A1I2W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C08 | doub | 1.21Å | 1.25Å | |
| O09 | C08 | sing | 1.34Å | 1.23Å | |
| C08 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | sing | 1.55Å | 1.47Å | |
| C06 | O05 | sing | 1.45Å | 1.55Å | |
| C07 | C03 | sing | 1.54Å | 1.44Å | |
| O05 | N04 | sing | 1.48Å | 1.34Å | |
| N04 | C03 | sing | 1.48Å | 1.41Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| N04 | H7 | sing | 1.01Å | 1.00Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| O09 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C08 | O09 | 120.9° | 120.0° |
| O10 | C08 | C06 | 124.7° | 120.0° |
| O09 | C08 | C06 | 114.4° | 120.0° |
| C08 | O09 | H11 | 109.5° | 117.0° |
| C08 | C06 | C07 | 118.7° | 110.5° |
| C08 | C06 | O05 | 111.3° | 110.5° |
| C08 | C06 | H8 | 108.7° | 110.6° |
| C07 | C06 | O05 | 100.3° | 103.9° |
| C06 | C07 | C03 | 96.8° | 104.3° |
| C07 | C06 | H8 | 109.1° | 110.6° |
| C06 | C07 | H9 | 112.5° | 110.4° |
| C06 | C07 | H10 | 112.5° | 110.5° |
| C06 | O05 | N04 | 96.3° | 104.6° |
| O05 | C06 | H8 | 108.1° | 110.6° |
| C07 | C03 | N04 | 107.0° | 105.2° |
| C07 | C03 | C02 | 119.6° | 110.3° |
| C07 | C03 | H6 | 102.8° | 110.3° |
| C03 | C07 | H9 | 112.6° | 110.4° |
| C03 | C07 | H10 | 112.5° | 110.6° |
| O05 | N04 | C03 | 111.3° | 105.4° |
| O05 | N04 | H7 | 109.0° | 110.9° |
| N04 | C03 | C02 | 119.4° | 110.3° |
| N04 | C03 | H6 | 103.1° | 110.3° |
| C03 | N04 | H7 | 109.0° | 111.0° |
| C03 | C02 | C01 | 114.6° | 109.5° |
| C03 | C02 | H4 | 108.2° | 109.4° |
| C03 | C02 | H5 | 108.2° | 109.5° |
| C02 | C03 | H6 | 102.0° | 110.2° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 108.2° | 109.5° |
| C01 | C02 | H5 | 108.2° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.4° | 109.5° |
| H9 | C07 | H10 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C08 | O09 | C06 | 179.1° | 179.9° |
| O10 | C08 | C06 | C07 | 28.7° | 115.0° |
| O10 | C08 | C06 | O05 | 87.0° | 0.5° |
| O10 | C08 | C06 | H8 | 154.0° | 122.2° |
| O10 | C08 | O09 | H11 | 0.0° | 0.1° |
| O09 | C08 | C06 | C07 | 152.3° | 65.1° |
| O09 | C08 | C06 | O05 | 92.0° | 179.5° |
| O09 | C08 | C06 | H8 | 26.9° | 57.7° |
| C08 | C06 | C07 | O05 | 121.4° | 118.5° |
| C08 | C06 | C07 | H8 | 125.2° | 122.8° |
| C08 | C06 | O05 | H8 | 119.3° | 122.7° |
| C08 | C06 | C07 | C03 | 169.6° | 142.0° |
| C08 | C06 | O05 | N04 | 176.8° | 157.6° |
| C08 | C06 | C07 | H9 | 51.8° | 99.4° |
| C08 | C06 | C07 | H10 | 72.5° | 23.1° |
| C06 | C08 | O09 | H11 | 179.1° | 180.0° |
| C07 | C06 | O05 | H8 | 114.2° | 118.7° |
| C06 | C07 | C03 | H9 | 117.9° | 118.6° |
| C06 | C07 | C03 | H10 | 117.9° | 118.8° |
| C07 | C06 | O05 | N04 | 50.2° | 39.1° |
| C06 | C07 | C03 | N04 | 30.1° | 0.7° |
| C06 | C07 | C03 | C02 | 109.6° | 119.7° |
| C06 | C07 | C03 | H6 | 138.4° | 118.3° |
| C06 | C07 | H9 | H10 | 125.9° | 122.5° |
| O05 | C06 | C07 | C03 | 48.2° | 23.5° |
| C06 | O05 | N04 | C03 | 31.7° | 40.4° |
| C06 | O05 | N04 | H7 | 88.5° | 79.8° |
| O05 | C06 | C07 | H9 | 69.7° | 142.1° |
| O05 | C06 | C07 | H10 | 166.0° | 95.4° |
| C07 | C03 | N04 | O05 | 2.3° | 24.2° |
| C07 | C03 | N04 | C02 | 139.8° | 119.0° |
| C07 | C03 | N04 | H6 | 108.0° | 118.9° |
| C07 | C03 | C02 | H6 | 112.5° | 122.1° |
| C07 | C03 | C02 | C01 | 170.2° | 176.4° |
| C07 | C03 | C02 | H4 | 69.0° | 63.6° |
| C07 | C03 | C02 | H5 | 49.5° | 56.4° |
| C07 | C03 | N04 | H7 | 117.9° | 96.0° |
| C03 | C07 | C06 | H8 | 65.2° | 95.2° |
| C03 | C07 | H9 | H10 | 125.9° | 122.7° |
| O05 | N04 | C03 | H7 | 120.3° | 120.2° |
| O05 | N04 | C03 | C02 | 142.2° | 143.2° |
| O05 | N04 | C03 | H6 | 105.7° | 94.7° |
| N04 | O05 | C06 | H8 | 63.9° | 79.6° |
| N04 | C03 | C02 | H6 | 112.7° | 122.1° |
| N04 | C03 | C02 | C01 | 35.4° | 67.8° |
| N04 | C03 | C02 | H4 | 156.2° | 52.2° |
| N04 | C03 | C02 | H5 | 85.4° | 172.1° |
| N04 | C03 | C07 | H9 | 87.7° | 118.0° |
| N04 | C03 | C07 | H10 | 148.0° | 119.5° |
| C03 | C02 | C01 | H4 | 120.8° | 119.9° |
| C03 | C02 | C01 | H5 | 120.8° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 59.9° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 117.7° | 120.0° |
| C02 | C03 | N04 | H7 | 21.9° | 23.0° |
| C02 | C03 | C07 | H9 | 132.5° | 1.0° |
| C02 | C03 | C07 | H10 | 8.3° | 121.5° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.7° | 120.1° |
| C01 | C02 | C03 | H6 | 77.3° | 54.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.3° | 60.0° |
| H1 | C01 | C02 | H5 | 59.2° | 180.0° |
| H2 | C01 | C02 | H4 | 179.2° | 180.0° |
| H2 | C01 | C02 | H5 | 60.8° | 60.0° |
| H3 | C01 | C02 | H4 | 60.7° | 60.0° |
| H3 | C01 | C02 | H5 | 179.2° | 60.0° |
| H4 | C02 | C03 | H6 | 43.5° | 174.3° |
| H5 | C02 | C03 | H6 | 162.0° | 65.7° |
| H6 | C03 | N04 | H7 | 134.0° | 145.1° |
| H6 | C03 | C07 | H9 | 20.5° | 123.1° |
| H6 | C03 | C07 | H10 | 103.8° | 0.5° |
| H8 | C06 | C07 | H9 | 176.9° | 23.4° |
| H8 | C06 | C07 | H10 | 52.7° | 145.9° |
