9C2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| N | N1 | sing | 1.37Å | 1.41Å | |
| C1 | N1 | sing | 1.35Å | 1.31Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| O7 | P | doub | 1.48Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.46Å | |
| O5 | P | sing | 1.61Å | 1.63Å | |
| P | O6 | sing | 1.61Å | 1.53Å | |
| P | O8 | sing | 1.61Å | 1.57Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å | |
| O8 | H8 | sing | 0.97Å | 0.95Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 117.9° | 120.0° |
| O1 | C1 | C2 | 124.1° | 120.0° |
| N | N1 | C1 | 121.3° | 120.0° |
| N | N1 | H6 | 119.3° | 120.0° |
| N1 | N | H12 | 109.5° | 111.0° |
| N1 | N | H13 | 109.5° | 111.0° |
| N1 | C1 | C2 | 117.9° | 120.0° |
| C1 | N1 | H6 | 119.3° | 120.0° |
| C1 | C2 | O2 | 109.9° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H10 | 110.5° | 109.4° |
| O4 | C4 | C3 | 107.2° | 109.4° |
| O4 | C4 | C5 | 111.2° | 109.5° |
| O4 | C4 | H2 | 110.0° | 109.5° |
| C4 | O4 | H5 | 109.5° | 114.0° |
| O2 | C2 | C3 | 105.0° | 109.5° |
| O2 | C2 | H10 | 111.6° | 109.5° |
| C2 | O2 | H11 | 109.5° | 114.0° |
| C4 | C3 | C2 | 112.4° | 109.5° |
| C4 | C3 | O3 | 111.8° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.5° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C4 | C3 | H9 | 107.1° | 109.5° |
| C2 | C3 | O3 | 110.6° | 109.5° |
| C2 | C3 | H9 | 106.8° | 109.5° |
| C3 | C2 | H10 | 110.1° | 109.4° |
| C3 | O3 | H1 | 109.5° | 113.9° |
| O3 | C3 | H9 | 107.8° | 109.4° |
| C4 | C5 | O5 | 109.9° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C4 | C5 | H3 | 109.4° | 109.5° |
| C4 | C5 | H4 | 109.4° | 109.5° |
| O7 | P | O5 | 111.6° | 109.4° |
| O7 | P | O6 | 109.0° | 109.4° |
| O7 | P | O8 | 110.2° | 109.5° |
| C5 | O5 | P | 120.7° | 123.0° |
| O5 | C5 | H3 | 109.4° | 109.5° |
| O5 | C5 | H4 | 109.4° | 109.5° |
| O5 | P | O6 | 107.4° | 109.5° |
| O5 | P | O8 | 105.7° | 109.5° |
| O6 | P | O8 | 112.9° | 109.5° |
| P | O6 | H7 | 109.5° | 114.0° |
| P | O8 | H8 | 109.5° | 114.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N | 8.9° | 0.0° |
| O1 | C1 | N1 | C2 | 175.8° | 180.0° |
| O1 | C1 | C2 | O2 | 74.4° | 5.0° |
| O1 | C1 | C2 | C3 | 40.5° | 115.0° |
| O1 | C1 | N1 | H6 | 171.2° | 179.9° |
| O1 | C1 | C2 | H10 | 162.0° | 125.1° |
| N | N1 | C1 | H6 | 180.0° | 179.9° |
| N | N1 | C1 | C2 | 175.3° | 180.0° |
| N1 | N | H12 | H13 | 120.0° | 124.0° |
| N1 | C1 | C2 | O2 | 110.1° | 175.0° |
| N1 | C1 | C2 | C3 | 135.0° | 65.0° |
| N1 | C1 | C2 | H10 | 13.5° | 54.9° |
| C1 | N1 | N | H12 | 180.0° | 56.1° |
| C1 | N1 | N | H13 | 60.0° | 179.9° |
| C1 | C2 | O2 | C3 | 117.7° | 120.0° |
| C1 | C2 | O2 | H10 | 123.0° | 120.0° |
