A1EMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.22Å | 1.19Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | |
| C14 | C12 | doub | 1.39Å | 1.40Å | |
| C15 | O17 | sing | 1.34Å | 1.34Å | |
| O17 | C10 | sing | 1.35Å | 1.34Å | |
| O13 | C12 | sing | 1.36Å | 1.41Å | |
| C12 | C11 | sing | 1.40Å | 1.39Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | |
| C10 | C08 | sing | 1.42Å | 1.54Å | |
| C07 | C08 | doub | 1.36Å | 1.34Å | |
| C07 | C06 | sing | 1.41Å | 1.52Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | doub | 1.36Å | 1.32Å | |
| C05 | C03 | sing | 1.46Å | 1.53Å | |
| C02 | C03 | doub | 1.34Å | 1.31Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C14 | 122.3° | 119.8° |
| O16 | C15 | O17 | 118.4° | 119.7° |
| C15 | C14 | C12 | 118.8° | 119.3° |
| C14 | C15 | O17 | 119.3° | 120.5° |
| C15 | C14 | H141 | 120.6° | 120.3° |
| C14 | C12 | O13 | 119.9° | 120.6° |
| C14 | C12 | C11 | 119.7° | 118.8° |
| C12 | C14 | H141 | 120.6° | 120.4° |
| C15 | O17 | C10 | 123.0° | 121.2° |
| O17 | C10 | C11 | 119.9° | 120.6° |
| O17 | C10 | C08 | 113.9° | 119.7° |
| O13 | C12 | C11 | 120.1° | 120.6° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C11 | C10 | 119.0° | 119.5° |
| C12 | C11 | H111 | 120.5° | 120.3° |
| C11 | C10 | C08 | 124.8° | 119.7° |
| C10 | C11 | H111 | 120.5° | 120.2° |
| C10 | C08 | C07 | 115.5° | 120.0° |
| C10 | C08 | C09 | 121.3° | 120.0° |
| C08 | C07 | C06 | 125.3° | 120.0° |
| C07 | C08 | C09 | 123.3° | 120.0° |
| C08 | C07 | H071 | 117.3° | 120.0° |
| C07 | C06 | C05 | 119.6° | 120.0° |
| C07 | C06 | H061 | 120.2° | 120.0° |
| C06 | C07 | H071 | 117.3° | 120.0° |
| C08 | C09 | H091 | 109.5° | 109.4° |
| C08 | C09 | H092 | 109.5° | 109.5° |
| C08 | C09 | H093 | 109.5° | 109.5° |
| C06 | C05 | C03 | 122.1° | 120.0° |
| C06 | C05 | H051 | 118.9° | 120.0° |
| C05 | C06 | H061 | 120.2° | 120.0° |
| C05 | C03 | C02 | 116.5° | 120.0° |
| C05 | C03 | C04 | 121.4° | 120.0° |
| C03 | C05 | H051 | 119.0° | 120.0° |
| C03 | C02 | C01 | 121.1° | 120.0° |
| C02 | C03 | C04 | 122.1° | 120.0° |
| C03 | C02 | H021 | 119.4° | 120.1° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H021 | 119.5° | 120.0° |
| C03 | C04 | H043 | 109.5° | 109.5° |
| C03 | C04 | H041 | 109.5° | 109.4° |
| C03 | C04 | H042 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H043 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H042 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | O17 | 179.8° | 179.7° |
| O16 | C15 | C14 | C12 | 172.4° | 180.0° |
| O16 | C15 | O17 | C10 | 174.0° | 179.7° |
| O16 | C15 | C14 | H141 | 7.6° | 0.3° |
| C15 | C14 | C12 | H141 | 180.0° | 179.7° |
| C14 | C15 | O17 | C10 | 6.2° | 0.6° |
| C15 | C14 | C12 | O13 | 178.2° | 180.0° |
| C15 | C14 | C12 | C11 | 4.7° | 0.0° |
| C12 | C14 | C15 | O17 | 7.8° | 0.3° |
| C14 | C12 | O13 | C11 | 173.5° | 180.0° |
| C14 | C12 | C11 | C10 | 0.2° | 0.0° |
| C14 | C12 | C11 | H111 | 179.8° | 179.9° |
| C14 | C12 | O13 | H131 | 180.0° | 0.0° |
