CKH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.37Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAC | sing | 1.41Å | 1.39Å | Aromatic |
| CAN | NAO | sing | 1.38Å | 1.33Å | Aromatic |
| CAC | CAD | sing | 1.46Å | 1.39Å | Aromatic |
| NAO | CAP | sing | 1.37Å | 1.33Å | Aromatic |
| CAD | CAP | doub | 1.34Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.51Å | 1.53Å | |
| CAP | CAQ | sing | 1.51Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAF | NAG | sing | 1.47Å | 1.47Å | |
| NAG | CAH | sing | 1.35Å | 1.33Å | |
| OAR | CAH | doub | 1.22Å | 1.23Å | |
| CAH | CAI | sing | 1.48Å | 1.53Å | |
| FAV | CAS | sing | 1.35Å | 1.35Å | |
| CAI | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| NAO | H4 | sing | 0.97Å | 1.00Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.08Å | 1.08Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| NAG | H13 | sing | 0.97Å | 1.00Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | CAM | 120.1° | 120.7° |
| CAL | CAA | CAB | 119.8° | 120.5° |
| CAA | CAL | H6 | 119.9° | 119.7° |
| CAL | CAA | H7 | 120.1° | 119.7° |
| CAL | CAM | CAN | 120.2° | 119.7° |
| CAL | CAM | H5 | 119.9° | 120.2° |
| CAM | CAL | H6 | 120.0° | 119.6° |
| CAA | CAB | CAC | 119.9° | 119.8° |
| CAB | CAA | H7 | 120.1° | 119.8° |
| CAA | CAB | H8 | 120.0° | 120.1° |
| CAM | CAN | CAC | 119.5° | 119.3° |
| CAM | CAN | NAO | 131.6° | 133.5° |
| CAN | CAM | H5 | 119.9° | 120.1° |
| CAB | CAC | CAN | 120.4° | 119.9° |
| CAB | CAC | CAD | 132.6° | 134.0° |
| CAC | CAB | H8 | 120.0° | 120.1° |
| CAC | CAN | NAO | 108.8° | 107.2° |
| CAN | CAC | CAD | 107.0° | 106.0° |
| CAN | NAO | CAP | 108.6° | 109.9° |
| CAN | NAO | H4 | 125.7° | 125.1° |
| CAC | CAD | CAP | 105.3° | 107.1° |
| CAC | CAD | CAE | 126.9° | 126.5° |
| NAO | CAP | CAD | 110.2° | 109.9° |
| NAO | CAP | CAQ | 124.7° | 125.0° |
| CAP | NAO | H4 | 125.7° | 125.0° |
| CAP | CAD | CAE | 127.8° | 126.4° |
| CAD | CAP | CAQ | 125.0° | 125.1° |
| CAD | CAE | CAF | 111.6° | 109.5° |
| CAD | CAE | H9 | 109.0° | 109.5° |
| CAD | CAE | H10 | 108.9° | 109.5° |
| CAP | CAQ | H1 | 109.5° | 109.4° |
| CAP | CAQ | H2 | 109.5° | 109.4° |
| CAP | CAQ | H3 | 109.5° | 109.5° |
| CAE | CAF | NAG | 109.8° | 109.5° |
| CAF | CAE | H9 | 108.9° | 109.4° |
| CAF | CAE | H10 | 108.9° | 109.5° |
| CAE | CAF | H11 | 109.4° | 109.5° |
| CAE | CAF | H12 | 109.4° | 109.5° |
| CAF | NAG | CAH | 121.3° | 120.0° |
| NAG | CAF | H11 | 109.4° | 109.4° |
| NAG | CAF | H12 | 109.4° | 109.5° |
| CAF | NAG | H13 | 119.3° | 120.0° |
| NAG | CAH | OAR | 122.8° | 120.0° |
| NAG | CAH | CAI | 116.8° | 120.0° |
| CAH | NAG | H13 | 119.4° | 120.0° |
| OAR | CAH | CAI | 120.4° | 120.0° |
| CAH | CAI | CAS | 122.4° | 120.1° |
| CAH | CAI | CAJ | 118.4° | 120.2° |
| FAV | CAS | CAI | 121.3° | 120.1° |
| FAV | CAS | CAT | 118.5° | 120.1° |
| CAS | CAI | CAJ | 119.2° | 119.7° |
| CAI | CAS | CAT | 120.2° | 119.8° |
| CAI | CAJ | CAK | 120.7° | 119.9° |
| CAI | CAJ | H14 | 119.6° | 120.1° |
