9EE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | CAF | sing | 1.35Å | 1.30Å | |
| CAF | OAI | doub | 1.21Å | 1.23Å | |
| CAF | CAE | sing | 1.51Å | 1.55Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| CAA | CAC | sing | 1.53Å | 1.58Å | |
| CAA | CAB | sing | 1.51Å | 1.56Å | |
| CAB | NAG | sing | 1.35Å | 1.32Å | |
| CAB | OAH | doub | 1.21Å | 1.22Å | |
| NAG | H1 | sing | 0.97Å | 1.00Å | |
| NAG | H2 | sing | 0.97Å | 1.00Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | 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 | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| NAJ | H11 | sing | 0.97Å | 1.00Å | |
| NAJ | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | CAF | OAI | 120.4° | 120.1° |
| NAJ | CAF | CAE | 117.0° | 120.0° |
| CAF | NAJ | H11 | 120.0° | 119.9° |
| CAF | NAJ | H12 | 120.0° | 120.0° |
| OAI | CAF | CAE | 122.3° | 120.0° |
| CAF | CAE | CAD | 117.6° | 109.5° |
| CAF | CAE | H9 | 107.4° | 109.4° |
| CAF | CAE | H10 | 107.4° | 109.4° |
| CAE | CAD | CAC | 104.9° | 109.5° |
| CAE | CAD | H7 | 110.6° | 109.5° |
| CAE | CAD | H8 | 110.6° | 109.5° |
| CAD | CAE | H9 | 107.4° | 109.5° |
| CAD | CAE | H10 | 107.4° | 109.5° |
| CAD | CAC | CAA | 109.2° | 109.5° |
| CAD | CAC | H5 | 109.5° | 109.5° |
| CAD | CAC | H6 | 109.5° | 109.5° |
| CAC | CAD | H7 | 110.6° | 109.5° |
| CAC | CAD | H8 | 110.6° | 109.5° |
| CAC | CAA | CAB | 109.3° | 109.5° |
| CAC | CAA | H3 | 109.5° | 109.5° |
| CAC | CAA | H4 | 109.5° | 109.5° |
| CAA | CAC | H5 | 109.5° | 109.5° |
| CAA | CAC | H6 | 109.6° | 109.5° |
| CAA | CAB | NAG | 116.8° | 120.0° |
| CAA | CAB | OAH | 122.5° | 120.0° |
| CAB | CAA | H3 | 109.5° | 109.4° |
| CAB | CAA | H4 | 109.5° | 109.4° |
| NAG | CAB | OAH | 120.7° | 120.1° |
| CAB | NAG | H1 | 120.0° | 119.9° |
| CAB | NAG | H2 | 120.0° | 120.0° |
| H1 | NAG | H2 | 120.0° | 120.0° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.5° | 109.4° |
| H7 | CAD | H8 | 109.5° | 109.4° |
| H9 | CAE | H10 | 109.5° | 109.5° |
| H11 | NAJ | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | CAF | OAI | CAE | 174.5° | 180.0° |
| NAJ | CAF | CAE | CAD | 8.5° | 180.0° |
| NAJ | CAF | CAE | H9 | 129.6° | 60.0° |
| NAJ | CAF | CAE | H10 | 112.7° | 60.0° |
| CAF | NAJ | H11 | H12 | 180.0° | 180.0° |
| OAI | CAF | CAE | CAD | 166.3° | 0.0° |
| OAI | CAF | CAE | H9 | 45.1° | 120.0° |
| OAI | CAF | CAE | H10 | 72.6° | 120.0° |
| OAI | CAF | NAJ | H11 | 0.0° | 0.0° |
