O45
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | doub | 1.31Å | 1.32Å | |
| O08 | C07 | doub | 1.21Å | 1.24Å | |
| O05 | C04 | sing | 1.43Å | 1.41Å | |
| O05 | N06 | sing | 1.42Å | 1.40Å | |
| C07 | N06 | sing | 1.35Å | 1.44Å | |
| C07 | C09 | sing | 1.49Å | 1.48Å | |
| O10 | C09 | doub | 1.21Å | 1.24Å | |
| C09 | O11 | sing | 1.35Å | 1.30Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C04 | 122.0° | 120.0° |
| C03 | C02 | C01 | 117.1° | 120.0° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C04 | C02 | C01 | 120.7° | 119.9° |
| C02 | C04 | O05 | 103.6° | 109.5° |
| C02 | C04 | H041 | 110.9° | 109.4° |
| C02 | C04 | H042 | 110.9° | 109.4° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | 120.0° | 120.0° |
| O08 | C07 | N06 | 126.4° | 120.0° |
| O08 | C07 | C09 | 117.1° | 120.0° |
| C04 | O05 | N06 | 115.4° | 114.0° |
| O05 | C04 | H041 | 110.9° | 109.5° |
| O05 | C04 | H042 | 110.9° | 109.5° |
| O05 | N06 | C07 | 114.5° | 120.0° |
| O05 | N06 | H061 | 122.8° | 120.0° |
| N06 | C07 | C09 | 116.4° | 120.0° |
| C07 | N06 | H061 | 122.8° | 120.0° |
| C07 | C09 | O10 | 102.2° | 120.0° |
| C07 | C09 | O11 | 128.0° | 120.0° |
| O10 | C09 | O11 | 129.8° | 120.0° |
| C09 | O11 | H1 | 109.5° | 117.0° |
| H011 | C01 | H012 | 120.0° | 120.0° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C04 | C01 | 175.8° | 180.0° |
| C03 | C02 | C04 | O05 | 81.8° | 180.0° |
| C03 | C02 | C01 | H011 | 176.0° | 0.0° |
| C03 | C02 | C01 | H012 | 4.0° | 179.8° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 159.1° | 60.0° |
| C03 | C02 | C04 | H042 | 37.2° | 60.0° |
| C02 | C04 | O05 | H041 | 119.1° | 120.0° |
| C02 | C04 | O05 | H042 | 119.1° | 120.0° |
| C02 | C04 | O05 | N06 | 124.5° | 180.0° |
| C04 | C02 | C01 | H011 | 0.0° | 180.0° |
| C04 | C02 | C01 | H012 | 180.0° | 0.2° |
| C04 | C02 | C03 | H031 | 180.0° | 90.0° |
| C04 | C02 | C03 | H032 | 60.0° | 150.0° |
| C04 | C02 | C03 | H033 | 60.0° | 30.0° |
| C02 | C04 | H041 | H042 | 122.7° | 119.9° |
| C01 | C02 | C04 | O05 | 93.9° | 0.0° |
| C02 | C01 | H011 | H012 | 180.0° | 179.8° |
| C01 | C02 | C03 | H031 | 4.1° | 90.0° |
| C01 | C02 | C03 | H032 | 115.9° | 30.0° |
| C01 | C02 | C03 | H033 | 124.1° | 150.0° |
| C01 | C02 | C04 | H041 | 25.1° | 120.0° |
| C01 | C02 | C04 | H042 | 147.0° | 120.0° |
| O08 | C07 | N06 | O05 | 2.7° | 0.0° |
| O08 | C07 | N06 | C09 | 177.7° | 180.0° |
| O08 | C07 | C09 | O10 | 13.1° | 180.0° |
| O08 | C07 | C09 | O11 | 165.1° | 0.0° |
| O08 | C07 | N06 | H061 | 177.3° | 180.0° |
| C04 | O05 | N06 | C07 | 169.2° | 180.0° |
| O05 | C04 | H041 | H042 | 122.7° | 120.0° |
| C04 | O05 | N06 | H061 | 10.8° | 0.0° |
| O05 | N06 | C07 | H061 | 180.0° | 180.0° |
| O05 | N06 | C07 | C09 | 179.6° | 180.0° |
| N06 | O05 | C04 | H041 | 5.4° | 60.0° |
| N06 | O05 | C04 | H042 | 116.4° | 60.0° |
| N06 | C07 | C09 | O10 | 164.8° | 0.0° |
| N06 | C07 | C09 | O11 | 17.0° | 180.0° |
| C07 | C09 | O10 | O11 | 178.2° | 180.0° |
| C09 | C07 | N06 | H061 | 0.4° | 0.0° |
| C07 | C09 | O11 | H1 | 177.7° | 180.0° |
| O10 | C09 | O11 | H1 | 0.0° | 0.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |






