95C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.41Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAU | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.51Å | 1.51Å | |
| OAV | CAN | doub | 1.21Å | 1.23Å | |
| CAO | CAN | sing | 1.51Å | 1.53Å | |
| CAN | NAM | sing | 1.35Å | 1.43Å | |
| OAK | NAJ | doub | 1.22Å | 1.21Å | |
| NAM | CAF | sing | 1.39Å | 1.44Å | |
| CAE | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| NAJ | OAL | sing | 1.22Å | 1.20Å | |
| NAJ | CAD | sing | 1.48Å | 1.41Å | |
| CAF | CAA | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | CAG | sing | 1.48Å | 1.53Å | |
| CAA | CAB | doub | 1.40Å | 1.40Å | Aromatic |
| NAI | CAG | sing | 1.35Å | 1.42Å | |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | OAH | doub | 1.22Å | 1.21Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAU | H10 | sing | 1.08Å | 1.08Å | |
| NAI | H11 | sing | 0.97Å | 1.00Å | |
| NAI | H12 | sing | 0.97Å | 1.00Å | |
| NAM | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAS | CAT | 120.8° | 120.0° |
| CAS | CAR | CAQ | 119.8° | 120.0° |
| CAS | CAR | H7 | 120.1° | 120.0° |
| CAR | CAS | H8 | 119.6° | 120.0° |
| CAS | CAT | CAU | 120.0° | 120.0° |
| CAT | CAS | H8 | 119.6° | 120.0° |
| CAS | CAT | H9 | 120.0° | 120.0° |
| CAR | CAQ | CAP | 118.8° | 120.0° |
| CAR | CAQ | H6 | 120.6° | 120.0° |
| CAQ | CAR | H7 | 120.1° | 120.0° |
| CAT | CAU | CAP | 118.2° | 120.0° |
| CAU | CAT | H9 | 120.0° | 120.0° |
| CAT | CAU | H10 | 120.9° | 120.0° |
| CAQ | CAP | CAU | 122.4° | 120.0° |
| CAQ | CAP | CAO | 118.1° | 120.0° |
| CAP | CAQ | H6 | 120.6° | 120.0° |
| CAU | CAP | CAO | 119.6° | 120.0° |
| CAP | CAU | H10 | 120.9° | 120.0° |
| CAP | CAO | CAN | 108.5° | 109.5° |
| CAP | CAO | H4 | 109.7° | 109.5° |
| CAP | CAO | H5 | 109.7° | 109.4° |
| OAV | CAN | CAO | 121.5° | 120.1° |
| OAV | CAN | NAM | 121.3° | 120.0° |
| CAO | CAN | NAM | 117.2° | 120.0° |
| CAN | CAO | H4 | 109.7° | 109.5° |
| CAN | CAO | H5 | 109.7° | 109.5° |
| CAN | NAM | CAF | 124.0° | 120.0° |
| CAN | NAM | H13 | 118.0° | 120.0° |
| OAK | NAJ | OAL | 118.9° | 120.0° |
| OAK | NAJ | CAD | 120.1° | 120.0° |
| NAM | CAF | CAE | 122.3° | 120.1° |
| NAM | CAF | CAA | 118.5° | 120.2° |
| CAF | NAM | H13 | 118.0° | 120.0° |
| CAF | CAE | CAD | 118.9° | 120.0° |
| CAE | CAF | CAA | 119.2° | 119.7° |
| CAF | CAE | H3 | 120.5° | 120.0° |
| CAE | CAD | NAJ | 118.1° | 119.8° |
| CAE | CAD | CAC | 122.4° | 120.4° |
| CAD | CAE | H3 | 120.6° | 119.9° |
