1OT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P | doub | 1.48Å | 1.62Å | |
| O1 | P | sing | 1.61Å | 1.58Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| P | C1 | sing | 1.82Å | 1.77Å | |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C2 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | N2 | sing | 1.40Å | 1.38Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.38Å | Aromatic |
| N3 | C8 | doub | 1.31Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | P | O1 | 100.2° | 109.5° |
| O3 | P | O2 | 109.9° | 109.5° |
| O3 | P | C1 | 102.2° | 109.5° |
| O1 | P | O2 | 124.4° | 109.5° |
| O1 | P | C1 | 110.7° | 109.5° |
| P | O1 | H1 | 109.5° | 114.0° |
| O2 | P | C1 | 107.1° | 109.4° |
| P | O2 | H2 | 109.5° | 114.0° |
| P | C1 | N1 | 104.6° | 109.5° |
| P | C1 | C2 | 115.2° | 109.4° |
| P | C1 | H3 | 107.0° | 109.5° |
| N1 | C1 | C2 | 109.1° | 109.4° |
| N1 | C1 | H3 | 110.3° | 109.5° |
| C1 | N1 | H4 | 109.5° | 111.0° |
| C1 | N1 | H5 | 109.5° | 111.0° |
| C1 | C2 | C10 | 114.5° | 119.9° |
| C1 | C2 | C3 | 127.3° | 119.9° |
| C2 | C1 | H3 | 110.4° | 109.5° |
| C10 | C2 | C3 | 117.8° | 120.2° |
| C2 | C10 | C9 | 122.3° | 120.0° |
| C2 | C10 | H7 | 118.9° | 120.0° |
| C2 | C3 | C4 | 117.9° | 120.1° |
| C2 | C3 | H10 | 121.0° | 120.0° |
| C10 | C9 | C5 | 124.0° | 120.0° |
| C9 | C10 | H7 | 118.9° | 120.0° |
| C10 | C9 | H8 | 118.0° | 120.0° |
| C3 | C4 | C5 | 125.4° | 119.9° |
| C3 | C4 | H9 | 117.3° | 120.0° |
| C4 | C3 | H10 | 121.0° | 120.0° |
| C9 | C5 | C4 | 112.5° | 119.9° |
| C9 | C5 | N2 | 116.9° | 120.1° |
| C5 | C9 | H8 | 118.0° | 120.0° |
| C4 | C5 | N2 | 130.5° | 120.1° |
| C5 | C4 | H9 | 117.3° | 120.0° |
| C5 | N2 | C6 | 121.6° | 126.0° |
| C5 | N2 | N3 | 125.2° | 126.1° |
| C6 | N2 | N3 | 112.6° | 107.9° |
| N2 | C6 | C7 | 106.2° | 107.7° |
| N2 | C6 | H13 | 126.9° | 126.1° |
| N2 | N3 | C8 | 103.5° | 108.2° |
| C6 | C7 | C8 | 107.2° | 107.9° |
| C6 | C7 | H12 | 126.4° | 126.0° |
| C7 | C6 | H13 | 126.9° | 126.2° |
| N3 | C8 | C7 | 110.4° | 108.3° |
| N3 | C8 | H11 | 124.8° | 125.9° |
| C7 | C8 | H11 | 124.8° | 125.8° |
| C8 | C7 | H12 | 126.4° | 126.1° |
| H4 | N1 | H5 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O1 | O2 | 122.8° | 120.0° |
| O3 | P | O1 | C1 | 107.3° | 120.0° |
| O3 | P | O2 | C1 | 110.3° | 120.0° |
| O3 | P | C1 | N1 | 84.7° | 65.0° |
| O3 | P | C1 | C2 | 155.5° | 55.0° |
| O3 | P | O1 | H1 | 0.0° | 60.0° |
| O3 | P | O2 | H2 | 0.0° | 180.0° |
| O3 | P | C1 | H3 | 32.4° | 175.0° |
| O1 | P | O2 | C1 | 131.3° | 120.0° |
| O1 | P | C1 | N1 | 21.3° | 175.0° |
| O1 | P | C1 | C2 | 98.5° | 65.0° |
| O1 | P | O2 | H2 | 118.4° | 60.0° |
| O1 | P | C1 | H3 | 138.3° | 55.0° |
| O2 | P | C1 | N1 | 159.8° | 55.0° |
| O2 | P | C1 | C2 | 40.0° | 175.0° |
| O2 | P | O1 | H1 | 122.8° | 60.0° |
| O2 | P | C1 | H3 | 83.1° | 65.0° |
