2BO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OT | C | doub | 1.21Å | 1.23Å | |
| O1P | P | doub | 1.48Å | 1.53Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| O2P | P | sing | 1.61Å | 1.46Å | |
| P | O4P | sing | 1.61Å | 1.63Å | |
| P | O3P | sing | 1.61Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| N | C4A | sing | 1.47Å | 1.38Å | |
| O4P | C5A | sing | 1.43Å | 1.37Å | |
| C4A | C4 | sing | 1.51Å | 1.49Å | |
| O3 | C3 | sing | 1.36Å | 1.35Å | |
| CB | CG | sing | 1.53Å | 1.59Å | |
| CB | OB | sing | 1.43Å | 1.43Å | |
| C4 | C3 | doub | 1.39Å | 1.49Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.59Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.49Å | Aromatic |
| C5A | C5 | sing | 1.51Å | 1.57Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.53Å | |
| C2 | N1 | doub | 1.32Å | 1.43Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.42Å | Aromatic |
| C2A | H1 | sing | 1.09Å | 1.10Å | |
| C2A | H2 | sing | 1.09Å | 1.10Å | |
| C2A | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C4A | H5 | sing | 1.09Å | 1.10Å | |
| C4A | H6 | sing | 1.09Å | 1.10Å | |
| C5A | H7 | sing | 1.09Å | 1.10Å | |
| C5A | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| O2P | H10 | sing | 0.97Å | 0.95Å | |
| O3P | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| OB | H16 | sing | 0.97Å | 0.95Å | |
| O | H17 | sing | 0.97Å | 0.95Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| CG | H19 | sing | 1.09Å | 1.10Å | |
| CG | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT | C | O | 117.6° | 120.1° |
| OT | C | CA | 121.1° | 120.0° |
| O1P | P | O2P | 110.3° | 109.5° |
| O1P | P | O4P | 104.1° | 109.5° |
| O1P | P | O3P | 114.8° | 109.4° |
| O | C | CA | 121.3° | 120.0° |
| C | O | H17 | 109.5° | 116.9° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | CB | 111.0° | 109.5° |
| C | CA | H14 | 109.1° | 109.4° |
| O2P | P | O4P | 107.8° | 109.5° |
| O2P | P | O3P | 114.2° | 109.5° |
| P | O2P | H10 | 109.5° | 114.0° |
| O4P | P | O3P | 104.8° | 109.5° |
| P | O4P | C5A | 121.9° | 123.0° |
| P | O3P | H11 | 109.5° | 113.9° |
| N | CA | CB | 110.2° | 109.5° |
| CA | N | C4A | 128.1° | 111.0° |
| CA | N | H12 | 104.6° | 111.0° |
| N | CA | H14 | 109.1° | 109.5° |
| CA | CB | CG | 116.5° | 109.5° |
| CA | CB | OB | 109.1° | 109.5° |
| CB | CA | H14 | 108.7° | 109.5° |
| CA | CB | H15 | 110.3° | 109.5° |
| N | C4A | C4 | 123.1° | 109.5° |
| N | C4A | H5 | 106.0° | 109.5° |
| N | C4A | H6 | 106.0° | 109.5° |
| C4A | N | H12 | 104.6° | 111.0° |
| O4P | C5A | C5 | 112.1° | 109.4° |
| O4P | C5A | H7 | 108.8° | 109.5° |
| O4P | C5A | H8 | 108.8° | 109.4° |
| C4A | C4 | C3 | 120.2° | 120.8° |
| C4A | C4 | C5 | 123.4° | 120.8° |
| C4 | C4A | H5 | 105.9° | 109.5° |
| C4 | C4A | H6 | 106.0° | 109.5° |
| O3 | C3 | C4 | 126.4° | 120.5° |
| O3 | C3 | C2 | 112.6° | 120.5° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| CG | CB | OB | 98.6° | 109.5° |
| CG | CB | H15 | 109.8° | 109.5° |
| CB | CG | H18 | 109.5° | 109.5° |
| CB | CG | H19 | 109.5° | 109.5° |
| CB | CG | H20 | 109.5° | 109.5° |
