9YT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C09 | doub | 1.21Å | 1.26Å | |
| O10 | C09 | sing | 1.34Å | 1.25Å | |
| C09 | C07 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C07 | N08 | sing | 1.47Å | 1.44Å | |
| C05 | N04 | sing | 1.47Å | 1.43Å | |
| N04 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | O03 | doub | 1.21Å | 1.21Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| N08 | H082 | sing | 1.01Å | 1.00Å | |
| N08 | H1 | sing | 1.01Å | 1.00Å | |
| O10 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C09 | O10 | 120.2° | 119.9° |
| O11 | C09 | C07 | 121.1° | 120.1° |
| O10 | C09 | C07 | 118.6° | 120.0° |
| C09 | O10 | H2 | 109.5° | 117.0° |
| C09 | C07 | C06 | 106.1° | 109.4° |
| C09 | C07 | N08 | 116.7° | 109.5° |
| C09 | C07 | H071 | 108.5° | 109.5° |
| C07 | C06 | C05 | 104.2° | 109.5° |
| C06 | C07 | N08 | 107.3° | 109.4° |
| C07 | C06 | H062 | 110.8° | 109.5° |
| C07 | C06 | H061 | 110.8° | 109.5° |
| C06 | C07 | H071 | 108.6° | 109.5° |
| C06 | C05 | N04 | 108.5° | 109.5° |
| C06 | C05 | H051 | 109.7° | 109.5° |
| C06 | C05 | H052 | 109.7° | 109.5° |
| C05 | C06 | H062 | 110.8° | 109.5° |
| C05 | C06 | H061 | 110.8° | 109.5° |
| N08 | C07 | H071 | 109.4° | 109.5° |
| C07 | N08 | H082 | 109.5° | 111.0° |
| C07 | N08 | H1 | 109.5° | 111.0° |
| C05 | N04 | C02 | 117.0° | 120.0° |
| C05 | N04 | H041 | 121.5° | 120.0° |
| N04 | C05 | H051 | 109.7° | 109.5° |
| N04 | C05 | H052 | 109.7° | 109.4° |
| N04 | C02 | O03 | 118.9° | 119.9° |
| N04 | C02 | C01 | 119.6° | 120.0° |
| C02 | N04 | H041 | 121.5° | 120.0° |
| O03 | C02 | C01 | 121.5° | 120.1° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H062 | C06 | H061 | 109.4° | 109.4° |
| H082 | N08 | H1 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C09 | O10 | C07 | 178.7° | 179.9° |
| O11 | C09 | C07 | C06 | 101.8° | 100.0° |
| O11 | C09 | C07 | N08 | 17.6° | 19.9° |
| O11 | C09 | C07 | H071 | 141.7° | 140.0° |
| O11 | C09 | O10 | H2 | 0.0° | 0.0° |
| O10 | C09 | C07 | C06 | 76.9° | 80.1° |
| O10 | C09 | C07 | N08 | 163.7° | 160.0° |
| O10 | C09 | C07 | H071 | 39.6° | 40.0° |
| C09 | C07 | C06 | N08 | 125.4° | 119.9° |
| C09 | C07 | C06 | H071 | 116.5° | 120.0° |
| C09 | C07 | C06 | C05 | 150.7° | 175.0° |
| C09 | C07 | N08 | H071 | 123.6° | 120.1° |
| C09 | C07 | C06 | H062 | 90.1° | 55.0° |
| C09 | C07 | C06 | H061 | 31.5° | 64.9° |
| C09 | C07 | N08 | H082 | 180.0° | 64.0° |
| C09 | C07 | N08 | H1 | 60.0° | 59.9° |
| C07 | C09 | O10 | H2 | 178.7° | 179.9° |
| C07 | C06 | C05 | H062 | 119.2° | 120.0° |
| C07 | C06 | C05 | H061 | 119.2° | 120.0° |
| C06 | C07 | N08 | H071 | 117.6° | 120.0° |
| C07 | C06 | C05 | N04 | 92.6° | 180.0° |
| C07 | C06 | C05 | H051 | 147.5° | 60.0° |
| C07 | C06 | C05 | H052 | 27.3° | 60.0° |
| C07 | C06 | H062 | H061 | 122.4° | 120.0° |
| C06 | C07 | N08 | H082 | 61.2° | 176.1° |
| C06 | C07 | N08 | H1 | 178.7° | 60.0° |
| C05 | C06 | C07 | N08 | 83.9° | 65.0° |
| C06 | C05 | N04 | H051 | 119.9° | 120.0° |
| C06 | C05 | N04 | H052 | 119.9° | 120.0° |
| C06 | C05 | N04 | C02 | 148.5° | 180.0° |
| C06 | C05 | N04 | H041 | 31.5° | 0.0° |
| C06 | C05 | H051 | H052 | 120.4° | 120.0° |
| C05 | C06 | H062 | H061 | 122.4° | 120.0° |
| C05 | C06 | C07 | H071 | 34.2° | 55.0° |
| N08 | C07 | C06 | H062 | 35.3° | 174.9° |
| N08 | C07 | C06 | H061 | 156.9° | 55.0° |
| C07 | N08 | H082 | H1 | 120.0° | 124.0° |
| C05 | N04 | C02 | H041 | 180.0° | 180.0° |
| C05 | N04 | C02 | O03 | 0.6° | 0.0° |
| C05 | N04 | C02 | C01 | 179.8° | 180.0° |
| N04 | C05 | H051 | H052 | 120.4° | 119.9° |
| N04 | C05 | C06 | H062 | 26.6° | 60.0° |
| N04 | C05 | C06 | H061 | 148.2° | 60.0° |
| N04 | C02 | O03 | C01 | 179.2° | 180.0° |
| N04 | C02 | C01 | H013 | 179.2° | 180.0° |
| N04 | C02 | C01 | H011 | 59.2° | 60.0° |
| N04 | C02 | C01 | H012 | 60.8° | 60.0° |
| C02 | N04 | C05 | H051 | 91.6° | 59.9° |
| C02 | N04 | C05 | H052 | 28.6° | 60.0° |
| O03 | C02 | C01 | H013 | 0.0° | 0.0° |
| O03 | C02 | C01 | H011 | 120.0° | 120.0° |
| O03 | C02 | C01 | H012 | 120.0° | 119.9° |
| O03 | C02 | N04 | H041 | 179.4° | 180.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C01 | C02 | N04 | H041 | 0.2° | 0.0° |
| H013 | C01 | H011 | H012 | 120.0° | 119.9° |
| H041 | N04 | C05 | H051 | 88.3° | 120.1° |
| H041 | N04 | C05 | H052 | 151.4° | 120.0° |
| H051 | C05 | C06 | H062 | 93.3° | 180.0° |
| H051 | C05 | C06 | H061 | 28.4° | 60.0° |
| H052 | C05 | C06 | H062 | 146.5° | 60.0° |
| H052 | C05 | C06 | H061 | 91.9° | 180.0° |
| H062 | C06 | C07 | H071 | 153.4° | 65.0° |
| H061 | C06 | C07 | H071 | 84.9° | 175.0° |
| H071 | C07 | N08 | H082 | 56.4° | 56.1° |
| H071 | C07 | N08 | H1 | 63.6° | 180.0° |
