OWA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C08 | doub | 1.21Å | 1.20Å | |
| C08 | C07 | sing | 1.51Å | 1.49Å | |
| C08 | O09 | sing | 1.34Å | 1.39Å | |
| C07 | C06 | sing | 1.53Å | 1.57Å | |
| O09 | C10 | sing | 1.45Å | 1.53Å | |
| C12 | C06 | sing | 1.55Å | 1.50Å | |
| C12 | C02 | sing | 1.51Å | 1.50Å | |
| C06 | C05 | sing | 1.55Å | 1.57Å | |
| O01 | C02 | doub | 1.21Å | 1.21Å | |
| C02 | N03 | sing | 1.34Å | 1.41Å | |
| C05 | N03 | sing | 1.47Å | 1.49Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C08 | C07 | 126.0° | 120.1° |
| O11 | C08 | O09 | 118.2° | 120.0° |
| C07 | C08 | O09 | 115.8° | 120.0° |
| C08 | C07 | C06 | 113.9° | 109.4° |
| C08 | C07 | H072 | 108.4° | 109.4° |
| C08 | C07 | H071 | 108.3° | 109.5° |
| C08 | O09 | C10 | 119.0° | 117.0° |
| C07 | C06 | C12 | 116.7° | 111.0° |
| C07 | C06 | C05 | 111.8° | 110.9° |
| C07 | C06 | H061 | 108.5° | 110.9° |
| C06 | C07 | H072 | 108.4° | 109.5° |
| C06 | C07 | H071 | 108.4° | 109.5° |
| O09 | C10 | H102 | 109.5° | 109.4° |
| O09 | C10 | H103 | 109.5° | 109.5° |
| O09 | C10 | H101 | 109.5° | 109.4° |
| C06 | C12 | C02 | 108.1° | 104.2° |
| C12 | C06 | C05 | 101.6° | 101.8° |
| C12 | C06 | H061 | 109.4° | 111.0° |
| C06 | C12 | H121 | 109.8° | 110.5° |
| C06 | C12 | H122 | 109.8° | 110.5° |
| C12 | C02 | O01 | 127.1° | 124.9° |
| C12 | C02 | N03 | 108.6° | 110.1° |
| C02 | C12 | H121 | 109.8° | 110.5° |
| C02 | C12 | H122 | 109.8° | 110.5° |
| C06 | C05 | N03 | 106.3° | 105.5° |
| C06 | C05 | H051 | 110.3° | 110.2° |
| C06 | C05 | H052 | 110.2° | 110.3° |
| C05 | C06 | H061 | 108.5° | 111.0° |
| O01 | C02 | N03 | 124.3° | 124.9° |
| C02 | N03 | C05 | 109.3° | 111.3° |
| C02 | N03 | C04 | 123.8° | 124.4° |
| C05 | N03 | C04 | 126.8° | 124.3° |
| N03 | C05 | H051 | 110.3° | 110.2° |
| N03 | C05 | H052 | 110.2° | 110.3° |
| N03 | C04 | H042 | 109.5° | 109.5° |
| N03 | C04 | H041 | 109.5° | 109.5° |
| N03 | C04 | H043 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H042 | C04 | H043 | 109.5° | 109.4° |
| H041 | C04 | H043 | 109.4° | 109.5° |
| H051 | C05 | H052 | 109.5° | 110.2° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C08 | C07 | O09 | 179.7° | 179.9° |
| O11 | C08 | C07 | C06 | 95.2° | 0.0° |
| O11 | C08 | O09 | C10 | 11.4° | 0.1° |
| O11 | C08 | C07 | H072 | 25.4° | 119.9° |
| O11 | C08 | C07 | H071 | 144.1° | 120.0° |
| C08 | C07 | C06 | H072 | 120.6° | 119.9° |
| C08 | C07 | C06 | H071 | 120.6° | 120.0° |
| C07 | C08 | O09 | C10 | 168.3° | 180.0° |
| C08 | C07 | C06 | C12 | 167.8° | 72.6° |
| C08 | C07 | C06 | C05 | 75.9° | 175.0° |
| C08 | C07 | C06 | H061 | 43.7° | 51.2° |
| C08 | C07 | H072 | H071 | 118.0° | 120.0° |
| O09 | C08 | C07 | C06 | 84.4° | 179.9° |
| O09 | C08 | C07 | H072 | 154.9° | 60.0° |
| O09 | C08 | C07 | H071 | 36.2° | 60.0° |
| C08 | O09 | C10 | H102 | 180.0° | 60.0° |
| C08 | O09 | C10 | H103 | 60.0° | 60.1° |
| C08 | O09 | C10 | H101 | 60.0° | 179.9° |
| C07 | C06 | C12 | C05 | 121.8° | 118.1° |
| C07 | C06 | C12 | H061 | 123.6° | 123.8° |
