AQ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | N | sing | 1.35Å | 1.33Å | |
| C9 | O2 | doub | 1.21Å | 1.22Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 68.70Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 110.0° | 109.4° |
| C6 | C5 | C4 | 110.0° | 109.5° |
| C6 | C5 | H9 | 109.3° | 109.5° |
| C6 | C5 | H10 | 109.3° | 109.5° |
| C5 | C6 | H17 | 109.3° | 109.5° |
| C5 | C6 | H18 | 109.3° | 109.5° |
| C6 | C7 | N1 | 106.2° | 108.7° |
| C7 | C6 | H17 | 109.3° | 109.5° |
| C7 | C6 | H18 | 109.3° | 109.4° |
| C6 | C7 | H19 | 110.3° | 109.6° |
| C6 | C7 | H20 | 110.3° | 109.6° |
| C5 | C4 | C3 | 108.8° | 109.5° |
| C5 | C4 | C8 | 109.3° | 109.3° |
| C5 | C4 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.3° | 109.4° |
| C4 | C5 | H10 | 109.3° | 109.4° |
| C7 | N1 | C9 | 122.2° | 120.6° |
| C7 | N1 | C8 | 115.9° | 118.8° |
| N1 | C7 | H19 | 110.3° | 109.7° |
| N1 | C7 | H20 | 110.3° | 109.5° |
| C11 | C10 | C9 | 109.8° | 109.5° |
| C11 | C10 | H3 | 109.4° | 109.5° |
| C11 | C10 | H4 | 109.4° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.4° |
| C10 | C9 | N1 | 117.0° | 120.0° |
| C10 | C9 | O2 | 120.2° | 120.1° |
| C9 | C10 | H3 | 109.4° | 109.5° |
| C9 | C10 | H4 | 109.4° | 109.5° |
| C3 | C4 | C8 | 109.8° | 109.5° |
| C4 | C3 | O1 | 120.4° | 120.0° |
| C4 | C3 | N | 116.9° | 120.0° |
| C3 | C4 | H8 | 109.9° | 109.5° |
| C4 | C8 | N1 | 106.8° | 108.9° |
| C4 | C8 | H1 | 110.1° | 109.6° |
| C4 | C8 | H2 | 110.1° | 109.6° |
| C8 | C4 | H8 | 109.5° | 109.5° |
| C9 | N1 | C8 | 121.9° | 120.6° |
| N1 | C9 | O2 | 122.8° | 120.0° |
| N1 | C8 | H1 | 110.1° | 109.6° |
| N1 | C8 | H2 | 110.1° | 109.6° |
| O1 | C3 | N | 122.7° | 120.0° |
| C3 | N | CA | 121.0° | 120.0° |
| C3 | N | H11 | 119.5° | 120.0° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | C | 112.1° | 109.5° |
| CA | N | H11 | 119.5° | 119.9° |
| N | CA | H12 | 108.9° | 109.4° |
| CB | CA | C | 109.5° | 109.5° |
| CB | CA | H12 | 107.9° | 109.5° |
| CA | CB | H14 | 109.5° | 109.5° |
| CA | CB | H15 | 109.4° | 109.5° |
| CA | CB | H16 | 109.4° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| C | CA | H12 | 108.1° | 109.5° |
| CA | C | OXT | 70.6° | 120.0° |
| O | C | OXT | 61.0° | 120.0° |
| H1 | C8 | H2 | 109.5° | 109.6° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H14 | CB | H15 | 109.5° | 109.5° |
| H14 | CB | H16 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.5° |
| H17 | C6 | H18 | 109.5° | 109.5° |
| H19 | C7 | H20 | 109.5° | 109.7° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H17 | 120.1° | 120.0° |
| C5 | C6 | C7 | H18 | 120.1° | 120.0° |
| C6 | C5 | C4 | H9 | 120.1° | 120.0° |
| C6 | C5 | C4 | H10 | 120.1° | 120.0° |
