9SY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.51Å | |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.48Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.41Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C1 | sing | 1.46Å | 1.47Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C3 | sing | 1.51Å | 1.52Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 119.6° | 109.5° |
| OP2 | P | O5' | 108.2° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 108.8° | 109.4° |
| N6 | C6 | C5 | 120.8° | 120.8° |
| N6 | C6 | N1 | 121.5° | 120.8° |
| C6 | N6 | H61 | 120.0° | 120.1° |
| C6 | N6 | H62 | 120.0° | 120.0° |
| C8 | N7 | C5 | 107.3° | 109.4° |
| N7 | C8 | N9 | 108.9° | 110.0° |
| N7 | C8 | H8 | 125.6° | 125.0° |
| N7 | C5 | C6 | 134.4° | 134.7° |
| N7 | C5 | C4 | 107.7° | 107.1° |
| OP1 | P | O5' | 107.9° | 109.5° |
| OP1 | P | OP3 | 107.8° | 109.5° |
| P | O5' | C5' | 120.5° | 123.0° |
| O5' | P | OP3 | 103.4° | 109.5° |
| C8 | N9 | C4 | 108.6° | 107.4° |
| C8 | N9 | C1' | 127.2° | 126.3° |
| N9 | C8 | H8 | 125.6° | 124.9° |
| C6 | C5 | C4 | 117.9° | 118.2° |
| C5 | C6 | N1 | 117.8° | 118.5° |
| C5 | C4 | N9 | 107.5° | 106.0° |
| C5 | C4 | N3 | 120.4° | 119.1° |
| C6 | N1 | C1 | 120.6° | 119.4° |
| C6 | N1 | C2 | 119.3° | 121.2° |
| O5' | C5' | C4' | 111.5° | 109.5° |
| O5' | C5' | H5' | 108.9° | 109.4° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| C4 | N9 | C1' | 124.2° | 126.2° |
| N9 | C4 | N3 | 132.1° | 135.0° |
| N9 | C1' | C2' | 114.7° | 110.5° |
| N9 | C1' | O4' | 108.6° | 110.4° |
| N9 | C1' | H1' | 109.3° | 110.3° |
| C4 | N3 | C2 | 121.9° | 120.6° |
| C1 | N1 | C2 | 120.1° | 119.4° |
| N1 | C1 | C3 | 110.9° | 109.4° |
| N1 | C1 | H3 | 109.1° | 109.5° |
| N1 | C1 | H4 | 109.1° | 109.5° |
| N1 | C2 | N3 | 122.8° | 122.5° |
| N1 | C2 | H2 | 118.6° | 118.7° |
| C1 | C3 | C12 | 120.2° | 120.0° |
| C1 | C3 | C7 | 120.0° | 120.0° |
| C3 | C1 | H3 | 109.1° | 109.5° |
| C3 | C1 | H4 | 109.1° | 109.5° |
| C5' | C4' | O4' | 109.0° | 110.4° |
| C5' | C4' | C3' | 115.2° | 110.4° |
| C5' | C4' | H4' | 108.7° | 110.3° |
| C4' | C5' | H5' | 109.0° | 109.4° |
| C4' | C5' | H5'' | 109.0° | 109.5° |
| O2' | C2' | C1' | 111.9° | 110.6° |
| O2' | C2' | C3' | 114.5° | 110.5° |
| O2' | C2' | H2' | 110.7° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | C3' | 101.0° | 104.1° |
| C2' | C1' | O4' | 105.6° | 104.8° |
| C2' | C1' | H1' | 108.5° | 110.3° |
| C1' | C2' | H2' | 109.1° | 110.5° |
| C2' | C3' | C4' | 102.5° | 104.0° |
| C2' | C3' | O3' | 109.1° | 110.5° |
| C3' | C2' | H2' | 109.1° | 110.6° |
| C2' | C3' | H3' | 111.4° | 110.6° |
| C1' | O4' | C4' | 109.4° | 105.3° |
| O4' | C1' | H1' | 110.0° | 110.4° |
| O4' | C4' | C3' | 106.1° | 104.8° |
| O4' | C4' | H4' | 109.4° | 110.4° |
| N3 | C2 | H2 | 118.6° | 118.8° |
