T7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | O | doub | 1.21Å | 1.22Å | |
| N | C1 | sing | 1.35Å | 1.34Å | |
| C2 | N | sing | 1.40Å | 1.41Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.40Å | 1.42Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.55Å | 1.51Å | |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C11 | N1 | sing | 1.34Å | 1.37Å | |
| O1 | C11 | doub | 1.21Å | 1.22Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 122.3° | 120.0° |
| C | C1 | N | 112.0° | 120.0° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| O | C1 | N | 125.7° | 120.0° |
| C1 | N | C2 | 129.5° | 120.0° |
| C1 | N | H2 | 115.2° | 120.1° |
| N | C2 | C3 | 123.2° | 120.0° |
| N | C2 | C7 | 116.2° | 120.1° |
| C2 | N | H2 | 115.3° | 119.9° |
| C2 | C3 | C4 | 119.2° | 120.1° |
| C3 | C2 | C7 | 120.5° | 119.9° |
| C2 | C3 | H3 | 120.4° | 119.9° |
| C3 | C4 | C5 | 121.0° | 120.1° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C5 | C4 | H4 | 119.5° | 119.9° |
| C4 | C5 | H5 | 120.4° | 119.9° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | N1 | 120.4° | 120.0° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C6 | C7 | C2 | 119.3° | 119.9° |
| C7 | C6 | N1 | 119.0° | 120.0° |
| C6 | C7 | H6 | 120.4° | 120.1° |
| C2 | C7 | H6 | 120.3° | 120.1° |
| C6 | N1 | C8 | 122.2° | 124.3° |
| C6 | N1 | C11 | 125.0° | 124.4° |
| N1 | C8 | C9 | 103.9° | 105.5° |
| C8 | N1 | C11 | 112.8° | 111.3° |
| N1 | C8 | H8 | 110.9° | 110.3° |
| N1 | C8 | H7 | 110.9° | 110.3° |
| C8 | C9 | C10 | 104.3° | 101.7° |
| C9 | C8 | H8 | 110.8° | 110.3° |
| C9 | C8 | H7 | 110.8° | 110.3° |
| C8 | C9 | H10 | 110.8° | 111.0° |
| C8 | C9 | H9 | 110.8° | 111.0° |
| C9 | C10 | C11 | 104.3° | 104.3° |
| C9 | C10 | H12 | 110.7° | 110.5° |
| C9 | C10 | H11 | 110.7° | 110.5° |
| C10 | C9 | H10 | 110.8° | 110.9° |
| C10 | C9 | H9 | 110.7° | 111.0° |
| C10 | C11 | N1 | 107.5° | 110.1° |
| C10 | C11 | O1 | 127.2° | 125.0° |
| C11 | C10 | H12 | 110.7° | 110.5° |
| C11 | C10 | H11 | 110.7° | 110.6° |
| N1 | C11 | O1 | 125.3° | 124.9° |
| H8 | C8 | H7 | 109.4° | 110.2° |
| H12 | C10 | H11 | 109.5° | 110.4° |
| H | C | H13 | 109.4° | 109.4° |
| H | C | H1 | 109.5° | 109.5° |
| H13 | C | H1 | 109.5° | 109.4° |
| H10 | C9 | H9 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 179.7° | 180.0° |
| C | C1 | N | C2 | 157.8° | 174.5° |
| C | C1 | N | H2 | 22.1° | 5.5° |
| C1 | C | H | H13 | 120.0° | 120.1° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H13 | H1 | 120.0° | 120.0° |
| O | C1 | N | C2 | 22.4° | 5.4° |
| O | C1 | N | H2 | 157.6° | 174.6° |
| O | C1 | C | H | 0.0° | 120.0° |
| O | C1 | C | H13 | 120.0° | 0.0° |
| O | C1 | C | H1 | 120.0° | 120.0° |
| C1 | N | C2 | H2 | 180.0° | 180.0° |
| C1 | N | C2 | C3 | 41.0° | 34.7° |
| C1 | N | C2 | C7 | 140.1° | 145.2° |
| N | C1 | C | H | 179.8° | 60.0° |
| N | C1 | C | H13 | 59.8° | 180.0° |
| N | C1 | C | H1 | 60.2° | 60.1° |
| N | C2 | C3 | C7 | 178.8° | 179.9° |
| N | C2 | C3 | C4 | 179.2° | 180.0° |
| N | C2 | C7 | C6 | 179.1° | 180.0° |
