Q07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | P | sing | 1.82Å | 1.83Å | |
| O1 | P | doub | 1.48Å | 1.59Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| P | O | sing | 1.61Å | 1.53Å | |
| P | O2 | sing | 1.61Å | 1.49Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| O | H2 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C5 | C3 | 112.5° | 109.5° |
| N | C5 | P | 108.8° | 109.5° |
| N | C5 | H3 | 108.5° | 109.5° |
| C5 | N | H4 | 109.5° | 111.0° |
| C5 | N | H5 | 109.4° | 110.9° |
| C1 | C2 | C3 | 114.2° | 109.5° |
| C2 | C1 | C | 110.1° | 109.5° |
| C1 | C2 | H11 | 108.2° | 109.5° |
| C1 | C2 | H12 | 108.3° | 109.5° |
| C2 | C1 | H13 | 109.3° | 109.5° |
| C2 | C1 | H14 | 109.3° | 109.4° |
| C2 | C3 | C5 | 110.3° | 109.5° |
| C2 | C3 | C4 | 112.5° | 109.5° |
| C2 | C3 | H7 | 106.6° | 109.5° |
| C3 | C2 | H11 | 108.3° | 109.4° |
| C3 | C2 | H12 | 108.3° | 109.5° |
| C3 | C5 | P | 114.0° | 109.5° |
| C5 | C3 | C4 | 114.6° | 109.5° |
| C3 | C5 | H3 | 107.7° | 109.5° |
| C5 | C3 | H7 | 106.3° | 109.4° |
| C5 | P | O1 | 103.6° | 109.5° |
| C5 | P | O | 112.3° | 109.5° |
| C5 | P | O2 | 109.7° | 109.5° |
| P | C5 | H3 | 104.9° | 109.5° |
| O1 | P | O | 110.1° | 109.4° |
| O1 | P | O2 | 102.9° | 109.5° |
| C | C1 | H13 | 109.3° | 109.4° |
| C | C1 | H14 | 109.3° | 109.5° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C4 | C3 | H7 | 105.9° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.4° |
| C3 | C4 | H10 | 109.5° | 109.5° |
| O | P | O2 | 117.0° | 109.5° |
| P | O | H2 | 109.5° | 114.0° |
| P | O2 | H1 | 109.5° | 114.0° |
| H4 | N | H5 | 109.5° | 111.0° |
| H8 | C4 | H9 | 109.4° | 109.4° |
| H8 | C4 | H10 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.4° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C5 | C3 | C2 | 71.1° | 55.0° |
| N | C5 | C3 | P | 124.5° | 120.0° |
| N | C5 | C3 | H3 | 119.6° | 120.0° |
| N | C5 | P | H3 | 115.9° | 120.0° |
| N | C5 | P | O1 | 36.1° | 65.0° |
| N | C5 | C3 | C4 | 160.8° | 175.0° |
| N | C5 | P | O | 155.0° | 55.0° |
| N | C5 | P | O2 | 73.2° | 175.0° |
| C5 | N | H4 | H5 | 120.0° | 123.9° |
| N | C5 | C3 | H7 | 44.1° | 65.0° |
| C1 | C2 | C3 | H11 | 120.7° | 120.0° |
| C1 | C2 | C3 | H12 | 120.7° | 120.0° |
| C1 | C2 | C3 | C5 | 166.3° | 175.0° |
| C2 | C1 | C | H13 | 120.1° | 120.0° |
| C2 | C1 | C | H14 | 120.1° | 120.0° |
| C1 | C2 | C3 | C4 | 64.4° | 65.0° |
| C1 | C2 | C3 | H7 | 51.2° | 55.0° |
| C1 | C2 | H11 | H12 | 117.8° | 120.0° |
| C2 | C1 | H13 | H14 | 119.7° | 120.0° |
| C2 | C1 | C | H15 | 180.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 60.0° |
| C2 | C1 | C | H17 | 60.0° | 180.0° |
| C2 | C3 | C5 | C4 | 128.2° | 120.0° |
| C2 | C3 | C5 | H7 | 115.2° | 120.0° |
| C2 | C3 | C5 | P | 164.4° | 175.0° |
| C3 | C2 | C1 | C | 124.9° | NaN° |
| C2 | C3 | C4 | H7 | 116.0° | 120.0° |
| C2 | C3 | C5 | H3 | 48.5° | 65.0° |
| C2 | C3 | C4 | H8 | 180.0° | 60.0° |
| C2 | C3 | C4 | H9 | 60.0° | 180.0° |
| C2 | C3 | C4 | H10 | 60.0° | 60.0° |
| C3 | C2 | H11 | H12 | 117.8° | 120.0° |
| C3 | C2 | C1 | H13 | 115.0° | 60.0° |
| C3 | C2 | C1 | H14 | 4.8° | 60.0° |
| C3 | C5 | P | H3 | 117.6° | 120.0° |
| C3 | C5 | P | O1 | 162.6° | 55.0° |
| C5 | C3 | C4 | H7 | 116.9° | 120.0° |
| C3 | C5 | P | O | 78.6° | 175.0° |
| C3 | C5 | P | O2 | 53.3° | 65.0° |
| C3 | C5 | N | H4 | 180.0° | 60.0° |
| C3 | C5 | N | H5 | 60.0° | 64.0° |
| C5 | C3 | C4 | H8 | 52.9° | 180.0° |
| C5 | C3 | C4 | H9 | 67.0° | 60.0° |
| C5 | C3 | C4 | H10 | 172.9° | 60.0° |
| C5 | C3 | C2 | H11 | 45.6° | 65.0° |
| C5 | C3 | C2 | H12 | 73.0° | 55.0° |
| C5 | P | O1 | O | 120.3° | 120.0° |
| C5 | P | O1 | O2 | 114.2° | 120.0° |
| P | C5 | C3 | C4 | 36.2° | 65.0° |
| C5 | P | O | O2 | 128.1° | 120.0° |
| C5 | P | O2 | H1 | 109.7° | 60.0° |
| C5 | P | O | H2 | 114.9° | 180.0° |
| P | C5 | N | H4 | 52.7° | 60.0° |
| P | C5 | N | H5 | 67.3° | 176.0° |
| P | C5 | C3 | H7 | 80.4° | 55.0° |
| O1 | P | O | O2 | 117.0° | 120.0° |
| O1 | P | O2 | H1 | 0.0° | 180.0° |
| O1 | P | O | H2 | 0.0° | 60.0° |
| O1 | P | C5 | H3 | 79.8° | 175.1° |
| C | C1 | C2 | H11 | 114.4° | 60.0° |
| C | C1 | C2 | H12 | 4.2° | 59.9° |
| C | C1 | H13 | H14 | 119.7° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.1° |
| C4 | C3 | C5 | H3 | 79.7° | 55.0° |
| C3 | C4 | H8 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H10 | 120.0° | 120.0° |
| C3 | C4 | H9 | H10 | 120.0° | 120.0° |
| C4 | C3 | C2 | H11 | 174.9° | 55.0° |
| C4 | C3 | C2 | H12 | 56.3° | 175.0° |
| O | P | O2 | H1 | 120.9° | 60.0° |
| O | P | C5 | H3 | 39.0° | 65.0° |
| O2 | P | O | H2 | 117.0° | 60.0° |
| O2 | P | C5 | H3 | 170.9° | 55.0° |
| H3 | C5 | N | H4 | 60.9° | 180.0° |
| H3 | C5 | N | H5 | 179.1° | 56.0° |
| H3 | C5 | C3 | H7 | 163.7° | 175.0° |
| H7 | C3 | C4 | H8 | 64.0° | 60.0° |
| H7 | C3 | C4 | H9 | 176.1° | 60.0° |
| H7 | C3 | C4 | H10 | 56.0° | 179.9° |
| H7 | C3 | C2 | H11 | 69.4° | 175.0° |
| H7 | C3 | C2 | H12 | 171.9° | 65.0° |
| H8 | C4 | H9 | H10 | 120.0° | 120.0° |
| H11 | C2 | C1 | H13 | 5.7° | 180.0° |
| H11 | C2 | C1 | H14 | 125.5° | 60.0° |
| H12 | C2 | C1 | H13 | 124.3° | 60.0° |
| H12 | C2 | C1 | H14 | 115.9° | 180.0° |
| H13 | C1 | C | H15 | 59.9° | 180.0° |
| H13 | C1 | C | H16 | 179.9° | 60.0° |
| H13 | C1 | C | H17 | 60.1° | 60.0° |
| H14 | C1 | C | H15 | 59.9° | 60.0° |
| H14 | C1 | C | H16 | 60.1° | 179.9° |
| H14 | C1 | C | H17 | 179.9° | 60.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
