6IW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N04 | sing | 1.47Å | 1.40Å | |
| N04 | C08 | sing | 1.47Å | 1.57Å | |
| N04 | C05 | sing | 1.48Å | 1.25Å | |
| O02 | C10 | doub | 1.21Å | 1.21Å | |
| C08 | C07 | sing | 1.54Å | 1.27Å | |
| C10 | O03 | sing | 1.34Å | 1.19Å | |
| C10 | C05 | sing | 1.51Å | 1.50Å | |
| C05 | C06 | sing | 1.55Å | 1.53Å | |
| C07 | C06 | sing | 1.55Å | 1.52Å | |
| C07 | O01 | sing | 1.43Å | 1.42Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N04 | C08 | 103.3° | 111.0° |
| C09 | N04 | C05 | 110.7° | 111.0° |
| N04 | C09 | H093 | 109.5° | 109.5° |
| N04 | C09 | H091 | 109.4° | 109.4° |
| N04 | C09 | H092 | 109.5° | 109.5° |
| C08 | N04 | C05 | 96.2° | 108.6° |
| N04 | C08 | C07 | 102.1° | 107.2° |
| N04 | C08 | H082 | 111.3° | 109.8° |
| N04 | C08 | H081 | 111.3° | 110.1° |
| N04 | C05 | C10 | 110.0° | 110.3° |
| N04 | C05 | C06 | 87.6° | 104.8° |
| N04 | C05 | H051 | 117.9° | 110.5° |
| O02 | C10 | O03 | 116.2° | 120.0° |
| O02 | C10 | C05 | 126.3° | 120.1° |
| C08 | C07 | C06 | 102.2° | 103.0° |
| C08 | C07 | O01 | 102.1° | 110.7° |
| C08 | C07 | H071 | 114.9° | 110.9° |
| C07 | C08 | H082 | 111.3° | 109.9° |
| C07 | C08 | H081 | 111.3° | 109.9° |
| O03 | C10 | C05 | 117.5° | 120.0° |
| C10 | O03 | H2 | 109.5° | 117.0° |
| C10 | C05 | C06 | 113.8° | 110.4° |
| C10 | C05 | H051 | 112.9° | 110.3° |
| C05 | C06 | C07 | 97.2° | 101.6° |
| C06 | C05 | H051 | 112.4° | 110.4° |
| C05 | C06 | H061 | 112.5° | 111.0° |
| C05 | C06 | H062 | 112.4° | 111.0° |
| C06 | C07 | O01 | 114.6° | 110.7° |
| C07 | C06 | H061 | 112.4° | 111.0° |
| C07 | C06 | H062 | 112.5° | 111.0° |
| C06 | C07 | H071 | 110.5° | 110.7° |
| O01 | C07 | H071 | 112.0° | 110.6° |
| C07 | O01 | H011 | 109.5° | 114.0° |
| H061 | C06 | H062 | 109.5° | 110.9° |
| H082 | C08 | H081 | 109.5° | 109.9° |
| H093 | C09 | H091 | 109.5° | 109.5° |
| H093 | C09 | H092 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N04 | C08 | C05 | 113.0° | 122.2° |
| C09 | N04 | C08 | C07 | 168.7° | 123.3° |
| C09 | N04 | C05 | C10 | 71.9° | 94.8° |
| C09 | N04 | C05 | C06 | 173.6° | 146.4° |
| C09 | N04 | C05 | H051 | 59.5° | 27.4° |
| C09 | N04 | C08 | H082 | 49.9° | 117.4° |
| C09 | N04 | C08 | H081 | 72.5° | 3.8° |
| N04 | C09 | H093 | H091 | 120.0° | 119.9° |
| N04 | C09 | H093 | H092 | 120.0° | 120.0° |
| N04 | C09 | H091 | H092 | 120.0° | 120.0° |
| N04 | C08 | C07 | H082 | 118.8° | 119.3° |
| N04 | C08 | C07 | H081 | 118.8° | 119.6° |
| C08 | N04 | C05 | C10 | 178.7° | 143.0° |
| C08 | N04 | C05 | C06 | 66.8° | 24.2° |
| N04 | C08 | C07 | C06 | 9.1° | 22.3° |
| N04 | C08 | C07 | O01 | 109.7° | 140.6° |
| C08 | N04 | C05 | H051 | 47.3° | 94.8° |