| OB | CB | H15 | 112.1° | 109.5° |
| CB | OB | H16 | 109.5° | 114.0° |
| C3 | C4 | C5 | 116.4° | 118.4° |
| C4 | C3 | C2 | 121.0° | 119.0° |
| C4 | C5 | C5A | 119.9° | 120.4° |
| C4 | C5 | C6 | 120.6° | 119.2° |
| C3 | C2 | C2A | 129.2° | 119.7° |
| C3 | C2 | N1 | 115.7° | 120.7° |
| C5A | C5 | C6 | 119.5° | 120.4° |
| C5 | C5A | H7 | 108.8° | 109.5° |
| C5 | C5A | H8 | 108.8° | 109.5° |
| C5 | C6 | N1 | 118.0° | 120.9° |
| C5 | C6 | H9 | 121.0° | 119.6° |
| C2A | C2 | N1 | 115.1° | 119.6° |
| C2 | C2A | H1 | 109.5° | 109.4° |
| C2 | C2A | H2 | 109.5° | 109.5° |
| C2 | C2A | H3 | 109.5° | 109.5° |
| C2 | N1 | C6 | 128.4° | 121.7° |
| N1 | C6 | H9 | 121.1° | 119.5° |
| H1 | C2A | H2 | 109.4° | 109.4° |
| H1 | C2A | H3 | 109.5° | 109.5° |
| H2 | C2A | H3 | 109.5° | 109.5° |
| H5 | C4A | H6 | 109.5° | 109.5° |
| H7 | C5A | H8 | 109.5° | 109.5° |
| H18 | CG | H19 | 109.5° | 109.4° |
| H18 | CG | H20 | 109.5° | 109.5° |
| H19 | CG | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OT | C | O | CA | 179.6° | 179.9° |
| OT | C | CA | N | 135.2° | 0.1° |
| OT | C | CA | CB | 103.5° | 120.0° |
| OT | C | CA | H14 | 16.3° | 120.0° |
| OT | C | O | H17 | 0.0° | 0.0° |
| O1P | P | O2P | O4P | 113.0° | 120.0° |
| O1P | P | O2P | O3P | 131.0° | 119.9° |
| O1P | P | O4P | O3P | 120.9° | 119.9° |
| O1P | P | O4P | C5A | 161.6° | 54.9° |
| O1P | P | O2P | H10 | 0.0° | 60.0° |
| O1P | P | O3P | H11 | 0.0° | 180.0° |
| O | C | CA | N | 45.2° | 180.0° |
| O | C | CA | CB | 76.1° | 60.0° |
| O | C | CA | H14 | 164.1° | 60.0° |
| C | CA | N | CB | 121.8° | 120.0° |
| C | CA | N | H14 | 118.9° | 120.0° |
| C | CA | CB | H14 | 120.0° | 120.0° |
| C | CA | N | C4A | 179.3° | 85.4° |
| C | CA | CB | CG | 66.4° | 179.1° |
| C | CA | CB | OB | 176.9° | 59.1° |
| C | CA | N | H12 | 58.2° | 38.5° |
| C | CA | CB | H15 | 59.6° | 60.9° |
| CA | C | O | H17 | 179.6° | 179.9° |
| O2P | P | O4P | O3P | 122.0° | 120.0° |
| O2P | P | O4P | C5A | 81.3° | 175.0° |
| O2P | P | O3P | H11 | 128.7° | 60.0° |
| P | O4P | C5A | C5 | 146.5° | 180.0° |
| P | O4P | C5A | H7 | 26.1° | 60.0° |
| P | O4P | C5A | H8 | 93.1° | 60.0° |
| O4P | P | O2P | H10 | 113.0° | 179.9° |
| O4P | P | O3P | H11 | 113.6° | 60.0° |
| O3P | P | O4P | C5A | 40.7° | 65.0° |
| O3P | P | O2P | H10 | 131.0° | 59.9° |
| N | CA | CB | H14 | 119.5° | 120.0° |
| CA | N | C4A | H12 | 122.4° | 123.9° |
| CA | N | C4A | C4 | 142.0° | 174.7° |
| N | CA | CB | CG | 173.0° | 59.0° |
| N | CA | CB | OB | 62.6° | 61.0° |
| CA | N | C4A | H5 | 20.2° | 65.3° |
| CA | N | C4A | H6 | 96.1° | 54.7° |
| N | CA | CB | H15 | 60.9° | 179.1° |
| CB | CA | N | C4A | 57.5° | 154.5° |
| CA | CB | CG | OB | 116.4° | 120.0° |
| CA | CB | CG | H15 | 126.3° | 120.0° |
| CA | CB | OB | H15 | 122.5° | 120.0° |
| CB | CA | N | H12 | 180.0° | 81.5° |
| CA | CB | OB | H16 | 180.0° | 60.0° |
| CA | CB | CG | H18 | 180.0° | 56.6° |
| CA | CB | CG | H19 | 60.0° | 176.6° |
| CA | CB | CG | H20 | 60.0° | 63.4° |
| N | C4A | C4 | H5 | 121.9° | 120.0° |
| N | C4A | C4 | H6 | 121.9° | 120.0° |
