O1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2A | C9A | sing | 1.51Å | 1.52Å | |
| O3 | C3A | sing | 1.36Å | 1.35Å | |
| O2 | C2 | sing | 1.43Å | 1.47Å | |
| C9A | C3A | doub | 1.39Å | 1.40Å | Aromatic |
| C9A | N1' | sing | 1.32Å | 1.34Å | Aromatic |
| C3A | C4A | sing | 1.40Å | 1.38Å | Aromatic |
| N1' | C6A | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| N3' | C3 | sing | 1.46Å | 1.47Å | |
| N3' | C4B | doub | 1.29Å | 1.28Å | |
| C4A | C4B | sing | 1.48Å | 1.48Å | |
| C4A | C5A | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C6A | C5A | sing | 1.38Å | 1.39Å | Aromatic |
| C5A | C5T | sing | 1.51Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5T | OP4 | sing | 1.43Å | 1.45Å | |
| OP4 | P | sing | 1.61Å | 1.64Å | |
| C6 | O6 | sing | 1.43Å | 1.38Å | |
| O6 | P' | sing | 1.61Å | 1.61Å | |
| OP3 | P | doub | 1.48Å | 1.55Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP1 | sing | 1.61Å | 1.51Å | |
| OP8 | P' | doub | 1.48Å | 1.53Å | |
| P' | OP6 | sing | 1.61Å | 1.51Å | |
| P' | OP7 | sing | 1.61Å | 1.51Å | |
| O3 | H1A | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2A | H5A | sing | 1.09Å | 1.10Å | |
| C2A | H6 | sing | 1.09Å | 1.10Å | |
| C2A | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4B | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5T | H14 | sing | 1.09Å | 1.10Å | |
| C5T | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6A | H18 | sing | 1.08Å | 1.08Å | |
| OP1 | H19 | sing | 0.97Å | 0.95Å | |
| OP2 | H20 | sing | 0.97Å | 0.95Å | |
| OP6 | H21 | sing | 0.97Å | 0.95Å | |
| OP7 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | C9A | C3A | 122.8° | 119.6° |
| C2A | C9A | N1' | 117.9° | 119.6° |
| C9A | C2A | H5A | 109.5° | 109.5° |
| C9A | C2A | H6 | 109.5° | 109.5° |
| C9A | C2A | H7 | 109.5° | 109.5° |
| O3 | C3A | C9A | 121.9° | 120.6° |
| O3 | C3A | C4A | 117.6° | 120.5° |
| C3A | O3 | H1A | 109.5° | 114.1° |
| O2 | C2 | C1 | 103.5° | 109.6° |
| O2 | C2 | C3 | 111.5° | 109.5° |
| O2 | C2 | H2 | 110.0° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C3A | C9A | N1' | 119.3° | 120.8° |
| C9A | C3A | C4A | 120.5° | 118.9° |
| C9A | N1' | C6A | 121.2° | 122.1° |
| C3A | C4A | C4B | 121.6° | 121.0° |
| C3A | C4A | C5A | 119.0° | 118.1° |
| N1' | C6A | C5A | 121.3° | 121.1° |
| N1' | C6A | H18 | 119.3° | 119.5° |
| C1 | C2 | C3 | 113.7° | 109.2° |
