BAE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | N | sing | 1.46Å | 1.49Å | |
| N | CAG | sing | 1.35Å | 1.35Å | |
| CAG | OAE | doub | 1.21Å | 1.24Å | |
| CAG | CAH | sing | 1.51Å | 1.55Å | |
| CAB | CAH | sing | 1.53Å | 1.52Å | |
| CAD | CAH | sing | 1.53Å | 1.50Å | |
| CAH | CAC | sing | 1.53Å | 1.53Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAD | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | N | CAG | 118.3° | 120.0° |
| CAA | N | H10 | 120.8° | 120.0° |
| N | CAA | H11 | 109.5° | 109.5° |
| N | CAA | H12 | 109.5° | 109.5° |
| N | CAA | H13 | 109.5° | 109.4° |
| N | CAG | OAE | 122.5° | 120.0° |
| N | CAG | CAH | 115.8° | 120.0° |
| CAG | N | H10 | 120.9° | 120.0° |
| OAE | CAG | CAH | 121.7° | 120.0° |
| CAG | CAH | CAB | 111.7° | 109.5° |
| CAG | CAH | CAD | 108.0° | 109.5° |
| CAG | CAH | CAC | 108.7° | 109.5° |
| CAB | CAH | CAD | 110.3° | 109.5° |
| CAB | CAH | CAC | 109.6° | 109.5° |
| CAH | CAB | H1 | 109.5° | 109.5° |
| CAH | CAB | H2 | 109.5° | 109.5° |
| CAH | CAB | H3 | 109.5° | 109.5° |
| CAD | CAH | CAC | 108.5° | 109.4° |
| CAH | CAD | H7 | 109.5° | 109.4° |
| CAH | CAD | H8 | 109.4° | 109.5° |
| CAH | CAD | H9 | 109.5° | 109.5° |
| CAH | CAC | H4 | 109.5° | 109.5° |
| CAH | CAC | H5 | 109.5° | 109.5° |
| CAH | CAC | H6 | 109.5° | 109.4° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H1 | CAB | H3 | 109.4° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H4 | CAC | H5 | 109.4° | 109.5° |
| H4 | CAC | H6 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 109.4° |
| H7 | CAD | H8 | 109.5° | 109.5° |
| H7 | CAD | H9 | 109.5° | 109.5° |
| H8 | CAD | H9 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H13 | 109.4° | 109.4° |
| H12 | CAA | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | N | CAG | H10 | 180.0° | 180.0° |
| CAA | N | CAG | OAE | 0.0° | 0.0° |
| CAA | N | CAG | CAH | 179.6° | 180.0° |
| N | CAA | H11 | H12 | 120.0° | 120.1° |
| N | CAA | H11 | H13 | 120.0° | 119.9° |
| N | CAA | H12 | H13 | 120.0° | 120.0° |
| N | CAG | OAE | CAH | 179.6° | 180.0° |
| N | CAG | CAH | CAB | 15.7° | 180.0° |
| N | CAG | CAH | CAD | 137.1° | 60.0° |
| N | CAG | CAH | CAC | 105.3° | 60.0° |
| CAG | N | CAA | H11 | 180.0° | 60.1° |
| CAG | N | CAA | H12 | 60.0° | 60.0° |
| CAG | N | CAA | H13 | 60.0° | 180.0° |
| OAE | CAG | CAH | CAB | 164.7° | 0.0° |
| OAE | CAG | CAH | CAD | 43.3° | 120.0° |
| OAE | CAG | CAH | CAC | 74.3° | 120.0° |
| OAE | CAG | N | H10 | 180.0° | 180.0° |
| CAG | CAH | CAB | CAD | 120.1° | 120.1° |
| CAG | CAH | CAB | CAC | 120.5° | 120.1° |
| CAG | CAH | CAD | CAC | 117.7° | 120.0° |
| CAG | CAH | CAB | H1 | 180.0° | 60.0° |
| CAG | CAH | CAB | H2 | 60.0° | 60.0° |
| CAG | CAH | CAB | H3 | 60.0° | 180.0° |
| CAG | CAH | CAC | H4 | 180.0° | 180.0° |
| CAG | CAH | CAC | H5 | 60.0° | 59.9° |
| CAG | CAH | CAC | H6 | 60.0° | 60.0° |
| CAG | CAH | CAD | H7 | 180.0° | 60.0° |
| CAG | CAH | CAD | H8 | 60.0° | 60.0° |
| CAG | CAH | CAD | H9 | 60.0° | 180.0° |
| CAH | CAG | N | H10 | 0.4° | 0.0° |
| CAB | CAH | CAD | CAC | 120.0° | 119.9° |
| CAH | CAB | H1 | H2 | 120.0° | 120.0° |
| CAH | CAB | H1 | H3 | 120.0° | 120.1° |
| CAH | CAB | H2 | H3 | 120.0° | 120.1° |
| CAB | CAH | CAC | H4 | 57.7° | 59.9° |
| CAB | CAH | CAC | H5 | 62.3° | 180.0° |
| CAB | CAH | CAC | H6 | 177.7° | 60.0° |
| CAB | CAH | CAD | H7 | 57.7° | 60.0° |
| CAB | CAH | CAD | H8 | 177.7° | 180.0° |
| CAB | CAH | CAD | H9 | 62.3° | 60.0° |
| CAD | CAH | CAB | H1 | 59.9° | 180.0° |
| CAD | CAH | CAB | H2 | 60.1° | 60.1° |
| CAD | CAH | CAB | H3 | 179.9° | 59.9° |
| CAD | CAH | CAC | H4 | 62.7° | 60.0° |
| CAD | CAH | CAC | H5 | 177.3° | 60.1° |
| CAD | CAH | CAC | H6 | 57.3° | 180.0° |
| CAH | CAD | H7 | H8 | 120.0° | 120.0° |
| CAH | CAD | H7 | H9 | 120.0° | 120.0° |
| CAH | CAD | H8 | H9 | 120.0° | 120.1° |
| CAC | CAH | CAB | H1 | 59.5° | 60.1° |
| CAC | CAH | CAB | H2 | 179.5° | 180.0° |
| CAC | CAH | CAB | H3 | 60.5° | 59.9° |
| CAH | CAC | H4 | H5 | 120.0° | 120.1° |
| CAH | CAC | H4 | H6 | 120.0° | 120.0° |
| CAH | CAC | H5 | H6 | 120.0° | 119.9° |
| CAC | CAH | CAD | H7 | 62.3° | 180.0° |
| CAC | CAH | CAD | H8 | 57.7° | 60.1° |
| CAC | CAH | CAD | H9 | 177.7° | 60.0° |
| H1 | CAB | H2 | H3 | 119.9° | 119.9° |
| H4 | CAC | H5 | H6 | 120.0° | 120.0° |
| H7 | CAD | H8 | H9 | 120.0° | 120.0° |
| H10 | N | CAA | H11 | 0.0° | 119.9° |
| H10 | N | CAA | H12 | 120.0° | 120.0° |
| H10 | N | CAA | H13 | 120.0° | 0.0° |
| H11 | CAA | H12 | H13 | 119.9° | 120.0° |