| C1 | C2 | C3 | C4 | 57.4° | 175.0° |
| C1 | C2 | C3 | H10 | 121.7° | 119.9° |
| C1 | C2 | C3 | O3 | 176.9° | 55.0° |
| C2 | C1 | N1 | H6 | 4.6° | 0.1° |
| C1 | C2 | C3 | H9 | 59.8° | 65.0° |
| C1 | C2 | O2 | H11 | 180.0° | 60.0° |
| O4 | C4 | C3 | C5 | 121.6° | 120.0° |
| O4 | C4 | C3 | H2 | 119.0° | 120.0° |
| O4 | C4 | C3 | C2 | 159.0° | 60.0° |
| O4 | C4 | C3 | O3 | 75.9° | 180.0° |
| O4 | C4 | C5 | H2 | 121.0° | 120.0° |
| O4 | C4 | C5 | O5 | 69.9° | 65.0° |
| O4 | C4 | C5 | H3 | 170.0° | 175.0° |
| O4 | C4 | C5 | H4 | 50.1° | 55.0° |
| O4 | C4 | C3 | H9 | 42.0° | 60.0° |
| O2 | C2 | C3 | C4 | 175.3° | 54.9° |
| O2 | C2 | C3 | H10 | 120.3° | 120.0° |
| O2 | C2 | C3 | O3 | 58.9° | 65.0° |
| O2 | C2 | C3 | H9 | 58.2° | 175.0° |
| C4 | C3 | C2 | O3 | 125.8° | 120.0° |
| C4 | C3 | C2 | H9 | 117.2° | 120.0° |
| C4 | C3 | O3 | H9 | 117.5° | 120.0° |
| C3 | C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C4 | C5 | O5 | 170.9° | 175.0° |
| C4 | C3 | O3 | H1 | 180.0° | 60.0° |
| C3 | C4 | C5 | H3 | 50.8° | 55.0° |
| C3 | C4 | C5 | H4 | 69.1° | 65.0° |
| C3 | C4 | O4 | H5 | 151.0° | 60.0° |
| C4 | C3 | C2 | H10 | 64.4° | 65.1° |
| C2 | C3 | O3 | H9 | 116.4° | 120.0° |
| C2 | C3 | C4 | C5 | 79.4° | 180.0° |
| C2 | C3 | O3 | H1 | 53.9° | 60.0° |
| C2 | C3 | C4 | H2 | 40.0° | 60.0° |
| C3 | C2 | O2 | H11 | 62.3° | 60.1° |
| O3 | C3 | C4 | C5 | 45.7° | 60.0° |
| O3 | C3 | C4 | H2 | 165.1° | 60.0° |
| O3 | C3 | C2 | H10 | 61.4° | 174.9° |
| C4 | C5 | O5 | H3 | 120.1° | 120.0° |
| C4 | C5 | O5 | H4 | 120.0° | 120.0° |
| C4 | C5 | O5 | P | 95.6° | 179.9° |
| C4 | C5 | H3 | H4 | 119.8° | 120.0° |
| C5 | C4 | O4 | H5 | 29.6° | 59.9° |
| C5 | C4 | C3 | H9 | 163.6° | 59.9° |
| O7 | P | O5 | C5 | 61.2° | 55.0° |
| O7 | P | O5 | O6 | 119.4° | 120.0° |
| O7 | P | O5 | O8 | 119.8° | 120.0° |
| O7 | P | O6 | O8 | 122.8° | 119.9° |
| O7 | P | O6 | H7 | 0.0° | 180.0° |
| O7 | P | O8 | H8 | 0.0° | 60.0° |
| C5 | O5 | P | O6 | 179.4° | 64.9° |
| C5 | O5 | P | O8 | 58.6° | 175.0° |
| O5 | C5 | C4 | H2 | 51.1° | 55.0° |
| O5 | C5 | H3 | H4 | 119.8° | 120.0° |
| O5 | P | O6 | O8 | 116.1° | 120.1° |
| P | O5 | C5 | H3 | 144.3° | 60.0° |
| P | O5 | C5 | H4 | 24.4° | 60.1° |
| O5 | P | O6 | H7 | 121.1° | 60.0° |
| O5 | P | O8 | H8 | 120.7° | 180.0° |
| O6 | P | O8 | H8 | 122.2° | 59.9° |
| O8 | P | O6 | H7 | 122.8° | 60.1° |
| H1 | O3 | C3 | H9 | 62.5° | 180.0° |
| H2 | C4 | C5 | H3 | 69.0° | 65.0° |
| H2 | C4 | C5 | H4 | 171.1° | 175.0° |
| H2 | C4 | O4 | H5 | 90.5° | 180.0° |
| H2 | C4 | C3 | H9 | 77.0° | 180.0° |
| H6 | N1 | N | H12 | 0.0° | 124.0° |
| H6 | N1 | N | H13 | 120.0° | 0.0° |
| H9 | C3 | C2 | H10 | 178.5° | 55.0° |
| H10 | C2 | O2 | H11 | 57.0° | 180.0° |
