 118.4° |
| N12 | C4 | O15 | 126.4° | 120.8° |
| C4 | N12 | H6 | 117.2° | 119.9° |
| N9 | C1 | C4 | 126.8° | 134.0° |
| C1 | C4 | O15 | 124.0° | 120.8° |
| C8 | C6 | O16 | 121.3° | 120.0° |
| C8 | C6 | O14 | 111.8° | 120.0° |
| C6 | C8 | H4 | 108.7° | 109.5° |
| C6 | C8 | H5 | 108.7° | 109.5° |
| O16 | C6 | O14 | 126.9° | 120.0° |
| C6 | O14 | H9 | 109.5° | 117.0° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H1 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H7 | N13 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N11 | C2 | N10 | 0.1° | 0.1° |
| C7 | N11 | C2 | C3 | 179.4° | 179.8° |
| C7 | N11 | C2 | C1 | 179.8° | 180.0° |
| C7 | N11 | C3 | S17 | 0.7° | 0.2° |
| C7 | N11 | C3 | N9 | 180.0° | 179.8° |
| N11 | C7 | H1 | H2 | 120.0° | 120.1° |
| N11 | C7 | H1 | H3 | 120.0° | 119.9° |
| N11 | C7 | H2 | H3 | 120.0° | 120.0° |
| N10 | C5 | N13 | N12 | 179.8° | 179.8° |
| C5 | N10 | C2 | N11 | 179.5° | 179.9° |
| C5 | N10 | C2 | C1 | 0.1° | 0.0° |
| N10 | C5 | N12 | C4 | 0.1° | 0.2° |
| N10 | C5 | N12 | H6 | 179.9° | 179.9° |
| N10 | C5 | N13 | H7 | 0.0° | 179.9° |
| N10 | C5 | N13 | H8 | 180.0° | 0.2° |
| C2 | N10 | C5 | N13 | 180.0° | 179.9° |
| N10 | C2 | N11 | C1 | 179.7° | 179.9° |
| N10 | C2 | N11 | C3 | 179.3° | 179.7° |
| C2 | N10 | C5 | N12 | 0.2° | 0.3° |
| N10 | C2 | C1 | N9 | 179.6° | 180.0° |
| N10 | C2 | C1 | C4 | 0.1° | 0.3° |
| N13 | C5 | N12 | C4 | 179.9° | 180.0° |
| N13 | C5 | N12 | H6 | 0.1° | 0.1° |
| C5 | N13 | H7 | H8 | 180.0° | 179.9° |
| C2 | N11 | C3 | S17 | 179.9° | 180.0° |
| C2 | N11 | C3 | N9 | 0.6° | 0.5° |
| N11 | C2 | C1 | N9 | 0.0° | 0.1° |
| N11 | C2 | C1 | C4 | 179.7° | 179.8° |
| C2 | N11 | C7 | H1 | 180.0° | 90.0° |
| C2 | N11 | C7 | H2 | 60.0° | 150.0° |
| C2 | N11 | C7 | H3 | 60.0° | 29.9° |
| C3 | N11 | C2 | C1 | 0.4° | 0.2° |
| N11 | C3 | S17 | N9 | 179.2° | 179.5° |
| N11 | C3 | S17 | C8 | 179.9° | 179.4° |
| N11 | C3 | N9 | C1 | 0.6° | 0.5° |
| C3 | N11 | C7 | H1 | 0.7° | 89.7° |
| C3 | N11 | C7 | H2 | 120.7° | 30.3° |
| C3 | N11 | C7 | H3 | 119.3° | 150.4° |
| C5 | N12 | C4 | H6 | 180.0° | 179.9° |
| C5 | N12 | C4 | C1 | 0.1° | 0.1° |
| C5 | N12 | C4 | O15 | 179.7° | 179.8° |
| N12 | C5 | N13 | H7 | 179.8° | 0.1° |
| N12 | C5 | N13 | H8 | 0.2° | 180.0° |
| C2 | C1 | N9 | C3 | 0.3° | 0.3° |
| C2 | C1 | C4 | N12 | 0.2° | 0.3° |
| C2 | C1 | N9 | C4 | 179.7° | 179.7° |
| C2 | C1 | C4 | O15 | 179.6° | 179.6° |
| S17 | C3 | N9 | C1 | 179.8° | 180.0° |
| C3 | S17 | C8 | C6 | 98.6° | 180.0° |
| C3 | S17 | C8 | H4 | 141.0° | 60.0° |
| C3 | S17 | C8 | H5 | 21.8° | 60.0° |
| C8 | S17 | C3 | N9 | 0.9° | 0.0° |
| S17 | C8 | C6 | H4 | 120.4° | 120.0° |
| S17 | C8 | C6 | H5 | 120.4° | 120.0° |
| S17 | C8 | C6 | O16 | 10.6° | 0.0° |
| S17 | C8 | C6 | O14 | 168.9° | 180.0° |
| S17 | C8 | H4 | H5 | 118.7° | 120.0° |
| C3 | N9 | C1 | C4 | 179.4° | 180.0° |
| N12 | C4 | C1 | N9 | 179.5° | 180.0° |
| N12 | C4 | C1 | O15 | 179.8° | 179.9° |
| N9 | C1 | C4 | O15 | 0.7° | 0.0° |
| C1 | C4 | N12 | H6 | 179.9° | 179.8° |
| O15 | C4 | N12 | H6 | 0.3° | 0.3° |
| C8 | C6 | O16 | O14 | 179.4° | 179.9° |
| C6 | C8 | H4 | H5 | 118.6° | 120.0° |
| C8 | C6 | O14 | H9 | 179.5° | 180.0° |
| O16 | C6 | C8 | H4 | 131.0° | 120.0° |
| O16 | C6 | C8 | H5 | 109.8° | 120.0° |
| O16 | C6 | O14 | H9 | 0.0° | 0.0° |
| O14 | C6 | C8 | H4 | 48.4° | 60.1° |
| O14 | C6 | C8 | H5 | 70.7° | 59.9° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