| C5 | C6 | C7 | N1 | 57.6° | 54.5° |
| C6 | C5 | C4 | C3 | 178.1° | 178.7° |
| C6 | C5 | C4 | C8 | 58.2° | 61.4° |
| C6 | C5 | C4 | H8 | 61.8° | 58.6° |
| C6 | C5 | H9 | H10 | 119.8° | 120.0° |
| C5 | C6 | H17 | H18 | 119.7° | 120.1° |
| C5 | C6 | C7 | H19 | 61.9° | 174.4° |
| C5 | C6 | C7 | H20 | 177.1° | 65.1° |
| C7 | C6 | C5 | C4 | 58.8° | 61.3° |
| C6 | C7 | N1 | H19 | 119.5° | 119.9° |
| C6 | C7 | N1 | H20 | 119.5° | 119.7° |
| C6 | C7 | N1 | C9 | 118.4° | 126.5° |
| C6 | C7 | N1 | C8 | 62.5° | 53.5° |
| C7 | C6 | C5 | H9 | 178.8° | 58.7° |
| C7 | C6 | C5 | H10 | 61.3° | 178.7° |
| C7 | C6 | H17 | H18 | 119.8° | 119.9° |
| C6 | C7 | H19 | H20 | 121.5° | 120.4° |
| C5 | C4 | C3 | C8 | 119.6° | 119.8° |
| C5 | C4 | C3 | H8 | 119.9° | 120.1° |
| C5 | C4 | C8 | H8 | 120.0° | 120.0° |
| C5 | C4 | C8 | N1 | 57.3° | 54.7° |
| C5 | C4 | C3 | O1 | 75.2° | 0.2° |
| C5 | C4 | C3 | N | 104.7° | 179.9° |
| C5 | C4 | C8 | H1 | 176.8° | 65.1° |
| C5 | C4 | C8 | H2 | 62.3° | 174.5° |
| C4 | C5 | H9 | H10 | 119.7° | 119.9° |
| C4 | C5 | C6 | H17 | 178.9° | 178.7° |
| C4 | C5 | C6 | H18 | 61.3° | 58.6° |
| C7 | N1 | C9 | C10 | 5.3° | 0.3° |
| C7 | N1 | C8 | C4 | 62.8° | 53.7° |
| C7 | N1 | C9 | C8 | 179.1° | 180.0° |
| C7 | N1 | C9 | O2 | 173.8° | 180.0° |
| C7 | N1 | C8 | H1 | 177.7° | 66.1° |
| C7 | N1 | C8 | H2 | 56.8° | 173.5° |
| N1 | C7 | C6 | H17 | 177.6° | 174.6° |
| N1 | C7 | C6 | H18 | 62.5° | 65.4° |
| N1 | C7 | H19 | H20 | 121.6° | 120.4° |
| C11 | C10 | C9 | H3 | 120.0° | 120.0° |
| C11 | C10 | C9 | H4 | 120.0° | 120.0° |
| C11 | C10 | C9 | N1 | 154.4° | 179.7° |
| C11 | C10 | C9 | O2 | 26.5° | 0.1° |
| C11 | C10 | H3 | H4 | 119.9° | 120.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C10 | C9 | N1 | O2 | 179.1° | 179.7° |
| C10 | C9 | N1 | C8 | 175.6° | 179.7° |
| C9 | C10 | H3 | H4 | 119.9° | 120.0° |
| C9 | C10 | C11 | H5 | 180.0° | 60.0° |
| C9 | C10 | C11 | H6 | 60.0° | 180.0° |
| C9 | C10 | C11 | H7 | 60.0° | 60.0° |
| C3 | C4 | C8 | H8 | 120.7° | 120.1° |
| C3 | C4 | C8 | N1 | 176.5° | 174.6° |
| C4 | C3 | O1 | N | 179.9° | 179.9° |
| C4 | C3 | N | CA | 161.6° | 180.0° |
| C3 | C4 | C8 | H1 | 63.9° | 54.8° |
| C3 | C4 | C8 | H2 | 56.9° | 65.5° |
| C3 | C4 | C5 | H9 | 61.8° | 61.3° |
| C3 | C4 | C5 | H10 | 58.0° | 58.7° |
| C4 | C3 | N | H11 | 18.3° | 0.1° |
| C4 | C8 | N1 | C9 | 118.1° | 126.3° |
| C4 | C8 | N1 | H1 | 119.6° | 119.8° |
| C4 | C8 | N1 | H2 | 119.6° | 119.8° |
| C8 | C4 | C3 | O1 | 165.2° | 120.0° |
| C8 | C4 | C3 | N | 14.9° | 60.0° |
| C4 | C8 | H1 | H2 | 121.2° | 120.3° |
| C8 | C4 | C5 | H9 | 178.3° | 58.6° |
| C8 | C4 | C5 | H10 | 61.9° | 178.6° |
| C9 | N1 | C8 | H1 | 1.5° | 113.9° |
