CJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAO | sing | 1.53Å | 1.55Å | |
| CAO | OAQ | sing | 1.43Å | 1.48Å | |
| OAQ | CAV | sing | 1.36Å | 1.36Å | |
| CAV | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAX | CAW | sing | 1.48Å | 1.40Å | Aromatic |
| CAW | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAW | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | NAP | sing | 1.40Å | 1.35Å | |
| NAP | CAS | sing | 1.35Å | 1.33Å | |
| CAS | OAD | doub | 1.22Å | 1.23Å | |
| CAS | CAT | sing | 1.47Å | 1.54Å | |
| CAT | CAF | sing | 1.43Å | 1.42Å | |
| CAT | CAR | doub | 1.36Å | 1.53Å | |
| CAF | NAC | trip | 1.14Å | 1.13Å | |
| CAR | CAB | sing | 1.51Å | 1.53Å | |
| CAR | OAE | sing | 1.34Å | 1.36Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAO | OAQ | 116.5° | 109.5° |
| CAO | CAA | HAA | 109.5° | 109.5° |
| CAO | CAA | HAAA | 109.4° | 109.5° |
| CAO | CAA | HAAB | 109.4° | 109.5° |
| CAA | CAO | HAO | 107.2° | 109.5° |
| CAA | CAO | HAOA | 105.6° | 109.5° |
| CAO | OAQ | CAV | 110.4° | 117.0° |
| OAQ | CAO | HAO | 107.2° | 109.5° |
| OAQ | CAO | HAOA | 105.6° | 109.4° |
| OAQ | CAV | CAN | 119.0° | 120.0° |
| OAQ | CAV | CAH | 119.3° | 120.0° |
| CAN | CAV | CAH | 121.7° | 120.0° |
| CAV | CAN | CAX | 118.7° | 119.8° |
| CAV | CAN | HAN | 120.6° | 120.1° |
| CAV | CAH | CAG | 120.0° | 120.2° |
| CAV | CAH | HAH | 120.0° | 119.9° |
| CAN | CAX | CAK | 118.4° | 119.8° |
| CAN | CAX | CAW | 125.5° | 120.1° |
| CAX | CAN | HAN | 120.6° | 120.1° |
| CAH | CAG | CAK | 117.9° | 120.2° |
| CAG | CAH | HAH | 120.0° | 119.9° |
| CAH | CAG | HAG | 121.0° | 119.8° |
| CAG | CAK | CAX | 123.0° | 120.0° |
| CAK | CAG | HAG | 121.0° | 120.0° |
| CAG | CAK | HAK | 118.5° | 120.0° |
| CAK | CAX | CAW | 115.3° | 120.1° |
| CAX | CAK | HAK | 118.5° | 120.0° |
| CAX | CAW | CAM | 120.5° | 120.1° |
| CAX | CAW | CAL | 120.1° | 120.0° |
| CAM | CAW | CAL | 118.8° | 119.9° |
| CAW | CAM | CAJ | 121.4° | 120.0° |
| CAW | CAM | HAM | 119.3° | 120.0° |
| CAW | CAL | CAI | 119.9° | 119.9° |
| CAW | CAL | HAL | 120.1° | 120.0° |
| CAM | CAJ | CAU | 119.3° | 120.0° |
| CAJ | CAM | HAM | 119.3° | 120.0° |
| CAM | CAJ | HAJ | 120.3° | 120.0° |
| CAJ | CAU | CAI | 119.1° | 120.1° |
| CAJ | CAU | NAP | 123.4° | 120.0° |
| CAU | CAJ | HAJ | 120.3° | 120.0° |
| CAL | CAI | CAU | 121.4° | 120.0° |
| CAI | CAL | HAL | 120.1° | 120.0° |
| CAL | CAI | HAI | 119.3° | 120.0° |
| CAI | CAU | NAP | 117.4° | 119.9° |
| CAU | CAI | HAI | 119.3° | 120.0° |
| CAU | NAP | CAS | 126.6° | 120.0° |
| CAU | NAP | HNAP | 116.7° | 120.0° |
| NAP | CAS | OAD | 123.4° | 120.0° |
| NAP | CAS | CAT | 116.0° | 120.0° |
| CAS | NAP | HNAP | 116.7° | 120.0° |
| OAD | CAS | CAT | 120.6° | 120.0° |
| CAS | CAT | CAF | 118.3° | 120.0° |
| CAS | CAT | CAR | 122.4° | 120.0° |
