4SW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | N13 | sing | 1.47Å | 1.48Å | |
| C03 | O04 | sing | 1.43Å | 1.39Å | |
| O04 | C05 | sing | 1.43Å | 1.38Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | C07 | sing | 1.53Å | 1.62Å | |
| C07 | O08 | sing | 1.43Å | 1.42Å | |
| O08 | C09 | sing | 1.43Å | 1.42Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | O11 | sing | 1.43Å | 1.49Å | |
| O11 | C10 | sing | 1.43Å | 1.45Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | 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 | H063 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| N13 | H132 | sing | 1.01Å | 1.00Å | |
| N13 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 107.1° | 109.5° |
| C01 | C02 | N13 | 111.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C01 | C02 | H021 | 109.3° | 109.5° |
| C03 | C02 | N13 | 110.6° | 109.5° |
| C02 | C03 | O04 | 103.1° | 109.5° |
| C03 | C02 | H021 | 108.6° | 109.5° |
| C02 | C03 | H031 | 111.1° | 109.5° |
| C02 | C03 | H032 | 111.1° | 109.5° |
| N13 | C02 | H021 | 109.5° | 109.4° |
| C02 | N13 | H132 | 109.5° | 110.9° |
| C02 | N13 | H1 | 109.5° | 111.0° |
| C03 | O04 | C05 | 114.2° | 114.0° |
| O04 | C03 | H031 | 111.0° | 109.4° |
| O04 | C03 | H032 | 111.1° | 109.5° |
| O04 | C05 | C06 | 107.8° | 109.5° |
| O04 | C05 | C07 | 102.1° | 109.5° |
| O04 | C05 | H051 | 112.4° | 109.5° |
| C06 | C05 | C07 | 115.0° | 109.4° |
| C06 | C05 | H051 | 110.3° | 109.4° |
| C05 | C06 | H063 | 109.5° | 109.5° |
| C05 | C06 | H061 | 109.5° | 109.4° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C07 | O08 | 107.0° | 109.4° |
| C07 | C05 | H051 | 109.0° | 109.5° |
| C05 | C07 | H072 | 110.1° | 109.5° |
| C05 | C07 | H071 | 110.1° | 109.4° |
| C07 | O08 | C09 | 113.4° | 114.0° |
| O08 | C07 | H072 | 110.1° | 109.5° |
| O08 | C07 | H071 | 110.1° | 109.5° |
| O08 | C09 | C10 | 102.8° | 109.4° |
| O08 | C09 | H092 | 111.1° | 109.4° |
| O08 | C09 | H091 | 111.1° | 109.5° |
| C09 | C10 | O11 | 103.5° | 109.5° |
| C10 | C09 | H092 | 111.1° | 109.5° |
| C10 | C09 | H091 | 111.1° | 109.5° |
| C09 | C10 | H101 | 110.9° | 109.4° |
| C09 | C10 | H102 | 110.9° | 109.5° |
| C12 | O11 | C10 | 113.7° | 114.0° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H123 | 109.5° | 109.5° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C10 | H101 | 111.0° | 109.5° |
| O11 | C10 | H102 | 110.9° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H063 | C06 | H061 | 109.5° | 109.5° |
| H063 | C06 | H062 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H132 | N13 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N13 | 121.8° | 120.0° |
| C01 | C02 | C03 | H021 | 118.0° | 120.0° |
| C01 | C02 | N13 | H021 | 121.2° | 120.0° |
| C01 | C02 | C03 | O04 | 167.8° | 55.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 73.2° | 175.0° |
| C01 | C02 | C03 | H032 | 48.8° | 65.0° |
| C01 | C02 | N13 | H132 | 180.0° | 64.0° |
| C01 | C02 | N13 | H1 | 60.0° | 60.0° |
| C03 | C02 | N13 | H021 | 119.7° | 120.0° |
| C02 | C03 | O04 | H031 | 119.0° | 120.0° |
| C02 | C03 | O04 | H032 | 119.0° | 120.1° |
| C02 | C03 | O04 | C05 | 156.8° | 180.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C03 | H031 | H032 | 123.0° | 120.0° |
| C03 | C02 | N13 | H132 | 60.9° | 56.0° |
| C03 | C02 | N13 | H1 | 59.1° | 180.0° |
| N13 | C02 | C03 | O04 | 46.0° | 65.0° |
| N13 | C02 | C01 | H011 | 58.8° | 60.0° |
| N13 | C02 | C01 | H013 | 61.2° | 179.9° |
| N13 | C02 | C01 | H012 | 178.8° | 60.0° |
| N13 | C02 | C03 | H031 | 165.0° | 55.0° |
