9HH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAP | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.47Å | 1.45Å | Aromatic |
| CAO | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAM | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | NAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | NAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAV | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.48Å | 1.49Å | |
| CAA | SAB | sing | 1.81Å | 1.74Å | |
| OAX | SAB | doub | 1.42Å | 1.43Å | |
| SAB | NAC | sing | 1.66Å | 1.62Å | |
| SAB | OAW | doub | 1.42Å | 1.43Å | |
| CAI | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| NAC | CAD | sing | 1.39Å | 1.42Å | |
| CAH | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAC | H4 | sing | 0.97Å | 1.00Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| NAU | H12 | sing | 0.97Å | 1.00Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAR | H15 | sing | 1.08Å | 1.08Å | |
| CAS | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAQ | CAR | 121.1° | 120.2° |
| CAQ | CAP | CAO | 119.4° | 119.8° |
| CAQ | CAP | H13 | 120.3° | 120.1° |
| CAP | CAQ | H14 | 119.5° | 119.9° |
| CAQ | CAR | CAS | 120.7° | 120.6° |
| CAR | CAQ | H14 | 119.4° | 119.9° |
| CAQ | CAR | H15 | 119.7° | 119.7° |
| CAP | CAO | CAN | 134.6° | 133.5° |
| CAP | CAO | CAT | 118.9° | 120.0° |
| CAO | CAP | H13 | 120.3° | 120.1° |
| CAR | CAS | CAT | 118.3° | 120.0° |
| CAS | CAR | H15 | 119.6° | 119.7° |
| CAR | CAS | H16 | 120.8° | 120.0° |
| CAN | CAO | CAT | 106.4° | 106.5° |
| CAO | CAN | CAM | 135.1° | 133.4° |
| CAO | CAN | CAV | 106.2° | 106.5° |
| CAO | CAT | CAS | 121.6° | 119.3° |
| CAO | CAT | NAU | 109.2° | 108.4° |
| CAN | CAM | CAL | 120.2° | 120.1° |
| CAM | CAN | CAV | 118.6° | 120.1° |
| CAN | CAM | H11 | 119.9° | 119.9° |
| CAM | CAL | CAK | 120.9° | 120.4° |
| CAM | CAL | H10 | 119.6° | 119.8° |
| CAL | CAM | H11 | 119.9° | 120.0° |
| CAN | CAV | NAU | 109.5° | 108.4° |
| CAN | CAV | CAJ | 121.4° | 119.3° |
| CAS | CAT | NAU | 129.1° | 132.3° |
| CAT | CAS | H16 | 120.8° | 120.0° |
| CAT | NAU | CAV | 108.6° | 110.3° |
| CAT | NAU | H12 | 125.7° | 124.9° |
| CAL | CAK | CAJ | 120.2° | 120.4° |
| CAL | CAK | H9 | 119.9° | 119.8° |
| CAK | CAL | H10 | 119.5° | 119.8° |
| NAU | CAV | CAJ | 129.1° | 132.3° |
| CAV | NAU | H12 | 125.7° | 124.8° |
| CAV | CAJ | CAK | 118.6° | 119.8° |
| CAV | CAJ | CAI | 121.1° | 120.1° |
| CAK | CAJ | CAI | 120.2° | 120.1° |
| CAJ | CAK | H9 | 119.9° | 119.8° |
| CAJ | CAI | CAH | 118.6° | 120.1° |
| CAJ | CAI | CAD | 122.7° | 120.1° |
| CAA | SAB | OAX | 107.6° | 110.5° |
| CAA | SAB | NAC | 105.6° | 104.5° |
| CAA | SAB | OAW | 108.3° | 110.6° |
| SAB | CAA | H1 | 109.5° | 109.5° |
| SAB | CAA | H2 | 109.5° | 109.5° |
| SAB | CAA | H3 | 109.4° | 109.5° |
| OAX | SAB | NAC | 108.3° | 104.3° |
| OAX | SAB | OAW | 118.7° | 121.0° |
| NAC | SAB | OAW | 107.6° | 104.3° |
| SAB | NAC | CAD | 121.2° | 120.0° |
| SAB | NAC | H4 | 106.4° | 120.0° |
| CAH | CAI | CAD | 118.6° | 119.7° |
| CAI | CAH | CAG | 120.2° | 119.9° |
| CAI | CAH | H5 | 119.9° | 120.1° |
| CAI | CAD | NAC | 120.2° | 120.2° |