| C4' | C3' | O3' | 109.1° | 110.5° |
| C4' | C3' | H3' | 111.3° | 110.5° |
| C3' | C4' | H4' | 108.4° | 110.4° |
| O3' | C3' | H3' | 112.9° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C12 | C3 | C7 | 119.8° | 120.0° |
| C3 | C12 | C11 | 120.1° | 120.0° |
| C3 | C12 | H5 | 119.9° | 120.0° |
| C3 | C7 | C9 | 120.1° | 120.0° |
| C3 | C7 | H13 | 119.9° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H1 | 120.0° | 120.0° |
| C11 | C12 | H5 | 120.0° | 120.0° |
| C7 | C9 | C10 | 120.0° | 120.0° |
| C9 | C7 | H13 | 120.0° | 120.0° |
| C7 | C9 | H15 | 120.0° | 120.0° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C10 | C11 | H1 | 120.0° | 120.0° |
| C11 | C10 | H6 | 120.0° | 120.0° |
| C9 | C10 | H6 | 119.9° | 120.0° |
| C10 | C9 | H15 | 120.0° | 120.0° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H5' | C5' | H5'' | 109.4° | 109.5° |
| H61 | N6 | H62 | 120.0° | 119.9° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 124.1° | 120.1° |
| OP2 | P | OP1 | OP3 | 124.9° | 120.0° |
| OP2 | P | O5' | OP3 | 115.3° | 120.0° |
| OP2 | P | O5' | C5' | 169.6° | 175.0° |
| OP2 | P | OP3 | HOP3 | 131.1° | 60.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.3° |
| N6 | C6 | C5 | N1 | 180.0° | 179.7° |
| N6 | C6 | C5 | C4 | 179.9° | 180.0° |
| N6 | C6 | N1 | C1 | 0.2° | 0.3° |
| N6 | C6 | N1 | C2 | 179.7° | 179.8° |
| C6 | N6 | H61 | H62 | 180.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.6° |
| C8 | N7 | C5 | C6 | 179.9° | 179.9° |
| C8 | N7 | C5 | C4 | 0.0° | 0.2° |
| N7 | C8 | N9 | C4 | 0.1° | 0.4° |
| N7 | C8 | N9 | C1' | 179.6° | 180.0° |
| C5 | N7 | C8 | N9 | 0.0° | 0.4° |
| N7 | C5 | C6 | C4 | 180.0° | 179.7° |
| N7 | C5 | C6 | N1 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 179.9° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| OP1 | P | O5' | OP3 | 114.0° | 120.0° |
| OP1 | P | O5' | C5' | 59.6° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 59.9° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| P | O5' | C5' | C4' | 145.9° | 180.0° |
| P | O5' | C5' | H5' | 25.6° | 60.1° |
| P | O5' | C5' | H5'' | 93.8° | 60.0° |
| O5' | P | OP2 | HOP2 | 124.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 114.1° | 60.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| C8 | N9 | C4 | C1' | 179.7° | 179.6° |
| C8 | N9 | C4 | N3 | 179.9° | 179.7° |
| C8 | N9 | C1' | C2' | 9.3° | 92.0° |
| C8 | N9 | C1' | O4' | 108.6° | 23.5° |
| C8 | N9 | C1' | H1' | 131.3° | 145.8° |
| C6 | C5 | C4 | N9 | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.0° | 0.3° |
| C5 | C6 | N1 | C1 | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.1° |
| C5 | C6 | N6 | H61 | 180.0° | 0.0° |
| C5 | C6 | N6 | H62 | 0.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | N9 | N3 | 179.8° | 179.9° |