| C15 | O17 | C10 | C11 | 1.1° | 0.5° |
| C15 | O17 | C10 | C08 | 166.0° | 179.8° |
| O17 | C15 | C14 | H141 | 172.2° | 180.0° |
| O17 | C10 | C11 | C12 | 2.1° | 0.2° |
| O17 | C10 | C11 | C08 | 165.7° | 179.7° |
| O17 | C10 | C08 | C07 | 2.9° | 0.3° |
| O17 | C10 | C08 | C09 | 177.3° | 179.8° |
| O17 | C10 | C11 | H111 | 177.9° | 179.7° |
| O13 | C12 | C11 | C10 | 173.3° | 180.0° |
| O13 | C12 | C11 | H111 | 6.7° | 0.1° |
| O13 | C12 | C14 | H141 | 1.8° | 0.2° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C12 | C11 | C10 | C08 | 167.8° | 179.9° |
| C11 | C12 | C14 | H141 | 175.3° | 179.7° |
| C11 | C12 | O13 | H131 | 6.5° | 180.0° |
| C11 | C10 | C08 | C07 | 169.4° | 180.0° |
| C11 | C10 | C08 | C09 | 10.8° | 0.0° |
| C10 | C08 | C07 | C09 | 179.8° | 179.9° |
| C10 | C08 | C07 | C06 | 179.6° | 180.0° |
| C08 | C10 | C11 | H111 | 12.2° | 0.0° |
| C10 | C08 | C07 | H071 | 0.4° | 0.1° |
| C10 | C08 | C09 | H091 | 180.0° | 90.1° |
| C10 | C08 | C09 | H092 | 60.0° | 150.0° |
| C10 | C08 | C09 | H093 | 60.0° | 30.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 173.8° | 180.0° |
| C08 | C07 | C06 | H061 | 6.2° | 0.1° |
| C07 | C08 | C09 | H091 | 0.2° | 90.0° |
| C07 | C08 | C09 | H092 | 120.2° | 29.9° |
| C07 | C08 | C09 | H093 | 119.8° | 149.9° |
| C06 | C07 | C08 | C09 | 0.6° | 0.1° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C03 | 179.7° | 180.0° |
| C07 | C06 | C05 | H051 | 0.3° | 0.0° |
| C09 | C08 | C07 | H071 | 179.4° | 180.0° |
| C08 | C09 | H091 | H092 | 120.0° | 120.0° |
| C08 | C09 | H091 | H093 | 120.0° | 120.1° |
| C08 | C09 | H092 | H093 | 120.0° | 120.0° |
| C06 | C05 | C03 | H051 | 180.0° | 179.9° |
| C06 | C05 | C03 | C02 | 179.5° | 180.0° |
| C06 | C05 | C03 | C04 | 1.3° | 0.0° |
| C05 | C06 | C07 | H071 | 6.2° | 0.0° |
| C05 | C03 | C02 | C04 | 179.1° | 180.0° |
| C05 | C03 | C02 | C01 | 179.7° | 180.0° |
| C05 | C03 | C02 | H021 | 0.3° | 0.1° |
| C05 | C03 | C04 | H043 | 180.0° | 90.0° |
| C05 | C03 | C04 | H041 | 60.0° | 30.0° |
| C05 | C03 | C04 | H042 | 60.0° | 150.0° |
| C03 | C05 | C06 | H061 | 0.3° | 0.0° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C02 | C03 | C04 | H043 | 0.9° | 90.0° |
| C02 | C03 | C04 | H041 | 119.1° | 150.0° |
| C02 | C03 | C04 | H042 | 121.0° | 30.0° |
| C02 | C03 | C05 | H051 | 0.4° | 0.1° |
| C01 | C02 | C03 | C04 | 1.2° | 0.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C04 | C03 | C02 | H021 | 178.8° | 179.9° |
| C03 | C04 | H043 | H041 | 120.0° | 120.0° |
| C03 | C04 | H043 | H042 | 120.0° | 120.0° |
| C03 | C04 | H041 | H042 | 120.0° | 120.0° |
| C04 | C03 | C05 | H051 | 178.7° | 179.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 0.0° | 119.9° |
| H013 | C01 | C02 | H021 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 120.0° | 0.1° |
| H043 | C04 | H041 | H042 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 179.7° | 179.9° |
| H061 | C06 | C07 | H071 | 173.8° | 180.0° |
| H091 | C09 | H092 | H093 | 120.0° | 120.0° |