| C07 | C06 | C12 | C02 | 98.1° | 142.9° |
| C07 | C06 | C05 | H061 | 119.6° | 123.7° |
| C07 | C06 | C05 | N03 | 101.7° | 143.5° |
| C07 | C06 | C05 | H051 | 17.8° | 24.6° |
| C07 | C06 | C05 | H052 | 138.8° | 97.4° |
| C06 | C07 | H072 | H071 | 118.0° | 120.1° |
| C07 | C06 | C12 | H121 | 142.1° | 24.2° |
| C07 | C06 | C12 | H122 | 21.7° | 98.4° |
| O09 | C10 | H102 | H103 | 120.0° | 120.0° |
| O09 | C10 | H102 | H101 | 120.0° | 119.9° |
| O09 | C10 | H103 | H101 | 120.0° | 119.9° |
| C06 | C12 | C02 | H121 | 119.8° | 118.7° |
| C06 | C12 | C02 | H122 | 119.8° | 118.6° |
| C12 | C06 | C05 | H061 | 115.2° | 118.1° |
| C06 | C12 | C02 | O01 | 166.2° | 163.4° |
| C06 | C12 | C02 | N03 | 16.0° | 16.3° |
| C12 | C06 | C05 | N03 | 23.5° | 25.4° |
| C12 | C06 | C05 | H051 | 143.0° | 93.5° |
| C12 | C06 | C05 | H052 | 96.0° | 144.5° |
| C12 | C06 | C07 | H072 | 47.2° | 167.4° |
| C12 | C06 | C07 | H071 | 71.5° | 47.3° |
| C06 | C12 | H121 | H122 | 120.7° | 122.6° |
| C02 | C12 | C06 | C05 | 23.7° | 24.8° |
| C12 | C02 | O01 | N03 | 177.5° | 179.6° |
| C12 | C02 | N03 | C05 | 0.1° | 0.4° |
| C12 | C02 | N03 | C04 | 177.7° | 179.6° |
| C02 | C12 | C06 | H061 | 138.3° | 93.3° |
| C02 | C12 | H121 | H122 | 120.6° | 122.6° |
| C06 | C05 | N03 | C02 | 15.0° | 17.0° |
| C06 | C05 | N03 | H051 | 119.5° | 118.9° |
| C06 | C05 | N03 | H052 | 119.5° | 119.1° |
| C06 | C05 | N03 | C04 | 167.3° | 163.0° |
| C06 | C05 | H051 | H052 | 121.5° | 122.0° |
| C05 | C06 | C07 | H072 | 163.5° | 55.1° |
| C05 | C06 | C07 | H071 | 44.8° | 65.0° |
| C05 | C06 | C12 | H121 | 96.0° | 93.9° |
| C05 | C06 | C12 | H122 | 143.5° | 143.5° |
| O01 | C02 | N03 | C05 | 178.0° | 179.9° |
| O01 | C02 | N03 | C04 | 0.3° | 0.1° |
| O01 | C02 | C12 | H121 | 74.1° | 77.9° |
| O01 | C02 | C12 | H122 | 46.4° | 44.8° |
| C02 | N03 | C05 | C04 | 177.6° | 180.0° |
| C02 | N03 | C04 | H042 | 180.0° | 0.1° |
| C02 | N03 | C04 | H041 | 60.0° | 120.0° |
| C02 | N03 | C04 | H043 | 60.0° | 120.0° |
| C02 | N03 | C05 | H051 | 134.5° | 101.9° |
| C02 | N03 | C05 | H052 | 104.5° | 136.1° |
| N03 | C02 | C12 | H121 | 103.8° | 102.4° |
| N03 | C02 | C12 | H122 | 135.8° | 134.9° |
| C05 | N03 | C04 | H042 | 2.7° | 179.9° |
| C05 | N03 | C04 | H041 | 117.3° | 60.0° |
| C05 | N03 | C04 | H043 | 122.7° | 60.0° |
| N03 | C05 | H051 | H052 | 121.5° | 122.0° |
| N03 | C05 | C06 | H061 | 138.7° | 92.7° |
| N03 | C04 | H042 | H041 | 120.0° | 120.0° |
| N03 | C04 | H042 | H043 | 120.0° | 120.0° |
| N03 | C04 | H041 | H043 | 120.0° | 120.0° |
| C04 | N03 | C05 | H051 | 47.8° | 78.0° |
| C04 | N03 | C05 | H052 | 73.2° | 43.9° |
| H042 | C04 | H041 | H043 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 101.8° | 148.3° |
| H052 | C05 | C06 | H061 | 19.2° | 26.4° |
| H061 | C06 | C07 | H072 | 76.9° | 68.7° |
| H061 | C06 | C07 | H071 | 164.4° | 171.2° |
| H061 | C06 | C12 | H121 | 18.5° | 148.0° |
| H061 | C06 | C12 | H122 | 102.0° | 25.3° |
| H102 | C10 | H103 | H101 | 120.0° | 120.1° |
