51F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAD | doub | 1.35Å | 1.44Å | Aromatic |
| CAC | NAG | sing | 1.34Å | 1.37Å | Aromatic |
| CAD | NAI | sing | 1.37Å | 1.32Å | Aromatic |
| NAG | CAH | doub | 1.30Å | 1.40Å | Aromatic |
| NAI | CAF | sing | 1.46Å | 1.56Å | |
| NAI | CAH | sing | 1.35Å | 1.44Å | Aromatic |
| CAF | CAE | sing | 1.53Å | 1.48Å | |
| CAH | CAA | sing | 1.51Å | 1.45Å | |
| OAB | CAE | sing | 1.43Å | 1.38Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAC | NAG | 102.4° | 108.0° |
| CAC | CAD | NAI | 106.9° | 106.9° |
| CAC | CAD | H6 | 126.5° | 126.6° |
| CAD | CAC | H7 | 128.8° | 126.0° |
| CAC | NAG | CAH | 117.8° | 109.3° |
| NAG | CAC | H7 | 128.8° | 126.0° |
| CAD | NAI | CAF | 118.9° | 126.4° |
| CAD | NAI | CAH | 116.3° | 107.2° |
| NAI | CAD | H6 | 126.5° | 126.6° |
| NAG | CAH | NAI | 96.5° | 108.7° |
| NAG | CAH | CAA | 134.4° | 125.7° |
| CAF | NAI | CAH | 124.8° | 126.4° |
| NAI | CAF | CAE | 111.5° | 109.5° |
| NAI | CAF | H4 | 109.0° | 109.5° |
| NAI | CAF | H5 | 109.0° | 109.5° |
| NAI | CAH | CAA | 129.0° | 125.6° |
| CAF | CAE | OAB | 112.8° | 109.5° |
| CAF | CAE | H2 | 108.6° | 109.4° |
| CAF | CAE | H3 | 108.6° | 109.5° |
| CAE | CAF | H4 | 109.0° | 109.5° |
| CAE | CAF | H5 | 109.0° | 109.5° |
| CAH | CAA | H8 | 109.5° | 109.5° |
| CAH | CAA | H9 | 109.5° | 109.4° |
| CAH | CAA | H10 | 109.5° | 109.5° |
| CAE | OAB | H1 | 109.5° | 114.0° |
| OAB | CAE | H2 | 108.6° | 109.5° |
| OAB | CAE | H3 | 108.6° | 109.5° |
| H2 | CAE | H3 | 109.5° | 109.5° |
| H4 | CAF | H5 | 109.4° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAC | NAG | H7 | 180.0° | 180.0° |
| CAC | CAD | NAI | H6 | 180.0° | 179.9° |
| CAD | CAC | NAG | CAH | 0.0° | 0.2° |
| CAC | CAD | NAI | CAF | 179.9° | 179.9° |
| CAC | CAD | NAI | CAH | 0.1° | 0.2° |
| NAG | CAC | CAD | NAI | 0.1° | 0.0° |
| CAC | NAG | CAH | NAI | 0.0° | 0.4° |
| CAC | NAG | CAH | CAA | 178.1° | 179.8° |
| NAG | CAC | CAD | H6 | 179.9° | 179.9° |
| CAD | NAI | CAH | NAG | 0.1° | 0.3° |
| CAD | NAI | CAF | CAH | 180.0° | 179.7° |
| CAD | NAI | CAF | CAE | 96.1° | 94.7° |
| CAD | NAI | CAH | CAA | 178.2° | 179.8° |
| CAD | NAI | CAF | H4 | 24.2° | 145.3° |
| CAD | NAI | CAF | H5 | 143.6° | 25.3° |
| NAI | CAD | CAC | H7 | 179.9° | 180.0° |
| NAG | CAH | NAI | CAF | 179.9° | 179.9° |
| NAG | CAH | NAI | CAA | 178.3° | 179.8° |
| CAH | NAG | CAC | H7 | 180.0° | 179.8° |
| NAG | CAH | CAA | H8 | 0.0° | 89.8° |
| NAG | CAH | CAA | H9 | 120.0° | 30.2° |
| NAG | CAH | CAA | H10 | 120.0° | 150.2° |
| NAI | CAF | CAE | H4 | 120.3° | 120.0° |
| NAI | CAF | CAE | H5 | 120.3° | 120.0° |
| CAF | NAI | CAH | CAA | 1.8° | 0.1° |
| NAI | CAF | CAE | OAB | 55.7° | 180.0° |
| NAI | CAF | CAE | H2 | 176.2° | 60.0° |
| NAI | CAF | CAE | H3 | 64.8° | 60.0° |
| NAI | CAF | H4 | H5 | 119.1° | 120.0° |
| CAF | NAI | CAD | H6 | 0.1° | 0.0° |
| CAH | NAI | CAF | CAE | 83.9° | 85.0° |
| CAH | NAI | CAF | H4 | 155.7° | 35.0° |
| CAH | NAI | CAF | H5 | 36.4° | 155.0° |
| CAH | NAI | CAD | H6 | 179.9° | 179.7° |
| NAI | CAH | CAA | H8 | 177.6° | 90.0° |
| NAI | CAH | CAA | H9 | 62.4° | 150.0° |
| NAI | CAH | CAA | H10 | 57.6° | 30.1° |
| CAF | CAE | OAB | H2 | 120.5° | 119.9° |
| CAF | CAE | OAB | H3 | 120.5° | 120.0° |
| CAF | CAE | OAB | H1 | 180.0° | 180.0° |
| CAF | CAE | H2 | H3 | 118.5° | 120.0° |
| CAE | CAF | H4 | H5 | 119.1° | 120.0° |
| CAH | CAA | H8 | H9 | 120.0° | 120.0° |
| CAH | CAA | H8 | H10 | 120.0° | 120.0° |
| CAH | CAA | H9 | H10 | 120.0° | 120.0° |
| OAB | CAE | H2 | H3 | 118.5° | 120.0° |
| OAB | CAE | CAF | H4 | 64.6° | 60.0° |
| OAB | CAE | CAF | H5 | 176.0° | 60.0° |
| H1 | OAB | CAE | H2 | 59.5° | 60.0° |
| H1 | OAB | CAE | H3 | 59.5° | 60.0° |
| H2 | CAE | CAF | H4 | 55.9° | 180.0° |
| H2 | CAE | CAF | H5 | 63.5° | 60.0° |
| H3 | CAE | CAF | H4 | 174.9° | 60.0° |
| H3 | CAE | CAF | H5 | 55.5° | 180.0° |
| H6 | CAD | CAC | H7 | 0.1° | 0.1° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |






