64C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAJ | doub | 1.22Å | 1.22Å | |
| CAJ | OAI | sing | 1.36Å | 1.35Å | |
| CAJ | CAE | sing | 1.47Å | 1.44Å | |
| OAI | CAH | sing | 1.35Å | 1.34Å | |
| CAF | CAE | doub | 1.39Å | 1.42Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.42Å | 1.42Å | Aromatic |
| CAH | NAN | sing | 1.34Å | 1.30Å | Aromatic |
| CAH | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| NAN | NAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.41Å | Aromatic |
| CAD | CAG | sing | 1.47Å | 1.39Å | |
| CAD | CAC | doub | 1.38Å | 1.45Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| NAM | CAL | doub | 1.31Å | 1.34Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAO | sing | 1.51Å | 1.55Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| NAN | H5 | sing | 0.97Å | 1.00Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAO | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAJ | OAI | 115.1° | 120.1° |
| OAK | CAJ | CAE | 123.2° | 120.1° |
| OAI | CAJ | CAE | 121.7° | 119.9° |
| CAJ | OAI | CAH | 119.0° | 116.1° |
| CAJ | CAE | CAF | 121.3° | 122.7° |
| CAJ | CAE | CAD | 117.5° | 118.0° |
| OAI | CAH | NAN | 125.6° | 131.1° |
| OAI | CAH | CAG | 123.6° | 122.1° |
| CAE | CAF | CAA | 120.5° | 119.5° |
| CAF | CAE | CAD | 121.1° | 119.3° |
| CAE | CAF | H4 | 119.7° | 120.2° |
| CAF | CAA | CAB | 120.3° | 120.9° |
| CAF | CAA | H3 | 119.8° | 119.6° |
| CAA | CAF | H4 | 119.7° | 120.2° |
| CAE | CAD | CAG | 119.7° | 115.2° |
| CAE | CAD | CAC | 116.4° | 120.4° |
| NAN | CAH | CAG | 110.7° | 106.9° |
| CAH | NAN | NAM | 108.4° | 108.4° |
| CAH | NAN | H5 | 125.8° | 125.8° |
| CAH | CAG | CAD | 118.6° | 120.2° |
| CAH | CAG | CAL | 104.0° | 107.6° |
| NAN | NAM | CAL | 106.5° | 109.1° |
| NAM | NAN | H5 | 125.8° | 125.8° |
| CAA | CAB | CAC | 119.6° | 120.6° |
| CAA | CAB | H2 | 120.2° | 119.7° |
| CAB | CAA | H3 | 119.9° | 119.5° |
| CAG | CAD | CAC | 123.8° | 124.4° |
| CAD | CAG | CAL | 137.4° | 132.3° |
| CAD | CAC | CAB | 121.9° | 119.3° |
| CAD | CAC | H1 | 119.0° | 120.4° |
| CAG | CAL | NAM | 110.3° | 108.0° |
| CAG | CAL | CAO | 129.6° | 126.0° |
| NAM | CAL | CAO | 120.0° | 126.0° |
| CAB | CAC | H1 | 119.1° | 120.3° |
| CAC | CAB | H2 | 120.2° | 119.7° |
| CAL | CAO | CAP | 108.4° | 109.5° |
| CAL | CAO | H6 | 109.8° | 109.5° |
| CAL | CAO | H7 | 109.7° | 109.5° |
| CAP | CAO | H6 | 109.7° | 109.5° |
| CAP | CAO | H7 | 109.8° | 109.4° |
| CAO | CAP | H8 | 109.5° | 109.5° |
| CAO | CAP | H9 | 109.5° | 109.4° |
| CAO | CAP | H10 | 109.5° | 109.5° |
| H6 | CAO | H7 | 109.5° | 109.4° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H8 | CAP | H10 | 109.4° | 109.5° |
| H9 | CAP | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAJ | OAI | CAE | 177.7° | 179.9° |
| OAK | CAJ | OAI | CAH | 177.3° | 144.5° |
| OAK | CAJ | CAE | CAF | 4.6° | 24.1° |
| OAK | CAJ | CAE | CAD | 179.1° | 155.2° |
| OAI | CAJ | CAE | CAF | 177.9° | 155.8° |
| OAI | CAJ | CAE | CAD | 1.6° | 24.9° |
| CAJ | OAI | CAH | NAN | 178.4° | 156.6° |
| CAJ | OAI | CAH | CAG | 1.2° | 23.6° |
| CAE | CAJ | OAI | CAH | 0.3° | 35.6° |
| CAJ | CAE | CAF | CAD | 176.2° | 179.3° |
| CAJ | CAE | CAF | CAA | 179.6° | 178.8° |
