9OX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C02 | sing | 1.44Å | 1.48Å | |
| N03 | C04 | sing | 1.49Å | 1.47Å | |
| C02 | C01 | sing | 1.54Å | 1.54Å | |
| C01 | C07 | sing | 1.46Å | 1.54Å | |
| C04 | C05 | sing | 1.54Å | 1.54Å | |
| C07 | O06 | sing | 1.45Å | 1.47Å | |
| C05 | O06 | sing | 1.40Å | 1.47Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| N03 | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N03 | C04 | 113.0° | 114.2° |
| N03 | C02 | C01 | 109.8° | 108.2° |
| N03 | C02 | H3 | 109.4° | 109.7° |
| N03 | C02 | H4 | 109.4° | 109.8° |
| C02 | N03 | H11 | 108.6° | 111.0° |
| N03 | C04 | C05 | 112.1° | 111.9° |
| N03 | C04 | H5 | 108.8° | 109.0° |
| N03 | C04 | H6 | 108.8° | 108.9° |
| C04 | N03 | H11 | 108.6° | 110.9° |
| C02 | C01 | C07 | 113.5° | 112.0° |
| C02 | C01 | H1 | 108.5° | 109.0° |
| C02 | C01 | H2 | 108.5° | 108.9° |
| C01 | C02 | H3 | 109.4° | 109.7° |
| C01 | C02 | H4 | 109.4° | 109.7° |
| C01 | C07 | O06 | 109.2° | 111.3° |
| C07 | C01 | H1 | 108.5° | 109.0° |
| C07 | C01 | H2 | 108.4° | 109.0° |
| C01 | C07 | H9 | 109.5° | 109.1° |
| C01 | C07 | H10 | 109.6° | 109.1° |
| C04 | C05 | O06 | 111.6° | 113.2° |
| C05 | C04 | H5 | 108.8° | 109.0° |
| C05 | C04 | H6 | 108.8° | 109.0° |
| C04 | C05 | H7 | 109.0° | 108.8° |
| C04 | C05 | H8 | 108.9° | 108.8° |
| C07 | O06 | C05 | 113.0° | 112.9° |
| O06 | C07 | H9 | 109.5° | 109.1° |
| O06 | C07 | H10 | 109.5° | 109.1° |
| O06 | C05 | H7 | 108.9° | 108.8° |
| O06 | C05 | H8 | 108.9° | 108.7° |
| H1 | C01 | H2 | 109.4° | 109.0° |
| H3 | C02 | H4 | 109.5° | 109.8° |
| H5 | C04 | H6 | 109.5° | 109.0° |
| H7 | C05 | H8 | 109.5° | 108.6° |
| H9 | C07 | H10 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N03 | C04 | H11 | 120.5° | 126.3° |
| N03 | C02 | C01 | H3 | 120.0° | 119.7° |
| N03 | C02 | C01 | H4 | 120.1° | 119.7° |
| N03 | C02 | C01 | C07 | 98.1° | 79.5° |
| C02 | N03 | C04 | C05 | 35.8° | 41.2° |
| N03 | C02 | C01 | H1 | 22.5° | 41.2° |
| N03 | C02 | C01 | H2 | 141.3° | 159.9° |
| N03 | C02 | H3 | H4 | 119.9° | 120.7° |
| C02 | N03 | C04 | H5 | 156.2° | 161.8° |
| C02 | N03 | C04 | H6 | 84.6° | 79.4° |
| C04 | N03 | C02 | C01 | 44.1° | 93.3° |
| N03 | C04 | C05 | H5 | 120.4° | 120.6° |
| N03 | C04 | C05 | H6 | 120.4° | 120.5° |
| N03 | C04 | C05 | O06 | 96.9° | 41.3° |
| C04 | N03 | C02 | H3 | 164.2° | 26.3° |
| C04 | N03 | C02 | H4 | 75.9° | 147.0° |
| N03 | C04 | H5 | H6 | 118.8° | 118.8° |
| N03 | C04 | C05 | H7 | 23.4° | 79.8° |
| N03 | C04 | C05 | H8 | 142.8° | 162.1° |
| C02 | C01 | C07 | H1 | 120.6° | 120.7° |
| C02 | C01 | C07 | H2 | 120.6° | 120.5° |
| C02 | C01 | C07 | O06 | 74.7° | 59.7° |
| C02 | C01 | H1 | H2 | 118.2° | 118.7° |
| C01 | C02 | H3 | H4 | 119.8° | 120.5° |
| C02 | C01 | C07 | H9 | 165.3° | 179.8° |
| C02 | C01 | C07 | H10 | 45.2° | 60.8° |
| C01 | C02 | N03 | H11 | 164.7° | 140.3° |
| C01 | C07 | O06 | H9 | 119.9° | 120.5° |
| C01 | C07 | O06 | H10 | 120.0° | 120.5° |
| C01 | C07 | O06 | C05 | 54.3° | 79.6° |
| C07 | C01 | H1 | H2 | 118.1° | 118.8° |
| C07 | C01 | C02 | H3 | 141.8° | 40.1° |
| C07 | C01 | C02 | H4 | 21.9° | 160.7° |
| C01 | C07 | H9 | H10 | 120.2° | 119.1° |
| C04 | C05 | O06 | C07 | 80.1° | 94.5° |
| C04 | C05 | O06 | H7 | 120.3° | 121.0° |
| C04 | C05 | O06 | H8 | 120.3° | 120.9° |
| C05 | C04 | H5 | H6 | 118.8° | 118.9° |
| C04 | C05 | H7 | H8 | 119.0° | 118.2° |
| C05 | C04 | N03 | H11 | 84.7° | 167.5° |
| O06 | C07 | C01 | H1 | 45.9° | 61.0° |
| O06 | C07 | C01 | H2 | 164.7° | 179.8° |
| C07 | O06 | C05 | H7 | 40.2° | 26.5° |
| C07 | O06 | C05 | H8 | 159.6° | 144.6° |
| O06 | C07 | H9 | H10 | 120.1° | 119.0° |
| O06 | C05 | C04 | H5 | 142.7° | 79.3° |
| O06 | C05 | C04 | H6 | 23.5° | 161.8° |
| O06 | C05 | H7 | H8 | 119.0° | 118.1° |
| C05 | O06 | C07 | H9 | 174.2° | 160.0° |
| C05 | O06 | C07 | H10 | 65.7° | 40.9° |
| H1 | C01 | C02 | H3 | 97.6° | 160.8° |
| H1 | C01 | C02 | H4 | 142.6° | 78.6° |
| H1 | C01 | C07 | H9 | 74.0° | 59.5° |
| H1 | C01 | C07 | H10 | 165.9° | 178.6° |
| H2 | C01 | C02 | H3 | 21.2° | 80.4° |
| H2 | C01 | C02 | H4 | 98.7° | 40.2° |
| H2 | C01 | C07 | H9 | 44.7° | 59.3° |
| H2 | C01 | C07 | H10 | 75.4° | 59.7° |
| H3 | C02 | N03 | H11 | 75.3° | 100.0° |
| H4 | C02 | N03 | H11 | 44.6° | 20.7° |
| H5 | C04 | C05 | H7 | 96.9° | 159.6° |
| H5 | C04 | C05 | H8 | 22.4° | 41.5° |
| H5 | C04 | N03 | H11 | 35.7° | 71.8° |
| H6 | C04 | C05 | H7 | 143.8° | 40.8° |
| H6 | C04 | C05 | H8 | 96.8° | 77.3° |
| H6 | C04 | N03 | H11 | 154.9° | 47.0° |