| CAS | CAT | CAU | 120.5° | 120.1° |
| CAS | CAT | H17 | 119.8° | 120.0° |
| CAJ | CAK | CAU | 119.9° | 120.2° |
| CAK | CAJ | H14 | 119.7° | 120.0° |
| CAJ | CAK | H15 | 120.1° | 119.9° |
| CAT | CAU | CAK | 119.5° | 120.3° |
| CAT | CAU | H16 | 120.3° | 119.9° |
| CAU | CAT | H17 | 119.8° | 119.9° |
| CAU | CAK | H15 | 120.0° | 119.9° |
| CAK | CAU | H16 | 120.2° | 119.8° |
| H1 | CAQ | H2 | 109.5° | 109.5° |
| H1 | CAQ | H3 | 109.4° | 109.5° |
| H2 | CAQ | H3 | 109.4° | 109.5° |
| H9 | CAE | H10 | 109.5° | 109.4° |
| H11 | CAF | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | CAM | H6 | 180.0° | 180.0° |
| CAL | CAA | CAB | H7 | 180.0° | 180.0° |
| CAA | CAL | CAM | CAN | 0.1° | 0.0° |
| CAL | CAA | CAB | CAC | 0.1° | 0.0° |
| CAA | CAL | CAM | H5 | 179.9° | 179.9° |
| CAL | CAA | CAB | H8 | 179.9° | 180.0° |
| CAM | CAL | CAA | CAB | 0.0° | 0.0° |
| CAL | CAM | CAN | H5 | 180.0° | 179.9° |
| CAL | CAM | CAN | CAC | 0.2° | 0.1° |
| CAL | CAM | CAN | NAO | 178.3° | 179.7° |
| CAM | CAL | CAA | H7 | 180.0° | 180.0° |
| CAA | CAB | CAC | H8 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAN | 0.0° | 0.0° |
| CAA | CAB | CAC | CAD | 178.5° | 180.0° |
| CAB | CAA | CAL | H6 | 179.9° | 180.0° |
| CAM | CAN | CAC | CAB | 0.1° | 0.1° |
| CAM | CAN | CAC | NAO | 178.8° | 179.8° |
| CAM | CAN | CAC | CAD | 179.0° | 180.0° |
| CAM | CAN | NAO | CAP | 178.4° | 179.8° |
| CAM | CAN | NAO | H4 | 1.6° | 0.2° |
| CAN | CAM | CAL | H6 | 179.9° | 180.0° |
| CAB | CAC | CAN | CAD | 178.9° | 180.0° |
| CAB | CAC | CAN | NAO | 178.7° | 179.8° |
| CAB | CAC | CAD | CAP | 178.2° | 179.6° |
| CAB | CAC | CAD | CAE | 4.6° | 0.0° |
| CAC | CAB | CAA | H7 | 179.9° | 180.0° |
| CAC | CAN | NAO | CAP | 0.2° | 0.0° |
| CAN | CAC | CAD | CAP | 0.5° | 0.3° |
| CAN | CAC | CAD | CAE | 176.7° | 180.0° |
| CAC | CAN | NAO | H4 | 179.8° | 180.0° |
| CAC | CAN | CAM | H5 | 179.8° | 180.0° |
| CAN | CAC | CAB | H8 | 180.0° | 180.0° |
| NAO | CAN | CAC | CAD | 0.2° | 0.2° |
| CAN | NAO | CAP | H4 | 180.0° | 179.9° |
| CAN | NAO | CAP | CAD | 0.6° | 0.3° |
| CAN | NAO | CAP | CAQ | 177.7° | 180.0° |
| NAO | CAN | CAM | H5 | 1.7° | 0.2° |
| CAC | CAD | CAP | NAO | 0.6° | 0.4° |
| CAC | CAD | CAP | CAE | 177.1° | 179.6° |
| CAC | CAD | CAP | CAQ | 177.6° | 179.9° |
| CAC | CAD | CAE | CAF | 87.1° | 90.0° |
| CAD | CAC | CAB | H8 | 1.5° | 0.0° |
| CAC | CAD | CAE | H9 | 152.6° | 150.0° |
| CAC | CAD | CAE | H10 | 33.2° | 30.0° |
| NAO | CAP | CAD | CAQ | 178.2° | 179.7° |
| NAO | CAP | CAD | CAE | 176.5° | 180.0° |
| NAO | CAP | CAQ | H1 | 91.0° | 90.1° |
| NAO | CAP | CAQ | H2 | 149.0° | 150.0° |
| NAO | CAP | CAQ | H3 | 29.0° | 30.0° |
| CAP | CAD | CAE | CAF | 96.4° | 90.4° |
| CAD | CAP | CAQ | H1 | 91.0° | 90.2° |
| CAD | CAP | CAQ | H2 | 29.0° | 29.7° |
| CAD | CAP | CAQ | H3 | 149.0° | 149.7° |
| CAD | CAP | NAO | H4 | 179.4° | 179.8° |
| CAP | CAD | CAE | H9 | 23.9° | 29.5° |
| CAP | CAD | CAE | H10 | 143.3° | 149.5° |
| CAE | CAD | CAP | CAQ | 5.3° | 0.3° |
