9C8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAD | sing | 1.53Å | 1.54Å | |
| CAD | NAC | sing | 1.46Å | 1.47Å | |
| CAB | CAA | sing | 1.53Å | 1.51Å | |
| CAB | NAC | sing | 1.47Å | 1.48Å | |
| NAC | CAF | sing | 1.39Å | 1.37Å | |
| CAF | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAL | sing | 1.48Å | 1.41Å | |
| CAL | NAM | doub | 1.31Å | 1.34Å | |
| CAL | NAV | sing | 1.37Å | 1.41Å | |
| NAM | CAN | sing | 1.35Å | 1.35Å | |
| NAV | CAT | sing | 1.35Å | 1.38Å | |
| CAN | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAS | sing | 1.41Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.47Å | 1.41Å | |
| CAT | OAU | doub | 1.22Å | 1.24Å | |
| CAS | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAO | H15 | sing | 1.08Å | 1.08Å | |
| CAP | H16 | sing | 1.08Å | 1.08Å | |
| CAQ | H17 | sing | 1.08Å | 1.08Å | |
| CAR | H18 | sing | 1.08Å | 1.08Å | |
| NAV | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | NAC | 104.1° | 109.5° |
| CAE | CAD | H6 | 110.8° | 109.5° |
| CAE | CAD | H7 | 110.8° | 109.5° |
| CAD | CAE | H8 | 109.5° | 109.5° |
| CAD | CAE | H9 | 109.5° | 109.5° |
| CAD | CAE | H10 | 109.4° | 109.4° |
| CAD | NAC | CAB | 113.1° | 120.0° |
| CAD | NAC | CAF | 121.6° | 120.0° |
| NAC | CAD | H6 | 110.8° | 109.5° |
| NAC | CAD | H7 | 110.8° | 109.4° |
| CAA | CAB | NAC | 111.2° | 109.5° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.4° | 109.5° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAA | CAB | H4 | 109.1° | 109.4° |
| CAA | CAB | H5 | 109.0° | 109.5° |
| CAB | NAC | CAF | 124.2° | 120.0° |
| NAC | CAB | H4 | 109.0° | 109.5° |
| NAC | CAB | H5 | 109.0° | 109.4° |
| NAC | CAF | CAK | 121.7° | 120.0° |
| NAC | CAF | CAG | 121.4° | 119.9° |
| CAK | CAF | CAG | 116.9° | 120.1° |
| CAF | CAK | CAJ | 122.6° | 120.1° |
| CAF | CAK | H11 | 118.7° | 119.9° |
| CAF | CAG | CAH | 121.2° | 120.1° |
| CAF | CAG | H13 | 119.4° | 120.0° |
| CAK | CAJ | CAI | 120.1° | 119.9° |
| CAJ | CAK | H11 | 118.7° | 120.0° |
| CAK | CAJ | H12 | 120.0° | 120.0° |
| CAG | CAH | CAI | 121.3° | 119.9° |
| CAH | CAG | H13 | 119.4° | 120.0° |
| CAG | CAH | H14 | 119.3° | 120.0° |
| CAJ | CAI | CAH | 117.9° | 119.9° |
| CAJ | CAI | CAL | 120.9° | 120.1° |
| CAI | CAJ | H12 | 120.0° | 120.0° |
| CAH | CAI | CAL | 121.2° | 120.1° |
| CAI | CAH | H14 | 119.4° | 120.1° |
| CAI | CAL | NAM | 121.1° | 118.5° |
| CAI | CAL | NAV | 120.5° | 118.4° |
| NAM | CAL | NAV | 118.4° | 123.1° |
| CAL | NAM | CAN | 121.2° | 121.7° |
| CAL | NAV | CAT | 122.0° | 120.4° |
| CAL | NAV | H19 | 119.0° | 119.9° |
| NAM | CAN | CAO | 117.7° | 121.5° |
| NAM | CAN | CAS | 122.3° | 119.2° |
| NAV | CAT | CAS | 118.3° | 117.5° |
| NAV | CAT | OAU | 117.5° | 121.3° |
| CAT | NAV | H19 | 119.0° | 119.7° |
| CAO | CAN | CAS | 120.0° | 119.3° |
| CAN | CAO | CAP | 120.3° | 119.7° |
| CAN | CAO | H15 | 119.9° | 120.1° |
| CAN | CAS | CAT | 117.6° | 118.2° |
| CAN | CAS | CAR | 119.3° | 120.0° |
| CAO | CAP | CAQ | 121.0° | 120.8° |
| CAP | CAO | H15 | 119.9° | 120.2° |
| CAO | CAP | H16 | 119.5° | 119.6° |
| CAS | CAT | OAU | 124.2° | 121.3° |
