A1IVP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.54Å | 1.57Å | |
| O05 | C04 | sing | 1.43Å | 1.31Å | |
| C06 | C04 | sing | 1.55Å | 1.58Å | |
| O07 | C06 | sing | 1.43Å | 1.48Å | |
| C08 | C06 | sing | 1.55Å | 1.29Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.50Å | |
| O11 | C08 | sing | 1.44Å | 1.68Å | |
| C03 | O11 | sing | 1.43Å | 1.30Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | 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 | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 108.3° | 109.4° |
| O01 | C02 | H021 | 109.8° | 109.5° |
| O01 | C02 | H022 | 109.8° | 109.4° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | C04 | 110.5° | 109.8° |
| C02 | C03 | O11 | 111.3° | 109.8° |
| C03 | C02 | H021 | 109.8° | 109.5° |
| C03 | C02 | H022 | 109.8° | 109.5° |
| C02 | C03 | H031 | 109.1° | 109.8° |
| C03 | C04 | O05 | 111.3° | 110.8° |
| C03 | C04 | C06 | 101.6° | 102.2° |
| C04 | C03 | O11 | 104.3° | 107.6° |
| C04 | C03 | H031 | 108.7° | 109.9° |
| C03 | C04 | H041 | 109.4° | 110.9° |
| O05 | C04 | C06 | 111.4° | 111.0° |
| O05 | C04 | H041 | 113.3° | 110.8° |
| C04 | O05 | H051 | 109.5° | 114.1° |
| C04 | C06 | O07 | 110.5° | 111.1° |
| C04 | C06 | C08 | 103.4° | 101.0° |
| C06 | C04 | H041 | 109.3° | 110.9° |
| C04 | C06 | H061 | 108.8° | 111.2° |
| O07 | C06 | C08 | 111.0° | 111.1° |
| O07 | C06 | H061 | 110.0° | 111.0° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C06 | C08 | C09 | 111.1° | 110.3° |
| C06 | C08 | O11 | 106.7° | 105.1° |
| C08 | C06 | H061 | 113.1° | 111.1° |
| C06 | C08 | H081 | 112.5° | 110.3° |
| O10 | C09 | C08 | 107.6° | 109.5° |
| O10 | C09 | H091 | 109.9° | 109.5° |
| O10 | C09 | H092 | 109.9° | 109.5° |
| C09 | O10 | H101 | 109.5° | 114.0° |
| C09 | C08 | O11 | 109.9° | 110.4° |
| C09 | C08 | H081 | 109.3° | 110.3° |
| C08 | C09 | H091 | 109.9° | 109.5° |
| C08 | C09 | H092 | 109.9° | 109.5° |
| C08 | O11 | C03 | 107.0° | 110.0° |
| O11 | C08 | H081 | 107.1° | 110.3° |
| O11 | C03 | H031 | 112.8° | 109.9° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H021 | 119.8° | 120.0° |
| O01 | C02 | C03 | H022 | 119.8° | 120.0° |
| O01 | C02 | C03 | C04 | 175.4° | 175.4° |
| O01 | C02 | C03 | O11 | 69.1° | 66.4° |
| O01 | C02 | H021 | H022 | 120.6° | 119.9° |
| O01 | C02 | C03 | H031 | 56.0° | 54.5° |
| C02 | C03 | C04 | O11 | 119.8° | 119.5° |
| C02 | C03 | C04 | H031 | 119.7° | 120.9° |
| C02 | C03 | C04 | O05 | 84.3° | 100.8° |
| C02 | C03 | C04 | C06 | 157.1° | 140.9° |
| C02 | C03 | O11 | C08 | 140.3° | 117.8° |
| C02 | C03 | O11 | H031 | 123.0° | 120.9° |
| C03 | C02 | H021 | H022 | 120.5° | 120.1° |
| C02 | C03 | C04 | H041 | 41.7° | 22.7° |
| C03 | C02 | O01 | H011 | 180.0° | 179.9° |
| C03 | C04 | O05 | C06 | 112.6° | 112.9° |
| C03 | C04 | O05 | H041 | 123.7° | 123.5° |
| C03 | C04 | C06 | H041 | 115.5° | 118.2° |
| C03 | C04 | C06 | O07 | 159.4° | 152.1° |
| C03 | C04 | C06 | C08 | 40.6° | 34.2° |
