19C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | doub | 1.22Å | 1.23Å | |
| OAB | CAN | sing | 1.36Å | 1.37Å | |
| OAC | CAP | sing | 1.36Å | 1.37Å | |
| FAD | CAO | sing | 1.35Å | 1.38Å | |
| CLA | CAQ | sing | 1.74Å | 1.69Å | |
| CAF | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAN | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAS | sing | 1.37Å | 1.40Å | Aromatic |
| CAJ | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAR | doub | 1.38Å | 1.37Å | Aromatic |
| CAK | CAR | sing | 1.51Å | 1.54Å | |
| CAK | NAU | sing | 1.47Å | 1.42Å | |
| CAL | CAS | sing | 1.51Å | 1.54Å | |
| CAL | NAU | sing | 1.47Å | 1.46Å | |
| CAM | CAT | sing | 1.47Å | 1.40Å | |
| CAM | NAU | sing | 1.34Å | 1.31Å | |
| CAN | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAO | CAQ | doub | 1.39Å | 1.38Å | Aromatic |
| CAP | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAS | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAM | CAT | 126.0° | 124.8° |
| OAA | CAM | NAU | 122.2° | 124.8° |
| OAB | CAN | CAF | 121.5° | 119.9° |
| OAB | CAN | CAP | 118.5° | 119.9° |
| CAN | OAB | HOAB | 109.5° | 114.0° |
| OAC | CAP | CAN | 118.6° | 120.2° |
| OAC | CAP | CAT | 121.4° | 120.2° |
| CAP | OAC | HOAC | 109.5° | 114.0° |
| FAD | CAO | CAG | 123.1° | 120.0° |
| FAD | CAO | CAQ | 121.4° | 120.1° |
| CLA | CAQ | CAJ | 118.0° | 120.0° |
| CLA | CAQ | CAO | 116.6° | 120.0° |
| CAI | CAF | CAN | 120.6° | 120.2° |
| CAF | CAI | CAS | 119.2° | 120.2° |
| CAI | CAF | HAF | 119.7° | 119.9° |
| CAF | CAI | HAI | 120.4° | 119.9° |
| CAF | CAN | CAP | 120.0° | 120.2° |
| CAN | CAF | HAF | 119.7° | 119.9° |
| CAH | CAG | CAO | 119.7° | 120.0° |
| CAG | CAH | CAR | 123.7° | 120.0° |
| CAH | CAG | HAG | 120.1° | 120.0° |
| CAG | CAH | HAH | 118.1° | 119.9° |
| CAG | CAO | CAQ | 115.6° | 119.9° |
| CAO | CAG | HAG | 120.2° | 120.0° |
| CAH | CAR | CAJ | 117.2° | 120.1° |
| CAH | CAR | CAK | 121.6° | 120.0° |
| CAR | CAH | HAH | 118.2° | 120.0° |
| CAI | CAS | CAL | 132.3° | 133.2° |
| CAI | CAS | CAT | 121.0° | 120.4° |
| CAS | CAI | HAI | 120.4° | 119.9° |
| CAQ | CAJ | CAR | 118.3° | 120.0° |
| CAJ | CAQ | CAO | 125.4° | 120.0° |
| CAQ | CAJ | HAJ | 120.8° | 120.0° |
| CAJ | CAR | CAK | 121.0° | 120.0° |
| CAR | CAJ | HAJ | 120.8° | 120.0° |
| CAR | CAK | NAU | 111.8° | 109.5° |
| CAR | CAK | HAK | 108.9° | 109.5° |
| CAR | CAK | HAKA | 108.9° | 109.5° |
| CAK | NAU | CAL | 125.7° | 125.6° |
| CAK | NAU | CAM | 122.9° | 125.6° |
| NAU | CAK | HAK | 108.9° | 109.5° |
| NAU | CAK | HAKA | 108.9° | 109.5° |