| CAT | CAS | CAR | 123.0° | 121.8° |
| CAS | CAR | CAQ | 120.4° | 119.6° |
| CAS | CAR | H18 | 119.8° | 120.2° |
| CAP | CAQ | CAR | 119.0° | 120.6° |
| CAQ | CAP | H16 | 119.5° | 119.6° |
| CAP | CAQ | H17 | 120.5° | 119.7° |
| CAR | CAQ | H17 | 120.5° | 119.7° |
| CAQ | CAR | H18 | 119.8° | 120.3° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H6 | CAD | H7 | 109.5° | 109.5° |
| H8 | CAE | H9 | 109.4° | 109.6° |
| H8 | CAE | H10 | 109.5° | 109.4° |
| H9 | CAE | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | NAC | H6 | 119.2° | 120.0° |
| CAE | CAD | NAC | H7 | 119.1° | 120.0° |
| CAE | CAD | NAC | CAB | 82.9° | 90.0° |
| CAE | CAD | NAC | CAF | 85.5° | 90.0° |
| CAE | CAD | H6 | H7 | 122.5° | 120.1° |
| CAD | CAE | H8 | H9 | 120.0° | 120.1° |
| CAD | CAE | H8 | H10 | 120.0° | 119.9° |
| CAD | CAE | H9 | H10 | 120.0° | 119.9° |
| CAD | NAC | CAB | CAA | 117.7° | 90.0° |
| CAD | NAC | CAB | CAF | 168.0° | 180.0° |
| CAD | NAC | CAF | CAK | 27.4° | 0.0° |
| CAD | NAC | CAF | CAG | 151.4° | 179.7° |
| CAD | NAC | CAB | H4 | 2.6° | 150.0° |
| CAD | NAC | CAB | H5 | 122.0° | 30.0° |
| NAC | CAD | H6 | H7 | 122.5° | 119.9° |
| NAC | CAD | CAE | H8 | 180.0° | 60.1° |
| NAC | CAD | CAE | H9 | 60.0° | 60.1° |
| NAC | CAD | CAE | H10 | 60.0° | 180.0° |
| CAA | CAB | NAC | H4 | 120.3° | 120.0° |
| CAA | CAB | NAC | H5 | 120.3° | 119.9° |
| CAA | CAB | NAC | CAF | 74.3° | 90.0° |
| CAB | CAA | H1 | H2 | 120.0° | 120.1° |
| CAB | CAA | H1 | H3 | 120.0° | 120.0° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | H4 | H5 | 119.2° | 120.0° |
| CAB | NAC | CAF | CAK | 165.6° | 180.0° |
| CAB | NAC | CAF | CAG | 15.6° | 0.2° |
| NAC | CAB | CAA | H1 | 180.0° | 60.0° |
| NAC | CAB | CAA | H2 | 60.0° | 60.0° |
| NAC | CAB | CAA | H3 | 60.0° | 180.0° |
| NAC | CAB | H4 | H5 | 119.2° | 120.0° |
| CAB | NAC | CAD | H6 | 36.3° | 150.0° |
| CAB | NAC | CAD | H7 | 158.0° | 30.0° |
| NAC | CAF | CAK | CAG | 178.8° | 179.8° |
| NAC | CAF | CAK | CAJ | 178.7° | 180.0° |
| NAC | CAF | CAG | CAH | 178.0° | 180.0° |
| CAF | NAC | CAB | H4 | 165.4° | 30.0° |
| CAF | NAC | CAB | H5 | 46.0° | 150.1° |
| CAF | NAC | CAD | H6 | 155.4° | 30.0° |
| CAF | NAC | CAD | H7 | 33.7° | 150.0° |
| NAC | CAF | CAK | H11 | 1.3° | 0.0° |
| NAC | CAF | CAG | H13 | 1.9° | 0.0° |
| CAF | CAK | CAJ | H11 | 180.0° | 179.9° |
| CAK | CAF | CAG | CAH | 0.8° | 0.3° |
| CAF | CAK | CAJ | CAI | 1.0° | 0.0° |
| CAF | CAK | CAJ | H12 | 178.9° | 180.0° |
| CAK | CAF | CAG | H13 | 179.2° | 179.7° |
| CAG | CAF | CAK | CAJ | 0.2° | 0.3° |
| CAF | CAG | CAH | H13 | 180.0° | 180.0° |
| CAF | CAG | CAH | CAI | 0.3° | 0.0° |
| CAG | CAF | CAK | H11 | 179.9° | 179.8° |
| CAF | CAG | CAH | H14 | 179.7° | 180.0° |
| CAK | CAJ | CAI | H12 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 1.5° | 0.3° |
| CAK | CAJ | CAI | CAL | 179.1° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.9° | 0.3° |
| CAG | CAH | CAI | H14 | 180.0° | 180.0° |
| CAG | CAH | CAI | CAL | 178.5° | 180.0° |
| CAJ | CAI | CAH | CAL | 177.6° | 179.7° |
| CAJ | CAI | CAL | NAM | 17.9° | 0.0° |
