0IN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | sing | 1.51Å | 1.53Å | |
| CAE | CAG | doub | 1.37Å | 1.39Å | Aromatic |
| CAE | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.51Å | 1.53Å | |
| CAG | CAH | sing | 1.41Å | 1.39Å | Aromatic |
| CAG | OAO | sing | 1.36Å | 1.36Å | |
| CAH | NAK | doub | 1.34Å | 1.34Å | Aromatic |
| CAH | CAM | sing | 1.42Å | 1.39Å | Aromatic |
| CAI | CAN | doub | 1.36Å | 1.39Å | Aromatic |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| NAK | CAQ | sing | 1.31Å | 1.32Å | Aromatic |
| NAL | CAP | sing | 1.32Å | 1.32Å | Aromatic |
| NAL | CAS | doub | 1.32Å | 1.32Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAT | doub | 1.41Å | 1.39Å | Aromatic |
| CAQ | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAV | sing | 1.37Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| OAO | HOAO | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAG | 117.3° | 119.5° |
| CAF | CAE | CAI | 122.6° | 119.5° |
| CAE | CAF | CAJ | 109.9° | 109.5° |
| CAE | CAF | HAF | 109.3° | 109.5° |
| CAE | CAF | HAFA | 109.3° | 109.5° |
| CAG | CAE | CAI | 120.1° | 121.0° |
| CAE | CAG | CAH | 120.1° | 119.7° |
| CAE | CAG | OAO | 120.3° | 120.2° |
| CAE | CAI | CAN | 120.0° | 121.0° |
| CAE | CAI | HAI | 120.0° | 119.5° |
| CAF | CAJ | CAP | 120.2° | 120.4° |
| CAF | CAJ | CAR | 121.0° | 120.4° |
| CAJ | CAF | HAF | 109.3° | 109.4° |
| CAJ | CAF | HAFA | 109.3° | 109.4° |
| CAH | CAG | OAO | 119.6° | 120.2° |
| CAG | CAH | NAK | 120.0° | 121.1° |
| CAG | CAH | CAM | 119.7° | 119.1° |
| CAG | OAO | HOAO | 109.5° | 114.0° |
| NAK | CAH | CAM | 120.2° | 119.9° |
| CAH | NAK | CAQ | 122.2° | 121.3° |
| CAH | CAM | CAN | 120.3° | 119.6° |
| CAH | CAM | CAT | 118.8° | 119.0° |
| CAI | CAN | CAM | 119.8° | 119.7° |
| CAN | CAI | HAI | 120.0° | 119.6° |
| CAI | CAN | HAN | 120.1° | 120.1° |
| CAP | CAJ | CAR | 118.8° | 119.2° |
| CAJ | CAP | NAL | 120.4° | 120.7° |
| CAJ | CAP | HAP | 119.8° | 119.7° |
| CAJ | CAR | CAU | 119.2° | 118.4° |
| CAJ | CAR | HAR | 120.4° | 120.8° |
| NAK | CAQ | CAV | 120.4° | 121.8° |
| NAK | CAQ | HAQ | 119.8° | 119.1° |
| CAP | NAL | CAS | 122.5° | 121.7° |
| NAL | CAP | HAP | 119.8° | 119.6° |
| NAL | CAS | CAU | 120.4° | 120.8° |
| NAL | CAS | HAS | 119.8° | 119.6° |
| CAN | CAM | CAT | 120.8° | 121.4° |
| CAM | CAN | HAN | 120.1° | 120.2° |
| CAM | CAT | CAV | 119.2° | 118.2° |
| CAM | CAT | HAT | 120.4° | 120.9° |
| CAQ | CAV | CAT | 119.2° | 119.9° |
| CAV | CAQ | HAQ | 119.8° | 119.1° |
| CAQ | CAV | HAV | 120.4° | 120.0° |
| CAR | CAU | CAS | 118.7° | 119.1° |
| CAU | CAR | HAR | 120.4° | 120.8° |
| CAR | CAU | HAU | 120.6° | 120.4° |
| CAU | CAS | HAS | 119.8° | 119.6° |
| CAS | CAU | HAU | 120.6° | 120.5° |
| CAV | CAT | HAT | 120.4° | 120.9° |
| CAT | CAV | HAV | 120.4° | 120.1° |
| HAF | CAF | HAFA | 109.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAG | CAI | 179.6° | 179.7° |
| CAE | CAF | CAJ | HAF | 120.0° | 120.1° |
| CAE | CAF | CAJ | HAFA | 120.0° | 120.0° |
| CAF | CAE | CAG | CAH | 179.8° | 180.0° |
| CAF | CAE | CAG | OAO | 0.4° | 0.1° |
| CAF | CAE | CAI | CAN | 179.5° | 180.0° |
| CAE | CAF | CAJ | CAP | 96.2° | 90.0° |
| CAE | CAF | CAJ | CAR | 83.3° | 90.3° |
| CAE | CAF | HAF | HAFA | 119.8° | 120.1° |
| CAF | CAE | CAI | HAI | 0.5° | 0.0° |
| CAG | CAE | CAF | CAJ | 115.9° | 85.0° |
| CAE | CAG | CAH | OAO | 179.4° | 179.9° |
