64E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.39Å | 1.38Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.41Å | Aromatic |
| CAF | CAE | doub | 1.39Å | 1.41Å | Aromatic |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.42Å | 1.41Å | Aromatic |
| CAE | CAJ | sing | 1.47Å | 1.41Å | |
| CAD | CAG | sing | 1.47Å | 1.40Å | |
| OAK | CAJ | doub | 1.22Å | 1.24Å | |
| CAJ | OAI | sing | 1.35Å | 1.37Å | |
| CAG | CAL | sing | 1.39Å | 1.36Å | Aromatic |
| CAG | CAH | doub | 1.40Å | 1.35Å | Aromatic |
| CAO | CAL | sing | 1.51Å | 1.51Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| OAI | CAH | sing | 1.35Å | 1.41Å | |
| CAL | NAM | doub | 1.31Å | 1.33Å | Aromatic |
| CAH | NAN | sing | 1.34Å | 1.34Å | Aromatic |
| CAQ | CAP | sing | 1.53Å | 1.55Å | |
| NAM | NAN | sing | 1.40Å | 1.23Å | Aromatic |
| 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 | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.8° | 120.9° |
| CAA | CAB | CAC | 118.9° | 120.6° |
| CAA | CAB | H2 | 120.6° | 119.7° |
| CAB | CAA | H3 | 120.1° | 119.6° |
| CAA | CAF | CAE | 121.2° | 119.5° |
| CAF | CAA | H3 | 120.1° | 119.5° |
| CAA | CAF | H4 | 119.4° | 120.3° |
| CAB | CAC | CAD | 122.9° | 119.4° |
| CAB | CAC | H1 | 118.5° | 120.3° |
| CAC | CAB | H2 | 120.6° | 119.7° |
| CAF | CAE | CAD | 119.7° | 119.3° |
| CAF | CAE | CAJ | 120.0° | 122.6° |
| CAE | CAF | H4 | 119.4° | 120.2° |
| CAC | CAD | CAE | 117.5° | 120.4° |
| CAC | CAD | CAG | 123.1° | 124.4° |
| CAD | CAC | H1 | 118.6° | 120.3° |
| CAD | CAE | CAJ | 120.3° | 118.1° |
| CAE | CAD | CAG | 119.3° | 115.2° |
| CAE | CAJ | OAK | 124.0° | 120.0° |
| CAE | CAJ | OAI | 119.3° | 119.8° |
| CAD | CAG | CAL | 138.5° | 132.2° |
| CAD | CAG | CAH | 119.1° | 120.2° |
| OAK | CAJ | OAI | 116.6° | 120.1° |
| CAJ | OAI | CAH | 119.3° | 116.1° |
| CAL | CAG | CAH | 102.4° | 107.6° |
| CAG | CAL | CAO | 128.7° | 126.1° |
| CAG | CAL | NAM | 109.4° | 107.9° |
| CAG | CAH | OAI | 122.5° | 122.1° |
| CAG | CAH | NAN | 109.5° | 106.9° |
| CAL | CAO | CAP | 106.9° | 109.4° |
| CAO | CAL | NAM | 121.9° | 126.0° |
| CAL | CAO | H6 | 110.1° | 109.4° |
| CAL | CAO | H7 | 110.1° | 109.5° |
| CAO | CAP | CAQ | 110.2° | 109.5° |
| CAP | CAO | H6 | 110.1° | 109.5° |
| CAP | CAO | H7 | 110.1° | 109.5° |
| CAO | CAP | H8 | 109.3° | 109.5° |
| CAO | CAP | H9 | 109.3° | 109.5° |
| OAI | CAH | NAN | 127.9° | 131.1° |