| C2 | C1 | O1 | 111.8° | 109.5° |
| C2 | C1 | O5 | 110.4° | 109.4° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C2 | C3 | N3' | 104.5° | 109.5° |
| C2 | C3 | C4 | 112.2° | 109.0° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| O1 | C1 | O5 | 107.0° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C1 | O5 | C5 | 113.2° | 114.1° |
| O5 | C1 | H1 | 109.6° | 109.5° |
| C3 | N3' | C4B | 124.4° | 120.0° |
| N3' | C3 | C4 | 113.2° | 109.6° |
| N3' | C3 | H3 | 109.5° | 109.7° |
| N3' | C4B | C4A | 116.6° | 120.0° |
| N3' | C4B | H12 | 121.7° | 120.0° |
| C4B | C4A | C5A | 119.4° | 120.9° |
| C4A | C4B | H12 | 121.7° | 120.0° |
| C4A | C5A | C6A | 118.6° | 119.0° |
| C4A | C5A | C5T | 126.4° | 120.5° |
| C3 | C4 | C5 | 108.2° | 109.2° |
| C3 | C4 | O4 | 101.5° | 109.5° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C3 | C4 | H4 | 112.9° | 109.5° |
| C6A | C5A | C5T | 114.9° | 120.5° |
| C5A | C6A | H18 | 119.3° | 119.4° |
| C5A | C5T | OP4 | 109.1° | 109.4° |
| C5A | C5T | H14 | 109.6° | 109.5° |
| C5A | C5T | H15 | 109.6° | 109.5° |
| O5 | C5 | C4 | 111.4° | 109.4° |
| O5 | C5 | C6 | 100.8° | 109.5° |
| O5 | C5 | H5 | 111.0° | 109.5° |
| C5 | C4 | O4 | 105.8° | 109.6° |
| C4 | C5 | C6 | 113.9° | 109.5° |
| C5 | C4 | H4 | 113.1° | 109.6° |
| C4 | C5 | H5 | 109.6° | 109.5° |
| O4 | C4 | H4 | 114.5° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C5 | C6 | O6 | 115.4° | 109.5° |
| C6 | C5 | H5 | 110.0° | 109.5° |
| C5 | C6 | H61 | 108.0° | 109.5° |
| C5 | C6 | H62 | 108.0° | 109.4° |
| C5T | OP4 | P | 118.1° | 123.0° |
| OP4 | C5T | H14 | 109.5° | 109.5° |
| OP4 | C5T | H15 | 109.5° | 109.5° |
| OP4 | P | OP3 | 107.0° | 109.5° |
| OP4 | P | OP2 | 103.2° | 109.5° |
| OP4 | P | OP1 | 104.8° | 109.5° |
| C6 | O6 | P' | 120.7° | 123.0° |
| O6 | C6 | H61 | 108.0° | 109.5° |
| O6 | C6 | H62 | 108.0° | 109.4° |
| O6 | P' | OP8 | 101.9° | 109.4° |
| O6 | P' | OP6 | 105.6° | 109.5° |
| O6 | P' | OP7 | 108.7° | 109.5° |
| OP3 | P | OP2 | 115.7° | 109.4° |
| OP3 | P | OP1 | 111.8° | 109.5° |
| OP2 | P | OP1 | 113.1° | 109.5° |
| P | OP2 | H20 | 109.5° | 114.0° |
| P | OP1 | H19 | 109.5° | 114.0° |
| OP8 | P' | OP6 | 113.1° | 109.5° |
| OP8 | P' | OP7 | 112.8° | 109.5° |
| OP6 | P' | OP7 | 113.8° | 109.5° |
| P' | OP6 | H21 | 109.5° | 114.0° |
| P' | OP7 | H22 | 109.5° | 114.0° |
| H5A | C2A | H6 | 109.4° | 109.4° |
| H5A | C2A | H7 | 109.5° | 109.4° |
