A1EMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | O36 | doub | 1.21Å | 1.20Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| O38 | C39 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C40 | O41 | sing | 1.43Å | 1.44Å | |
| O41 | C42 | sing | 1.43Å | 1.44Å | |
| C42 | C43 | sing | 1.53Å | 1.57Å | |
| C43 | O44 | sing | 1.43Å | 1.43Å | |
| O44 | C45 | sing | 1.43Å | 1.44Å | |
| C45 | C46 | sing | 1.53Å | 1.56Å | |
| C47 | O58 | doub | 1.21Å | 1.18Å | |
| C46 | C47 | sing | 1.51Å | 1.56Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C34 | OXT | sing | 1.34Å | 1.47Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C47 | O1 | sing | 1.34Å | 1.47Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | O36 | 121.9° | 119.9° |
| C34 | C35 | C37 | 114.3° | 109.5° |
| C34 | C35 | H352 | 108.2° | 109.4° |
| C34 | C35 | H351 | 108.2° | 109.5° |
| C35 | C34 | OXT | 116.6° | 120.0° |
| O36 | C34 | OXT | 121.4° | 120.0° |
| C35 | C37 | O38 | 110.5° | 109.5° |
| C37 | C35 | H352 | 108.2° | 109.5° |
| C37 | C35 | H351 | 108.3° | 109.5° |
| C35 | C37 | H372 | 109.2° | 109.5° |
| C35 | C37 | H371 | 109.2° | 109.5° |
| C37 | O38 | C39 | 116.2° | 114.0° |
| O38 | C37 | H372 | 109.2° | 109.5° |
| O38 | C37 | H371 | 109.2° | 109.5° |
| O38 | C39 | C40 | 102.6° | 109.5° |
| O38 | C39 | H392 | 111.2° | 109.5° |
| O38 | C39 | H391 | 111.2° | 109.5° |
| C39 | C40 | O41 | 107.5° | 109.4° |
| C40 | C39 | H392 | 111.2° | 109.5° |
| C40 | C39 | H391 | 111.2° | 109.5° |
| C39 | C40 | H402 | 110.0° | 109.5° |
| C39 | C40 | H401 | 110.0° | 109.5° |
| C40 | O41 | C42 | 111.5° | 113.9° |
| O41 | C40 | H402 | 109.9° | 109.5° |
| O41 | C40 | H401 | 109.9° | 109.5° |
| O41 | C42 | C43 | 105.6° | 109.4° |
| O41 | C42 | H422 | 110.4° | 109.5° |
| O41 | C42 | H421 | 110.4° | 109.5° |
| C42 | C43 | O44 | 106.6° | 109.5° |
| C43 | C42 | H422 | 110.4° | 109.5° |
| C43 | C42 | H421 | 110.5° | 109.4° |
| C42 | C43 | H431 | 110.2° | 109.4° |
| C42 | C43 | H432 | 110.2° | 109.5° |
| C43 | O44 | C45 | 113.6° | 114.0° |
| O44 | C43 | H431 | 110.2° | 109.5° |
| O44 | C43 | H432 | 110.2° | 109.5° |
| O44 | C45 | C46 | 111.3° | 109.5° |
| O44 | C45 | H452 | 109.0° | 109.4° |
| O44 | C45 | H451 | 109.0° | 109.5° |
| C45 | C46 | C47 | 114.7° | 109.5° |
| C46 | C45 | H452 | 109.0° | 109.5° |
| C46 | C45 | H451 | 109.0° | 109.5° |
| C45 | C46 | H461 | 108.1° | 109.5° |
| C45 | C46 | H462 | 108.1° | 109.5° |
| O58 | C47 | C46 | 119.8° | 120.0° |
| O58 | C47 | O1 | 122.0° | 120.0° |
| C47 | C46 | H461 | 108.2° | 109.5° |