| CAF | CAT | CAR | 119.4° | 120.0° |
| CAT | CAF | NAC | 179.6° | 180.0° |
| CAT | CAR | CAB | 120.9° | 120.0° |
| CAT | CAR | OAE | 119.8° | 119.9° |
| CAB | CAR | OAE | 119.3° | 120.1° |
| CAR | CAB | HAB | 109.5° | 109.5° |
| CAR | CAB | HABA | 109.5° | 109.5° |
| CAR | CAB | HABB | 109.5° | 109.5° |
| CAR | OAE | HOAE | 109.5° | 116.9° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAO | CAO | HAOA | 115.1° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.4° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAO | OAQ | HAO | 120.0° | 120.0° |
| CAA | CAO | OAQ | HAOA | 116.8° | 120.0° |
| CAA | CAO | OAQ | CAV | 170.8° | 180.0° |
| CAO | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAO | HAO | HAOA | 117.1° | 120.0° |
| CAO | OAQ | CAV | CAN | 123.0° | 180.0° |
| CAO | OAQ | CAV | CAH | 56.3° | 0.2° |
| OAQ | CAO | CAA | HAA | 22.8° | 60.0° |
| OAQ | CAO | CAA | HAAA | 97.2° | 60.0° |
| OAQ | CAO | CAA | HAAB | 142.8° | 180.0° |
| OAQ | CAO | HAO | HAOA | 117.1° | 119.9° |
| OAQ | CAV | CAN | CAH | 179.3° | 179.8° |
| OAQ | CAV | CAN | CAX | 177.4° | 180.0° |
| OAQ | CAV | CAH | CAG | 179.5° | 180.0° |
| CAV | OAQ | CAO | HAO | 50.8° | 59.9° |
| CAV | OAQ | CAO | HAOA | 72.4° | 60.0° |
| OAQ | CAV | CAN | HAN | 2.6° | 0.0° |
| OAQ | CAV | CAH | HAH | 0.5° | 0.0° |
| CAV | CAN | CAX | HAN | 180.0° | 180.0° |
| CAN | CAV | CAH | CAG | 0.2° | 0.2° |
| CAV | CAN | CAX | CAK | 5.5° | 0.0° |
| CAV | CAN | CAX | CAW | 174.9° | 180.0° |
| CAN | CAV | CAH | HAH | 179.8° | 179.8° |
| CAH | CAV | CAN | CAX | 3.3° | 0.2° |
| CAV | CAH | CAG | HAH | 180.0° | 180.0° |
| CAV | CAH | CAG | CAK | 0.4° | 0.0° |
| CAH | CAV | CAN | HAN | 176.7° | 179.7° |
| CAV | CAH | CAG | HAG | 179.6° | 180.0° |
| CAN | CAX | CAK | CAG | 5.1° | 0.1° |
| CAN | CAX | CAK | CAW | 170.4° | 180.0° |
| CAN | CAX | CAW | CAM | 30.2° | 180.0° |
| CAN | CAX | CAW | CAL | 158.4° | 0.3° |
| CAN | CAX | CAK | HAK | 174.9° | 180.0° |
| CAH | CAG | CAK | HAG | 180.0° | 179.9° |
| CAH | CAG | CAK | CAX | 2.1° | 0.1° |
| CAH | CAG | CAK | HAK | 177.9° | 180.0° |
| CAG | CAK | CAX | HAK | 180.0° | 179.8° |
| CAG | CAK | CAX | CAW | 175.5° | 179.8° |
| CAK | CAG | CAH | HAH | 179.6° | 180.0° |
| CAK | CAX | CAW | CAM | 139.4° | 0.1° |
| CAK | CAX | CAW | CAL | 32.0° | 179.8° |
| CAK | CAX | CAN | HAN | 174.5° | 179.9° |
| CAX | CAK | CAG | HAG | 177.9° | 179.8° |
| CAX | CAW | CAM | CAL | 171.5° | 179.7° |
| CAX | CAW | CAM | CAJ | 174.9° | 180.0° |
| CAX | CAW | CAL | CAI | 174.1° | 180.0° |
| CAW | CAX | CAN | HAN | 5.2° | 0.0° |
| CAW | CAX | CAK | HAK | 4.5° | 0.0° |
| CAX | CAW | CAM | HAM | 5.1° | 0.0° |
| CAX | CAW | CAL | HAL | 5.9° | 0.0° |
| CAW | CAM | CAJ | HAM | 180.0° | 180.0° |
| CAW | CAM | CAJ | CAU | 2.4° | 0.0° |
| CAM | CAW | CAL | CAI | 2.6° | 0.2° |