| OAL | NAJ | CAD | 120.9° | 120.0° |
| NAJ | CAD | CAC | 119.5° | 119.8° |
| CAF | CAA | CAG | 120.5° | 120.2° |
| CAF | CAA | CAB | 121.1° | 119.6° |
| CAD | CAC | CAB | 118.1° | 120.3° |
| CAD | CAC | H2 | 120.9° | 119.9° |
| CAG | CAA | CAB | 118.4° | 120.1° |
| CAA | CAG | NAI | 122.6° | 120.1° |
| CAA | CAG | OAH | 118.4° | 120.0° |
| CAA | CAB | CAC | 120.3° | 119.9° |
| CAA | CAB | H1 | 119.8° | 120.1° |
| NAI | CAG | OAH | 119.0° | 119.9° |
| CAG | NAI | H11 | 120.0° | 119.9° |
| CAG | NAI | H12 | 120.0° | 120.0° |
| CAC | CAB | H1 | 119.9° | 120.0° |
| CAB | CAC | H2 | 121.0° | 119.9° |
| H4 | CAO | H5 | 109.4° | 109.5° |
| H11 | NAI | H12 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAS | CAT | H8 | 180.0° | 179.9° |
| CAS | CAR | CAQ | H7 | 180.0° | 180.0° |
| CAR | CAS | CAT | CAU | 0.4° | 0.3° |
| CAS | CAR | CAQ | CAP | 0.9° | 0.1° |
| CAS | CAR | CAQ | H6 | 179.1° | 180.0° |
| CAR | CAS | CAT | H9 | 179.6° | 180.0° |
| CAT | CAS | CAR | CAQ | 0.8° | 0.0° |
| CAS | CAT | CAU | H9 | 180.0° | 179.7° |
| CAS | CAT | CAU | CAP | 0.1° | 0.6° |
| CAT | CAS | CAR | H7 | 179.2° | 179.9° |
| CAS | CAT | CAU | H10 | 179.9° | 180.0° |
| CAR | CAQ | CAP | H6 | 180.0° | 179.9° |
| CAR | CAQ | CAP | CAU | 0.6° | 0.2° |
| CAR | CAQ | CAP | CAO | 179.4° | 180.0° |
| CAQ | CAR | CAS | H8 | 179.2° | 179.9° |
| CAT | CAU | CAP | CAQ | 0.2° | 0.6° |
| CAT | CAU | CAP | H10 | 180.0° | 179.4° |
| CAT | CAU | CAP | CAO | 179.0° | 179.6° |
| CAU | CAT | CAS | H8 | 179.6° | 179.7° |
| CAQ | CAP | CAU | CAO | 178.8° | 179.8° |
| CAQ | CAP | CAO | CAN | 71.2° | 90.0° |
| CAQ | CAP | CAO | H4 | 168.9° | 30.1° |
| CAQ | CAP | CAO | H5 | 48.6° | 150.0° |
| CAP | CAQ | CAR | H7 | 179.1° | 180.0° |
| CAQ | CAP | CAU | H10 | 179.8° | 179.9° |
| CAU | CAP | CAO | CAN | 107.6° | 90.2° |
| CAU | CAP | CAO | H4 | 12.2° | 149.7° |
| CAU | CAP | CAO | H5 | 132.5° | 29.8° |
| CAU | CAP | CAQ | H6 | 179.4° | 179.7° |
| CAP | CAU | CAT | H9 | 179.9° | 179.7° |
| CAP | CAO | CAN | OAV | 49.1° | 0.0° |
| CAP | CAO | CAN | H4 | 119.9° | 120.0° |
| CAP | CAO | CAN | H5 | 119.9° | 120.0° |
| CAP | CAO | CAN | NAM | 129.2° | 180.0° |
| CAP | CAO | H4 | H5 | 120.5° | 120.0° |
| CAO | CAP | CAQ | H6 | 0.6° | 0.1° |
| CAO | CAP | CAU | H10 | 1.0° | 0.3° |
| OAV | CAN | CAO | NAM | 178.3° | 180.0° |
| OAV | CAN | NAM | CAF | 3.3° | 5.4° |
| OAV | CAN | CAO | H4 | 169.0° | 120.0° |
| OAV | CAN | CAO | H5 | 70.8° | 120.0° |
| OAV | CAN | NAM | H13 | 176.7° | 174.6° |
| CAO | CAN | NAM | CAF | 178.4° | 174.6° |
| CAN | CAO | H4 | H5 | 120.4° | 120.0° |
| CAO | CAN | NAM | H13 | 1.6° | 5.4° |
| CAN | NAM | CAF | H13 | 180.0° | 180.0° |
| CAN | NAM | CAF | CAE | 25.0° | 42.8° |
| CAN | NAM | CAF | CAA | 154.8° | 136.7° |
| NAM | CAN | CAO | H4 | 9.3° | 60.0° |
| NAM | CAN | CAO | H5 | 110.9° | 60.0° |
| OAK | NAJ | CAD | CAE | 15.2° | 0.0° |
| OAK | NAJ | OAL | CAD | 177.4° | 179.9° |
| OAK | NAJ | CAD | CAC | 163.1° | 180.0° |
| NAM | CAF | CAE | CAA | 179.8° | 179.5° |
| NAM | CAF | CAE | CAD | 179.9° | 180.0° |
| NAM | CAF | CAA | CAG | 1.3° | 0.2° |
| NAM | CAF | CAA | CAB | 179.9° | 180.0° |
| NAM | CAF | CAE | H3 | 0.1° | 0.5° |
| CAF | CAE | CAD | H3 | 180.0° | 179.5° |
| CAF | CAE | CAD | NAJ | 178.8° | 179.7° |
| CAF | CAE | CAD | CAC | 0.6° | 0.3° |
| CAE | CAF | CAA | CAG | 178.9° | 179.7° |
| CAE | CAF | CAA | CAB | 0.1° | 0.6° |
| CAE | CAF | NAM | H13 | 154.9° | 137.2° |
| CAE | CAD | NAJ | OAL | 167.5° | 179.9° |
| CAE | CAD | NAJ | CAC | 178.3° | 180.0° |
| CAD | CAE | CAF | CAA | 0.3° | 0.6° |
| CAE | CAD | CAC | CAB | 0.5° | 0.0° |
| CAE | CAD | CAC | H2 | 179.5° | 180.0° |
| OAL | NAJ | CAD | CAC | 14.2° | 0.0° |
| NAJ | CAD | CAC | CAB | 178.8° | 180.0° |
| NAJ | CAD | CAC | H2 | 1.2° | 0.0° |
| NAJ | CAD | CAE | H3 | 1.2° | 0.3° |
| CAF | CAA | CAG | CAB | 178.9° | 179.7° |
| CAF | CAA | CAG | NAI | 0.8° | 178.0° |
| CAF | CAA | CAB | CAC | 0.1° | 0.3° |
| CAF | CAA | CAG | OAH | 179.5° | 2.0° |
| CAF | CAA | CAB | H1 | 179.9° | 179.8° |
| CAA | CAF | CAE | H3 | 179.7° | 180.0° |
| CAA | CAF | NAM | H13 | 25.3° | 43.4° |
| CAD | CAC | CAB | CAA | 0.3° | 0.0° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAD | CAC | CAB | H1 | 179.7° | 179.9° |
| CAC | CAD | CAE | H3 | 179.4° | 179.8° |
| CAA | CAG | NAI | OAH | 178.7° | 180.0° |
| CAG | CAA | CAB | CAC | 179.0° | 180.0° |
| CAG | CAA | CAB | H1 | 1.0° | 0.1° |
| CAA | CAG | NAI | H11 | 178.7° | 0.0° |
| CAA | CAG | NAI | H12 | 1.3° | 180.0° |
| CAB | CAA | CAG | NAI | 179.6° | 1.7° |
| CAA | CAB | CAC | H1 | 180.0° | 179.9° |
| CAB | CAA | CAG | OAH | 1.6° | 178.3° |
| CAA | CAB | CAC | H2 | 179.7° | 180.0° |
| CAG | NAI | H11 | H12 | 180.0° | 179.9° |
| OAH | CAG | NAI | H11 | 0.0° | 180.0° |
| OAH | CAG | NAI | H12 | 180.0° | 0.0° |
| H1 | CAB | CAC | H2 | 0.3° | 0.1° |
| H6 | CAQ | CAR | H7 | 0.9° | 0.1° |
| H7 | CAR | CAS | H8 | 0.8° | 0.0° |
| H8 | CAS | CAT | H9 | 0.4° | 0.1° |
| H9 | CAT | CAU | H10 | 0.1° | 0.3° |
