SU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N1 | C8 | sing | 1.39Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.47Å | 1.36Å | |
| C3 | C9 | sing | 1.48Å | 1.44Å | |
| C3 | C10 | doub | 1.38Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C2' | sing | 1.41Å | 1.50Å | |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| N1' | C2' | sing | 1.38Å | 1.33Å | Aromatic |
| N1' | C5' | sing | 1.36Å | 1.33Å | Aromatic |
| N1' | HN1' | sing | 0.97Å | 1.02Å | |
| C2' | C3' | doub | 1.39Å | 1.36Å | Aromatic |
| C3' | C4' | sing | 1.40Å | 1.37Å | Aromatic |
| C3' | C12 | sing | 1.51Å | 1.52Å | |
| C4' | C5' | doub | 1.36Å | 1.37Å | Aromatic |
| C4' | C11 | sing | 1.51Å | 1.54Å | |
| C5' | H5'1 | sing | 1.08Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | O3 | doub | 1.21Å | 1.26Å | |
| C14 | O4 | sing | 1.34Å | 1.26Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8 | 109.1° | 111.4° |
| C2 | N1 | HN1 | 125.5° | 124.3° |
| N1 | C2 | O2 | 120.6° | 126.0° |
| N1 | C2 | C3 | 110.5° | 108.0° |
| C8 | N1 | HN1 | 125.5° | 124.3° |
| N1 | C8 | C7 | 130.3° | 131.7° |
| N1 | C8 | C9 | 107.1° | 109.1° |
| O2 | C2 | C3 | 128.8° | 126.0° |
| C2 | C3 | C9 | 106.1° | 105.1° |
| C2 | C3 | C10 | 128.4° | 127.4° |
| C9 | C3 | C10 | 125.5° | 127.5° |
| C3 | C9 | C4 | 134.0° | 133.3° |
| C3 | C9 | C8 | 107.1° | 106.4° |
| C3 | C10 | C2' | 128.3° | 120.0° |
| C3 | C10 | H101 | 116.5° | 120.0° |
| C5 | C4 | C9 | 118.6° | 119.7° |
| C5 | C4 | H4 | 120.6° | 120.2° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C4 | C5 | H5 | 119.0° | 119.9° |
| C9 | C4 | H4 | 120.8° | 120.1° |
| C4 | C9 | C8 | 118.9° | 120.3° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | C7 | 121.5° | 120.6° |
| C5 | C6 | H6 | 120.8° | 119.7° |
| C7 | C6 | H6 | 117.7° | 119.7° |
| C6 | C7 | C8 | 117.4° | 120.1° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C8 | C7 | H7 | 122.6° | 120.0° |
| C7 | C8 | C9 | 122.6° | 119.1° |
| C2' | C10 | H101 | 115.2° | 120.0° |
| C10 | C2' | N1' | 125.1° | 126.3° |
| C10 | C2' | C3' | 124.8° | 126.3° |
| C2' | N1' | C5' | 107.3° | 108.6° |
| C2' | N1' | HN1' | 126.5° | 125.7° |
| N1' | C2' | C3' | 110.1° | 107.4° |
| C5' | N1' | HN1' | 126.2° | 125.7° |
| N1' | C5' | C4' | 109.9° | 109.0° |
| N1' | C5' | H5'1 | 123.7° | 125.5° |
| C2' | C3' | C4' | 106.5° | 107.1° |
| C2' | C3' | C12 | 125.2° | 126.5° |
| C4' | C3' | C12 | 128.2° | 126.4° |
| C3' | C4' | C5' | 106.2° | 108.0° |
| C3' | C4' | C11 | 126.5° | 126.1° |
| C3' | C12 | C13 | 110.7° | 109.5° |
| C3' | C12 | H121 | 111.7° | 109.5° |
| C3' | C12 | H122 | 111.7° | 109.5° |
| C5' | C4' | C11 | 127.2° | 126.0° |
| C4' | C5' | H5'1 | 126.5° | 125.5° |
| C4' | C11 | H111 | 126.5° | 109.5° |
| C4' | C11 | H112 | 106.2° | 109.4° |
| C4' | C11 | H113 | 106.2° | 109.5° |