| H6 | C2A | H7 | 109.5° | 109.5° |
| H14 | C5T | H15 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2A | C9A | C3A | O3 | 0.4° | 0.3° |
| C2A | C9A | C3A | N1' | 179.3° | 179.9° |
| C2A | C9A | C3A | C4A | 179.5° | 180.0° |
| C2A | C9A | N1' | C6A | 179.9° | 179.4° |
| C9A | C2A | H5A | H6 | 120.0° | 120.0° |
| C9A | C2A | H5A | H7 | 120.0° | 120.0° |
| C9A | C2A | H6 | H7 | 120.0° | 120.0° |
| O3 | C3A | C9A | C4A | 179.9° | 179.8° |
| O3 | C3A | C9A | N1' | 179.8° | 179.8° |
| O3 | C3A | C4A | C4B | 1.3° | 0.0° |
| O3 | C3A | C4A | C5A | 180.0° | 180.0° |
| O2 | C2 | C1 | C3 | 121.1° | 119.9° |
| O2 | C2 | C1 | H2 | 117.0° | 120.2° |
| O2 | C2 | C3 | H2 | 121.6° | 120.2° |
| O2 | C2 | C1 | O1 | 50.3° | 57.5° |
| O2 | C2 | C1 | O5 | 169.3° | 177.5° |
| O2 | C2 | C3 | N3' | 74.5° | 63.2° |
| O2 | C2 | C3 | C4 | 162.5° | 176.9° |
| O2 | C2 | C1 | H1 | 70.6° | 62.5° |
| O2 | C2 | C3 | H3 | 42.4° | 57.0° |
| C3A | C9A | N1' | C6A | 0.7° | 0.6° |
| C9A | C3A | C4A | C4B | 178.8° | 179.7° |
| C9A | C3A | C4A | C5A | 0.1° | 0.3° |
| C9A | C3A | O3 | H1A | 180.0° | 89.7° |
| C3A | C9A | C2A | H5A | 179.4° | 90.0° |
| C3A | C9A | C2A | H6 | 59.4° | 150.0° |
| C3A | C9A | C2A | H7 | 60.6° | 30.0° |
| N1' | C9A | C3A | C4A | 0.2° | 0.0° |
| C9A | N1' | C6A | C5A | 0.9° | 0.9° |
| N1' | C9A | C2A | H5A | 0.0° | 90.0° |
| N1' | C9A | C2A | H6 | 120.0° | 29.9° |
| N1' | C9A | C2A | H7 | 120.0° | 150.0° |
| C9A | N1' | C6A | H18 | 179.1° | 180.0° |
| C3A | C4A | C4B | N3' | 21.4° | 0.1° |
| C3A | C4A | C4B | C5A | 178.7° | 180.0° |
| C3A | C4A | C5A | C6A | 0.1° | 0.0° |
| C3A | C4A | C5A | C5T | 179.6° | 180.0° |
| C4A | C3A | O3 | H1A | 0.1° | 90.1° |
| C3A | C4A | C4B | H12 | 158.6° | 180.0° |
| N1' | C6A | C5A | C4A | 0.6° | 0.6° |
| N1' | C6A | C5A | H18 | 180.0° | 179.1° |
| N1' | C6A | C5A | C5T | 179.8° | 179.4° |
| C1 | C2 | C3 | H2 | 121.9° | 119.8° |
| C2 | C1 | O1 | O5 | 121.0° | 119.9° |
| C2 | C1 | O1 | H1 | 120.1° | 120.0° |
| C2 | C1 | O5 | H1 | 119.3° | 120.0° |
| C1 | C2 | C3 | N3' | 168.9° | 176.8° |
| C1 | C2 | C3 | C4 | 45.9° | 56.9° |
| C2 | C1 | O5 | C5 | 57.8° | 61.1° |
| C1 | C2 | O2 | HO2 | 180.0° | 59.9° |
| C1 | C2 | C3 | H3 | 74.2° | 62.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O1 | 70.8° | 62.4° |
| C3 | C2 | C1 | O5 | 48.2° | 57.6° |
| C2 | C3 | N3' | C4 | 122.3° | 119.6° |
| C2 | C3 | N3' | H3 | 116.3° | 120.2° |
