QUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.24Å | 1.21Å | |
| C11 | C2 | sing | 1.45Å | 1.50Å | |
| C11 | O1' | sing | 1.36Å | 17.76Å | |
| C2 | N1 | doub | 1.35Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| N1 | C9 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.35Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C13 | sing | 1.50Å | 1.56Å | |
| C8 | O16 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.54Å | 1.58Å | |
| C8 | HC8 | sing | 1.10Å | 1.11Å | |
| C10 | C5 | sing | 1.46Å | 1.47Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C7 | C6 | sing | 1.50Å | 1.52Å | |
| C7 | HC71 | sing | 1.10Å | 1.11Å | |
| C7 | HC72 | sing | 1.10Å | 1.11Å | |
| C13 | O15 | sing | 1.43Å | 1.34Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.10Å | 1.12Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.34Å | 1.29Å | |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.10Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C6 | HC6 | sing | 1.09Å | 1.10Å | |
| O1' | H1' | sing | 0.98Å | 16.55Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C2 | 123.3° | 125.5° |
| O12 | C11 | O1' | 43.2° | 122.0° |
| C2 | C11 | O1' | 80.2° | 112.5° |
| C11 | C2 | N1 | 118.9° | 115.6° |
| C11 | C2 | C3 | 116.6° | 120.3° |
| C11 | O1' | H1' | 4.3° | 113.2° |
| N1 | C2 | C3 | 124.5° | 124.1° |
| C2 | N1 | C9 | 116.5° | 116.9° |
| C2 | C3 | C4 | 118.3° | 118.0° |
| C2 | C3 | HC3 | 123.3° | 121.1° |
| N1 | C9 | C8 | 114.4° | 117.1° |
| N1 | C9 | C10 | 123.2° | 123.2° |
| C4 | C3 | HC3 | 118.4° | 121.0° |
| C3 | C4 | C10 | 120.2° | 119.8° |
| C3 | C4 | C13 | 119.3° | 117.8° |
| C8 | C9 | C10 | 122.0° | 119.7° |
| C9 | C8 | O16 | 109.9° | 109.2° |
| C9 | C8 | C7 | 112.2° | 113.4° |
| C9 | C8 | HC8 | 106.3° | 109.7° |
| C9 | C10 | C4 | 117.3° | 118.0° |
| C9 | C10 | C5 | 116.4° | 120.7° |
| C10 | C4 | C13 | 120.6° | 122.4° |
| C4 | C10 | C5 | 126.4° | 121.3° |
| C4 | C13 | O15 | 112.0° | 108.9° |
| C4 | C13 | C14 | 109.8° | 112.9° |
| C4 | C13 | H13 | 108.6° | 111.7° |
| O16 | C8 | C7 | 106.1° | 108.5° |
| O16 | C8 | HC8 | 112.4° | 106.8° |
| C8 | O16 | H16 | 109.9° | 106.5° |
| C7 | C8 | HC8 | 110.1° | 109.0° |
| C8 | C7 | C6 | 109.7° | 113.2° |
| C8 | C7 | HC71 | 112.1° | 109.8° |
| C8 | C7 | HC72 | 112.1° | 109.8° |
| C10 | C5 | C6 | 123.7° | 120.1° |
| C10 | C5 | HC5 | 124.9° | 118.9° |
| C6 | C7 | HC71 | 112.1° | 108.9° |