| CAL | NAM | NAN | 110.1° | 109.2° |
| CAH | NAN | NAM | 108.6° | 108.4° |
| CAH | NAN | H5 | 125.7° | 125.8° |
| CAQ | CAP | H8 | 109.3° | 109.4° |
| CAQ | CAP | H9 | 109.3° | 109.4° |
| CAP | CAQ | H10 | 109.5° | 109.5° |
| CAP | CAQ | H11 | 109.5° | 109.4° |
| CAP | CAQ | H12 | 109.5° | 109.5° |
| NAM | NAN | H5 | 125.7° | 125.8° |
| H6 | CAO | H7 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H10 | CAQ | H11 | 109.5° | 109.5° |
| H10 | CAQ | H12 | 109.5° | 109.5° |
| H11 | CAQ | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | H3 | 180.0° | 180.0° |
| CAA | CAB | CAC | H2 | 180.0° | 179.9° |
| CAB | CAA | CAF | CAE | 0.6° | 0.1° |
| CAA | CAB | CAC | CAD | 1.3° | 0.0° |
| CAA | CAB | CAC | H1 | 178.7° | 180.0° |
| CAB | CAA | CAF | H4 | 179.4° | 180.0° |
| CAF | CAA | CAB | CAC | 0.6° | 0.2° |
| CAA | CAF | CAE | H4 | 180.0° | 180.0° |
| CAA | CAF | CAE | CAD | 1.0° | 0.6° |
| CAA | CAF | CAE | CAJ | 178.8° | 178.8° |
| CAF | CAA | CAB | H2 | 179.4° | 179.6° |
| CAB | CAC | CAD | H1 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.9° | 0.6° |
| CAB | CAC | CAD | CAG | 178.1° | 179.4° |
| CAC | CAB | CAA | H3 | 179.4° | 179.7° |
| CAF | CAE | CAD | CAC | 0.3° | 0.8° |
| CAF | CAE | CAD | CAJ | 179.8° | 179.4° |
| CAF | CAE | CAD | CAG | 177.0° | 179.1° |
| CAF | CAE | CAJ | OAK | 1.2° | 24.2° |
| CAF | CAE | CAJ | OAI | 177.5° | 155.9° |
| CAE | CAF | CAA | H3 | 179.4° | 180.0° |
| CAC | CAD | CAE | CAG | 177.3° | 179.9° |
| CAC | CAD | CAE | CAJ | 179.5° | 178.6° |
| CAC | CAD | CAG | CAL | 3.1° | 10.4° |
| CAC | CAD | CAG | CAH | 178.1° | 170.0° |
| CAD | CAC | CAB | H2 | 178.7° | 179.9° |
| CAD | CAE | CAJ | OAK | 178.6° | 155.2° |
| CAD | CAE | CAJ | OAI | 2.7° | 24.7° |
| CAE | CAD | CAG | CAL | 179.8° | 169.7° |
| CAE | CAD | CAG | CAH | 0.9° | 9.9° |
| CAE | CAD | CAC | H1 | 179.1° | 179.5° |
| CAD | CAE | CAF | H4 | 179.0° | 179.4° |
| CAJ | CAE | CAD | CAG | 3.2° | 1.5° |
| CAE | CAJ | OAK | OAI | 178.7° | 180.0° |
| CAE | CAJ | OAI | CAH | 0.1° | 35.5° |
| CAJ | CAE | CAF | H4 | 1.2° | 1.1° |
| CAD | CAG | CAL | CAH | 179.0° | 179.6° |
| CAD | CAG | CAL | CAO | 3.1° | 0.7° |
| CAD | CAG | CAH | OAI | 1.8° | 0.8° |
| CAD | CAG | CAL | NAM | 179.6° | 179.4° |
| CAD | CAG | CAH | NAN | 178.5° | 179.3° |
| CAG | CAD | CAC | H1 | 1.9° | 0.6° |
| OAK | CAJ | OAI | CAH | 178.9° | 144.4° |