| N04 | C08 | C07 | H071 | 128.9° | 96.2° |
| N04 | C08 | H082 | H081 | 123.5° | 121.2° |
| C08 | N04 | C09 | H093 | 180.0° | 60.1° |
| C08 | N04 | C09 | H091 | 60.0° | 179.9° |
| C08 | N04 | C09 | H092 | 60.0° | 59.9° |
| N04 | C05 | C10 | O02 | 133.2° | 15.1° |
| C05 | N04 | C08 | C07 | 55.8° | 1.0° |
| N04 | C05 | C10 | O03 | 47.0° | 164.6° |
| N04 | C05 | C10 | C06 | 96.4° | 115.3° |
| N04 | C05 | C10 | H051 | 133.9° | 122.4° |
| N04 | C05 | C06 | H051 | 119.2° | 119.0° |
| N04 | C05 | C06 | C07 | 63.1° | 37.1° |
| N04 | C05 | C06 | H061 | 54.8° | 81.0° |
| N04 | C05 | C06 | H062 | 178.9° | 155.2° |
| C05 | N04 | C08 | H082 | 63.0° | 120.4° |
| C05 | N04 | C08 | H081 | 174.5° | 118.5° |
| C05 | N04 | C09 | H093 | 78.0° | 60.7° |
| C05 | N04 | C09 | H091 | 162.0° | 59.3° |
| C05 | N04 | C09 | H092 | 42.0° | 179.3° |
| O02 | C10 | O03 | C05 | 179.9° | 179.7° |
| O02 | C10 | C05 | C06 | 130.4° | 100.2° |
| O02 | C10 | C05 | H051 | 0.7° | 137.4° |
| O02 | C10 | O03 | H2 | 0.0° | 0.3° |
| C08 | C07 | C06 | C05 | 28.5° | 35.7° |
| C08 | C07 | C06 | O01 | 109.6° | 118.4° |
| C08 | C07 | C06 | H071 | 122.7° | 118.6° |
| C08 | C07 | O01 | H071 | 123.4° | 123.3° |
| C08 | C07 | C06 | H061 | 89.4° | 82.4° |
| C08 | C07 | C06 | H062 | 146.5° | 153.8° |
| C07 | C08 | H082 | H081 | 123.4° | 121.1° |
| C08 | C07 | O01 | H011 | 180.0° | 66.4° |
| O03 | C10 | C05 | C06 | 49.4° | 80.0° |
| O03 | C10 | C05 | H051 | 179.1° | 42.3° |
| C10 | C05 | C06 | H051 | 129.9° | 122.3° |
| C10 | C05 | C06 | C07 | 173.9° | 155.9° |
| C10 | C05 | C06 | H061 | 56.0° | 37.7° |
| C10 | C05 | C06 | H062 | 68.1° | 86.0° |
| C05 | C10 | O03 | H2 | 179.9° | 180.0° |
| C05 | C06 | C07 | H061 | 118.0° | 118.1° |
| C05 | C06 | C07 | H062 | 117.9° | 118.1° |
| C05 | C06 | C07 | O01 | 138.1° | 154.0° |
| C05 | C06 | H061 | H062 | 125.7° | 123.9° |
| C05 | C06 | C07 | H071 | 94.2° | 82.9° |
| C06 | C07 | O01 | H071 | 126.9° | 123.1° |
| C07 | C06 | C05 | H051 | 56.1° | 81.9° |
| C07 | C06 | H061 | H062 | 125.7° | 123.8° |
| C06 | C07 | C08 | H082 | 109.7° | 97.1° |
| C06 | C07 | C08 | H081 | 127.9° | 141.9° |
| C06 | C07 | O01 | H011 | 70.3° | 180.0° |
| O01 | C07 | C06 | H061 | 20.1° | 35.9° |
| O01 | C07 | C06 | H062 | 104.0° | 87.9° |
| O01 | C07 | C08 | H082 | 131.5° | 21.3° |
| O01 | C07 | C08 | H081 | 9.1° | 99.8° |
| H051 | C05 | C06 | H061 | 174.1° | 160.0° |
| H051 | C05 | C06 | H062 | 61.8° | 36.2° |
| H061 | C06 | C07 | H071 | 147.8° | 159.0° |
| H062 | C06 | C07 | H071 | 23.7° | 35.2° |
| H071 | C07 | C08 | H082 | 10.1° | 144.5° |
| H071 | C07 | C08 | H081 | 112.3° | 23.4° |
| H071 | C07 | O01 | H011 | 56.6° | 56.9° |
| H093 | C09 | H091 | H092 | 120.0° | 120.1° |