| C6 | C7 | HC72 | 112.1° | 107.4° |
| C7 | C6 | C5 | 123.0° | 122.8° |
| C7 | C6 | HC6 | 127.1° | 117.8° |
| HC71 | C7 | HC72 | 98.4° | 107.5° |
| O15 | C13 | C14 | 112.5° | 108.4° |
| O15 | C13 | H13 | 105.7° | 106.6° |
| C13 | O15 | H15 | 112.0° | 106.3° |
| C14 | C13 | H13 | 108.0° | 108.1° |
| C13 | C14 | H141 | 109.8° | 111.2° |
| C13 | C14 | H142 | 112.1° | 111.4° |
| C13 | C14 | H143 | 112.0° | 110.7° |
| C6 | C5 | HC5 | 111.4° | 121.0° |
| C5 | C6 | HC6 | 109.9° | 119.4° |
| H141 | C14 | H142 | 112.1° | 108.3° |
| H141 | C14 | H143 | 112.1° | 108.6° |
| H142 | C14 | H143 | 98.4° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C2 | O1' | 2.9° | 179.9° |
| O12 | C11 | C2 | N1 | 174.8° | 179.7° |
| O12 | C11 | C2 | C3 | 5.8° | 0.0° |
| O12 | C11 | O1' | H1' | 44.1° | 0.1° |
| C11 | C2 | N1 | C3 | 179.3° | 179.7° |
| C11 | C2 | N1 | C9 | 178.5° | 179.1° |
| C11 | C2 | C3 | C4 | 178.8° | 179.4° |
| C11 | C2 | C3 | HC3 | 1.2° | 0.6° |
| C2 | C11 | O1' | H1' | 139.4° | 180.0° |
| O1' | C11 | C2 | N1 | 177.7° | 0.4° |
| O1' | C11 | C2 | C3 | 2.9° | 179.9° |
| N1 | C2 | C3 | C4 | 0.5° | 0.3° |
| N1 | C2 | C3 | HC3 | 179.5° | 179.7° |
| C2 | N1 | C9 | C8 | 172.6° | 177.0° |
| C2 | N1 | C9 | C10 | 0.2° | 0.3° |
| C3 | C2 | N1 | C9 | 0.8° | 0.5° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C10 | 0.8° | 0.3° |
| C2 | C3 | C4 | C13 | 178.0° | 179.4° |
| N1 | C9 | C8 | C10 | 172.5° | 176.8° |
| N1 | C9 | C10 | C4 | 1.4° | 0.2° |
| N1 | C9 | C8 | O16 | 87.1° | 83.3° |
| N1 | C9 | C8 | C7 | 155.2° | 155.6° |
| N1 | C9 | C8 | HC8 | 34.8° | 33.4° |
| N1 | C9 | C10 | C5 | 177.5° | 179.9° |
| C3 | C4 | C10 | C9 | 1.7° | 0.5° |
| C3 | C4 | C10 | C13 | 178.7° | 179.6° |
| C3 | C4 | C10 | C5 | 177.1° | 179.8° |
| C3 | C4 | C13 | O15 | 23.9° | 92.5° |
| C3 | C4 | C13 | C14 | 101.9° | 28.0° |
| C3 | C4 | C13 | H13 | 140.2° | 150.0° |
| HC3 | C3 | C4 | C10 | 179.2° | 179.8° |
| HC3 | C3 | C4 | C13 | 2.0° | 0.6° |
| C8 | C9 | C10 | C4 | 173.2° | 176.4° |
| C9 | C8 | O16 | C7 | 121.5° | 124.1° |
| C9 | C8 | O16 | HC8 | 118.2° | 118.6° |
| C9 | C8 | C7 | HC8 | 118.2° | 122.5° |
| C8 | C9 | C10 | C5 | 5.7° | 3.3° |
| C9 | C8 | O16 | H16 | 179.9° | 94.5° |
| C9 | C8 | C7 | C6 | 40.0° | 36.3° |
| C9 | C8 | C7 | HC71 | 85.2° | 158.1° |
| C9 | C8 | C7 | HC72 | 165.2° | 83.8° |
| C9 | C10 | C4 | C5 | 178.8° | 179.7° |