| CAD | CAE | CAF | H9 | 120.3° | 120.0° |
| CAD | CAE | CAF | H10 | 120.3° | 120.0° |
| CAD | CAE | CAF | NAG | 67.3° | 180.0° |
| CAD | CAE | H9 | H10 | 119.0° | 120.0° |
| CAD | CAE | CAF | H11 | 172.6° | 60.0° |
| CAD | CAE | CAF | H12 | 52.8° | 60.0° |
| CAP | CAQ | H1 | H2 | 120.1° | 119.9° |
| CAP | CAQ | H1 | H3 | 120.0° | 120.0° |
| CAP | CAQ | H2 | H3 | 120.0° | 120.0° |
| CAQ | CAP | NAO | H4 | 2.3° | 0.1° |
| CAE | CAF | NAG | H11 | 120.1° | 120.0° |
| CAE | CAF | NAG | H12 | 120.0° | 120.0° |
| CAE | CAF | NAG | CAH | 96.6° | 180.0° |
| CAF | CAE | H9 | H10 | 119.0° | 120.0° |
| CAE | CAF | H11 | H12 | 119.8° | 120.0° |
| CAE | CAF | NAG | H13 | 83.4° | 0.0° |
| CAF | NAG | CAH | H13 | 180.0° | 180.0° |
| CAF | NAG | CAH | OAR | 0.6° | 0.0° |
| CAF | NAG | CAH | CAI | 180.0° | 180.0° |
| NAG | CAF | CAE | H9 | 53.0° | 60.0° |
| NAG | CAF | CAE | H10 | 172.4° | 59.9° |
| NAG | CAF | H11 | H12 | 119.8° | 120.0° |
| NAG | CAH | OAR | CAI | 179.4° | 180.0° |
| NAG | CAH | CAI | CAS | 11.3° | 180.0° |
| NAG | CAH | CAI | CAJ | 168.8° | 0.2° |
| CAH | NAG | CAF | H11 | 23.5° | 60.0° |
| CAH | NAG | CAF | H12 | 143.3° | 60.0° |
| OAR | CAH | CAI | CAS | 168.1° | 0.0° |
| OAR | CAH | CAI | CAJ | 11.8° | 179.8° |
| OAR | CAH | NAG | H13 | 179.4° | 180.0° |
| CAH | CAI | CAS | FAV | 0.7° | 0.0° |
| CAH | CAI | CAS | CAJ | 179.9° | 179.8° |
| CAH | CAI | CAS | CAT | 179.9° | 179.7° |
| CAH | CAI | CAJ | CAK | 179.9° | 180.0° |
| CAI | CAH | NAG | H13 | 0.0° | 0.0° |
| CAH | CAI | CAJ | H14 | 0.1° | 0.0° |
| FAV | CAS | CAI | CAT | 179.2° | 179.6° |
| FAV | CAS | CAI | CAJ | 179.2° | 179.8° |
| FAV | CAS | CAT | CAU | 179.2° | 179.7° |
| FAV | CAS | CAT | H17 | 0.8° | 0.1° |
| CAS | CAI | CAJ | CAK | 0.0° | 0.2° |
| CAI | CAS | CAT | CAU | 0.0° | 0.7° |
| CAS | CAI | CAJ | H14 | 180.0° | 179.7° |
| CAI | CAS | CAT | H17 | 179.9° | 179.7° |
| CAJ | CAI | CAS | CAT | 0.0° | 0.6° |
| CAI | CAJ | CAK | H14 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAU | 0.1° | 0.1° |
| CAI | CAJ | CAK | H15 | 179.9° | 180.0° |
| CAS | CAT | CAU | H17 | 180.0° | 179.6° |
| CAS | CAT | CAU | CAK | 0.0° | 0.4° |
| CAS | CAT | CAU | H16 | 180.0° | 179.7° |
| CAJ | CAK | CAU | CAT | 0.1° | 0.0° |
| CAJ | CAK | CAU | H15 | 180.0° | 180.0° |
| CAJ | CAK | CAU | H16 | 179.9° | 180.0° |
| CAT | CAU | CAK | H16 | 180.0° | 179.9° |
| CAT | CAU | CAK | H15 | 179.9° | 179.9° |
| CAU | CAK | CAJ | H14 | 179.9° | 180.0° |
| CAK | CAU | CAT | H17 | 180.0° | 180.0° |
| H1 | CAQ | H2 | H3 | 119.9° | 120.1° |
| H5 | CAM | CAL | H6 | 0.1° | 0.1° |
| H6 | CAL | CAA | H7 | 0.1° | 0.0° |
| H7 | CAA | CAB | H8 | 0.1° | 0.0° |
| H9 | CAE | CAF | H11 | 67.0° | 180.0° |
| H9 | CAE | CAF | H12 | 173.1° | 60.0° |
| H10 | CAE | CAF | H11 | 52.4° | 60.0° |
| H10 | CAE | CAF | H12 | 67.5° | 180.0° |
| H11 | CAF | NAG | H13 | 156.5° | 120.0° |
| H12 | CAF | NAG | H13 | 36.7° | 120.0° |
| H14 | CAJ | CAK | H15 | 0.1° | 0.0° |
| H15 | CAK | CAU | H16 | 0.1° | 0.0° |
| H16 | CAU | CAT | H17 | 0.0° | 0.1° |