| P | C1 | N1 | C2 | 123.8° | 119.9° |
| P | C1 | N1 | H3 | 114.7° | 120.0° |
| P | C1 | C2 | H3 | 121.3° | 120.0° |
| P | C1 | C2 | C10 | 81.3° | 95.0° |
| P | C1 | C2 | C3 | 106.2° | 85.3° |
| C1 | P | O1 | H1 | 107.3° | 179.9° |
| C1 | P | O2 | H2 | 110.3° | 60.0° |
| P | C1 | N1 | H4 | 180.0° | 64.0° |
| P | C1 | N1 | H5 | 60.0° | 60.0° |
| N1 | C1 | C2 | H3 | 121.4° | 120.0° |
| N1 | C1 | C2 | C10 | 35.9° | 145.0° |
| N1 | C1 | C2 | C3 | 136.5° | 34.7° |
| C1 | N1 | H4 | H5 | 120.0° | 124.0° |
| C1 | C2 | C10 | C3 | 173.2° | 179.7° |
| C1 | C2 | C10 | C9 | 174.2° | 179.9° |
| C1 | C2 | C3 | C4 | 174.9° | 179.8° |
| C2 | C1 | N1 | H4 | 56.3° | 176.1° |
| C2 | C1 | N1 | H5 | 176.2° | 60.0° |
| C1 | C2 | C10 | H7 | 5.8° | 0.0° |
| C1 | C2 | C3 | H10 | 5.1° | 0.0° |
| C2 | C10 | C9 | H7 | 180.0° | 180.0° |
| C10 | C2 | C3 | C4 | 2.7° | 0.5° |
| C2 | C10 | C9 | C5 | 2.2° | 0.0° |
| C10 | C2 | C1 | H3 | 157.4° | 25.0° |
| C2 | C10 | C9 | H8 | 177.8° | 180.0° |
| C10 | C2 | C3 | H10 | 177.4° | 179.8° |
| C3 | C2 | C10 | C9 | 1.0° | 0.2° |
| C2 | C3 | C4 | H10 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 1.6° | 0.5° |
| C3 | C2 | C1 | H3 | 15.1° | 154.7° |
| C3 | C2 | C10 | H7 | 179.0° | 179.7° |
| C2 | C3 | C4 | H9 | 178.4° | 179.7° |
| C10 | C9 | C5 | H8 | 180.0° | 180.0° |
| C10 | C9 | C5 | C4 | 3.2° | 0.0° |
| C10 | C9 | C5 | N2 | 179.9° | 179.9° |
| C3 | C4 | C5 | C9 | 1.3° | 0.3° |
| C3 | C4 | C5 | H9 | 180.0° | 179.8° |
| C3 | C4 | C5 | N2 | 177.5° | 179.8° |
| C9 | C5 | C4 | N2 | 176.2° | 179.9° |
| C9 | C5 | N2 | C6 | 1.4° | 180.0° |
| C9 | C5 | N2 | N3 | 169.1° | 0.3° |
| C5 | C9 | C10 | H7 | 177.8° | 180.0° |
| C9 | C5 | C4 | H9 | 178.7° | 179.9° |
| C4 | C5 | N2 | C6 | 177.5° | 0.0° |
| C4 | C5 | N2 | N3 | 7.0° | 179.7° |
| C4 | C5 | C9 | H8 | 176.9° | 179.9° |
| C5 | C4 | C3 | H10 | 178.5° | 179.7° |
| C5 | N2 | C6 | N3 | 171.6° | 179.7° |
| C5 | N2 | C6 | C7 | 175.6° | 179.9° |
| C5 | N2 | N3 | C8 | 174.6° | 180.0° |
| N2 | C5 | C9 | H8 | 0.1° | 0.0° |
| N2 | C5 | C4 | H9 | 2.5° | 0.0° |
| C5 | N2 | C6 | H13 | 4.4° | 0.0° |
| N2 | C6 | C7 | H13 | 180.0° | 179.9° |
| C6 | N2 | N3 | C8 | 3.4° | 0.3° |
| N2 | C6 | C7 | C8 | 2.8° | 0.4° |
| N2 | C6 | C7 | H12 | 177.1° | 179.8° |
| N3 | N2 | C6 | C7 | 4.0° | 0.4° |
| N2 | N3 | C8 | C7 | 1.5° | 0.0° |
| N2 | N3 | C8 | H11 | 178.5° | 180.0° |
| N3 | N2 | C6 | H13 | 176.0° | 179.7° |
| C6 | C7 | C8 | N3 | 0.8° | 0.2° |
| C6 | C7 | C8 | H12 | 180.0° | 179.8° |
| C6 | C7 | C8 | H11 | 179.2° | 179.8° |
| N3 | C8 | C7 | H11 | 180.0° | 180.0° |
| N3 | C8 | C7 | H12 | 179.2° | 180.0° |
| C8 | C7 | C6 | H13 | 177.2° | 179.7° |
| H3 | C1 | N1 | H4 | 65.2° | 56.1° |
| H3 | C1 | N1 | H5 | 54.7° | 180.0° |
| H7 | C10 | C9 | H8 | 2.2° | 0.1° |
| H9 | C4 | C3 | H10 | 1.5° | 0.1° |
| H11 | C8 | C7 | H12 | 0.8° | 0.0° |
| H12 | C7 | C6 | H13 | 2.9° | 0.1° |