| C04 | C03 | O11 | C08 | 21.2° | 1.7° |
| C04 | C03 | O11 | H031 | 117.8° | 119.6° |
| C04 | C03 | C02 | H021 | 64.8° | 55.5° |
| C04 | C03 | C02 | H022 | 55.6° | 64.6° |
| C03 | C04 | C06 | H061 | 79.9° | 83.7° |
| C03 | C04 | O05 | H051 | 180.0° | 61.5° |
| O05 | C04 | C06 | H041 | 125.9° | 123.6° |
| O05 | C04 | C06 | O07 | 82.1° | 89.7° |
| O05 | C04 | C06 | C08 | 159.2° | 152.4° |
| O05 | C04 | C03 | O11 | 156.0° | 139.7° |
| O05 | C04 | C03 | H031 | 35.4° | 20.2° |
| O05 | C04 | C06 | H061 | 38.7° | 34.5° |
| C04 | C06 | O07 | C08 | 114.0° | 111.6° |
| C04 | C06 | O07 | H061 | 120.0° | 124.3° |
| C04 | C06 | C08 | H061 | 117.5° | 118.0° |
| C04 | C06 | C08 | C09 | 147.8° | 155.5° |
| C04 | C06 | C08 | O11 | 27.9° | 36.5° |
| C06 | C04 | C03 | O11 | 37.3° | 21.4° |
| C06 | C04 | C03 | H031 | 83.2° | 98.2° |
| C04 | C06 | C08 | H081 | 89.3° | 82.4° |
| C06 | C04 | O05 | H051 | 67.4° | 174.4° |
| C04 | C06 | O07 | H071 | 180.0° | 179.9° |
| O07 | C06 | C08 | H061 | 124.1° | 124.1° |
| O07 | C06 | C08 | C09 | 93.8° | 86.6° |
| O07 | C06 | C08 | O11 | 146.3° | 154.4° |
| O07 | C06 | C04 | H041 | 43.9° | 33.9° |
| O07 | C06 | C08 | H081 | 29.2° | 35.5° |
| C06 | C08 | C09 | O10 | 138.3° | 175.0° |
| C06 | C08 | C09 | O11 | 117.9° | 115.7° |
| C06 | C08 | C09 | H081 | 124.8° | 122.1° |
| C06 | C08 | O11 | H081 | 120.7° | 118.9° |
| C06 | C08 | O11 | C03 | 4.9° | 24.4° |
| C08 | C06 | C04 | H041 | 74.9° | 84.1° |
| C06 | C08 | C09 | H091 | 102.0° | 55.0° |
| C06 | C08 | C09 | H092 | 18.6° | 65.0° |
| C08 | C06 | O07 | H071 | 65.9° | 68.4° |
| O10 | C09 | C08 | H091 | 119.7° | 120.0° |
| O10 | C09 | C08 | H092 | 119.7° | 120.0° |
| O10 | C09 | C08 | O11 | 103.8° | 69.2° |
| O10 | C09 | C08 | H081 | 13.5° | 52.9° |
| O10 | C09 | H091 | H092 | 120.9° | 120.0° |
| C09 | C08 | O11 | H081 | 118.7° | 122.1° |
| C09 | C08 | O11 | C03 | 125.5° | 143.4° |
| C09 | C08 | C06 | H061 | 30.3° | 37.5° |
| C08 | C09 | H091 | H092 | 120.9° | 120.0° |
| C08 | C09 | O10 | H101 | 180.0° | 180.0° |
| C08 | O11 | C03 | H031 | 96.7° | 121.3° |
| O11 | C08 | C06 | H061 | 89.5° | 81.5° |
| O11 | C08 | C09 | H091 | 15.9° | 170.8° |
| O11 | C08 | C09 | H092 | 136.5° | 50.8° |
| O11 | C03 | C02 | H021 | 50.7° | 173.6° |
| O11 | C03 | C02 | H022 | 171.1° | 53.5° |
| O11 | C03 | C04 | H041 | 78.1° | 96.8° |
| C03 | O11 | C08 | H081 | 115.8° | 94.5° |
| H021 | C02 | C03 | H031 | 175.8° | 65.5° |
| H021 | C02 | O01 | H011 | 60.2° | 60.0° |
| H022 | C02 | C03 | H031 | 63.8° | 174.4° |
| H022 | C02 | O01 | H011 | 60.2° | 60.0° |
| H031 | C03 | C04 | H041 | 161.3° | 143.6° |
| H041 | C04 | C06 | H061 | 164.6° | 158.1° |
| H041 | C04 | O05 | H051 | 56.2° | 62.0° |
| H061 | C06 | C08 | H081 | 153.3° | 159.6° |
| H061 | C06 | O07 | H071 | 60.0° | 55.8° |
| H081 | C08 | C09 | H091 | 133.2° | 67.1° |
| H081 | C08 | C09 | H092 | 106.2° | 172.9° |
| H091 | C09 | O10 | H101 | 60.3° | 60.0° |
| H092 | C09 | O10 | H101 | 60.3° | 60.0° |






