A1BWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C04 | doub | 1.22Å | 1.19Å | |
| C04 | N06 | sing | 1.34Å | 1.49Å | |
| C04 | N03 | sing | 1.34Å | 1.48Å | |
| N06 | C07 | sing | 1.35Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| C07 | C09 | sing | 1.52Å | 1.51Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C09 | sing | 1.52Å | 1.51Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H131 | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C04 | N06 | 120.6° | 117.6° |
| O05 | C04 | N03 | 119.1° | 117.6° |
| N06 | C04 | N03 | 120.3° | 124.8° |
| C04 | N06 | C07 | 120.7° | 122.0° |
| C04 | N06 | H061 | 119.7° | 119.0° |
| C04 | N03 | C02 | 120.1° | 122.0° |
| C04 | N03 | H031 | 120.0° | 119.0° |
| N06 | C07 | O08 | 118.7° | 121.3° |
| N06 | C07 | C09 | 119.9° | 117.5° |
| C07 | N06 | H061 | 119.7° | 119.0° |
| N03 | C02 | O01 | 119.6° | 121.3° |
| N03 | C02 | C09 | 120.3° | 117.5° |
| C02 | N03 | H031 | 120.0° | 119.0° |
| O08 | C07 | C09 | 121.2° | 121.2° |
| C07 | C09 | C02 | 118.5° | 116.2° |
| C07 | C09 | C10 | 115.5° | 108.1° |
| C07 | C09 | H091 | 103.6° | 108.1° |
| O01 | C02 | C09 | 120.1° | 121.2° |
| C02 | C09 | C10 | 109.9° | 108.1° |
| C02 | C09 | H091 | 103.6° | 108.1° |
| C09 | C10 | C11 | 105.4° | 109.5° |
| C10 | C09 | H091 | 103.6° | 107.8° |
| C09 | C10 | H101 | 110.5° | 109.5° |
| C09 | C10 | H102 | 110.5° | 109.4° |
| C11 | C10 | H101 | 110.5° | 109.5° |
| C11 | C10 | H102 | 110.5° | 109.5° |
| C10 | C11 | H131 | 109.5° | 109.5° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H131 | C11 | H1 | 109.4° | 109.5° |
| H131 | C11 | H2 | 109.5° | 109.4° |
| H1 | C11 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C04 | N06 | N03 | 179.7° | 179.6° |
| O05 | C04 | N06 | C07 | 179.3° | 180.0° |
| O05 | C04 | N03 | C02 | 179.9° | 179.7° |
| O05 | C04 | N03 | H031 | 0.0° | 0.3° |
| O05 | C04 | N06 | H061 | 0.7° | 0.3° |
| C04 | N06 | C07 | H061 | 180.0° | 179.7° |
| N06 | C04 | N03 | C02 | 0.3° | 0.1° |
| C04 | N06 | C07 | O08 | 178.8° | 179.7° |
| C04 | N06 | C07 | C09 | 3.7° | 0.2° |
| N06 | C04 | N03 | H031 | 179.7° | 180.0° |
| N03 | C04 | N06 | C07 | 0.4° | 0.3° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 179.7° | 179.9° |
| C04 | N03 | C02 | C09 | 2.2° | 0.2° |
| N03 | C04 | N06 | H061 | 179.6° | 180.0° |
| N06 | C07 | O08 | C09 | 175.0° | 179.9° |
| N06 | C07 | C09 | C02 | 6.1° | 0.1° |
| N06 | C07 | C09 | C10 | 139.6° | 121.8° |
| N06 | C07 | C09 | H091 | 107.9° | 121.7° |
| N03 | C02 | C09 | C07 | 5.4° | 0.3° |
| N03 | C02 | O01 | C09 | 177.5° | 179.7° |
| N03 | C02 | C09 | C10 | 141.2° | 122.0° |
| N03 | C02 | C09 | H091 | 108.6° | 121.5° |
| O08 | C07 | C09 | C02 | 178.9° | 180.0° |
| O08 | C07 | C09 | C10 | 45.4° | 58.3° |
| O08 | C07 | C09 | H091 | 67.1° | 58.2° |
| O08 | C07 | N06 | H061 | 1.2° | 0.0° |
| C07 | C09 | C02 | O01 | 177.1° | 180.0° |
| C07 | C09 | C02 | C10 | 135.9° | 121.7° |
| C07 | C09 | C02 | H091 | 114.0° | 121.8° |
| C07 | C09 | C10 | H091 | 112.5° | 116.7° |
| C07 | C09 | C10 | C11 | 120.9° | 58.4° |
| C07 | C09 | C10 | H101 | 1.5° | 61.7° |
| C07 | C09 | C10 | H102 | 119.7° | 178.4° |
| C09 | C07 | N06 | H061 | 176.3° | 179.9° |
| O01 | C02 | C09 | C10 | 41.3° | 58.3° |
| O01 | C02 | C09 | H091 | 68.8° | 58.2° |
| O01 | C02 | N03 | H031 | 0.3° | 0.0° |
| C02 | C09 | C10 | H091 | 110.1° | 116.7° |
| C02 | C09 | C10 | C11 | 101.7° | 175.0° |
| C02 | C09 | C10 | H101 | 138.9° | 65.0° |
| C02 | C09 | C10 | H102 | 17.6° | 55.0° |
| C09 | C02 | N03 | H031 | 177.8° | 179.7° |
| C09 | C10 | C11 | H101 | 119.4° | 120.0° |
| C09 | C10 | C11 | H102 | 119.4° | 119.9° |
| C09 | C10 | H101 | H102 | 121.9° | 119.9° |
| C09 | C10 | C11 | H131 | 180.0° | 60.0° |
| C09 | C10 | C11 | H1 | 60.0° | 60.0° |
| C09 | C10 | C11 | H2 | 60.0° | 180.0° |
| C11 | C10 | C09 | H091 | 8.4° | 58.3° |
| C11 | C10 | H101 | H102 | 121.8° | 120.1° |
| C10 | C11 | H131 | H1 | 120.0° | 120.0° |
| C10 | C11 | H131 | H2 | 120.0° | 120.0° |
| C10 | C11 | H1 | H2 | 120.0° | 120.0° |
| H091 | C09 | C10 | H101 | 111.0° | 178.3° |
| H091 | C09 | C10 | H102 | 127.7° | 61.7° |
| H101 | C10 | C11 | H131 | 60.6° | 180.0° |
| H101 | C10 | C11 | H1 | 179.4° | 60.0° |
| H101 | C10 | C11 | H2 | 59.4° | 60.0° |
| H102 | C10 | C11 | H131 | 60.6° | 59.9° |
| H102 | C10 | C11 | H1 | 59.4° | 179.9° |
| H102 | C10 | C11 | H2 | 179.4° | 60.0° |
| H131 | C11 | H1 | H2 | 120.0° | 120.0° |
