IOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA | CA | sing | 1.47Å | 1.33Å | |
| NA | HNA1 | sing | 1.01Å | 1.02Å | |
| NA | HNA2 | sing | 1.01Å | 1.02Å | |
| CA | NB | sing | 1.47Å | 1.34Å | |
| CA | NC | sing | 1.47Å | 1.33Å | |
| CA | HCA | sing | 1.09Å | 1.11Å | |
| NB | HNB1 | sing | 1.01Å | 1.02Å | |
| NB | HNB2 | sing | 1.01Å | 1.02Å | |
| NC | CB | sing | 1.47Å | 1.48Å | |
| NC | CC | sing | 1.47Å | 1.57Å | |
| CB | HCB1 | sing | 1.09Å | 1.11Å | |
| CB | HCB2 | sing | 1.09Å | 1.12Å | |
| CB | HCB3 | sing | 1.09Å | 1.12Å | |
| CC | CD | sing | 1.51Å | 1.52Å | |
| CC | HCC1 | sing | 1.09Å | 1.11Å | |
| CC | HCC2 | sing | 1.09Å | 1.12Å | |
| CD | O1 | doub | 1.21Å | 1.26Å | |
| CD | O2 | sing | 1.34Å | 1.25Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | NA | HNA1 | 116.3° | 106.7° |
| CA | NA | HNA2 | 109.8° | 106.7° |
| NA | CA | NB | 116.2° | 109.5° |
| NA | CA | NC | 122.1° | 109.5° |
| NA | CA | HCA | 118.0° | 109.4° |
| HNA1 | NA | HNA2 | 109.7° | 106.7° |
| NB | CA | NC | 121.7° | 109.5° |
| NB | CA | HCA | 125.7° | 109.5° |
| CA | NB | HNB1 | 116.3° | 106.7° |
| CA | NB | HNB2 | 109.8° | 106.7° |
| NC | CA | HCA | 4.5° | 109.5° |
| CA | NC | CB | 121.9° | 106.7° |
| CA | NC | CC | 120.8° | 106.7° |
| HNB1 | NB | HNB2 | 109.8° | 106.7° |
| CB | NC | CC | 117.3° | 106.7° |
| NC | CB | HCB1 | 121.9° | 109.5° |
| NC | CB | HCB2 | 107.8° | 109.4° |
| NC | CB | HCB3 | 107.8° | 109.5° |
| NC | CC | CD | 121.1° | 109.5° |
| NC | CC | HCC1 | 108.0° | 109.5° |
| NC | CC | HCC2 | 108.0° | 109.5° |
| HCB1 | CB | HCB2 | 107.8° | 109.5° |
| HCB1 | CB | HCB3 | 107.8° | 109.5° |
| HCB2 | CB | HCB3 | 102.1° | 109.5° |
| CD | CC | HCC1 | 108.1° | 109.5° |
| CD | CC | HCC2 | 108.1° | 109.5° |
| CC | CD | O1 | 119.0° | 120.0° |
| CC | CD | O2 | 117.2° | 120.0° |
| HCC1 | CC | HCC2 | 101.8° | 109.5° |
| O1 | CD | O2 | 123.8° | 120.0° |
| CD | O2 | HO2 | 117.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | NA | HNA1 | HNA2 | 125.3° | 113.8° |
| NA | CA | NB | NC | 179.9° | 120.0° |
| NA | CA | NB | HCA | 177.9° | 120.0° |
| NA | CA | NC | HCA | 23.8° | 119.9° |
| NA | CA | NB | HNB1 | 180.0° | 54.3° |
| NA | CA | NB | HNB2 | 54.7° | 168.1° |
| NA | CA | NC | CB | 0.2° | 54.5° |
| NA | CA | NC | CC | 178.7° | 59.4° |
| HNA1 | NA | CA | NB | 180.0° | 59.9° |
| HNA1 | NA | CA | NC | 0.1° | 180.0° |
| HNA1 | NA | CA | HCA | 1.9° | 60.1° |
| HNA2 | NA | CA | NB | 54.7° | 173.8° |
| HNA2 | NA | CA | NC | 125.4° | 66.2° |
| HNA2 | NA | CA | HCA | 123.3° | 53.8° |
| NB | CA | NC | HCA | 156.3° | 120.0° |
| CA | NB | HNB1 | HNB2 | 125.3° | 113.7° |
| NB | CA | NC | CB | 179.9° | 65.6° |
| NB | CA | NC | CC | 1.2° | 179.4° |
| NC | CA | NB | HNB1 | 0.1° | 65.7° |
| NC | CA | NB | HNB2 | 125.2° | 48.0° |
| CA | NC | CB | CC | 178.9° | 113.8° |
| CA | NC | CB | HCB1 | 180.0° | 70.6° |
| CA | NC | CB | HCB2 | 54.7° | 49.4° |
| CA | NC | CB | HCB3 | 54.7° | 169.4° |
| CA | NC | CC | CD | 108.0° | 169.7° |
| CA | NC | CC | HCC1 | 126.7° | 70.3° |
| CA | NC | CC | HCC2 | 17.3° | 49.7° |
| HCA | CA | NB | HNB1 | 2.1° | 174.3° |
| HCA | CA | NB | HNB2 | 127.4° | 72.0° |
| HCA | CA | NC | CB | 23.6° | 174.4° |
| HCA | CA | NC | CC | 157.5° | 60.6° |
| NC | CB | HCB1 | HCB2 | 125.3° | 120.0° |
| NC | CB | HCB1 | HCB3 | 125.2° | 120.0° |
| NC | CB | HCB2 | HCB3 | 113.3° | 120.0° |
| CB | NC | CC | CD | 70.9° | 76.5° |
| CB | NC | CC | HCC1 | 54.4° | 43.5° |
| CB | NC | CC | HCC2 | 163.8° | 163.5° |
| CC | NC | CB | HCB1 | 1.1° | 175.6° |
| CC | NC | CB | HCB2 | 124.2° | 64.4° |
| CC | NC | CB | HCB3 | 126.3° | 55.5° |
| NC | CC | CD | HCC1 | 125.3° | 120.0° |
| NC | CC | CD | HCC2 | 125.3° | 120.0° |
| NC | CC | HCC1 | HCC2 | 113.6° | 120.0° |
| NC | CC | CD | O1 | 5.9° | 0.0° |
| NC | CC | CD | O2 | 173.6° | 180.0° |
| HCB1 | CB | HCB2 | HCB3 | 113.4° | 120.0° |
| CD | CC | HCC1 | HCC2 | 113.7° | 120.0° |
| CC | CD | O1 | O2 | 179.5° | 180.0° |
| CC | CD | O2 | HO2 | 180.0° | 180.0° |
| HCC1 | CC | CD | O1 | 131.2° | 120.0° |
| HCC1 | CC | CD | O2 | 48.3° | 60.0° |
| HCC2 | CC | CD | O1 | 119.3° | 120.0° |
| HCC2 | CC | CD | O2 | 61.1° | 60.0° |
| O1 | CD | O2 | HO2 | 0.5° | 0.0° |