| H111 | C11 | H112 | 106.2° | 109.5° |
| H111 | C11 | H113 | 106.2° | 109.5° |
| H112 | C11 | H113 | 103.3° | 109.5° |
| C13 | C12 | H121 | 111.8° | 109.5° |
| C13 | C12 | H122 | 111.8° | 109.4° |
| C12 | C13 | C14 | 115.4° | 109.5° |
| C12 | C13 | H131 | 110.0° | 109.5° |
| C12 | C13 | H132 | 110.0° | 109.5° |
| H121 | C12 | H122 | 98.7° | 109.5° |
| C14 | C13 | H131 | 110.1° | 109.4° |
| C14 | C13 | H132 | 110.1° | 109.5° |
| C13 | C14 | O3 | 120.1° | 120.0° |
| C13 | C14 | O4 | 116.2° | 120.1° |
| H131 | C13 | H132 | 100.1° | 109.5° |
| O3 | C14 | O4 | 123.6° | 120.0° |
| C14 | O4 | HO4 | 116.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8 | HN1 | 180.0° | 179.9° |
| N1 | C2 | O2 | C3 | 178.8° | 179.9° |
| N1 | C2 | C3 | C9 | 1.2° | 0.3° |
| N1 | C2 | C3 | C10 | 177.5° | 180.0° |
| C2 | N1 | C8 | C7 | 179.9° | 180.0° |
| C2 | N1 | C8 | C9 | 0.3° | 0.3° |
| C8 | N1 | C2 | O2 | 180.0° | 180.0° |
| C8 | N1 | C2 | C3 | 1.0° | 0.0° |
| N1 | C8 | C9 | C3 | 0.4° | 0.5° |
| N1 | C8 | C9 | C4 | 180.0° | 179.6° |
| N1 | C8 | C7 | C6 | 179.9° | 180.0° |
| N1 | C8 | C7 | C9 | 179.7° | 179.6° |
| N1 | C8 | C7 | H7 | 0.1° | 0.1° |
| HN1 | N1 | C2 | O2 | 0.0° | 0.0° |
| HN1 | N1 | C2 | C3 | 179.0° | 179.9° |
| HN1 | N1 | C8 | C7 | 0.1° | 0.1° |
| HN1 | N1 | C8 | C9 | 179.7° | 179.8° |
| O2 | C2 | C3 | C9 | 179.9° | 179.8° |
| O2 | C2 | C3 | C10 | 1.4° | 0.1° |
| C2 | C3 | C9 | C10 | 178.8° | 179.7° |
| C2 | C3 | C9 | C4 | 179.5° | 179.5° |
| C2 | C3 | C9 | C8 | 0.9° | 0.5° |
| C2 | C3 | C10 | C2' | 10.5° | 7.2° |
| C2 | C3 | C10 | H101 | 169.5° | 172.8° |
| C3 | C9 | C4 | C5 | 179.4° | 179.6° |
| C3 | C9 | C4 | C8 | 179.5° | 178.9° |
| C3 | C9 | C4 | H4 | 0.5° | 0.8° |
| C3 | C9 | C8 | C7 | 179.4° | 179.8° |
| C9 | C3 | C10 | C2' | 168.0° | 172.4° |
| C9 | C3 | C10 | H101 | 12.0° | 7.6° |
| C10 | C3 | C9 | C4 | 1.7° | 0.9° |
| C10 | C3 | C9 | C8 | 177.8° | 179.9° |
| C3 | C10 | C2' | H101 | 180.0° | 180.0° |
| C3 | C10 | C2' | N1' | 9.8° | 33.5° |
| C3 | C10 | C2' | C3' | 171.1° | 146.8° |
| C5 | C4 | C9 | H4 | 180.0° | 179.6° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C9 | C8 | 0.1° | 0.7° |
| C9 | C4 | C5 | C6 | 0.1° | 0.4° |
| C9 | C4 | C5 | H5 | 179.9° | 179.6° |
| C4 | C9 | C8 | C7 | 0.2° | 0.7° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H4 | C4 | C9 | C8 | 179.9° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.0° | 0.1° |
| C5 | C6 | C7 | H7 | 180.0° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 179.9° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.4° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| H7 | C7 | C8 | C9 | 179.8° | 179.7° |
| C10 | C2' | N1' | C3' | 179.2° | 179.7° |
| C10 | C2' | N1' | C5' | 179.6° | 180.0° |
| C10 | C2' | N1' | HN1' | 0.4° | 0.0° |
| C10 | C2' | C3' | C4' | 178.6° | 179.8° |
| C10 | C2' | C3' | C12 | 2.5° | 0.3° |
| H101 | C10 | C2' | N1' | 170.2° | 146.4° |
| H101 | C10 | C2' | C3' | 8.9° | 33.2° |
| C2' | N1' | C5' | HN1' | 180.0° | 180.0° |
| N1' | C2' | C3' | C4' | 2.2° | 0.5° |
| N1' | C2' | C3' | C12 | 178.3° | 180.0° |
| C2' | N1' | C5' | C4' | 0.4° | 0.0° |
| C2' | N1' | C5' | H5'1 | 179.6° | 180.0° |
| C5' | N1' | C2' | C3' | 1.1° | 0.3° |
| N1' | C5' | C4' | C3' | 1.7° | 0.3° |
| N1' | C5' | C4' | H5'1 | 180.0° | 180.0° |
| N1' | C5' | C4' | C11 | 179.4° | 180.0° |
| HN1' | N1' | C2' | C3' | 178.9° | 179.7° |
| HN1' | N1' | C5' | C4' | 179.6° | 180.0° |
| HN1' | N1' | C5' | H5'1 | 0.4° | 0.1° |
| C2' | C3' | C4' | C12 | 176.0° | 179.5° |
| C2' | C3' | C4' | C5' | 2.3° | 0.5° |
| C2' | C3' | C4' | C11 | 180.0° | 179.9° |
| C2' | C3' | C12 | C13 | 74.7° | 90.0° |
| C2' | C3' | C12 | H121 | 50.6° | 149.9° |
| C2' | C3' | C12 | H122 | 160.1° | 29.9° |
| C3' | C4' | C5' | C11 | 177.7° | 179.7° |
| C3' | C4' | C5' | H5'1 | 178.3° | 179.7° |
| C3' | C4' | C11 | H111 | 180.0° | 90.3° |
| C3' | C4' | C11 | H112 | 54.8° | 29.6° |
| C3' | C4' | C11 | H113 | 54.7° | 149.6° |
| C4' | C3' | C12 | C13 | 100.6° | 90.6° |
| C4' | C3' | C12 | H121 | 134.2° | 29.5° |
| C4' | C3' | C12 | H122 | 24.7° | 149.5° |
| C12 | C3' | C4' | C5' | 178.3° | 180.0° |
| C12 | C3' | C4' | C11 | 4.0° | 0.4° |
| C3' | C12 | C13 | H121 | 125.2° | 120.1° |
| C3' | C12 | C13 | H122 | 125.3° | 120.0° |
| C3' | C12 | H121 | H122 | 117.7° | 120.0° |
| C3' | C12 | C13 | C14 | 173.0° | 180.0° |
| C3' | C12 | C13 | H131 | 61.7° | 60.0° |
| C3' | C12 | C13 | H132 | 47.7° | 60.0° |
| C5' | C4' | C11 | H111 | 2.8° | 90.1° |
| C5' | C4' | C11 | H112 | 128.0° | 150.0° |
| C5' | C4' | C11 | H113 | 122.5° | 30.0° |
| C11 | C4' | C5' | H5'1 | 0.6° | 0.0° |
| C4' | C11 | H111 | H112 | 125.2° | 120.0° |
| C4' | C11 | H111 | H113 | 125.2° | 120.1° |
| C4' | C11 | H112 | H113 | 111.6° | 120.0° |
| H111 | C11 | H112 | H113 | 111.6° | 120.0° |
| C13 | C12 | H121 | H122 | 117.7° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 115.8° | 120.0° |
| C12 | C13 | C14 | O3 | 33.7° | 0.0° |
| C12 | C13 | C14 | O4 | 148.7° | 180.0° |
| H121 | C12 | C13 | C14 | 47.7° | 60.0° |
| H121 | C12 | C13 | H131 | 173.0° | 179.9° |
| H121 | C12 | C13 | H132 | 77.5° | 60.0° |
| H122 | C12 | C13 | C14 | 61.8° | 60.0° |
| H122 | C12 | C13 | H131 | 63.5° | 60.0° |
| H122 | C12 | C13 | H132 | 172.9° | 180.0° |
| C14 | C13 | H131 | H132 | 115.9° | 120.0° |
| C13 | C14 | O3 | O4 | 177.4° | 180.0° |
| C13 | C14 | O4 | HO4 | 180.0° | 180.0° |
| H131 | C13 | C14 | O3 | 159.0° | 120.0° |
| H131 | C13 | C14 | O4 | 23.4° | 60.0° |
| H132 | C13 | C14 | O3 | 91.6° | 120.0° |
| H132 | C13 | C14 | O4 | 86.0° | 60.0° |
| O3 | C14 | O4 | HO4 | 2.4° | 0.0° |