| C9 | C10 | C4 | C13 | 177.0° | 179.1° |
| C10 | C9 | C8 | O16 | 85.4° | 93.5° |
| C10 | C9 | C8 | C7 | 32.4° | 27.6° |
| C10 | C9 | C8 | HC8 | 152.7° | 149.8° |
| C9 | C10 | C5 | C6 | 13.0° | 12.3° |
| C9 | C10 | C5 | HC5 | 167.0° | 170.0° |
| C10 | C4 | C13 | O15 | 157.3° | 87.2° |
| C10 | C4 | C13 | C14 | 76.9° | 152.4° |
| C10 | C4 | C13 | H13 | 41.0° | 30.4° |
| C4 | C10 | C5 | C6 | 168.2° | 168.0° |
| C4 | C10 | C5 | HC5 | 11.9° | 9.7° |
| C13 | C4 | C10 | C5 | 4.2° | 0.6° |
| C4 | C13 | O15 | C14 | 124.3° | 123.1° |
| C4 | C13 | O15 | H13 | 118.1° | 120.7° |
| C4 | C13 | C14 | H13 | 118.3° | 124.1° |
| C4 | C13 | O15 | H15 | 180.0° | 37.6° |
| C4 | C13 | C14 | H141 | 180.0° | 58.9° |
| C4 | C13 | C14 | H142 | 54.8° | 62.0° |
| C4 | C13 | C14 | H143 | 54.7° | 179.7° |
| O16 | C8 | C7 | HC8 | 121.9° | 115.9° |
| O16 | C8 | C7 | C6 | 79.9° | 85.3° |
| O16 | C8 | C7 | HC71 | 154.8° | 36.6° |
| O16 | C8 | C7 | HC72 | 45.3° | 154.7° |
| C7 | C8 | O16 | H16 | 58.5° | 29.6° |
| C8 | C7 | C6 | HC71 | 125.3° | 122.4° |
| C8 | C7 | C6 | HC72 | 125.2° | 121.4° |
| C8 | C7 | HC71 | HC72 | 118.1° | 119.5° |
| C8 | C7 | C6 | C5 | 26.1° | 23.6° |
| C8 | C7 | C6 | HC6 | 153.9° | 158.0° |
| HC8 | C8 | O16 | H16 | 61.9° | 146.9° |
| HC8 | C8 | C7 | C6 | 158.2° | 158.8° |
| HC8 | C8 | C7 | HC71 | 33.0° | 79.3° |
| HC8 | C8 | C7 | HC72 | 76.6° | 38.8° |
| C10 | C5 | C6 | C7 | 0.8° | 1.0° |
| C10 | C5 | C6 | HC5 | 180.0° | 177.7° |
| C10 | C5 | C6 | HC6 | 179.2° | 177.4° |
| C6 | C7 | HC71 | HC72 | 118.0° | 116.1° |
| C7 | C6 | C5 | HC6 | 180.0° | 178.4° |
| C7 | C6 | C5 | HC5 | 179.2° | 178.7° |
| HC71 | C7 | C6 | C5 | 99.2° | 146.0° |
| HC71 | C7 | C6 | HC6 | 80.8° | 35.6° |
| HC72 | C7 | C6 | C5 | 151.3° | 97.8° |
| HC72 | C7 | C6 | HC6 | 28.7° | 80.6° |
| O15 | C13 | C14 | H13 | 116.2° | 115.2° |
| O15 | C13 | C14 | H141 | 54.5° | 179.6° |
| O15 | C13 | C14 | H142 | 70.7° | 58.7° |
| O15 | C13 | C14 | H143 | 179.8° | 59.6° |
| C14 | C13 | O15 | H15 | 55.7° | 85.5° |
| C13 | C14 | H141 | H142 | 125.2° | 122.7° |
| C13 | C14 | H141 | H143 | 125.2° | 122.1° |
| C13 | C14 | H142 | H143 | 118.0° | 120.8° |
| H13 | C13 | O15 | H15 | 61.9° | 158.3° |
| H13 | C13 | C14 | H141 | 61.7° | 65.1° |
| H13 | C13 | C14 | H142 | 173.1° | 173.9° |
| H13 | C13 | C14 | H143 | 63.6° | 55.7° |
| HC5 | C5 | C6 | HC6 | 0.8° | 0.3° |
| H141 | C14 | H142 | H143 | 118.1° | 116.6° |