| CAI | CAD | CAE | 120.4° | 119.7° |
| NAC | CAD | CAE | 119.2° | 120.1° |
| CAD | NAC | H4 | 106.5° | 120.0° |
| CAH | CAG | CAF | 120.5° | 120.3° |
| CAG | CAH | H5 | 119.9° | 120.0° |
| CAH | CAG | H6 | 119.8° | 119.8° |
| CAD | CAE | CAF | 119.8° | 120.0° |
| CAD | CAE | H8 | 120.1° | 120.0° |
| CAG | CAF | CAE | 120.5° | 120.3° |
| CAF | CAG | H6 | 119.8° | 119.8° |
| CAG | CAF | H7 | 119.7° | 119.9° |
| CAE | CAF | H7 | 119.7° | 119.8° |
| CAF | CAE | H8 | 120.1° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAQ | CAR | H14 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H13 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAS | 1.1° | 0.1° |
| CAQ | CAP | CAO | CAN | 174.7° | 180.0° |
| CAQ | CAP | CAO | CAT | 1.4° | 0.0° |
| CAP | CAQ | CAR | H15 | 178.9° | 179.9° |
| CAR | CAQ | CAP | CAO | 0.5° | 0.0° |
| CAQ | CAR | CAS | H15 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 1.6° | 0.1° |
| CAR | CAQ | CAP | H13 | 179.5° | 179.9° |
| CAQ | CAR | CAS | H16 | 178.3° | 180.0° |
| CAP | CAO | CAN | CAT | 176.5° | 180.0° |
| CAP | CAO | CAN | CAM | 2.9° | 0.0° |
| CAP | CAO | CAN | CAV | 177.3° | 179.7° |
| CAP | CAO | CAT | CAS | 0.8° | 0.0° |
| CAP | CAO | CAT | NAU | 178.4° | 179.8° |
| CAO | CAP | CAQ | H14 | 179.5° | 180.0° |
| CAR | CAS | CAT | CAO | 0.7° | 0.0° |
| CAR | CAS | CAT | H16 | 180.0° | 180.0° |
| CAR | CAS | CAT | NAU | 176.4° | 179.7° |
| CAS | CAR | CAQ | H14 | 178.9° | 180.0° |
| CAO | CAN | CAM | CAV | 179.8° | 179.7° |
| CAO | CAN | CAM | CAL | 179.7° | 180.0° |
| CAN | CAO | CAT | CAS | 176.3° | 180.0° |
| CAN | CAO | CAT | NAU | 1.3° | 0.2° |
| CAO | CAN | CAV | NAU | 0.0° | 0.2° |
| CAO | CAN | CAV | CAJ | 179.5° | 179.6° |
| CAO | CAN | CAM | H11 | 0.3° | 0.3° |
| CAN | CAO | CAP | H13 | 5.3° | 0.1° |
| CAT | CAO | CAN | CAM | 179.4° | 180.0° |
| CAT | CAO | CAN | CAV | 0.8° | 0.2° |
| CAO | CAT | CAS | NAU | 177.1° | 179.7° |
| CAO | CAT | NAU | CAV | 1.3° | 0.1° |
| CAO | CAT | NAU | H12 | 178.7° | 179.9° |
| CAT | CAO | CAP | H13 | 178.6° | 180.0° |
| CAO | CAT | CAS | H16 | 179.3° | 180.0° |
| CAN | CAM | CAL | H11 | 180.0° | 179.7° |
| CAN | CAM | CAL | CAK | 0.7° | 0.0° |
| CAM | CAN | CAV | NAU | 179.9° | 180.0° |
| CAM | CAN | CAV | CAJ | 0.4° | 0.5° |
| CAN | CAM | CAL | H10 | 179.3° | 180.0° |
| CAL | CAM | CAN | CAV | 0.5° | 0.3° |
| CAM | CAL | CAK | H10 | 180.0° | 179.9° |
| CAM | CAL | CAK | CAJ | 0.1° | 0.0° |
| CAM | CAL | CAK | H9 | 179.9° | 180.0° |
| CAN | CAV | NAU | CAT | 0.8° | 0.1° |
| CAN | CAV | NAU | CAJ | 179.5° | 179.4° |
| CAN | CAV | CAJ | CAK | 1.0° | 0.5° |
| CAN | CAV | CAJ | CAI | 176.7° | 179.7° |
| CAV | CAN | CAM | H11 | 179.5° | 180.0° |
| CAN | CAV | NAU | H12 | 179.2° | 180.0° |
| CAS | CAT | NAU | CAV | 176.1° | 179.8° |
| CAS | CAT | NAU | H12 | 3.9° | 0.1° |
| CAT | CAS | CAR | H15 | 178.4° | 179.9° |
| CAT | NAU | CAV | H12 | 180.0° | 180.0° |
| CAT | NAU | CAV | CAJ | 179.7° | 179.4° |
| NAU | CAT | CAS | H16 | 3.6° | 0.3° |
| CAL | CAK | CAJ | CAV | 0.7° | 0.3° |
| CAL | CAK | CAJ | H9 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 177.0° | 180.0° |