| C47 | C46 | H462 | 108.2° | 109.5° |
| C46 | C47 | O1 | 118.2° | 120.0° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.4° | 109.5° |
| H392 | C39 | H391 | 109.4° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.4° |
| H422 | C42 | H421 | 109.4° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.4° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| C34 | OXT | HXT | 109.5° | 117.0° |
| C47 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | O36 | OXT | 179.8° | 179.7° |
| C34 | C35 | C37 | H352 | 120.7° | 119.9° |
| C34 | C35 | C37 | H351 | 120.7° | 120.0° |
| C34 | C35 | C37 | O38 | 98.6° | 180.0° |
| C34 | C35 | H352 | H351 | 117.8° | 120.0° |
| C34 | C35 | C37 | H372 | 141.2° | 60.0° |
| C34 | C35 | C37 | H371 | 21.6° | 60.0° |
| C35 | C34 | OXT | HXT | 179.9° | 180.0° |
| O36 | C34 | C35 | C37 | 55.2° | 0.0° |
| O36 | C34 | C35 | H352 | 175.9° | 120.0° |
| O36 | C34 | C35 | H351 | 65.5° | 120.0° |
| O36 | C34 | OXT | HXT | 0.0° | 0.3° |
| C35 | C37 | O38 | H372 | 120.2° | 120.0° |
| C35 | C37 | O38 | H371 | 120.2° | 120.0° |
| C35 | C37 | O38 | C39 | 107.3° | 180.0° |
| C37 | C35 | H352 | H351 | 117.8° | 120.0° |
| C35 | C37 | H372 | H371 | 119.5° | 120.0° |
| C37 | C35 | C34 | OXT | 124.7° | 179.7° |
| C37 | O38 | C39 | C40 | 149.0° | 180.0° |
| O38 | C37 | C35 | H352 | 22.1° | 60.1° |
| O38 | C37 | C35 | H351 | 140.7° | 60.0° |
| O38 | C37 | H372 | H371 | 119.5° | 120.0° |
| C37 | O38 | C39 | H392 | 92.0° | 60.0° |
| C37 | O38 | C39 | H391 | 30.1° | 60.0° |
| O38 | C39 | C40 | H392 | 118.9° | 120.0° |
| O38 | C39 | C40 | H391 | 118.9° | 120.0° |
| O38 | C39 | C40 | O41 | 116.1° | 65.0° |
| C39 | O38 | C37 | H372 | 132.5° | 60.0° |
| C39 | O38 | C37 | H371 | 12.8° | 60.0° |
| O38 | C39 | H392 | H391 | 123.2° | 120.0° |
| O38 | C39 | C40 | H402 | 3.6° | 175.0° |
| O38 | C39 | C40 | H401 | 124.2° | 55.0° |
| C39 | C40 | O41 | H402 | 119.7° | 120.0° |
| C39 | C40 | O41 | H401 | 119.7° | 120.0° |
| C39 | C40 | O41 | C42 | 98.8° | 180.0° |
| C40 | C39 | H392 | H391 | 123.2° | 120.0° |
| C39 | C40 | H402 | H401 | 120.9° | 120.0° |
| C40 | O41 | C42 | C43 | 167.1° | 180.0° |
| O41 | C40 | C39 | H392 | 125.0° | 175.0° |
| O41 | C40 | C39 | H391 | 2.9° | 55.0° |
| O41 | C40 | H402 | H401 | 120.9° | 120.0° |
| C40 | O41 | C42 | H422 | 47.7° | 60.1° |
| C40 | O41 | C42 | H421 | 73.5° | 60.0° |
| O41 | C42 | C43 | H422 | 119.4° | 120.0° |
| O41 | C42 | C43 | H421 | 119.4° | 119.9° |
| O41 | C42 | C43 | O44 | 100.0° | 65.0° |
| C42 | O41 | C40 | H402 | 20.9° | 60.0° |
