1OV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P | doub | 1.48Å | 1.56Å | |
| O2 | P | sing | 1.61Å | 1.60Å | |
| P | O3 | sing | 1.61Å | 1.58Å | |
| P | C5 | sing | 1.82Å | 1.82Å | |
| N4 | C5 | sing | 1.47Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.57Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C1 | sing | 1.37Å | 1.36Å | |
| N1 | C1 | doub | 1.30Å | 1.29Å | |
| C1 | N2 | sing | 1.37Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 1.01Å | 1.00Å | |
| N4 | H13 | sing | 1.01Å | 1.00Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O2 | 101.9° | 109.5° |
| O1 | P | O3 | 111.6° | 109.4° |
| O1 | P | C5 | 104.0° | 109.5° |
| O2 | P | O3 | 117.7° | 109.5° |
| O2 | P | C5 | 106.2° | 109.5° |
| P | O2 | H16 | 109.5° | 114.0° |
| O3 | P | C5 | 114.0° | 109.4° |
| P | O3 | H15 | 109.5° | 114.0° |
| P | C5 | N4 | 106.4° | 109.5° |
| P | C5 | C4 | 107.8° | 109.4° |
| P | C5 | H11 | 107.1° | 109.5° |
| N4 | C5 | C4 | 114.6° | 109.5° |
| N4 | C5 | H11 | 110.6° | 109.5° |
| C5 | N4 | H12 | 109.5° | 111.0° |
| C5 | N4 | H13 | 109.5° | 111.0° |
| C5 | C4 | C3 | 108.9° | 109.5° |
| C5 | C4 | H9 | 109.6° | 109.5° |
| C5 | C4 | H10 | 109.6° | 109.5° |
| C4 | C5 | H11 | 110.0° | 109.5° |
| C4 | C3 | C2 | 105.8° | 109.5° |
| C4 | C3 | H7 | 110.4° | 109.5° |
| C4 | C3 | H8 | 110.4° | 109.5° |
| C3 | C4 | H9 | 109.6° | 109.5° |
| C3 | C4 | H10 | 109.6° | 109.5° |
| C3 | C2 | N3 | 114.3° | 109.5° |
| C3 | C2 | H5 | 108.2° | 109.5° |
| C3 | C2 | H6 | 108.3° | 109.5° |
| C2 | C3 | H7 | 110.4° | 109.5° |
| C2 | C3 | H8 | 110.4° | 109.4° |
| C2 | N3 | C1 | 122.1° | 120.0° |
| C2 | N3 | H4 | 119.0° | 120.0° |
| N3 | C2 | H5 | 108.3° | 109.5° |
| N3 | C2 | H6 | 108.3° | 109.4° |
| N3 | C1 | N1 | 116.2° | 120.0° |
| N3 | C1 | N2 | 119.5° | 120.0° |
| C1 | N3 | H4 | 118.9° | 120.0° |
| N1 | C1 | N2 | 124.2° | 120.0° |
| C1 | N1 | H1 | 112.0° | 120.0° |
| C1 | N2 | H2 | 120.0° | 120.1° |
| C1 | N2 | H3 | 120.0° | 120.0° |
| H2 | N2 | H3 | 120.0° | 120.0° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H12 | N4 | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | O2 | O3 | 122.3° | 120.0° |
| O1 | P | O2 | C5 | 108.6° | 120.0° |
| O1 | P | O3 | C5 | 117.4° | 119.9° |
| O1 | P | C5 | N4 | 54.4° | 64.9° |
| O1 | P | C5 | C4 | 177.8° | 55.1° |
| O1 | P | C5 | H11 | 63.8° | 175.0° |
| O1 | P | O3 | H15 | 0.0° | 180.0° |
| O1 | P | O2 | H16 | 0.0° | 60.0° |
| O2 | P | O3 | C5 | 125.4° | 120.0° |
| O2 | P | C5 | N4 | 52.6° | 175.0° |
| O2 | P | C5 | C4 | 70.7° | 65.0° |
| O2 | P | C5 | H11 | 170.9° | 55.0° |
| O2 | P | O3 | H15 | 117.2° | 60.0° |
| O3 | P | C5 | N4 | 176.1° | 55.0° |
| O3 | P | C5 | C4 | 60.5° | 175.0° |
| O3 | P | C5 | H11 | 57.8° | 65.1° |
| O3 | P | O2 | H16 | 122.3° | 60.0° |