| CAS | CAL | NAU | 101.9° | 106.2° |
| CAL | CAS | CAT | 106.7° | 106.4° |
| CAS | CAL | HAL1 | 111.3° | 110.1° |
| CAS | CAL | HAL2 | 111.3° | 110.1° |
| CAL | NAU | CAM | 111.4° | 108.8° |
| NAU | CAL | HAL1 | 111.4° | 110.1° |
| NAU | CAL | HAL2 | 111.3° | 110.1° |
| CAT | CAM | NAU | 111.6° | 110.4° |
| CAM | CAT | CAP | 132.6° | 132.3° |
| CAM | CAT | CAS | 108.2° | 108.3° |
| CAN | CAP | CAT | 120.0° | 119.6° |
| CAP | CAT | CAS | 119.1° | 119.4° |
| HAK | CAK | HAKA | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | NAU | CAK | 1.9° | 0.1° |
| OAA | CAM | NAU | CAL | 179.9° | 179.9° |
| OAA | CAM | CAT | NAU | 174.9° | 180.0° |
| OAA | CAM | CAT | CAP | 0.5° | 0.0° |
| OAA | CAM | CAT | CAS | 177.4° | 180.0° |
| OAB | CAN | CAP | OAC | 0.4° | 0.0° |
| OAB | CAN | CAF | CAI | 180.0° | 180.0° |
| OAB | CAN | CAF | CAP | 179.9° | 180.0° |
| OAB | CAN | CAP | CAT | 178.9° | 180.0° |
| OAB | CAN | CAF | HAF | 0.0° | 0.2° |
| OAC | CAP | CAN | CAF | 179.6° | 180.0° |
| OAC | CAP | CAT | CAM | 2.1° | 0.0° |
| OAC | CAP | CAN | CAT | 179.3° | 180.0° |
| OAC | CAP | CAT | CAS | 178.8° | 180.0° |
| FAD | CAO | CAQ | CLA | 0.7° | 0.1° |
| FAD | CAO | CAG | CAH | 179.6° | 180.0° |
| FAD | CAO | CAG | CAQ | 179.9° | 179.9° |
| FAD | CAO | CAQ | CAJ | 179.6° | 179.9° |
| FAD | CAO | CAG | HAG | 0.3° | 0.2° |
| CLA | CAQ | CAO | CAG | 179.4° | 180.0° |
| CLA | CAQ | CAJ | CAO | 178.9° | 180.0° |
| CLA | CAQ | CAJ | CAR | 178.8° | 179.9° |
| CLA | CAQ | CAJ | HAJ | 1.3° | 0.0° |
| CAI | CAF | CAN | HAF | 180.0° | 179.7° |
| CAF | CAI | CAS | HAI | 180.0° | 179.9° |
| CAF | CAI | CAS | CAL | 179.0° | 180.0° |
| CAI | CAF | CAN | CAP | 0.1° | 0.0° |
| CAF | CAI | CAS | CAT | 0.5° | 0.1° |
| CAN | CAF | CAI | CAS | 0.3° | 0.0° |
| CAF | CAN | CAP | CAT | 1.1° | 0.0° |
| CAF | CAN | OAB | HOAB | 180.0° | 90.0° |
| CAN | CAF | CAI | HAI | 179.7° | 180.0° |
| CAH | CAG | CAO | HAG | 180.0° | 179.8° |
| CAG | CAH | CAR | HAH | 180.0° | 179.9° |
| CAG | CAH | CAR | CAJ | 0.9° | 0.0° |
| CAG | CAH | CAR | CAK | 176.4° | 180.0° |
| CAH | CAG | CAO | CAQ | 0.4° | 0.1° |
| CAO | CAG | CAH | CAR | 0.2° | 0.1° |
| CAG | CAO | CAQ | CAJ | 0.5° | 0.0° |
| CAO | CAG | CAH | HAH | 179.7° | 179.9° |
| CAH | CAR | CAJ | CAQ | 0.8° | 0.1° |
| CAH | CAR | CAJ | CAK | 175.6° | 180.0° |
| CAH | CAR | CAK | NAU | 93.8° | 90.0° |
| CAR | CAH | CAG | HAG | 179.8° | 179.8° |
| CAH | CAR | CAJ | HAJ | 179.2° | 180.0° |
| CAH | CAR | CAK | HAK | 26.5° | 150.0° |
| CAH | CAR | CAK | HAKA | 145.9° | 30.0° |