| C9 | N1 | C8 | H2 | 122.3° | 6.5° |
| N1 | C9 | C10 | H3 | 34.4° | 59.7° |
| N1 | C9 | C10 | H4 | 85.6° | 60.3° |
| C9 | N1 | C7 | H19 | 122.2° | 6.6° |
| C9 | N1 | C7 | H20 | 1.1° | 113.8° |
| C8 | N1 | C9 | O2 | 5.3° | 0.0° |
| N1 | C8 | H1 | H2 | 121.2° | 120.3° |
| N1 | C8 | C4 | H8 | 62.8° | 65.3° |
| C8 | N1 | C7 | H19 | 56.9° | 173.3° |
| C8 | N1 | C7 | H20 | 178.0° | 66.2° |
| O1 | C3 | N | CA | 18.2° | 0.1° |
| O1 | C3 | C4 | H8 | 44.7° | 119.9° |
| O1 | C3 | N | H11 | 161.8° | 180.0° |
| C3 | N | CA | H11 | 180.0° | 180.0° |
| C3 | N | CA | CB | 150.6° | 85.0° |
| C3 | N | CA | C | 87.1° | 155.0° |
| N | C3 | C4 | H8 | 135.5° | 60.0° |
| C3 | N | CA | H12 | 32.4° | 35.0° |
| O2 | C9 | C10 | H3 | 146.5° | 120.0° |
| O2 | C9 | C10 | H4 | 93.5° | 120.0° |
| N | CA | CB | C | 123.8° | 120.0° |
| N | CA | CB | H12 | 118.8° | 120.0° |
| N | CA | C | H12 | 120.0° | 120.0° |
| N | CA | C | O | 157.9° | 0.1° |
| N | CA | CB | H14 | 180.0° | 179.9° |
| N | CA | CB | H15 | 60.0° | 60.0° |
| N | CA | CB | H16 | 60.0° | 60.0° |
| N | CA | C | OXT | 121.4° | 180.0° |
| CB | CA | C | H12 | 117.4° | 120.0° |
| CB | CA | C | O | 79.5° | 119.9° |
| CB | CA | N | H11 | 29.4° | 95.0° |
| CA | CB | H14 | H15 | 120.0° | 120.0° |
| CA | CB | H14 | H16 | 120.0° | 120.0° |
| CA | CB | H15 | H16 | 120.0° | 120.0° |
| CB | CA | C | OXT | 116.0° | 60.0° |
| CA | C | O | OXT | 39.9° | 179.9° |
| C | CA | N | H11 | 92.9° | 25.1° |
| C | CA | CB | H14 | 56.3° | 60.0° |
| C | CA | CB | H15 | 176.3° | 180.0° |
| C | CA | CB | H16 | 63.7° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | H12 | 37.9° | 120.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| H1 | C8 | C4 | H8 | 56.8° | 174.9° |
| H2 | C8 | C4 | H8 | 177.6° | 54.6° |
| H3 | C10 | C11 | H5 | 60.0° | 60.0° |
| H3 | C10 | C11 | H6 | 60.0° | 60.0° |
| H3 | C10 | C11 | H7 | 180.0° | 180.0° |
| H4 | C10 | C11 | H5 | 60.0° | 180.0° |
| H4 | C10 | C11 | H6 | 180.0° | 60.0° |
| H4 | C10 | C11 | H7 | 60.0° | 60.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C4 | C5 | H9 | 58.3° | 178.6° |
| H8 | C4 | C5 | H10 | 178.1° | 61.4° |
| H9 | C5 | C6 | H17 | 61.1° | 61.3° |
| H9 | C5 | C6 | H18 | 58.8° | 178.6° |
| H10 | C5 | C6 | H17 | 58.8° | 58.7° |
| H10 | C5 | C6 | H18 | 178.6° | 61.4° |
| H11 | N | CA | H12 | 147.6° | 145.0° |
| H12 | CA | CB | H14 | 61.2° | 60.0° |
| H12 | CA | CB | H15 | 58.8° | 60.0° |
| H12 | CA | CB | H16 | 178.8° | 180.0° |
| H12 | CA | C | OXT | 1.4° | 60.0° |
| H14 | CB | H15 | H16 | 120.0° | 120.0° |
| H17 | C6 | C7 | H19 | 58.2° | 65.5° |
| H17 | C6 | C7 | H20 | 62.9° | 54.9° |
| H18 | C6 | C7 | H19 | 178.0° | 54.5° |
| H18 | C6 | C7 | H20 | 57.0° | 174.9° |
