ONW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C02 | sing | 1.47Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| O04 | C03 | sing | 1.43Å | 1.40Å | |
| O04 | C05 | sing | 1.43Å | 1.41Å | |
| C09 | O08 | sing | 1.43Å | 1.42Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C07 | O08 | sing | 1.43Å | 1.41Å | |
| C07 | C05 | sing | 1.53Å | 1.54Å | |
| C10 | O11 | sing | 1.43Å | 1.41Å | |
| O11 | C12 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | 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 | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N13 | H1 | sing | 1.01Å | 1.00Å | |
| N13 | H132 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C02 | C01 | 111.9° | 109.5° |
| N13 | C02 | C03 | 107.7° | 109.5° |
| N13 | C02 | H021 | 109.5° | 109.5° |
| C02 | N13 | H1 | 109.5° | 111.0° |
| C02 | N13 | H132 | 109.5° | 111.0° |
| C01 | C02 | C03 | 110.7° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.7° | 109.4° |
| C02 | C03 | O04 | 107.1° | 109.5° |
| C03 | C02 | H021 | 108.2° | 109.5° |
| C02 | C03 | H031 | 110.1° | 109.5° |
| C02 | C03 | H032 | 110.0° | 109.5° |
| C03 | O04 | C05 | 115.1° | 114.0° |
| O04 | C03 | H031 | 110.0° | 109.4° |
| O04 | C03 | H032 | 110.1° | 109.4° |
| O04 | C05 | C07 | 106.2° | 109.5° |
| O04 | C05 | C06 | 107.9° | 109.5° |
| O04 | C05 | H051 | 112.1° | 109.5° |
| O08 | C09 | C10 | 104.3° | 109.5° |
| C09 | O08 | C07 | 111.3° | 114.0° |
| O08 | C09 | H091 | 110.7° | 109.5° |
| O08 | C09 | H092 | 110.7° | 109.5° |
| C09 | C10 | O11 | 104.2° | 109.4° |
| C10 | C09 | H091 | 110.7° | 109.4° |
| C10 | C09 | H092 | 110.7° | 109.5° |
| C09 | C10 | H102 | 110.8° | 109.5° |
| C09 | C10 | H101 | 110.8° | 109.5° |
| O08 | C07 | C05 | 105.1° | 109.5° |
| O08 | C07 | H072 | 110.6° | 109.4° |
| O08 | C07 | H071 | 110.6° | 109.5° |
| C07 | C05 | C06 | 109.9° | 109.5° |
| C07 | C05 | H051 | 110.1° | 109.5° |
| C05 | C07 | H072 | 110.6° | 109.5° |
| C05 | C07 | H071 | 110.6° | 109.5° |
| C10 | O11 | C12 | 114.9° | 114.0° |
| O11 | C10 | H102 | 110.8° | 109.5° |
| O11 | C10 | H101 | 110.8° | 109.5° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H123 | 109.4° | 109.5° |
| C06 | C05 | H051 | 110.5° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.4° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H063 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H062 | C06 | H063 | 109.4° | 109.5° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H1 | N13 | H132 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C02 | C01 | C03 | 120.2° | 120.0° |
| N13 | C02 | C01 | H021 | 121.1° | 120.0° |
| N13 | C02 | C03 | H021 | 118.3° | 120.0° |
| N13 | C02 | C03 | O04 | 112.3° | 65.0° |
| N13 | C02 | C01 | H012 | 180.0° | 60.0° |
| N13 | C02 | C01 | H011 | 60.0° | 60.0° |
| N13 | C02 | C01 | H013 | 60.0° | 180.0° |
| N13 | C02 | C03 | H031 | 128.1° | 175.0° |
| N13 | C02 | C03 | H032 | 7.4° | 55.0° |
| C02 | N13 | H1 | H132 | 120.0° | 124.0° |
| C01 | C02 | C03 | H021 | 119.0° | 120.0° |
| C01 | C02 | C03 | O04 | 10.4° | 55.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 109.2° | 65.0° |
| C01 | C02 | C03 | H032 | 130.1° | 175.0° |
| C01 | C02 | N13 | H1 | 180.0° | 176.0° |
| C01 | C02 | N13 | H132 | 60.0° | 60.0° |
| C02 | C03 | O04 | H031 | 119.6° | 120.1° |
| C02 | C03 | O04 | H032 | 119.6° | 120.0° |
| C02 | C03 | O04 | C05 | 119.9° | 180.0° |
| C03 | C02 | C01 | H012 | 59.8° | 60.0° |
| C03 | C02 | C01 | H011 | 60.2° | 180.0° |
| C03 | C02 | C01 | H013 | 179.8° | 60.0° |
| C02 | C03 | H031 | H032 | 121.1° | 120.0° |