| CAK | CAL | CAM | H11 | 179.3° | 179.7° |
| NAU | CAV | CAJ | CAK | 179.6° | 179.9° |
| NAU | CAV | CAJ | CAI | 2.7° | 0.4° |
| CAV | CAJ | CAK | CAI | 177.7° | 179.7° |
| CAV | CAJ | CAI | CAH | 53.9° | 115.3° |
| CAV | CAJ | CAI | CAD | 123.1° | 64.8° |
| CAV | CAJ | CAK | H9 | 179.3° | 179.7° |
| CAJ | CAV | NAU | H12 | 0.3° | 0.6° |
| CAK | CAJ | CAI | CAH | 123.8° | 65.0° |
| CAK | CAJ | CAI | CAD | 59.2° | 114.9° |
| CAJ | CAK | CAL | H10 | 179.9° | 180.0° |
| CAJ | CAI | CAH | CAD | 177.1° | 179.9° |
| CAJ | CAI | CAD | NAC | 3.1° | 0.1° |
| CAJ | CAI | CAH | CAG | 177.5° | 180.0° |
| CAJ | CAI | CAD | CAE | 177.4° | 179.7° |
| CAJ | CAI | CAH | H5 | 2.6° | 0.1° |
| CAI | CAJ | CAK | H9 | 3.0° | 0.0° |
| CAA | SAB | OAX | NAC | 113.7° | 111.7° |
| CAA | SAB | OAX | OAW | 123.3° | 131.5° |
| CAA | SAB | NAC | OAW | 115.5° | 116.1° |
| CAA | SAB | NAC | CAD | 142.2° | 59.7° |
| SAB | CAA | H1 | H2 | 120.0° | 120.1° |
| SAB | CAA | H1 | H3 | 120.0° | 120.0° |
| SAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | SAB | NAC | H4 | 96.1° | 120.2° |
| OAX | SAB | NAC | OAW | 129.5° | 127.8° |
| OAX | SAB | NAC | CAD | 27.2° | 56.4° |
| OAX | SAB | CAA | H1 | 180.0° | 51.6° |
| OAX | SAB | CAA | H2 | 60.0° | 171.6° |
| OAX | SAB | CAA | H3 | 60.0° | 68.4° |
| OAX | SAB | NAC | H4 | 148.8° | 123.7° |
| SAB | NAC | CAD | CAI | 89.1° | 146.7° |
| SAB | NAC | CAD | H4 | 121.6° | 179.9° |
| SAB | NAC | CAD | CAE | 85.3° | 33.0° |
| NAC | SAB | CAA | H1 | 64.5° | 60.0° |
| NAC | SAB | CAA | H2 | 175.5° | 60.0° |
| NAC | SAB | CAA | H3 | 55.5° | 180.0° |
| OAW | SAB | NAC | CAD | 102.3° | 175.8° |
| OAW | SAB | CAA | H1 | 50.5° | 171.6° |
| OAW | SAB | CAA | H2 | 69.5° | 51.6° |
| OAW | SAB | CAA | H3 | 170.5° | 68.4° |
| OAW | SAB | NAC | H4 | 19.3° | 4.1° |
| CAH | CAI | CAD | NAC | 173.8° | 180.0° |
| CAI | CAH | CAG | H5 | 180.0° | 179.9° |
| CAH | CAI | CAD | CAE | 0.5° | 0.3° |
| CAI | CAH | CAG | CAF | 0.4° | 0.1° |
| CAI | CAH | CAG | H6 | 179.6° | 180.0° |
| CAI | CAD | NAC | CAE | 174.4° | 179.7° |
| CAD | CAI | CAH | CAG | 0.4° | 0.1° |
| CAI | CAD | CAE | CAF | 0.3° | 0.6° |
| CAI | CAD | NAC | H4 | 149.2° | 33.2° |
| CAD | CAI | CAH | H5 | 179.6° | 180.0° |
| CAI | CAD | CAE | H8 | 179.7° | 179.7° |
| NAC | CAD | CAE | CAF | 174.6° | 179.7° |
| NAC | CAD | CAE | H8 | 5.3° | 0.0° |
| CAH | CAG | CAF | H6 | 180.0° | 179.9° |
| CAH | CAG | CAF | CAE | 1.2° | 0.3° |
| CAH | CAG | CAF | H7 | 178.8° | 179.9° |
| CAD | CAE | CAF | CAG | 1.1° | 0.6° |
| CAD | CAE | CAF | H8 | 180.0° | 179.7° |
| CAE | CAD | NAC | H4 | 36.4° | 147.1° |
| CAD | CAE | CAF | H7 | 178.9° | 179.7° |
| CAG | CAF | CAE | H7 | 180.0° | 179.7° |
| CAF | CAG | CAH | H5 | 179.5° | 180.0° |
| CAG | CAF | CAE | H8 | 178.9° | 179.7° |
| CAE | CAF | CAG | H6 | 178.8° | 179.7° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAH | CAG | H6 | 0.5° | 0.1° |
| H6 | CAG | CAF | H7 | 1.2° | 0.0° |
| H7 | CAF | CAE | H8 | 1.2° | 0.0° |
| H9 | CAK | CAL | H10 | 0.1° | 0.1° |
| H10 | CAL | CAM | H11 | 0.7° | 0.3° |
| H13 | CAP | CAQ | H14 | 0.5° | 0.0° |
| H14 | CAQ | CAR | H15 | 1.1° | 0.0° |
| H15 | CAR | CAS | H16 | 1.7° | 0.0° |