| C5 | C4 | N9 | C1' | 179.6° | 179.8° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C6 | N1 | C1 | C2 | 179.5° | 180.0° |
| C6 | N1 | C1 | C3 | 161.1° | 85.1° |
| C6 | N1 | C2 | N3 | 0.4° | 0.2° |
| C6 | N1 | C1 | H3 | 78.7° | 34.9° |
| C6 | N1 | C1 | H4 | 40.8° | 155.0° |
| C6 | N1 | C2 | H2 | 179.6° | 179.9° |
| N1 | C6 | N6 | H61 | 0.0° | 179.7° |
| N1 | C6 | N6 | H62 | 180.0° | 0.3° |
| O5' | C5' | C4' | H5' | 120.3° | 119.9° |
| O5' | C5' | C4' | H5'' | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 75.1° | 69.6° |
| O5' | C5' | C4' | C3' | 44.0° | 175.0° |
| O5' | C5' | C4' | H4' | 165.8° | 52.7° |
| O5' | C5' | H5' | H5'' | 119.0° | 120.0° |
| C5' | O5' | P | OP3 | 54.4° | 65.0° |
| C4 | N9 | C1' | C2' | 170.4° | 87.5° |
| C4 | N9 | C1' | O4' | 71.7° | 157.0° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C4 | N9 | C1' | H1' | 48.3° | 34.7° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| C1' | N9 | C4 | N3 | 0.2° | 0.1° |
| N9 | C1' | C2' | O2' | 80.6° | 98.5° |
| N9 | C1' | C2' | O4' | 119.6° | 118.9° |
| N9 | C1' | C2' | H1' | 122.5° | 122.3° |
| N9 | C1' | C2' | C3' | 157.1° | 142.9° |
| N9 | C1' | O4' | H1' | 119.6° | 122.2° |
| N9 | C1' | O4' | C4' | 146.9° | 159.5° |
| N9 | C1' | C2' | H2' | 42.2° | 24.1° |
| C1' | N9 | C8 | H8 | 0.4° | 0.4° |
| C4 | N3 | C2 | N1 | 0.4° | 0.3° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| N1 | C1 | C3 | H3 | 120.2° | 120.0° |
| N1 | C1 | C3 | H4 | 120.2° | 120.0° |
| C1 | N1 | C2 | N3 | 179.9° | 179.7° |
| N1 | C1 | C3 | C12 | 85.3° | 90.0° |
| N1 | C1 | C3 | C7 | 95.1° | 90.0° |
| N1 | C1 | H3 | H4 | 119.3° | 120.0° |
| C1 | N1 | C2 | H2 | 0.1° | 0.0° |
| C2 | N1 | C1 | C3 | 19.4° | 95.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.7° |
| C2 | N1 | C1 | H3 | 100.8° | 145.0° |
| C2 | N1 | C1 | H4 | 139.7° | 25.0° |
| C1 | C3 | C12 | C7 | 179.6° | 180.0° |
| C1 | C3 | C12 | C11 | 179.9° | 179.9° |
| C1 | C3 | C7 | C9 | 179.9° | 179.7° |
| C1 | C3 | C12 | H5 | 0.0° | 0.0° |
| C3 | C1 | H3 | H4 | 119.3° | 120.0° |
| C1 | C3 | C7 | H13 | 0.1° | 0.0° |
| C5' | C4' | C3' | C2' | 96.8° | 142.9° |
| C5' | C4' | O4' | C1' | 124.1° | 159.4° |
| C5' | C4' | O4' | C3' | 124.6° | 118.9° |
| C5' | C4' | O4' | H4' | 118.7° | 122.3° |
| C5' | C4' | C3' | H4' | 122.0° | 122.2° |
| C5' | C4' | C3' | O3' | 147.7° | 98.5° |
| C5' | C4' | C3' | H3' | 22.4° | 24.2° |
| C4' | C5' | H5' | H5'' | 119.1° | 120.0° |
| O2' | C2' | C1' | C3' | 122.3° | 118.7° |
| O2' | C2' | C1' | H2' | 122.8° | 122.6° |
| O2' | C2' | C3' | H2' | 124.7° | 122.6° |
| O2' | C2' | C1' | O4' | 159.8° | 142.6° |
| O2' | C2' | C3' | C4' | 156.9° | 118.7° |
| O2' | C2' | C3' | O3' | 41.3° | 0.1° |
| O2' | C2' | C1' | H1' | 41.9° | 23.8° |
| O2' | C2' | C3' | H3' | 84.0° | 122.7° |
| C1' | C2' | C3' | H2' | 114.9° | 118.7° |
| C2' | C1' | O4' | H1' | 116.9° | 118.8° |