| C42 | O41 | C40 | H401 | 141.5° | 60.0° |
| O41 | C42 | H422 | H421 | 121.8° | 120.1° |
| O41 | C42 | C43 | H431 | 19.5° | 175.0° |
| O41 | C42 | C43 | H432 | 140.4° | 55.1° |
| C42 | C43 | O44 | H431 | 119.5° | 120.0° |
| C42 | C43 | O44 | H432 | 119.5° | 120.0° |
| C42 | C43 | O44 | C45 | 75.9° | 180.0° |
| C43 | C42 | H422 | H421 | 121.8° | 120.0° |
| C42 | C43 | H431 | H432 | 121.3° | 120.0° |
| C43 | O44 | C45 | C46 | 90.9° | 180.0° |
| O44 | C43 | C42 | H422 | 140.6° | 175.0° |
| O44 | C43 | C42 | H421 | 19.4° | 54.9° |
| O44 | C43 | H431 | H432 | 121.4° | 120.1° |
| C43 | O44 | C45 | H452 | 29.4° | 60.0° |
| C43 | O44 | C45 | H451 | 148.9° | 60.0° |
| O44 | C45 | C46 | H452 | 120.3° | 120.0° |
| O44 | C45 | C46 | H451 | 120.3° | 120.0° |
| O44 | C45 | C46 | C47 | 43.6° | 180.0° |
| C45 | O44 | C43 | H431 | 43.7° | 60.0° |
| C45 | O44 | C43 | H432 | 164.6° | 60.0° |
| O44 | C45 | H452 | H451 | 119.2° | 120.0° |
| O44 | C45 | C46 | H461 | 77.2° | 60.0° |
| O44 | C45 | C46 | H462 | 164.4° | 60.0° |
| C45 | C46 | C47 | O58 | 20.9° | 0.0° |
| C45 | C46 | C47 | H461 | 120.8° | 120.0° |
| C45 | C46 | C47 | H462 | 120.7° | 120.0° |
| C46 | C45 | H452 | H451 | 119.2° | 120.0° |
| C45 | C46 | H461 | H462 | 117.6° | 120.0° |
| C45 | C46 | C47 | O1 | 160.1° | 179.9° |
| O58 | C47 | C46 | O1 | 179.0° | 179.9° |
| O58 | C47 | C46 | H461 | 99.8° | 120.0° |
| O58 | C47 | C46 | H462 | 141.7° | 120.0° |
| O58 | C47 | O1 | H1 | 0.0° | 0.1° |
| C47 | C46 | C45 | H452 | 163.9° | 60.0° |
| C47 | C46 | C45 | H451 | 76.7° | 60.0° |
| C47 | C46 | H461 | H462 | 117.7° | 120.0° |
| C46 | C47 | O1 | H1 | 179.0° | 180.0° |
| H352 | C35 | C37 | H372 | 98.0° | 180.0° |
| H352 | C35 | C37 | H371 | 142.3° | 60.0° |
| H352 | C35 | C34 | OXT | 4.0° | 60.3° |
| H351 | C35 | C37 | H372 | 20.5° | 60.0° |
| H351 | C35 | C37 | H371 | 99.1° | 180.0° |
| H351 | C35 | C34 | OXT | 114.6° | 59.7° |
| H392 | C39 | C40 | H402 | 115.3° | 55.0° |
| H392 | C39 | C40 | H401 | 5.3° | 65.0° |
| H391 | C39 | C40 | H402 | 122.6° | 65.0° |
| H391 | C39 | C40 | H401 | 116.8° | 175.0° |
| H422 | C42 | C43 | H431 | 99.9° | 55.0° |
| H422 | C42 | C43 | H432 | 21.0° | 64.9° |
| H421 | C42 | C43 | H431 | 138.9° | 65.0° |
| H421 | C42 | C43 | H432 | 100.2° | 175.0° |
| H452 | C45 | C46 | H461 | 43.1° | 60.0° |
| H452 | C45 | C46 | H462 | 75.4° | 180.0° |
| H451 | C45 | C46 | H461 | 162.6° | 180.0° |
| H451 | C45 | C46 | H462 | 44.1° | 60.0° |
| H461 | C46 | C47 | O1 | 79.1° | 60.0° |
| H462 | C46 | C47 | O1 | 39.4° | 59.9° |