| N13 | C02 | C03 | H032 | 73.0° | 175.0° |
| C02 | N13 | H132 | H1 | 120.0° | 123.9° |
| C03 | O04 | C05 | C06 | 135.7° | 90.0° |
| C03 | O04 | C05 | C07 | 102.7° | 150.0° |
| O04 | C03 | C02 | H021 | 74.2° | 175.0° |
| O04 | C03 | H031 | H032 | 123.0° | 120.0° |
| C03 | O04 | C05 | H051 | 14.0° | 29.9° |
| O04 | C05 | C06 | C07 | 113.1° | 120.0° |
| O04 | C05 | C06 | H051 | 123.1° | 120.0° |
| O04 | C05 | C07 | H051 | 119.1° | 120.0° |
| O04 | C05 | C07 | O08 | 97.5° | 65.0° |
| C05 | O04 | C03 | H031 | 84.2° | 60.0° |
| C05 | O04 | C03 | H032 | 37.8° | 59.9° |
| O04 | C05 | C06 | H063 | 180.0° | 60.0° |
| O04 | C05 | C06 | H061 | 60.0° | 60.0° |
| O04 | C05 | C06 | H062 | 60.0° | 180.0° |
| O04 | C05 | C07 | H072 | 142.8° | 175.0° |
| O04 | C05 | C07 | H071 | 22.1° | 55.0° |
| C06 | C05 | C07 | H051 | 124.5° | 120.0° |
| C06 | C05 | C07 | O08 | 18.9° | 55.1° |
| C05 | C06 | H063 | H061 | 120.0° | 120.0° |
| C05 | C06 | H063 | H062 | 120.0° | 120.0° |
| C05 | C06 | H061 | H062 | 120.0° | 120.0° |
| C06 | C05 | C07 | H072 | 100.8° | 65.0° |
| C06 | C05 | C07 | H071 | 138.5° | 175.0° |
| C05 | C07 | O08 | H072 | 119.6° | 120.0° |
| C05 | C07 | O08 | H071 | 119.6° | 119.9° |
| C05 | C07 | O08 | C09 | 142.4° | 180.0° |
| C07 | C05 | C06 | H063 | 66.9° | 60.0° |
| C07 | C05 | C06 | H061 | 53.1° | 180.0° |
| C07 | C05 | C06 | H062 | 173.1° | 60.0° |
| C05 | C07 | H072 | H071 | 121.1° | 120.0° |
| C07 | O08 | C09 | C10 | 133.6° | 180.0° |
| O08 | C07 | C05 | H051 | 143.3° | 175.0° |
| O08 | C07 | H072 | H071 | 121.1° | 120.0° |
| C07 | O08 | C09 | H092 | 14.6° | 60.1° |
| C07 | O08 | C09 | H091 | 107.5° | 60.0° |
| O08 | C09 | C10 | H092 | 118.9° | 119.9° |
| O08 | C09 | C10 | H091 | 118.9° | 120.0° |
| O08 | C09 | C10 | O11 | 89.2° | 65.0° |
| C09 | O08 | C07 | H072 | 98.0° | 60.0° |
| C09 | O08 | C07 | H071 | 22.8° | 60.0° |
| O08 | C09 | H092 | H091 | 123.1° | 120.0° |
| O08 | C09 | C10 | H101 | 29.9° | 175.0° |
| O08 | C09 | C10 | H102 | 151.8° | 55.0° |
| C09 | C10 | O11 | C12 | 93.2° | 180.0° |
| C09 | C10 | O11 | H101 | 119.0° | 120.0° |
| C09 | C10 | O11 | H102 | 119.0° | 120.0° |
| C10 | C09 | H092 | H091 | 123.1° | 120.1° |
| C09 | C10 | H101 | H102 | 122.7° | 120.0° |
| C12 | O11 | C10 | H101 | 147.8° | 60.0° |
| C12 | O11 | C10 | H102 | 25.8° | 60.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| O11 | C12 | H122 | H121 | 120.0° | 120.0° |
| O11 | C12 | H123 | H121 | 120.0° | 120.0° |
| O11 | C10 | C09 | H092 | 151.9° | 175.1° |
| O11 | C10 | C09 | H091 | 29.8° | 55.0° |
| O11 | C10 | H101 | H102 | 122.8° | 120.0° |
| C10 | O11 | C12 | H122 | 180.0° | 60.0° |
| C10 | O11 | C12 | H123 | 60.0° | 60.0° |
| C10 | O11 | C12 | H121 | 60.0° | 180.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 62.5° | 179.9° |
| H013 | C01 | C02 | H021 | 177.6° | 60.0° |
| H012 | C01 | C02 | H021 | 57.6° | 60.0° |
| H021 | C02 | C03 | H031 | 44.8° | 65.0° |
| H021 | C02 | C03 | H032 | 166.8° | 55.0° |
| H021 | C02 | N13 | H132 | 58.8° | 176.1° |
| H021 | C02 | N13 | H1 | 178.8° | 60.0° |
| H051 | C05 | C06 | H063 | 56.9° | 180.0° |
| H051 | C05 | C06 | H061 | 176.9° | 60.0° |
| H051 | C05 | C06 | H062 | 63.1° | 60.0° |
| H051 | C05 | C07 | H072 | 23.7° | 55.0° |
| H051 | C05 | C07 | H071 | 97.0° | 65.0° |
| H063 | C06 | H061 | H062 | 119.9° | 120.0° |
| H092 | C09 | C10 | H101 | 89.0° | 55.1° |
| H092 | C09 | C10 | H102 | 32.9° | 65.0° |
| H091 | C09 | C10 | H101 | 148.8° | 65.0° |
| H091 | C09 | C10 | H102 | 89.3° | 175.0° |
| H122 | C12 | H123 | H121 | 120.0° | 119.9° |