| CAE | CAG | CAH | NAK | 178.8° | 180.0° |
| CAE | CAG | CAH | CAM | 0.2° | 0.0° |
| CAG | CAE | CAI | CAN | 0.0° | 0.3° |
| CAG | CAE | CAF | HAF | 4.1° | 155.0° |
| CAG | CAE | CAF | HAFA | 124.1° | 35.0° |
| CAG | CAE | CAI | HAI | 180.0° | 179.7° |
| CAE | CAG | OAO | HOAO | 180.0° | 90.0° |
| CAI | CAE | CAF | CAJ | 63.6° | 95.3° |
| CAI | CAE | CAG | CAH | 0.2° | 0.3° |
| CAI | CAE | CAG | OAO | 179.2° | 179.7° |
| CAE | CAI | CAN | HAI | 180.0° | 180.0° |
| CAE | CAI | CAN | CAM | 0.2° | 0.0° |
| CAI | CAE | CAF | HAF | 176.3° | 24.7° |
| CAI | CAE | CAF | HAFA | 56.4° | 144.7° |
| CAE | CAI | CAN | HAN | 179.8° | 180.0° |
| CAF | CAJ | CAP | CAR | 179.5° | 179.7° |
| CAF | CAJ | CAP | NAL | 179.7° | 180.0° |
| CAF | CAJ | CAR | CAU | 179.5° | 180.0° |
| CAJ | CAF | HAF | HAFA | 119.8° | 119.9° |
| CAF | CAJ | CAP | HAP | 0.3° | 0.0° |
| CAF | CAJ | CAR | HAR | 0.5° | 0.0° |
| CAG | CAH | NAK | CAM | 179.0° | 179.9° |
| CAG | CAH | NAK | CAQ | 178.9° | 180.0° |
| CAG | CAH | CAM | CAN | 0.1° | 0.3° |
| CAG | CAH | CAM | CAT | 179.0° | 180.0° |
| CAH | CAG | OAO | HOAO | 0.6° | 90.1° |
| OAO | CAG | CAH | NAK | 1.8° | 0.1° |
| OAO | CAG | CAH | CAM | 179.1° | 180.0° |
| NAK | CAH | CAM | CAN | 179.0° | 179.7° |
| NAK | CAH | CAM | CAT | 0.0° | 0.0° |
| CAH | NAK | CAQ | CAV | 0.0° | 0.0° |
| CAH | NAK | CAQ | HAQ | 180.0° | 179.9° |
| CAH | CAM | CAN | CAI | 0.2° | 0.3° |
| CAM | CAH | NAK | CAQ | 0.1° | 0.0° |
| CAH | CAM | CAN | CAT | 178.9° | 179.7° |
| CAH | CAM | CAT | CAV | 0.1° | 0.1° |
| CAH | CAM | CAN | HAN | 179.9° | 179.7° |
| CAH | CAM | CAT | HAT | 180.0° | 180.0° |
| CAI | CAN | CAM | HAN | 180.0° | 179.9° |
| CAI | CAN | CAM | CAT | 178.7° | 180.0° |
| CAJ | CAP | NAL | HAP | 180.0° | 180.0° |
| CAJ | CAP | NAL | CAS | 0.2° | 0.1° |
| CAP | CAJ | CAR | CAU | 0.0° | 0.3° |
| CAP | CAJ | CAF | HAF | 23.8° | 30.1° |
| CAP | CAJ | CAF | HAFA | 143.8° | 150.0° |
| CAP | CAJ | CAR | HAR | 180.0° | 179.7° |
| CAR | CAJ | CAP | NAL | 0.1° | 0.3° |
| CAJ | CAR | CAU | HAR | 180.0° | 180.0° |
| CAJ | CAR | CAU | CAS | 0.1° | 0.0° |
| CAR | CAJ | CAF | HAF | 156.7° | 149.7° |
| CAR | CAJ | CAF | HAFA | 36.7° | 29.8° |
| CAR | CAJ | CAP | HAP | 179.8° | 179.7° |
| CAJ | CAR | CAU | HAU | 179.9° | 180.0° |
| NAK | CAQ | CAV | HAQ | 180.0° | 179.9° |
| NAK | CAQ | CAV | CAT | 0.1° | 0.0° |
| NAK | CAQ | CAV | HAV | 179.9° | 180.0° |
| CAP | NAL | CAS | CAU | 0.0° | 0.3° |
| CAP | NAL | CAS | HAS | 180.0° | 180.0° |
| NAL | CAS | CAU | CAR | 0.1° | 0.3° |
| NAL | CAS | CAU | HAS | 180.0° | 179.7° |
| CAS | NAL | CAP | HAP | 179.8° | 179.9° |
| NAL | CAS | CAU | HAU | 179.9° | 179.7° |
| CAN | CAM | CAT | CAV | 178.8° | 179.7° |
| CAM | CAN | CAI | HAI | 179.8° | 180.0° |
| CAN | CAM | CAT | HAT | 1.1° | 0.3° |
| CAM | CAT | CAV | CAQ | 0.1° | 0.1° |
| CAM | CAT | CAV | HAT | 180.0° | 179.9° |
| CAT | CAM | CAN | HAN | 1.2° | 0.1° |
| CAM | CAT | CAV | HAV | 179.9° | 180.0° |
| CAQ | CAV | CAT | HAV | 180.0° | 180.0° |
| CAQ | CAV | CAT | HAT | 179.9° | 180.0° |
| CAR | CAU | CAS | HAU | 180.0° | 180.0° |
| CAR | CAU | CAS | HAS | 179.8° | 180.0° |
| CAS | CAU | CAR | HAR | 179.9° | 180.0° |
| CAT | CAV | CAQ | HAQ | 179.9° | 179.9° |
| HAI | CAI | CAN | HAN | 0.2° | 0.1° |
| HAQ | CAQ | CAV | HAV | 0.1° | 0.1° |
| HAR | CAR | CAU | HAU | 0.1° | 0.0° |
| HAS | CAS | CAU | HAU | 0.1° | 0.0° |
| HAT | CAT | CAV | HAV | 0.1° | 0.0° |