| CAJ | OAI | CAH | CAG | 2.2° | 23.6° |
| CAJ | OAI | CAH | NAN | 178.3° | 156.5° |
| CAG | CAL | CAO | NAM | 177.0° | 179.9° |
| CAG | CAL | CAO | CAP | 178.0° | 87.4° |
| CAL | CAG | CAH | OAI | 177.5° | 179.5° |
| CAL | CAG | CAH | NAN | 0.8° | 0.3° |
| CAG | CAL | NAM | NAN | 1.9° | 0.1° |
| CAG | CAL | CAO | H6 | 62.4° | 32.6° |
| CAG | CAL | CAO | H7 | 58.5° | 152.6° |
| CAH | CAG | CAL | CAO | 177.9° | 179.7° |
| CAG | CAH | OAI | NAN | 176.1° | 179.8° |
| CAH | CAG | CAL | NAM | 0.6° | 0.3° |
| CAG | CAH | NAN | NAM | 2.0° | 0.3° |
| CAG | CAH | NAN | H5 | 178.0° | 179.6° |
| CAL | CAO | CAP | H6 | 119.6° | 119.9° |
| CAL | CAO | CAP | H7 | 119.6° | 120.0° |
| CAL | CAO | CAP | CAQ | 179.1° | 180.0° |
| CAO | CAL | NAM | NAN | 179.4° | 179.9° |
| CAL | CAO | H6 | H7 | 121.2° | 120.0° |
| CAL | CAO | CAP | H8 | 59.0° | 60.1° |
| CAL | CAO | CAP | H9 | 60.8° | 60.0° |
| CAP | CAO | CAL | NAM | 1.0° | 92.6° |
| CAO | CAP | CAQ | H8 | 120.1° | 120.0° |
| CAO | CAP | CAQ | H9 | 120.1° | 120.0° |
| CAP | CAO | H6 | H7 | 121.2° | 120.1° |
| CAO | CAP | H8 | H9 | 119.7° | 120.1° |
| CAO | CAP | CAQ | H10 | 180.0° | 60.0° |
| CAO | CAP | CAQ | H11 | 60.0° | 60.0° |
| CAO | CAP | CAQ | H12 | 60.0° | 180.0° |
| OAI | CAH | NAN | NAM | 178.4° | 179.6° |
| OAI | CAH | NAN | H5 | 1.6° | 0.5° |
| CAL | NAM | NAN | CAH | 2.3° | 0.1° |
| CAL | NAM | NAN | H5 | 177.7° | 179.8° |
| NAM | CAL | CAO | H6 | 120.6° | 147.5° |
| NAM | CAL | CAO | H7 | 118.6° | 27.5° |
| CAH | NAN | NAM | H5 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H6 | 61.3° | 60.0° |
| CAQ | CAP | CAO | H7 | 59.5° | 60.0° |
| CAQ | CAP | H8 | H9 | 119.7° | 119.9° |
| CAP | CAQ | H10 | H11 | 120.0° | 119.9° |
| CAP | CAQ | H10 | H12 | 120.0° | 120.0° |
| CAP | CAQ | H11 | H12 | 120.0° | 120.0° |
| H1 | CAC | CAB | H2 | 1.3° | 0.2° |
| H2 | CAB | CAA | H3 | 0.5° | 0.4° |
| H3 | CAA | CAF | H4 | 0.6° | 0.0° |
| H6 | CAO | CAP | H8 | 178.6° | 180.0° |
| H6 | CAO | CAP | H9 | 58.8° | 59.9° |
| H7 | CAO | CAP | H8 | 60.6° | 60.0° |
| H7 | CAO | CAP | H9 | 179.6° | 180.0° |
| H8 | CAP | CAQ | H10 | 59.9° | 180.0° |
| H8 | CAP | CAQ | H11 | 179.9° | 60.0° |
| H8 | CAP | CAQ | H12 | 60.1° | 60.0° |
| H9 | CAP | CAQ | H10 | 59.9° | 60.1° |
| H9 | CAP | CAQ | H11 | 60.1° | 180.0° |
| H9 | CAP | CAQ | H12 | 179.9° | 60.0° |
| H10 | CAQ | H11 | H12 | 120.0° | 120.1° |