| CAJ | CAI | CAL | NAV | 160.9° | 179.7° |
| CAI | CAJ | CAK | H11 | 178.9° | 180.0° |
| CAJ | CAI | CAH | H14 | 179.1° | 179.7° |
| CAH | CAI | CAL | NAM | 159.6° | 179.7° |
| CAH | CAI | CAL | NAV | 21.6° | 0.0° |
| CAH | CAI | CAJ | H12 | 178.4° | 179.7° |
| CAI | CAH | CAG | H13 | 179.8° | 180.0° |
| CAI | CAL | NAM | NAV | 178.8° | 179.7° |
| CAI | CAL | NAM | CAN | 179.0° | 180.0° |
| CAI | CAL | NAV | CAT | 179.3° | 179.8° |
| CAL | CAI | CAJ | H12 | 0.9° | 0.0° |
| CAL | CAI | CAH | H14 | 1.5° | 0.0° |
| CAI | CAL | NAV | H19 | 0.6° | 0.0° |
| NAM | CAL | NAV | CAT | 1.9° | 0.6° |
| CAL | NAM | CAN | CAO | 179.0° | 180.0° |
| CAL | NAM | CAN | CAS | 0.0° | 0.0° |
| NAM | CAL | NAV | H19 | 178.1° | 179.7° |
| NAV | CAL | NAM | CAN | 2.2° | 0.3° |
| CAL | NAV | CAT | H19 | 180.0° | 179.7° |
| CAL | NAV | CAT | CAS | 0.6° | 0.5° |
| CAL | NAV | CAT | OAU | 179.4° | 179.8° |
| NAM | CAN | CAO | CAS | 179.1° | 180.0° |
| NAM | CAN | CAO | CAP | 179.2° | 180.0° |
| NAM | CAN | CAS | CAT | 2.4° | 0.0° |
| NAM | CAN | CAS | CAR | 179.7° | 179.9° |
| NAM | CAN | CAO | H15 | 0.8° | 0.0° |
| NAV | CAT | CAS | CAN | 2.6° | 0.2° |
| NAV | CAT | CAS | OAU | 179.9° | 179.7° |
| NAV | CAT | CAS | CAR | 179.6° | 179.7° |
| CAN | CAO | CAP | H15 | 180.0° | 180.0° |
| CAO | CAN | CAS | CAT | 178.5° | 180.0° |
| CAO | CAN | CAS | CAR | 0.7° | 0.0° |
| CAN | CAO | CAP | CAQ | 0.5° | 0.0° |
| CAN | CAO | CAP | H16 | 179.5° | 180.0° |
| CAS | CAN | CAO | CAP | 0.1° | 0.0° |
| CAN | CAS | CAT | CAR | 177.7° | 179.9° |
| CAN | CAS | CAT | OAU | 177.3° | 180.0° |
| CAN | CAS | CAR | CAQ | 1.8° | 0.1° |
| CAS | CAN | CAO | H15 | 179.9° | 180.0° |
| CAN | CAS | CAR | H18 | 178.2° | 180.0° |
| CAO | CAP | CAQ | H16 | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 1.6° | 0.0° |
| CAO | CAP | CAQ | H17 | 178.4° | 180.0° |
| CAT | CAS | CAR | CAQ | 179.5° | 180.0° |
| CAT | CAS | CAR | H18 | 0.5° | 0.1° |
| CAS | CAT | NAV | H19 | 179.4° | 179.8° |
| OAU | CAT | CAS | CAR | 0.4° | 0.0° |
| OAU | CAT | NAV | H19 | 0.7° | 0.0° |
| CAS | CAR | CAQ | CAP | 2.2° | 0.0° |
| CAS | CAR | CAQ | H18 | 180.0° | 179.9° |
| CAS | CAR | CAQ | H17 | 177.8° | 180.0° |
| CAP | CAQ | CAR | H17 | 180.0° | 180.0° |
| CAQ | CAP | CAO | H15 | 179.5° | 180.0° |
| CAP | CAQ | CAR | H18 | 177.8° | 180.0° |
| CAR | CAQ | CAP | H16 | 178.4° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAB | H4 | 59.8° | 60.0° |
| H1 | CAA | CAB | H5 | 59.7° | 180.0° |
| H2 | CAA | CAB | H4 | 60.3° | 179.9° |
| H2 | CAA | CAB | H5 | 179.7° | 59.9° |
| H3 | CAA | CAB | H4 | 179.8° | 60.0° |
| H3 | CAA | CAB | H5 | 60.3° | 60.0° |
| H6 | CAD | CAE | H8 | 60.8° | 180.0° |
| H6 | CAD | CAE | H9 | 59.1° | 59.9° |
| H6 | CAD | CAE | H10 | 179.2° | 60.0° |
| H7 | CAD | CAE | H8 | 60.9° | 59.9° |
| H7 | CAD | CAE | H9 | 179.2° | 180.0° |
| H7 | CAD | CAE | H10 | 59.1° | 60.1° |
| H8 | CAE | H9 | H10 | 120.0° | 120.0° |
| H11 | CAK | CAJ | H12 | 1.1° | 0.1° |
| H13 | CAG | CAH | H14 | 0.2° | 0.0° |
| H15 | CAO | CAP | H16 | 0.5° | 0.1° |
| H16 | CAP | CAQ | H17 | 1.6° | 0.0° |
| H17 | CAQ | CAR | H18 | 2.2° | 0.0° |