| CAW | CAM | CAJ | HAJ | 177.6° | 179.9° |
| CAM | CAW | CAL | HAL | 177.4° | 179.7° |
| CAL | CAW | CAM | CAJ | 3.4° | 0.3° |
| CAW | CAL | CAI | HAL | 180.0° | 179.9° |
| CAW | CAL | CAI | CAU | 0.9° | 0.1° |
| CAL | CAW | CAM | HAM | 176.6° | 179.8° |
| CAW | CAL | CAI | HAI | 179.1° | 180.0° |
| CAM | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAM | CAJ | CAU | CAI | 0.6° | 0.3° |
| CAM | CAJ | CAU | NAP | 177.3° | 180.0° |
| CAJ | CAU | CAI | CAL | 0.1° | 0.4° |
| CAJ | CAU | CAI | NAP | 178.0° | 179.7° |
| CAJ | CAU | NAP | CAS | 29.5° | 146.7° |
| CAU | CAJ | CAM | HAM | 177.6° | 179.9° |
| CAJ | CAU | CAI | HAI | 179.9° | 179.7° |
| CAJ | CAU | NAP | HNAP | 150.5° | 33.3° |
| CAL | CAI | CAU | HAI | 180.0° | 179.9° |
| CAL | CAI | CAU | NAP | 178.1° | 180.0° |
| CAI | CAU | NAP | CAS | 152.6° | 33.6° |
| CAI | CAU | CAJ | HAJ | 179.4° | 179.8° |
| CAU | CAI | CAL | HAL | 179.1° | 180.0° |
| CAI | CAU | NAP | HNAP | 27.4° | 146.3° |
| CAU | NAP | CAS | HNAP | 180.0° | 180.0° |
| CAU | NAP | CAS | OAD | 3.7° | 5.2° |
| CAU | NAP | CAS | CAT | 179.1° | 174.7° |
| NAP | CAU | CAJ | HAJ | 2.7° | 0.1° |
| NAP | CAU | CAI | HAI | 1.9° | 0.0° |
| NAP | CAS | OAD | CAT | 177.1° | 180.0° |
| NAP | CAS | CAT | CAF | 177.9° | 0.0° |
| NAP | CAS | CAT | CAR | 1.9° | 180.0° |
| OAD | CAS | CAT | CAF | 0.6° | 180.0° |
| OAD | CAS | CAT | CAR | 179.2° | 0.0° |
| OAD | CAS | NAP | HNAP | 176.3° | 174.8° |
| CAS | CAT | CAF | CAR | 179.8° | 180.0° |
| CAS | CAT | CAF | NAC | 171.8° | 128.5° |
| CAS | CAT | CAR | CAB | 179.5° | 180.0° |
| CAS | CAT | CAR | OAE | 0.1° | 0.0° |
| CAT | CAS | NAP | HNAP | 0.9° | 5.2° |
| CAF | CAT | CAR | CAB | 0.7° | 0.0° |
| CAF | CAT | CAR | OAE | 179.8° | 180.0° |
| CAR | CAT | CAF | NAC | 8.0° | 51.5° |
| CAT | CAR | CAB | OAE | 179.5° | 180.0° |
| CAT | CAR | CAB | HAB | 15.1° | 90.0° |
| CAT | CAR | CAB | HABA | 135.1° | 150.0° |
| CAT | CAR | CAB | HABB | 104.9° | 30.0° |
| CAT | CAR | OAE | HOAE | 50.7° | 180.0° |
| CAR | CAB | HAB | HABA | 120.0° | 120.0° |
| CAR | CAB | HAB | HABB | 120.0° | 120.0° |
| CAR | CAB | HABA | HABB | 120.0° | 120.1° |
| CAB | CAR | OAE | HOAE | 128.8° | 0.0° |
| OAE | CAR | CAB | HAB | 164.5° | 90.0° |
| OAE | CAR | CAB | HABA | 44.4° | 30.0° |
| OAE | CAR | CAB | HABB | 75.6° | 150.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| HAA | CAA | CAO | HAO | 97.2° | 60.0° |
| HAA | CAA | CAO | HAOA | 139.5° | 180.0° |
| HAAA | CAA | CAO | HAO | 142.7° | 180.0° |
| HAAA | CAA | CAO | HAOA | 19.5° | 60.0° |
| HAAB | CAA | CAO | HAO | 22.8° | 60.0° |
| HAAB | CAA | CAO | HAOA | 100.4° | 60.1° |
| HAH | CAH | CAG | HAG | 0.4° | 0.0° |
| HAG | CAG | CAK | HAK | 2.1° | 0.0° |
| HAM | CAM | CAJ | HAJ | 2.4° | 0.1° |
| HAL | CAL | CAI | HAI | 0.9° | 0.1° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