| C2 | C3 | N3' | C4B | 154.8° | 120.0° |
| C2 | C3 | C4 | H3 | 120.2° | 119.8° |
| C2 | C3 | C4 | C5 | 49.3° | 56.9° |
| C2 | C3 | C4 | O4 | 160.3° | 176.9° |
| C3 | C2 | C1 | H1 | 168.3° | 177.6° |
| C3 | C2 | O2 | HO2 | 57.4° | 179.7° |
| C2 | C3 | C4 | H4 | 76.6° | 63.0° |
| O1 | C1 | O5 | H1 | 118.8° | 120.0° |
| O1 | C1 | O5 | C5 | 64.1° | 58.8° |
| O1 | C1 | C2 | H2 | 167.3° | 177.7° |
| C1 | O5 | C5 | C4 | 65.0° | 61.2° |
| C1 | O5 | C5 | C6 | 173.9° | 178.8° |
| O5 | C1 | C2 | H2 | 73.7° | 62.3° |
| O5 | C1 | O1 | HO1 | 58.9° | 60.0° |
| C1 | O5 | C5 | H5 | 57.4° | 58.8° |
| C3 | N3' | C4B | C4A | 179.4° | 180.0° |
| N3' | C3 | C4 | H3 | 121.9° | 120.3° |
| N3' | C3 | C4 | C5 | 167.2° | 176.8° |
| N3' | C3 | C4 | O4 | 81.8° | 63.2° |
| N3' | C3 | C2 | H2 | 47.1° | 57.0° |
| N3' | C3 | C4 | H4 | 41.3° | 56.9° |
| C3 | N3' | C4B | H12 | 0.6° | 0.0° |
| N3' | C4B | C4A | H12 | 180.0° | 180.0° |
| N3' | C4B | C4A | C5A | 157.3° | 179.9° |
| C4B | N3' | C3 | C4 | 32.5° | 120.4° |
| C4B | N3' | C3 | H3 | 88.9° | 0.2° |
| C4B | C4A | C5A | C6A | 178.6° | 180.0° |
| C4B | C4A | C5A | C5T | 0.9° | 0.0° |
| C4A | C5A | C6A | C5T | 179.5° | 180.0° |
| C4A | C5A | C5T | OP4 | 62.9° | 180.0° |
| C5A | C4A | C4B | H12 | 22.7° | 0.0° |
| C4A | C5A | C5T | H14 | 177.2° | 60.0° |
| C4A | C5A | C5T | H15 | 57.0° | 60.0° |
| C4A | C5A | C6A | H18 | 179.4° | 179.7° |
| C3 | C4 | C5 | O5 | 58.4° | 57.6° |
| C3 | C4 | C5 | O4 | 108.1° | 119.9° |
| C3 | C4 | C5 | H4 | 125.8° | 119.9° |
| C3 | C4 | O4 | H4 | 122.0° | 120.1° |
| C3 | C4 | C5 | C6 | 171.5° | 177.6° |
| C4 | C3 | C2 | H2 | 76.0° | 62.9° |
| C3 | C4 | O4 | HO4 | 120.9° | 180.0° |
| C3 | C4 | C5 | H5 | 64.8° | 62.4° |
| C6A | C5A | C5T | OP4 | 117.6° | 0.0° |
| C6A | C5A | C5T | H14 | 2.3° | 120.0° |
| C6A | C5A | C5T | H15 | 122.5° | 119.9° |
| C5A | C5T | OP4 | H14 | 119.9° | 120.0° |
| C5A | C5T | OP4 | H15 | 120.0° | 120.0° |
| C5A | C5T | OP4 | P | 152.1° | 180.0° |
| C5A | C5T | H14 | H15 | 120.2° | 120.0° |
| C5T | C5A | C6A | H18 | 0.2° | 0.3° |
| O5 | C5 | C4 | C6 | 113.1° | 120.0° |
| O5 | C5 | C4 | H5 | 123.2° | 120.0° |
| O5 | C5 | C4 | O4 | 166.6° | 177.5° |
| O5 | C5 | C6 | H5 | 117.2° | 120.0° |
| O5 | C5 | C6 | O6 | 72.3° | 65.0° |
| C5 | O5 | C1 | H1 | 177.1° | 178.9° |
| O5 | C5 | C4 | H4 | 67.3° | 62.3° |
| O5 | C5 | C6 | H61 | 166.8° | 174.9° |