| C2' | C1' | O4' | C4' | 23.4° | 40.5° |
| C1' | C2' | C3' | C4' | 36.4° | 0.0° |
| C1' | C2' | C3' | O3' | 79.2° | 118.7° |
| C1' | C2' | C3' | H3' | 155.5° | 118.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C3' | C2' | C1' | O4' | 37.5° | 24.0° |
| C2' | C3' | C4' | O4' | 23.9° | 24.0° |
| C2' | C3' | C4' | O3' | 115.6° | 118.6° |
| C2' | C3' | C4' | H3' | 119.2° | 118.7° |
| C2' | C3' | O3' | H3' | 124.4° | 122.7° |
| C3' | C2' | C1' | H1' | 80.4° | 94.9° |
| C2' | C3' | C4' | H4' | 141.3° | 94.9° |
| C3' | C2' | O2' | HO2' | 65.8° | 65.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C1' | O4' | C4' | C3' | 0.5° | 40.5° |
| O4' | C1' | C2' | H2' | 77.4° | 94.8° |
| C1' | O4' | C4' | H4' | 117.2° | 78.4° |
| O4' | C4' | C3' | H4' | 117.4° | 118.8° |
| O4' | C4' | C3' | O3' | 91.7° | 142.6° |
| C4' | O4' | C1' | H1' | 93.5° | 78.3° |
| O4' | C4' | C3' | H3' | 143.1° | 94.7° |
| O4' | C4' | C5' | H5' | 164.6° | 170.5° |
| O4' | C4' | C5' | H5'' | 45.2° | 50.4° |
| C4' | C3' | O3' | H3' | 124.3° | 122.6° |
| C4' | C3' | C2' | H2' | 78.4° | 118.7° |
| C3' | C4' | C5' | H5' | 76.3° | 55.0° |
| C3' | C4' | C5' | H5'' | 164.3° | 65.0° |
| C4' | C3' | O3' | HO3' | 68.7° | 176.1° |
| O3' | C3' | C2' | H2' | 166.0° | 122.6° |
| O3' | C3' | C4' | H4' | 25.7° | 23.8° |
| C3 | C12 | C11 | H5 | 180.0° | 179.9° |
| C12 | C3 | C7 | C9 | 0.4° | 0.2° |
| C3 | C12 | C11 | C10 | 0.1° | 0.1° |
| C3 | C12 | C11 | H1 | 179.9° | 179.7° |
| C12 | C3 | C1 | H3 | 154.5° | 150.0° |
| C12 | C3 | C1 | H4 | 34.9° | 30.0° |
| C12 | C3 | C7 | H13 | 179.5° | 180.0° |
| C7 | C3 | C12 | C11 | 0.3° | 0.0° |
| C3 | C7 | C9 | H13 | 180.0° | 179.8° |
| C3 | C7 | C9 | C10 | 0.4° | 0.5° |
| C7 | C3 | C12 | H5 | 179.7° | 180.0° |
| C7 | C3 | C1 | H3 | 25.1° | 30.0° |
| C7 | C3 | C1 | H4 | 144.7° | 150.0° |
| C3 | C7 | C9 | H15 | 179.6° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.6° |
| C12 | C11 | C10 | C9 | 0.0° | 0.3° |
| C12 | C11 | C10 | H6 | 180.0° | 179.7° |
| C7 | C9 | C10 | C11 | 0.2° | 0.5° |
| C7 | C9 | C10 | H15 | 180.0° | 179.5° |
| C7 | C9 | C10 | H6 | 179.8° | 179.5° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | H5 | 179.9° | 180.0° |
| C11 | C10 | C9 | H15 | 179.8° | 180.0° |
| C9 | C10 | C11 | H1 | 179.9° | 180.0° |
| C10 | C9 | C7 | H13 | 179.6° | 179.8° |
| H1 | C11 | C12 | H5 | 0.1° | 0.3° |
| H1 | C11 | C10 | H6 | 0.1° | 0.0° |
| H1' | C1' | C2' | H2' | 164.7° | 146.4° |
| H6 | C10 | C9 | H15 | 0.2° | 0.0° |
| H2' | C2' | C3' | H3' | 40.7° | 0.1° |
| H2' | C2' | O2' | HO2' | 58.1° | 57.4° |
| H3' | C3' | C4' | H4' | 99.6° | 146.5° |
| H3' | C3' | O3' | HO3' | 55.6° | 61.3° |
| H4' | C4' | C5' | H5' | 45.5° | 67.2° |
| H4' | C4' | C5' | H5'' | 73.9° | 172.7° |
| H13 | C7 | C9 | H15 | 0.4° | 0.2° |
| HOP2 | OP2 | P | OP3 | 124.4° | 60.0° |