| CAI | CAS | CAL | CAT | 179.6° | 179.9° |
| CAI | CAS | CAL | NAU | 176.6° | 180.0° |
| CAI | CAS | CAT | CAM | 179.1° | 180.0° |
| CAI | CAS | CAT | CAP | 1.6° | 0.0° |
| CAS | CAI | CAF | HAF | 179.7° | 179.8° |
| CAI | CAS | CAL | HAL1 | 64.7° | 60.9° |
| CAI | CAS | CAL | HAL2 | 57.8° | 60.8° |
| CAQ | CAJ | CAR | HAJ | 180.0° | 179.9° |
| CAQ | CAJ | CAR | CAK | 176.4° | 179.9° |
| CAJ | CAR | CAK | NAU | 90.8° | 90.0° |
| CAR | CAJ | CAQ | CAO | 0.2° | 0.1° |
| CAJ | CAR | CAH | HAH | 179.1° | 180.0° |
| CAJ | CAR | CAK | HAK | 148.9° | 30.0° |
| CAJ | CAR | CAK | HAKA | 29.5° | 150.0° |
| CAR | CAK | NAU | HAK | 120.3° | 120.0° |
| CAR | CAK | NAU | HAKA | 120.3° | 120.0° |
| CAR | CAK | NAU | CAL | 72.0° | 90.0° |
| CAR | CAK | NAU | CAM | 110.0° | 90.1° |
| CAK | CAR | CAH | HAH | 3.6° | 0.1° |
| CAK | CAR | CAJ | HAJ | 3.6° | 0.0° |
| CAR | CAK | HAK | HAKA | 119.0° | 120.0° |
| CAK | NAU | CAL | CAS | 177.1° | 179.9° |
| CAK | NAU | CAL | CAM | 178.2° | 180.0° |
| CAK | NAU | CAM | CAT | 177.0° | 180.0° |
| NAU | CAK | HAK | HAKA | 118.9° | 120.0° |
| CAK | NAU | CAL | HAL1 | 64.2° | 60.8° |
| CAK | NAU | CAL | HAL2 | 58.3° | 60.8° |
| CAS | CAL | NAU | HAL1 | 118.8° | 119.2° |
| CAS | CAL | NAU | HAL2 | 118.7° | 119.2° |
| CAL | CAS | CAT | CAM | 0.6° | 0.0° |
| CAS | CAL | NAU | CAM | 4.8° | 0.0° |
| CAL | CAS | CAT | CAP | 178.0° | 180.0° |
| CAL | CAS | CAI | HAI | 1.0° | 0.1° |
| CAS | CAL | HAL1 | HAL2 | 123.5° | 121.7° |
| CAL | NAU | CAM | CAT | 4.8° | 0.0° |
| NAU | CAL | CAS | CAT | 3.1° | 0.0° |
| CAL | NAU | CAK | HAK | 48.3° | 30.0° |
| CAL | NAU | CAK | HAKA | 167.7° | 150.0° |
| NAU | CAL | HAL1 | HAL2 | 123.6° | 121.6° |
| CAM | CAT | CAP | CAN | 178.6° | 180.0° |
| CAM | CAT | CAP | CAS | 176.7° | 180.0° |
| NAU | CAM | CAT | CAP | 174.4° | 180.0° |
| NAU | CAM | CAT | CAS | 2.5° | 0.0° |
| CAM | NAU | CAK | HAK | 129.6° | 149.9° |
| CAM | NAU | CAK | HAKA | 10.3° | 30.0° |
| CAM | NAU | CAL | HAL1 | 114.0° | 119.2° |
| CAM | NAU | CAL | HAL2 | 123.5° | 119.2° |
| CAN | CAP | CAT | CAS | 1.9° | 0.0° |
| CAP | CAN | OAB | HOAB | 0.1° | 90.0° |
| CAN | CAP | OAC | HOAC | 180.0° | 90.0° |
| CAP | CAN | CAF | HAF | 179.9° | 179.7° |
| CAQ | CAO | CAG | HAG | 179.6° | 179.8° |
| CAO | CAQ | CAJ | HAJ | 179.8° | 180.0° |
| CAT | CAP | OAC | HOAC | 0.7° | 90.0° |
| CAT | CAS | CAI | HAI | 179.4° | 180.0° |
| CAT | CAS | CAL | HAL1 | 115.7° | 119.2° |
| CAT | CAS | CAL | HAL2 | 121.8° | 119.2° |
| HAF | CAF | CAI | HAI | 0.3° | 0.3° |
| HAG | CAG | CAH | HAH | 0.3° | 0.3° |