| O5 | C5 | C6 | H62 | 48.5° | 54.9° |
| C5 | C4 | O4 | H4 | 125.2° | 120.2° |
| C4 | C5 | C6 | H5 | 123.5° | 120.0° |
| C4 | C5 | C6 | O6 | 168.4° | 175.0° |
| C5 | C4 | C3 | H3 | 70.9° | 62.9° |
| C5 | C4 | O4 | HO4 | 126.2° | 60.3° |
| C4 | C5 | C6 | H61 | 47.5° | 54.9° |
| C4 | C5 | C6 | H62 | 70.8° | 65.0° |
| O4 | C4 | C5 | C6 | 80.3° | 62.5° |
| O4 | C4 | C3 | H3 | 40.1° | 57.1° |
| O4 | C4 | C5 | H5 | 43.3° | 57.5° |
| C5 | C6 | O6 | H61 | 120.9° | 120.1° |
| C5 | C6 | O6 | H62 | 120.8° | 119.9° |
| C5 | C6 | O6 | P' | 146.6° | 180.0° |
| C6 | C5 | C4 | H4 | 45.8° | 57.7° |
| C5 | C6 | H61 | H62 | 117.3° | 120.0° |
| C5T | OP4 | P | OP3 | 76.1° | 55.0° |
| C5T | OP4 | P | OP2 | 161.4° | 65.0° |
| C5T | OP4 | P | OP1 | 42.8° | 175.0° |
| OP4 | C5T | H14 | H15 | 120.2° | 120.0° |
| OP4 | P | OP3 | OP2 | 114.4° | 120.0° |
| OP4 | P | OP3 | OP1 | 114.3° | 120.0° |
| OP4 | P | OP2 | OP1 | 112.7° | 120.0° |
| P | OP4 | C5T | H14 | 88.0° | 60.0° |
| P | OP4 | C5T | H15 | 32.1° | 60.0° |
| OP4 | P | OP1 | H19 | 115.7° | 180.0° |
| OP4 | P | OP2 | H20 | 116.6° | 60.0° |
| C6 | O6 | P' | OP8 | 178.9° | 55.1° |
| C6 | O6 | P' | OP6 | 62.7° | 175.0° |
| C6 | O6 | P' | OP7 | 59.7° | 64.9° |
| O6 | C6 | C5 | H5 | 44.9° | 55.0° |
| O6 | C6 | H61 | H62 | 117.3° | 120.0° |
| O6 | P' | OP8 | OP6 | 112.9° | 120.0° |
| O6 | P' | OP8 | OP7 | 116.3° | 120.0° |
| O6 | P' | OP6 | OP7 | 119.1° | 120.0° |
| P' | O6 | C6 | H61 | 25.7° | 59.9° |
| P' | O6 | C6 | H62 | 92.6° | 60.1° |
| O6 | P' | OP6 | H21 | 110.6° | 180.0° |
| O6 | P' | OP7 | H22 | 112.2° | 60.0° |
| OP3 | P | OP2 | OP1 | 130.8° | 120.0° |
| OP3 | P | OP1 | H19 | 0.0° | 60.0° |
| OP3 | P | OP2 | H20 | 0.0° | 180.0° |
| OP2 | P | OP1 | H19 | 132.7° | 60.0° |
| OP1 | P | OP2 | H20 | 130.8° | 60.0° |
| OP8 | P' | OP6 | OP7 | 130.3° | 120.0° |
| OP8 | P' | OP6 | H21 | 0.0° | 60.0° |
| OP8 | P' | OP7 | H22 | 0.0° | 180.0° |
| OP6 | P' | OP7 | H22 | 130.5° | 60.0° |
| OP7 | P' | OP6 | H21 | 130.3° | 60.0° |
| H1 | C1 | C2 | H2 | 46.4° | 57.7° |
| H1 | C1 | O1 | HO1 | 59.9° | 60.0° |
| H2 | C2 | O2 | HO2 | 63.6° | 60.2° |
| H2 | C2 | C3 | H3 | 163.9° | 177.3° |
| H5A | C2A | H6 | H7 | 120.0° | 119.9° |
| H3 | C3 | C4 | H4 | 163.2° | 177.2° |
| H4 | C4 | O4 | HO4 | 1.0° | 59.9° |
| H4 | C4 | C5 | H5 | 169.4° | 177.7° |
| H5 | C5 | C6 | H61 | 75.9° | 65.1° |
| H5 | C5 | C6 | H62 | 165.8° | 175.0° |