| P | C5 | N4 | C4 | 119.0° | 120.0° |
| P | C5 | N4 | H11 | 115.9° | 120.0° |
| P | C5 | C4 | H11 | 116.4° | 120.0° |
| P | C5 | C4 | C3 | 150.7° | 60.0° |
| P | C5 | C4 | H9 | 89.4° | 60.0° |
| P | C5 | C4 | H10 | 30.8° | 180.0° |
| P | C5 | N4 | H12 | 180.0° | 60.0° |
| P | C5 | N4 | H13 | 60.0° | 176.1° |
| C5 | P | O3 | H15 | 117.4° | 60.0° |
| C5 | P | O2 | H16 | 108.5° | 180.0° |
| N4 | C5 | C4 | H11 | 125.4° | 120.0° |
| N4 | C5 | C4 | C3 | 91.1° | 180.0° |
| N4 | C5 | C4 | H9 | 28.8° | 60.0° |
| N4 | C5 | C4 | H10 | 149.0° | 60.0° |
| C5 | N4 | H12 | H13 | 120.0° | 123.9° |
| C5 | C4 | C3 | H9 | 119.9° | 120.0° |
| C5 | C4 | C3 | H10 | 119.9° | 120.0° |
| C5 | C4 | C3 | C2 | 148.1° | 180.0° |
| C5 | C4 | C3 | H7 | 92.5° | 60.0° |
| C5 | C4 | C3 | H8 | 28.7° | 60.0° |
| C5 | C4 | H9 | H10 | 120.3° | 120.0° |
| C4 | C5 | N4 | H12 | 61.0° | 60.0° |
| C4 | C5 | N4 | H13 | 179.0° | 64.0° |
| C4 | C3 | C2 | H7 | 119.4° | 120.0° |
| C4 | C3 | C2 | H8 | 119.4° | 120.0° |
| C4 | C3 | C2 | N3 | 112.3° | 180.0° |
| C4 | C3 | C2 | H5 | 127.0° | 60.0° |
| C4 | C3 | C2 | H6 | 8.5° | 60.0° |
| C4 | C3 | H7 | H8 | 121.7° | 120.0° |
| C3 | C4 | H9 | H10 | 120.2° | 120.0° |
| C3 | C4 | C5 | H11 | 34.2° | 60.0° |
| C3 | C2 | N3 | H5 | 120.7° | 120.0° |
| C3 | C2 | N3 | H6 | 120.7° | 120.0° |
| C3 | C2 | N3 | C1 | 146.6° | 180.0° |
| C3 | C2 | N3 | H4 | 33.4° | 0.0° |
| C3 | C2 | H5 | H6 | 117.8° | 120.1° |
| C2 | C3 | H7 | H8 | 121.7° | 120.0° |
| C2 | C3 | C4 | H9 | 28.2° | 60.0° |
| C2 | C3 | C4 | H10 | 92.0° | 60.0° |
| C2 | N3 | C1 | H4 | 180.0° | 180.0° |
| C2 | N3 | C1 | N1 | 101.0° | 0.0° |
| C2 | N3 | C1 | N2 | 76.6° | 180.0° |
| N3 | C2 | H5 | H6 | 117.8° | 120.0° |
| N3 | C2 | C3 | H7 | 7.2° | 60.0° |
| N3 | C2 | C3 | H8 | 128.3° | 60.0° |
| N3 | C1 | N1 | N2 | 177.5° | 180.0° |
| N3 | C1 | N1 | H1 | 177.5° | 180.0° |
| N3 | C1 | N2 | H2 | 177.4° | 180.0° |
| N3 | C1 | N2 | H3 | 2.6° | 0.0° |
| C1 | N3 | C2 | H5 | 92.7° | 60.0° |
| C1 | N3 | C2 | H6 | 25.9° | 60.0° |
| N1 | C1 | N2 | H2 | 0.0° | 0.0° |
| N1 | C1 | N2 | H3 | 180.0° | 180.0° |
| N1 | C1 | N3 | H4 | 79.0° | 180.0° |
| N2 | C1 | N1 | H1 | 0.0° | 0.0° |
| C1 | N2 | H2 | H3 | 180.0° | 180.0° |
| N2 | C1 | N3 | H4 | 103.4° | 0.0° |
| H4 | N3 | C2 | H5 | 87.3° | 120.0° |
| H4 | N3 | C2 | H6 | 154.1° | 120.0° |
| H5 | C2 | C3 | H7 | 113.5° | 180.0° |
| H5 | C2 | C3 | H8 | 7.6° | 60.0° |
| H6 | C2 | C3 | H7 | 127.9° | 60.0° |
| H6 | C2 | C3 | H8 | 111.0° | 180.0° |
| H7 | C3 | C4 | H9 | 147.6° | 180.0° |
| H7 | C3 | C4 | H10 | 27.5° | 60.0° |
| H8 | C3 | C4 | H9 | 91.2° | 59.9° |
| H8 | C3 | C4 | H10 | 148.6° | 180.0° |
| H9 | C4 | C5 | H11 | 154.1° | 180.0° |
| H10 | C4 | C5 | H11 | 85.7° | 60.0° |
| H11 | C5 | N4 | H12 | 64.1° | 180.0° |
| H11 | C5 | N4 | H13 | 55.9° | 56.0° |
