28H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OCD | CBX | doub | 1.21Å | 1.23Å | |
| CCC | CCA | sing | 1.53Å | 1.53Å | |
| CBX | CBY | sing | 1.51Å | 1.53Å | |
| CCB | CCA | sing | 1.53Å | 1.53Å | |
| CBY | CCE | sing | 1.53Å | 1.53Å | |
| CBY | CBZ | sing | 1.53Å | 1.53Å | |
| CCA | CBZ | sing | 1.53Å | 1.53Å | |
| CBZ | OCF | sing | 1.43Å | 1.43Å | |
| CCB | H1 | sing | 1.09Å | 1.10Å | |
| CCB | H2 | sing | 1.09Å | 1.10Å | |
| CCB | H3 | sing | 1.09Å | 1.10Å | |
| CCA | H4 | sing | 1.09Å | 1.10Å | |
| CCC | H5 | sing | 1.09Å | 1.10Å | |
| CCC | H6 | sing | 1.09Å | 1.10Å | |
| CCC | H7 | sing | 1.09Å | 1.10Å | |
| CBZ | H8 | sing | 1.09Å | 1.10Å | |
| OCF | H9 | sing | 0.97Å | 0.95Å | |
| CBY | H10 | sing | 1.09Å | 1.10Å | |
| CCE | H11 | sing | 1.09Å | 1.10Å | |
| CCE | H12 | sing | 1.09Å | 1.10Å | |
| CCE | H13 | sing | 1.09Å | 1.10Å | |
| CBX | OXT | sing | 1.34Å | 110.32Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OCD | CBX | CBY | 121.0° | 120.0° |
| OCD | CBX | OXT | 76.3° | 120.0° |
| CCC | CCA | CCB | 109.5° | 109.5° |
| CCC | CCA | CBZ | 109.5° | 109.4° |
| CCC | CCA | H4 | 109.4° | 109.5° |
| CCA | CCC | H5 | 109.5° | 109.5° |
| CCA | CCC | H6 | 109.4° | 109.5° |
| CCA | CCC | H7 | 109.5° | 109.5° |
| CBX | CBY | CCE | 109.5° | 109.5° |
| CBX | CBY | CBZ | 109.5° | 109.5° |
| CBX | CBY | H10 | 109.4° | 109.4° |
| CBY | CBX | OXT | 153.2° | 120.0° |
| CCB | CCA | CBZ | 109.5° | 109.5° |
| CCA | CCB | H1 | 109.5° | 109.5° |
| CCA | CCB | H2 | 109.5° | 109.5° |
| CCA | CCB | H3 | 109.5° | 109.5° |
| CCB | CCA | H4 | 109.4° | 109.5° |
| CCE | CBY | CBZ | 109.5° | 109.5° |
| CCE | CBY | H10 | 109.4° | 109.5° |
| CBY | CCE | H11 | 109.5° | 109.5° |
| CBY | CCE | H12 | 109.5° | 109.5° |
| CBY | CCE | H13 | 109.5° | 109.5° |
| CBY | CBZ | CCA | 109.5° | 109.4° |
| CBY | CBZ | OCF | 109.5° | 109.5° |
| CBY | CBZ | H8 | 109.0° | 109.4° |
| CBZ | CBY | H10 | 109.4° | 109.5° |
| CCA | CBZ | OCF | 109.5° | 109.5° |
| CBZ | CCA | H4 | 109.5° | 109.5° |
| CCA | CBZ | H8 | 109.0° | 109.5° |
| OCF | CBZ | H8 | 110.3° | 109.5° |
| CBZ | OCF | H9 | 109.5° | 114.0° |
| H1 | CCB | H2 | 109.5° | 109.5° |
| H1 | CCB | H3 | 109.5° | 109.5° |
| H2 | CCB | H3 | 109.4° | 109.5° |
| H5 | CCC | H6 | 109.5° | 109.5° |
| H5 | CCC | H7 | 109.4° | 109.5° |
| H6 | CCC | H7 | 109.5° | 109.5° |
| H11 | CCE | H12 | 109.5° | 109.4° |
| H11 | CCE | H13 | 109.5° | 109.5° |
| H12 | CCE | H13 | 109.5° | 109.4° |
| CBX | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OCD | CBX | CBY | OXT | 125.3° | 180.0° |
| OCD | CBX | CBY | CCE | 144.7° | 120.0° |
| OCD | CBX | CBY | CBZ | 95.1° | 0.0° |
| OCD | CBX | CBY | H10 | 24.8° | 120.0° |
| OCD | CBX | OXT | HXT | 90.0° | 0.0° |
| CCC | CCA | CCB | CBZ | 120.0° | 119.9° |
| CCC | CCA | CCB | H4 | 120.0° | 120.0° |
| CCC | CCA | CBZ | CBY | 60.6° | 175.0° |
| CCC | CCA | CBZ | H4 | 119.9° | 120.0° |
| CCC | CCA | CBZ | OCF | 59.5° | 65.0° |
| CCC | CCA | CCB | H1 | 180.0° | 180.0° |
