SU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5' | C4' | sing | 1.35Å | 1.43Å | Aromatic |
| N5' | C1' | sing | 1.38Å | 1.46Å | Aromatic |
| N5' | H5' | sing | 0.97Å | 1.02Å | |
| C4' | N3' | doub | 1.31Å | 1.53Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| N3' | C2' | sing | 1.33Å | 1.54Å | Aromatic |
| C2' | C1' | doub | 1.38Å | 1.52Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C1' | C6' | sing | 1.41Å | 1.15Å | |
| C6' | C9 | doub | 1.38Å | 1.43Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C9 | C8 | sing | 1.47Å | 1.44Å | |
| C9 | C4 | sing | 1.48Å | 1.43Å | |
| C8 | O10 | doub | 1.22Å | 1.21Å | |
| C8 | N7 | sing | 1.34Å | 1.31Å | |
| N7 | C5 | sing | 1.39Å | 1.39Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | doub | 1.39Å | 1.44Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | O11 | sing | 1.36Å | 1.28Å | |
| C2 | C3 | sing | 1.38Å | 1.59Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.23Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4' | N5' | C1' | 112.6° | 107.2° |
| C4' | N5' | H5' | 123.0° | 126.4° |
| N5' | C4' | N3' | 107.0° | 109.4° |
| N5' | C4' | H4' | 123.9° | 125.4° |
| C1' | N5' | H5' | 124.5° | 126.4° |
| N5' | C1' | C2' | 106.8° | 106.0° |
| N5' | C1' | C6' | 129.4° | 127.0° |
| N3' | C4' | H4' | 129.1° | 125.2° |
| C4' | N3' | C2' | 106.3° | 109.9° |
| N3' | C2' | C1' | 105.9° | 107.5° |
| N3' | C2' | H2' | 127.4° | 126.2° |
| C1' | C2' | H2' | 126.7° | 126.2° |
| C2' | C1' | C6' | 123.0° | 127.0° |
| C1' | C6' | C9 | 121.3° | 120.0° |
| C1' | C6' | H6' | 108.5° | 120.0° |
| C9 | C6' | H6' | 130.2° | 120.0° |
| C6' | C9 | C8 | 133.3° | 127.4° |
| C6' | C9 | C4 | 124.5° | 127.5° |
| C8 | C9 | C4 | 102.1° | 105.1° |
| C9 | C8 | O10 | 125.8° | 126.0° |
| C9 | C8 | N7 | 114.6° | 108.1° |
| C9 | C4 | C5 | 107.3° | 106.4° |
| C9 | C4 | C3 | 126.4° | 133.2° |
| O10 | C8 | N7 | 119.5° | 126.0° |
| C8 | N7 | C5 | 105.2° | 111.3° |
| C8 | N7 | HN7 | 125.3° | 124.4° |
| C5 | N7 | HN7 | 129.5° | 124.3° |
| N7 | C5 | C6 | 129.7° | 131.7° |
| N7 | C5 | C4 | 110.7° | 109.2° |
| C6 | C5 | C4 | 119.6° | 119.1° |
| C5 | C6 | C1 | 119.1° | 120.2° |
| C5 | C6 | H6 | 121.3° | 119.9° |
| C5 | C4 | C3 | 126.3° | 120.4° |
| C1 | C6 | H6 | 119.6° | 119.9° |
| C6 | C1 | C2 | 122.6° | 120.6° |
| C6 | C1 | H1 | 120.1° | 119.7° |
| C2 | C1 | H1 | 117.3° | 119.8° |
| C1 | C2 | O11 | 123.0° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| O11 | C2 | C3 | 117.3° | 120.0° |
| C2 | O11 | C12 | 124.8° | 106.8° |
| C2 | C3 | C4 | 112.7° | 119.7° |
| C2 | C3 | H3 | 129.3° | 120.2° |
| O11 | C12 | H121 | 106.8° | 109.4° |
| O11 | C12 | H122 | 124.8° | 109.5° |
| O11 | C12 | H123 | 106.8° | 109.5° |
| H121 | C12 | H122 | 106.8° | 109.4° |
| H121 | C12 | H123 | 102.8° | 109.5° |
| H122 | C12 | H123 | 106.7° | 109.5° |
| C4 | C3 | H3 | 118.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4' | N5' | C1' | H5' | 180.0° | 179.9° |
| N5' | C4' | N3' | H4' | 180.0° | 179.9° |
| N5' | C4' | N3' | C2' | 7.8° | 0.3° |
| C4' | N5' | C1' | C2' | 7.1° | 0.2° |
| C4' | N5' | C1' | C6' | 177.1° | 180.0° |
| C1' | N5' | C4' | N3' | 0.5° | 0.1° |