| OAI | CAF | NAJ | H12 | 180.0° | 180.0° |
| CAF | CAE | CAD | H9 | 121.1° | 120.0° |
| CAF | CAE | CAD | H10 | 121.2° | 120.0° |
| CAF | CAE | CAD | CAC | 168.1° | 180.0° |
| CAF | CAE | CAD | H7 | 72.7° | 60.0° |
| CAF | CAE | CAD | H8 | 48.8° | 60.0° |
| CAF | CAE | H9 | H10 | 116.3° | 120.0° |
| CAE | CAF | NAJ | H11 | 174.8° | 180.0° |
| CAE | CAF | NAJ | H12 | 5.2° | 0.0° |
| CAE | CAD | CAC | H7 | 119.3° | 120.1° |
| CAE | CAD | CAC | H8 | 119.3° | 120.1° |
| CAE | CAD | CAC | CAA | 174.8° | 180.0° |
| CAE | CAD | CAC | H5 | 65.2° | 59.9° |
| CAE | CAD | CAC | H6 | 54.8° | 59.9° |
| CAE | CAD | H7 | H8 | 122.1° | 120.0° |
| CAD | CAE | H9 | H10 | 116.3° | 120.0° |
| CAD | CAC | CAA | H5 | 120.0° | 120.0° |
| CAD | CAC | CAA | H6 | 120.0° | 120.0° |
| CAD | CAC | CAA | CAB | 170.9° | 180.0° |
| CAD | CAC | CAA | H3 | 50.9° | 60.0° |
| CAD | CAC | CAA | H4 | 69.2° | 60.0° |
| CAD | CAC | H5 | H6 | 120.1° | 119.9° |
| CAC | CAD | H7 | H8 | 122.2° | 119.9° |
| CAC | CAD | CAE | H9 | 46.9° | 60.0° |
| CAC | CAD | CAE | H10 | 70.8° | 60.0° |
| CAC | CAA | CAB | H3 | 119.9° | 120.0° |
| CAC | CAA | CAB | H4 | 120.0° | 120.0° |
| CAC | CAA | CAB | NAG | 159.3° | 180.0° |
| CAC | CAA | CAB | OAH | 20.7° | 0.0° |
| CAC | CAA | H3 | H4 | 120.1° | 120.0° |
| CAA | CAC | H5 | H6 | 120.1° | 120.0° |
| CAA | CAC | CAD | H7 | 55.6° | 59.9° |
| CAA | CAC | CAD | H8 | 65.9° | 59.9° |
| CAA | CAB | NAG | OAH | 180.0° | 180.0° |
| CAA | CAB | NAG | H1 | 180.0° | 180.0° |
| CAA | CAB | NAG | H2 | 0.0° | 0.3° |
| CAB | CAA | H3 | H4 | 120.1° | 120.0° |
| CAB | CAA | CAC | H5 | 69.2° | 60.0° |
| CAB | CAA | CAC | H6 | 50.9° | 60.0° |
| CAB | NAG | H1 | H2 | 180.0° | 179.7° |
| NAG | CAB | CAA | H3 | 80.7° | 60.0° |
| NAG | CAB | CAA | H4 | 39.3° | 60.0° |
| OAH | CAB | NAG | H1 | 0.0° | 0.0° |
| OAH | CAB | NAG | H2 | 180.0° | 179.7° |
| OAH | CAB | CAA | H3 | 99.3° | 120.0° |
| OAH | CAB | CAA | H4 | 140.7° | 120.0° |
| H3 | CAA | CAC | H5 | 170.9° | 180.0° |
| H3 | CAA | CAC | H6 | 69.1° | 60.0° |
| H4 | CAA | CAC | H5 | 50.8° | 60.0° |
| H4 | CAA | CAC | H6 | 170.9° | 180.0° |
| H5 | CAC | CAD | H7 | 175.5° | 180.0° |
| H5 | CAC | CAD | H8 | 54.0° | 60.1° |
| H6 | CAC | CAD | H7 | 64.4° | 60.1° |
| H6 | CAC | CAD | H8 | 174.1° | 180.0° |
| H7 | CAD | CAE | H9 | 166.2° | 180.0° |
| H7 | CAD | CAE | H10 | 48.5° | 60.0° |
| H8 | CAD | CAE | H9 | 72.4° | 60.0° |
| H8 | CAD | CAE | H10 | 169.9° | 180.0° |