| CCC | CCA | CCB | H2 | 60.0° | 60.0° |
| CCC | CCA | CCB | H3 | 60.0° | 60.0° |
| CCA | CCC | H5 | H6 | 120.0° | 120.0° |
| CCA | CCC | H5 | H7 | 120.0° | 120.0° |
| CCA | CCC | H6 | H7 | 120.0° | 120.0° |
| CCC | CCA | CBZ | H8 | 179.7° | 55.1° |
| CBX | CBY | CCE | CBZ | 120.1° | 120.0° |
| CBX | CBY | CCE | H10 | 119.9° | 119.9° |
| CBX | CBY | CBZ | H10 | 119.9° | 120.0° |
| CBX | CBY | CBZ | CCA | 91.7° | 180.0° |
| CBX | CBY | CBZ | OCF | 28.4° | 60.0° |
| CBX | CBY | CBZ | H8 | 149.2° | 60.0° |
| CBX | CBY | CCE | H11 | 180.0° | 60.0° |
| CBX | CBY | CCE | H12 | 60.0° | 59.9° |
| CBX | CBY | CCE | H13 | 60.0° | 179.9° |
| CBY | CBX | OXT | HXT | 90.0° | 180.0° |
| CCB | CCA | CBZ | CBY | 59.5° | 65.0° |
| CCB | CCA | CBZ | H4 | 120.0° | 120.0° |
| CCB | CCA | CBZ | OCF | 179.6° | 55.0° |
| CCA | CCB | H1 | H2 | 120.0° | 120.0° |
| CCA | CCB | H1 | H3 | 120.0° | 120.0° |
| CCA | CCB | H2 | H3 | 120.0° | 120.0° |
| CCB | CCA | CCC | H5 | 180.0° | 60.0° |
| CCB | CCA | CCC | H6 | 60.0° | 180.0° |
| CCB | CCA | CCC | H7 | 60.0° | 60.0° |
| CCB | CCA | CBZ | H8 | 59.6° | 175.0° |
| CCE | CBY | CBZ | H10 | 120.0° | 120.0° |
| CCE | CBY | CBZ | CCA | 148.2° | 60.0° |
| CCE | CBY | CBZ | OCF | 91.7° | 180.0° |
| CCE | CBY | CBZ | H8 | 29.1° | 60.0° |
| CBY | CCE | H11 | H12 | 120.0° | 120.0° |
| CBY | CCE | H11 | H13 | 120.0° | 120.1° |
| CBY | CCE | H12 | H13 | 120.0° | 120.0° |
| CCE | CBY | CBX | OXT | 90.0° | 59.9° |
| CBY | CBZ | CCA | OCF | 120.1° | 120.0° |
| CBY | CBZ | CCA | H8 | 119.1° | 119.9° |
| CBY | CBZ | OCF | H8 | 119.9° | 120.0° |
| CBY | CBZ | CCA | H4 | 179.5° | 55.0° |
| CBY | CBZ | OCF | H9 | 180.0° | 60.0° |
| CBZ | CBY | CCE | H11 | 59.9° | 60.0° |
| CBZ | CBY | CCE | H12 | 60.1° | 180.0° |
| CBZ | CBY | CCE | H13 | 179.9° | 60.0° |
| CBZ | CBY | CBX | OXT | 30.1° | 180.0° |
| CCA | CBZ | OCF | H8 | 119.9° | 120.1° |
| CBZ | CCA | CCB | H1 | 59.9° | 60.0° |
| CBZ | CCA | CCB | H2 | 60.1° | 60.0° |
| CBZ | CCA | CCB | H3 | 180.0° | 179.9° |
| CBZ | CCA | CCC | H5 | 59.9° | 60.0° |
| CBZ | CCA | CCC | H6 | 179.9° | 60.0° |
| CBZ | CCA | CCC | H7 | 60.1° | 180.0° |
| CCA | CBZ | OCF | H9 | 59.9° | 60.0° |
| CCA | CBZ | CBY | H10 | 28.2° | 60.0° |
| OCF | CBZ | CCA | H4 | 60.4° | 175.0° |
| OCF | CBZ | CBY | H10 | 148.3° | 60.0° |
| H1 | CCB | H2 | H3 | 120.0° | 120.0° |
| H1 | CCB | CCA | H4 | 60.0° | 60.0° |
| H2 | CCB | CCA | H4 | 179.9° | 180.0° |
| H3 | CCB | CCA | H4 | 60.0° | 60.0° |
| H4 | CCA | CCC | H5 | 60.1° | 180.0° |
| H4 | CCA | CCC | H6 | 60.0° | 60.0° |
| H4 | CCA | CCC | H7 | 180.0° | 60.0° |
| H4 | CCA | CBZ | H8 | 60.4° | 64.9° |
| H5 | CCC | H6 | H7 | 120.0° | 120.0° |
| H8 | CBZ | OCF | H9 | 60.0° | 179.9° |
| H8 | CBZ | CBY | H10 | 90.9° | 180.0° |
| H10 | CBY | CCE | H11 | 60.1° | 179.9° |
| H10 | CBY | CCE | H12 | 179.9° | 60.0° |
| H10 | CBY | CCE | H13 | 59.9° | 60.0° |
| H10 | CBY | CBX | OXT | 150.0° | 60.0° |
| H11 | CCE | H12 | H13 | 120.0° | 119.9° |
