7T6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C8 | doub | 1.21Å | 1.34Å | |
| O9 | CO9 | sing | 1.43Å | 1.43Å | |
| O9 | C7 | sing | 1.43Å | 1.43Å | |
| C8 | O5 | sing | 1.34Å | 1.22Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| O2 | C4 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.45Å | 1.47Å | |
| N1 | C3 | doub | 1.27Å | 1.28Å | |
| C6 | S | sing | 1.81Å | 1.77Å | |
| C4 | C3 | sing | 1.49Å | 1.47Å | |
| C4 | O1 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.47Å | 1.48Å | |
| S | C5 | sing | 1.82Å | 1.76Å | |
| C2 | C1 | doub | 1.33Å | 1.33Å | |
| C2 | C5 | sing | 1.52Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| CO9 | H7 | sing | 1.09Å | 1.10Å | |
| CO9 | H8 | sing | 1.09Å | 1.10Å | |
| CO9 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C8 | O5 | 119.6° | 120.0° |
| O4 | C8 | C7 | 120.5° | 120.0° |
| CO9 | O9 | C7 | 111.5° | 114.0° |
| O9 | CO9 | H7 | 109.5° | 109.5° |
| O9 | CO9 | H8 | 109.5° | 109.5° |
| O9 | CO9 | H9 | 109.5° | 109.5° |
| O9 | C7 | C8 | 107.2° | 109.5° |
| O9 | C7 | C6 | 110.4° | 109.5° |
| O9 | C7 | H6 | 110.9° | 109.5° |
| O5 | C8 | C7 | 119.9° | 120.0° |
| C8 | O5 | H11 | 109.5° | 117.0° |
| C8 | C7 | C6 | 109.0° | 109.5° |
| C8 | C7 | H6 | 109.8° | 109.5° |
| O2 | C4 | C3 | 116.9° | 120.0° |
| O2 | C4 | O1 | 120.4° | 120.0° |
| C7 | C6 | N1 | 103.4° | 109.1° |
| C7 | C6 | S | 111.3° | 109.3° |
| C7 | C6 | H5 | 110.6° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.4° |
| C6 | N1 | C3 | 128.6° | 127.8° |
| N1 | C6 | S | 112.4° | 110.2° |
| N1 | C6 | H5 | 111.5° | 109.5° |
| N1 | C3 | C4 | 113.4° | 116.9° |
| N1 | C3 | C2 | 121.6° | 126.3° |
| C6 | S | C5 | 108.2° | 101.5° |
| S | C6 | H5 | 107.7° | 109.3° |
| C3 | C4 | O1 | 122.7° | 120.0° |
| C4 | C3 | C2 | 125.0° | 116.9° |
| C4 | O1 | H10 | 109.5° | 116.9° |
| C3 | C2 | C1 | 123.4° | 120.3° |
| C3 | C2 | C5 | 117.7° | 119.3° |
| S | C5 | C2 | 103.5° | 106.7° |
| S | C5 | H3 | 110.9° | 110.0° |
| S | C5 | H4 | 111.0° | 110.1° |
| C1 | C2 | C5 | 118.9° | 120.4° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.1° |
| C2 | C5 | H3 | 110.9° | 109.9° |
| C2 | C5 | H4 | 110.9° | 110.0° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H3 | C5 | H4 | 109.5° | 110.0° |
| H7 | CO9 | H8 | 109.4° | 109.5° |
| H7 | CO9 | H9 | 109.5° | 109.5° |
| H8 | CO9 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C8 | C7 | O9 | 39.0° | 5.0° |
| O4 | C8 | O5 | C7 | 180.0° | 180.0° |
| O4 | C8 | C7 | C6 | 80.5° | 115.0° |
| O4 | C8 | C7 | H6 | 159.5° | 125.0° |
| O4 | C8 | O5 | H11 | 0.0° | 0.1° |
| CO9 | O9 | C7 | C8 | 79.4° | 150.0° |
| CO9 | O9 | C7 | C6 | 161.9° | 90.0° |