| C03 | C02 | N13 | H1 | 58.1° | 56.0° |
| C03 | C02 | N13 | H132 | 178.1° | 180.0° |
| C03 | O04 | C05 | C07 | 135.5° | 150.0° |
| C03 | O04 | C05 | C06 | 106.8° | 90.0° |
| O04 | C03 | C02 | H021 | 129.4° | 175.0° |
| O04 | C03 | H031 | H032 | 121.1° | 119.9° |
| C03 | O04 | C05 | H051 | 15.2° | 30.0° |
| O04 | C05 | C07 | O08 | 74.3° | 65.0° |
| O04 | C05 | C07 | C06 | 116.5° | 120.0° |
| O04 | C05 | C07 | H051 | 121.6° | 120.0° |
| O04 | C05 | C06 | H051 | 122.9° | 120.0° |
| C05 | O04 | C03 | H031 | 0.2° | 60.0° |
| C05 | O04 | C03 | H032 | 120.5° | 60.0° |
| O04 | C05 | C06 | H062 | 180.0° | 60.0° |
| O04 | C05 | C06 | H061 | 60.0° | 60.0° |
| O04 | C05 | C06 | H063 | 60.0° | 180.0° |
| O04 | C05 | C07 | H072 | 166.4° | 175.0° |
| O04 | C05 | C07 | H071 | 45.0° | 55.0° |
| O08 | C09 | C10 | H091 | 119.2° | 120.0° |
| O08 | C09 | C10 | H092 | 119.2° | 120.0° |
| C09 | O08 | C07 | C05 | 171.3° | 180.0° |
| O08 | C09 | C10 | O11 | 168.2° | 65.0° |
| C09 | O08 | C07 | H072 | 52.0° | 60.0° |
| C09 | O08 | C07 | H071 | 69.4° | 60.0° |
| O08 | C09 | H091 | H092 | 122.4° | 120.0° |
| O08 | C09 | C10 | H102 | 49.1° | 175.0° |
| O08 | C09 | C10 | H101 | 72.6° | 55.0° |
| C10 | C09 | O08 | C07 | 166.1° | 180.0° |
| C09 | C10 | O11 | H102 | 119.2° | 120.0° |
| C09 | C10 | O11 | H101 | 119.2° | 120.0° |
| C09 | C10 | O11 | C12 | 81.4° | 180.0° |
| C10 | C09 | H091 | H092 | 122.4° | 120.0° |
| C09 | C10 | H102 | H101 | 122.5° | 120.0° |
| O08 | C07 | C05 | H072 | 119.3° | 120.0° |
| O08 | C07 | C05 | H071 | 119.3° | 120.0° |
| O08 | C07 | C05 | C06 | 169.2° | 55.0° |
| O08 | C07 | C05 | H051 | 47.3° | 175.0° |
| O08 | C07 | H072 | H071 | 122.0° | 120.0° |
| C07 | O08 | C09 | H091 | 74.7° | 60.0° |
| C07 | O08 | C09 | H092 | 46.9° | 60.0° |
| C07 | C05 | C06 | H051 | 121.7° | 120.0° |
| C07 | C05 | C06 | H062 | 64.6° | 60.1° |
| C07 | C05 | C06 | H061 | 55.4° | 180.0° |
| C07 | C05 | C06 | H063 | 175.4° | 60.0° |
| C05 | C07 | H072 | H071 | 122.0° | 120.0° |
| O11 | C10 | C09 | H091 | 72.6° | 175.0° |
| O11 | C10 | C09 | H092 | 49.1° | 55.0° |
| O11 | C10 | H102 | H101 | 122.4° | 120.0° |
| C10 | O11 | C12 | H121 | 180.0° | 60.0° |
| C10 | O11 | C12 | H122 | 60.0° | 60.0° |
| C10 | O11 | C12 | H123 | 60.0° | 180.0° |
| C12 | O11 | C10 | H102 | 37.8° | 60.0° |
| C12 | O11 | C10 | H101 | 159.4° | 60.0° |
| O11 | C12 | H121 | H122 | 120.0° | 120.0° |
| O11 | C12 | H121 | H123 | 120.0° | 120.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C05 | C06 | H062 | H061 | 120.0° | 119.9° |
| C05 | C06 | H062 | H063 | 120.0° | 120.1° |
| C05 | C06 | H061 | H063 | 120.0° | 120.1° |
| C06 | C05 | C07 | H072 | 49.9° | 65.0° |
| C06 | C05 | C07 | H071 | 71.5° | 175.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 58.9° | 179.9° |
| H011 | C01 | C02 | H021 | 178.9° | 60.0° |
| H013 | C01 | C02 | H021 | 61.1° | 60.0° |
| H021 | C02 | C03 | H031 | 9.8° | 55.0° |
| H021 | C02 | C03 | H032 | 110.9° | 65.0° |
| H021 | C02 | N13 | H1 | 59.4° | 64.0° |
| H021 | C02 | N13 | H132 | 60.6° | 60.0° |
| H051 | C05 | C06 | H062 | 57.0° | 180.0° |
| H051 | C05 | C06 | H061 | 177.1° | 60.0° |
| H051 | C05 | C06 | H063 | 62.9° | 60.0° |
| H051 | C05 | C07 | H072 | 72.0° | 55.0° |
| H051 | C05 | C07 | H071 | 166.6° | 65.0° |
| H062 | C06 | H061 | H063 | 119.9° | 120.0° |
| H091 | C09 | C10 | H102 | 168.2° | 55.0° |
| H091 | C09 | C10 | H101 | 46.6° | 65.0° |
| H092 | C09 | C10 | H102 | 70.1° | 65.0° |
| H092 | C09 | C10 | H101 | 168.2° | 175.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