| N | C4A | C4 | C3 | 0.3° | 90.0° |
| N | C4A | C4 | C5 | 179.5° | 90.0° |
| N | C4A | H5 | H6 | 113.9° | 120.0° |
| C4A | N | CA | H14 | 61.7° | 34.5° |
| O4P | C5A | C5 | C4 | 62.4° | 180.0° |
| O4P | C5A | C5 | H7 | 120.4° | 120.0° |
| O4P | C5A | C5 | H8 | 120.4° | 120.0° |
| O4P | C5A | C5 | C6 | 118.7° | 0.0° |
| O4P | C5A | H7 | H8 | 118.8° | 120.0° |
| C4A | C4 | C3 | O3 | 0.3° | 0.0° |
| C4A | C4 | C3 | C5 | 179.8° | 180.0° |
| C4A | C4 | C3 | C2 | 179.4° | 180.0° |
| C4A | C4 | C5 | C5A | 0.7° | 0.0° |
| C4A | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | C4A | H5 | H6 | 113.8° | 120.0° |
| C4 | C4A | N | H12 | 95.6° | 61.4° |
| O3 | C3 | C4 | C2 | 179.7° | 180.0° |
| O3 | C3 | C4 | C5 | 180.0° | 180.0° |
| O3 | C3 | C2 | C2A | 0.1° | 0.1° |
| O3 | C3 | C2 | N1 | 179.9° | 179.9° |
| CG | CB | OB | H15 | 115.5° | 120.0° |
| CG | CB | CA | H14 | 53.6° | 60.9° |
| CG | CB | OB | H16 | 58.0° | 60.0° |
| CB | CG | H18 | H19 | 120.0° | 120.0° |
| CB | CG | H18 | H20 | 120.0° | 120.0° |
| CB | CG | H19 | H20 | 120.0° | 120.1° |
| OB | CB | CA | H14 | 56.9° | 179.1° |
| OB | CB | CG | H18 | 63.5° | 63.4° |
| OB | CB | CG | H19 | 176.5° | 56.6° |
| OB | CB | CG | H20 | 56.5° | 176.7° |
| C3 | C4 | C5 | C5A | 179.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C2A | 179.8° | 180.0° |
| C4 | C3 | C2 | N1 | 0.4° | 0.0° |
| C4 | C3 | O3 | H4 | 180.0° | 90.0° |
| C3 | C4 | C4A | H5 | 122.1° | 150.0° |
| C3 | C4 | C4A | H6 | 121.6° | 30.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C5A | C6 | 178.9° | 179.9° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C5 | C4 | C4A | H5 | 57.6° | 30.0° |
| C5 | C4 | C4A | H6 | 58.6° | 150.0° |
| C4 | C5 | C5A | H7 | 58.0° | 60.0° |
| C4 | C5 | C5A | H8 | 177.2° | 60.0° |
| C4 | C5 | C6 | H9 | 179.9° | 179.9° |
| C3 | C2 | C2A | N1 | 179.8° | 180.0° |
| C3 | C2 | N1 | C6 | 0.2° | 0.1° |
| C3 | C2 | C2A | H1 | 179.8° | 89.9° |
| C3 | C2 | C2A | H2 | 59.8° | 30.0° |
| C3 | C2 | C2A | H3 | 60.2° | 150.0° |
| C2 | C3 | O3 | H4 | 0.3° | 90.0° |
| C5A | C5 | C6 | N1 | 178.9° | 179.9° |
| C5 | C5A | H7 | H8 | 118.8° | 120.0° |
| C5A | C5 | C6 | H9 | 1.2° | 0.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C5 | C6 | N1 | H9 | 180.0° | 179.9° |
| C6 | C5 | C5A | H7 | 120.9° | 120.0° |
| C6 | C5 | C5A | H8 | 1.7° | 119.9° |
| C2A | C2 | N1 | C6 | 180.0° | 180.0° |
| C2 | C2A | H1 | H2 | 120.0° | 120.0° |
| C2 | C2A | H1 | H3 | 120.0° | 120.0° |
| C2 | C2A | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C2A | H1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2 | 120.0° | 150.1° |
| N1 | C2 | C2A | H3 | 120.0° | 30.0° |
| C2 | N1 | C6 | H9 | 180.0° | 180.0° |
| H1 | C2A | H2 | H3 | 120.0° | 120.0° |
| H5 | C4A | N | H12 | 142.6° | 58.6° |
| H6 | C4A | N | H12 | 26.3° | 178.6° |
| H12 | N | CA | H14 | 60.7° | 158.5° |
| H14 | CA | CB | H15 | 179.6° | 59.1° |
| H15 | CB | OB | H16 | 57.5° | 180.0° |
| H15 | CB | CG | H18 | 53.7° | 176.6° |
| H15 | CB | CG | H19 | 66.3° | 63.4° |
| H15 | CB | CG | H20 | 173.7° | 56.7° |
| H18 | CG | H19 | H20 | 120.0° | 120.0° |