| CAJ | CAE | CAD | CAG | 2.8° | 1.5° |
| CAJ | CAE | CAD | CAC | 180.0° | 178.6° |
| CAJ | CAE | CAF | H4 | 0.4° | 1.2° |
| OAI | CAH | NAN | CAG | 177.5° | 179.9° |
| OAI | CAH | NAN | NAM | 178.6° | 179.5° |
| OAI | CAH | CAG | CAD | 0.0° | 0.7° |
| OAI | CAH | CAG | CAL | 177.2° | 179.5° |
| OAI | CAH | NAN | H5 | 1.4° | 0.5° |
| CAE | CAF | CAA | H4 | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 1.5° | 0.0° |
| CAF | CAE | CAD | CAG | 179.1° | 179.1° |
| CAF | CAE | CAD | CAC | 3.7° | 0.8° |
| CAE | CAF | CAA | H3 | 178.5° | 180.0° |
| CAA | CAF | CAE | CAD | 3.5° | 0.5° |
| CAF | CAA | CAB | H3 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 0.0° | 0.3° |
| CAF | CAA | CAB | H2 | 180.0° | 179.7° |
| CAE | CAD | CAG | CAH | 2.0° | 9.9° |
| CAE | CAD | CAG | CAC | 177.0° | 179.9° |
| CAE | CAD | CAG | CAL | 178.1° | 169.8° |
| CAE | CAD | CAC | CAB | 2.2° | 0.5° |
| CAE | CAD | CAC | H1 | 177.7° | 179.5° |
| CAD | CAE | CAF | H4 | 176.5° | 179.4° |
| CAH | NAN | NAM | H5 | 180.0° | 180.0° |
| NAN | CAH | CAG | CAD | 177.6° | 179.4° |
| NAN | CAH | CAG | CAL | 0.3° | 0.4° |
| CAH | NAN | NAM | CAL | 2.1° | 0.2° |
| CAG | CAH | NAN | NAM | 1.1° | 0.3° |
| CAH | CAG | CAD | CAL | 176.1° | 179.7° |
| CAH | CAG | CAD | CAC | 179.0° | 170.0° |
| CAH | CAG | CAL | NAM | 1.7° | 0.3° |
| CAH | CAG | CAL | CAO | 177.6° | 179.8° |
| CAG | CAH | NAN | H5 | 178.9° | 179.6° |
| NAN | NAM | CAL | CAG | 2.3° | 0.1° |
| NAN | NAM | CAL | CAO | 178.7° | 180.0° |
| CAA | CAB | CAC | CAD | 0.4° | 0.0° |
| CAA | CAB | CAC | H2 | 180.0° | 180.0° |
| CAA | CAB | CAC | H1 | 179.5° | 180.0° |
| CAB | CAA | CAF | H4 | 178.5° | 180.0° |
| CAD | CAG | CAL | NAM | 178.1° | 179.4° |
| CAG | CAD | CAC | CAB | 179.3° | 179.4° |
| CAD | CAG | CAL | CAO | 5.9° | 0.5° |
| CAG | CAD | CAC | H1 | 0.6° | 0.6° |
| CAC | CAD | CAG | CAL | 4.9° | 10.3° |
| CAD | CAC | CAB | H1 | 180.0° | 180.0° |
| CAD | CAC | CAB | H2 | 179.6° | 179.9° |
| CAG | CAL | NAM | CAO | 176.4° | 180.0° |
| CAG | CAL | CAO | CAP | 172.5° | 87.5° |
| CAG | CAL | CAO | H6 | 52.6° | 32.5° |
| CAG | CAL | CAO | H7 | 67.7° | 152.6° |
| NAM | CAL | CAO | CAP | 3.1° | 92.6° |
| CAL | NAM | NAN | H5 | 177.9° | 179.8° |
| NAM | CAL | CAO | H6 | 123.0° | 147.4° |
| NAM | CAL | CAO | H7 | 116.7° | 27.4° |
| CAC | CAB | CAA | H3 | 180.0° | 179.7° |
| CAL | CAO | CAP | H6 | 119.9° | 120.1° |
| CAL | CAO | CAP | H7 | 119.8° | 120.0° |
| CAL | CAO | H6 | H7 | 120.5° | 120.1° |
| CAL | CAO | CAP | H8 | 180.0° | 59.9° |
| CAL | CAO | CAP | H9 | 60.0° | 60.0° |
| CAL | CAO | CAP | H10 | 60.0° | 180.0° |
| CAP | CAO | H6 | H7 | 120.5° | 119.9° |
| CAO | CAP | H8 | H9 | 120.0° | 119.9° |
| CAO | CAP | H8 | H10 | 120.0° | 120.1° |
| CAO | CAP | H9 | H10 | 120.0° | 120.0° |
| H1 | CAC | CAB | H2 | 0.5° | 0.1° |
| H2 | CAB | CAA | H3 | 0.0° | 0.4° |
| H3 | CAA | CAF | H4 | 1.5° | 0.0° |
| H6 | CAO | CAP | H8 | 60.1° | 180.0° |
| H6 | CAO | CAP | H9 | 179.9° | 60.0° |
| H6 | CAO | CAP | H10 | 59.9° | 59.9° |
| H7 | CAO | CAP | H8 | 60.2° | 60.1° |
| H7 | CAO | CAP | H9 | 59.8° | 180.0° |
| H7 | CAO | CAP | H10 | 179.8° | 60.0° |
| H8 | CAP | H9 | H10 | 120.0° | 120.0° |