| C1' | N5' | C4' | H4' | 179.6° | 180.0° |
| N5' | C1' | C2' | N3' | 11.6° | 0.3° |
| N5' | C1' | C2' | C6' | 170.8° | 179.8° |
| N5' | C1' | C2' | H2' | 168.5° | 179.9° |
| N5' | C1' | C6' | C9 | 11.2° | 36.4° |
| N5' | C1' | C6' | H6' | 168.8° | 143.7° |
| H5' | N5' | C4' | N3' | 179.5° | 180.0° |
| H5' | N5' | C4' | H4' | 0.4° | 0.1° |
| H5' | N5' | C1' | C2' | 172.9° | 179.8° |
| H5' | N5' | C1' | C6' | 2.9° | 0.1° |
| C4' | N3' | C2' | C1' | 11.8° | 0.4° |
| C4' | N3' | C2' | H2' | 168.2° | 180.0° |
| H4' | C4' | N3' | C2' | 172.3° | 179.8° |
| N3' | C2' | C1' | H2' | 180.0° | 179.6° |
| N3' | C2' | C1' | C6' | 177.6° | 179.9° |
| C2' | C1' | C6' | C9 | 179.7° | 143.3° |
| C2' | C1' | C6' | H6' | 0.2° | 36.6° |
| H2' | C2' | C1' | C6' | 2.3° | 0.3° |
| C1' | C6' | C9 | H6' | 180.0° | 179.9° |
| C1' | C6' | C9 | C8 | 5.3° | 7.0° |
| C1' | C6' | C9 | C4 | 177.2° | 173.1° |
| C6' | C9 | C8 | C4 | 177.9° | 180.0° |
| C6' | C9 | C8 | O10 | 1.2° | 0.1° |
| C6' | C9 | C8 | N7 | 178.6° | 180.0° |
| C6' | C9 | C4 | C5 | 178.7° | 180.0° |
| C6' | C9 | C4 | C3 | 1.0° | 0.4° |
| H6' | C6' | C9 | C8 | 174.7° | 172.9° |
| H6' | C6' | C9 | C4 | 2.8° | 7.0° |
| C9 | C8 | O10 | N7 | 179.8° | 179.9° |
| C9 | C8 | N7 | C5 | 0.5° | 0.1° |
| C9 | C8 | N7 | HN7 | 179.5° | 180.0° |
| C8 | C9 | C4 | C5 | 0.6° | 0.0° |
| C8 | C9 | C4 | C3 | 179.2° | 179.6° |
| C4 | C9 | C8 | O10 | 179.1° | 180.0° |
| C4 | C9 | C8 | N7 | 0.7° | 0.0° |
| C9 | C4 | C5 | N7 | 0.4° | 0.0° |
| C9 | C4 | C5 | C6 | 179.9° | 180.0° |
| C9 | C4 | C5 | C3 | 179.8° | 179.6° |
| C9 | C4 | C3 | C2 | 179.9° | 179.8° |
| C9 | C4 | C3 | H3 | 0.1° | 0.1° |
| O10 | C8 | N7 | C5 | 179.3° | 180.0° |
| O10 | C8 | N7 | HN7 | 0.7° | 0.1° |
| C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 179.6° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C5 | C6 | C4 | 179.6° | 180.0° |
| N7 | C5 | C6 | C1 | 179.5° | 180.0° |
| N7 | C5 | C6 | H6 | 0.5° | 0.1° |
| N7 | C5 | C4 | C3 | 179.4° | 179.6° |
| HN7 | N7 | C5 | C6 | 0.4° | 0.0° |
| HN7 | N7 | C5 | C4 | 180.0° | 180.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.4° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.7° |
| C5 | C4 | C3 | H3 | 179.8° | 179.6° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | O11 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| H6 | C6 | C1 | C2 | 180.0° | 179.9° |
| H6 | C6 | C1 | H1 | 0.0° | 0.1° |
| C1 | C2 | O11 | C3 | 179.9° | 179.8° |
| C1 | C2 | O11 | C12 | 179.9° | 0.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.6° |
| C1 | C2 | C3 | H3 | 180.0° | 179.7° |
| H1 | C1 | C2 | O11 | 0.2° | 0.1° |
| H1 | C1 | C2 | C3 | 179.9° | 179.7° |
| C2 | O11 | C12 | H121 | 54.7° | 179.9° |
| C2 | O11 | C12 | H122 | 180.0° | 60.0° |
| C2 | O11 | C12 | H123 | 54.7° | 60.0° |
| O11 | C2 | C3 | C4 | 179.9° | 179.6° |
| O11 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C2 | O11 | C12 | 0.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| O11 | C12 | H121 | H122 | 135.6° | 120.0° |
| O11 | C12 | H121 | H123 | 112.2° | 120.0° |
| O11 | C12 | H122 | H123 | 125.2° | 120.1° |
| H121 | C12 | H122 | H123 | 109.5° | 120.0° |