| CO9 | O9 | C7 | H6 | 40.5° | 30.0° |
| O9 | CO9 | H7 | H8 | 120.0° | 120.0° |
| O9 | CO9 | H7 | H9 | 120.0° | 120.0° |
| O9 | CO9 | H8 | H9 | 120.0° | 120.0° |
| O9 | C7 | C8 | O5 | 141.0° | 175.0° |
| O9 | C7 | C8 | C6 | 119.5° | 120.0° |
| O9 | C7 | C8 | H6 | 120.6° | 120.0° |
| O9 | C7 | C6 | H6 | 122.4° | 120.0° |
| O9 | C7 | C6 | N1 | 138.4° | 65.6° |
| O9 | C7 | C6 | S | 100.7° | 55.0° |
| O9 | C7 | C6 | H5 | 19.0° | 174.6° |
| C7 | O9 | CO9 | H7 | 180.0° | 60.0° |
| C7 | O9 | CO9 | H8 | 60.0° | 60.0° |
| C7 | O9 | CO9 | H9 | 60.0° | 180.0° |
| O5 | C8 | C7 | C6 | 99.5° | 65.0° |
| O5 | C8 | C7 | H6 | 20.5° | 55.0° |
| C8 | C7 | C6 | H6 | 120.2° | 120.0° |
| C8 | C7 | C6 | N1 | 20.9° | 174.4° |
| C8 | C7 | C6 | S | 141.8° | 65.0° |
| C8 | C7 | C6 | H5 | 98.5° | 54.6° |
| C7 | C8 | O5 | H11 | 180.0° | 180.0° |
| O2 | C4 | C3 | N1 | 43.3° | 173.3° |
| O2 | C4 | C3 | O1 | 179.6° | 180.0° |
| O2 | C4 | C3 | C2 | 135.0° | 6.8° |
| O2 | C4 | O1 | H10 | 0.0° | 0.1° |
| C7 | C6 | N1 | S | 120.2° | 120.1° |
| C7 | C6 | N1 | H5 | 118.8° | 119.7° |
| C7 | C6 | N1 | C3 | 128.2° | 143.4° |
| C7 | C6 | S | H5 | 121.4° | 119.7° |
| C7 | C6 | S | C5 | 94.9° | 167.3° |
| N1 | C6 | S | H5 | 123.2° | 120.4° |
| C6 | N1 | C3 | C4 | 173.5° | 178.9° |
| C6 | N1 | C3 | C2 | 4.8° | 1.1° |
| N1 | C6 | S | C5 | 20.6° | 47.4° |
| N1 | C6 | C7 | H6 | 99.3° | 54.4° |
| C3 | N1 | C6 | S | 8.0° | 23.4° |
| N1 | C3 | C4 | C2 | 178.3° | 179.9° |
| N1 | C3 | C4 | O1 | 136.3° | 6.8° |
| N1 | C3 | C2 | C1 | 142.8° | 167.5° |
| N1 | C3 | C2 | C5 | 34.9° | 12.3° |
| C3 | N1 | C6 | H5 | 113.0° | 96.9° |
| C6 | S | C5 | C2 | 49.3° | 55.6° |
| C6 | S | C5 | H3 | 168.3° | 174.8° |
| C6 | S | C5 | H4 | 69.8° | 63.8° |
| S | C6 | C7 | H6 | 21.7° | 175.0° |
| C4 | C3 | C2 | C1 | 35.3° | 12.4° |
| C4 | C3 | C2 | C5 | 146.9° | 167.8° |
| C3 | C4 | O1 | H10 | 179.6° | 180.0° |
| O1 | C4 | C3 | C2 | 45.4° | 173.2° |
| C3 | C2 | C5 | S | 59.1° | 41.8° |
| C3 | C2 | C1 | C5 | 177.8° | 179.8° |
| C3 | C2 | C1 | H1 | 177.7° | 173.0° |
| C3 | C2 | C1 | H2 | 2.2° | 7.3° |
| C3 | C2 | C5 | H3 | 178.1° | 161.1° |
| C3 | C2 | C5 | H4 | 59.9° | 77.6° |
| S | C5 | C2 | C1 | 118.8° | 138.0° |
| S | C5 | C2 | H3 | 119.0° | 119.3° |
| S | C5 | C2 | H4 | 119.0° | 119.4° |
| S | C5 | H3 | H4 | 122.8° | 121.4° |
| C5 | S | C6 | H5 | 143.8° | 73.0° |
| C2 | C1 | H1 | H2 | 180.0° | 179.6° |
| C1 | C2 | C5 | H3 | 0.2° | 18.7° |
| C1 | C2 | C5 | H4 | 122.2° | 102.6° |
| C5 | C2 | C1 | H1 | 0.0° | 7.2° |
| C5 | C2 | C1 | H2 | 180.0° | 172.4° |
| C2 | C5 | H3 | H4 | 122.8° | 121.3° |
| H5 | C6 | C7 | H6 | 141.3° | 65.4° |
| H7 | CO9 | H8 | H9 | 120.0° | 120.0° |