| N | C2 | C7 | H6 | 0.9° | 0.0° |
| N | C2 | C3 | H3 | 0.8° | 0.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 179.8° | 179.7° |
| C3 | C2 | C7 | H6 | 179.8° | 180.0° |
| C3 | C2 | N | H2 | 138.9° | 145.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | N1 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3 | 179.8° | 179.7° |
| C5 | C6 | C7 | N1 | 179.5° | 179.9° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C5 | C6 | N1 | C8 | 33.4° | 174.6° |
| C5 | C6 | N1 | C11 | 147.7° | 5.7° |
| C6 | C5 | C4 | H4 | 179.9° | 179.7° |
| C5 | C6 | C7 | H6 | 179.9° | 179.9° |
| C6 | C7 | C2 | H6 | 180.0° | 180.0° |
| C7 | C6 | N1 | C8 | 146.1° | 5.5° |
| C7 | C6 | N1 | C11 | 32.8° | 174.2° |
| C7 | C6 | C5 | H5 | 179.8° | 179.9° |
| C2 | C7 | C6 | N1 | 179.5° | 180.0° |
| C7 | C2 | N | H2 | 39.9° | 34.7° |
| C7 | C2 | C3 | H3 | 179.6° | 179.7° |
| C6 | N1 | C8 | C11 | 179.1° | 179.7° |
| C6 | N1 | C8 | C9 | 167.8° | 163.0° |
| C6 | N1 | C11 | C10 | 175.1° | 179.6° |
| C6 | N1 | C11 | O1 | 5.9° | 0.3° |
| N1 | C6 | C5 | H5 | 0.3° | 0.0° |
| N1 | C6 | C7 | H6 | 0.5° | 0.0° |
| C6 | N1 | C8 | H8 | 48.7° | 44.0° |
| C6 | N1 | C8 | H7 | 73.1° | 78.0° |
| N1 | C8 | C9 | H8 | 119.1° | 119.1° |
| N1 | C8 | C9 | H7 | 119.1° | 119.0° |
| N1 | C8 | C9 | C10 | 23.3° | 25.5° |
| C8 | N1 | C11 | C10 | 5.9° | 0.7° |
| C8 | N1 | C11 | O1 | 173.1° | 179.4° |
| N1 | C8 | H8 | H7 | 122.6° | 122.0° |
| N1 | C8 | C9 | H10 | 95.9° | 92.5° |
| N1 | C8 | C9 | H9 | 142.4° | 143.7° |
| C8 | C9 | C10 | H10 | 119.2° | 118.0° |
| C8 | C9 | C10 | H9 | 119.2° | 118.2° |
| C8 | C9 | C10 | C11 | 26.8° | 24.8° |
| C9 | C8 | N1 | C11 | 11.3° | 17.3° |
| C9 | C8 | H8 | H7 | 122.6° | 121.9° |
| C8 | C9 | C10 | H12 | 146.0° | 93.9° |
| C8 | C9 | C10 | H11 | 92.4° | 143.6° |
| C8 | C9 | H10 | H9 | 122.4° | 123.9° |
| C9 | C10 | C11 | H12 | 119.2° | 118.7° |
| C9 | C10 | C11 | H11 | 119.2° | 118.8° |
| C9 | C10 | C11 | N1 | 20.6° | 16.1° |
| C9 | C10 | C11 | O1 | 158.4° | 163.8° |
| C10 | C9 | C8 | H8 | 142.4° | 144.6° |
| C10 | C9 | C8 | H7 | 95.9° | 93.5° |
| C9 | C10 | H12 | H11 | 122.4° | 122.5° |
| C10 | C9 | H10 | H9 | 122.4° | 123.8° |
| C10 | C11 | N1 | O1 | 179.0° | 179.9° |
| C11 | C10 | H12 | H11 | 122.4° | 122.7° |
| C11 | C10 | C9 | H10 | 92.4° | 93.3° |
| C11 | C10 | C9 | H9 | 146.0° | 142.9° |
| C11 | N1 | C8 | H8 | 130.4° | 136.3° |
| C11 | N1 | C8 | H7 | 107.8° | 101.8° |
| N1 | C11 | C10 | H12 | 139.8° | 102.6° |
| N1 | C11 | C10 | H11 | 98.6° | 134.8° |
| O1 | C11 | C10 | H12 | 39.2° | 77.5° |
| O1 | C11 | C10 | H11 | 82.4° | 45.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.3° |
| H4 | C4 | C3 | H3 | 0.2° | 0.0° |
| H8 | C8 | C9 | H10 | 23.2° | 26.6° |
| H8 | C8 | C9 | H9 | 98.5° | 97.3° |
| H7 | C8 | C9 | H10 | 145.0° | 148.5° |
| H7 | C8 | C9 | H9 | 23.3° | 24.6° |
| H12 | C10 | C9 | H10 | 26.8° | 148.0° |
| H12 | C10 | C9 | H9 | 94.9° | 24.2° |
| H11 | C10 | C9 | H10 | 148.4° | 25.6° |
| H11 | C10 | C9 | H9 | 26.8° | 98.2° |
| H | C | H13 | H1 | 120.0° | 119.9° |
