734
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAA | doub | 1.38Å | 1.42Å | Aromatic |
| CAA | CAK | sing | 1.39Å | 1.41Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAC | CAB | doub | 1.37Å | 1.42Å | Aromatic |
| CAB | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAB | OAX | sing | 1.36Å | 1.36Å | |
| CAD | CAC | sing | 1.39Å | 1.43Å | Aromatic |
| CAM | CAC | sing | 1.51Å | 1.52Å | |
| CAD | CAE | doub | 1.36Å | 1.42Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CLAY | CAE | sing | 1.74Å | 1.81Å | |
| CAE | CAG | sing | 1.41Å | 1.43Å | Aromatic |
| OAW | CAF | sing | 1.34Å | 1.51Å | Aromatic |
| CAM | CAF | sing | 1.51Å | 1.52Å | |
| CAF | CAQ | doub | 1.35Å | 1.22Å | Aromatic |
| CAG | CAH | doub | 1.41Å | 1.42Å | Aromatic |
| CAG | CAL | sing | 1.42Å | 1.44Å | Aromatic |
| CAH | CAI | sing | 1.37Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAV | CAJ | sing | 1.31Å | 1.36Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | NAV | doub | 1.34Å | 1.38Å | Aromatic |
| NAT | CAM | sing | 1.47Å | 1.47Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| NAU | CAN | sing | 1.32Å | 1.37Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAP | CAO | sing | 1.39Å | 1.41Å | Aromatic |
| NAT | CAO | sing | 1.39Å | 1.38Å | |
| CAO | NAU | doub | 1.32Å | 1.38Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | CAQ | sing | 1.41Å | 1.12Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | CAR | doub | 1.35Å | 1.23Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| OAW | CAS | sing | 1.34Å | 1.51Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| OAX | HOAX | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAA | CAK | 119.9° | 118.5° |
| CAP | CAA | HAA | 120.1° | 120.8° |
| CAA | CAP | CAO | 119.3° | 119.1° |
| CAA | CAP | HAP | 120.3° | 120.5° |
| CAK | CAA | HAA | 120.0° | 120.7° |
| CAA | CAK | CAN | 119.0° | 119.3° |
| CAA | CAK | HAK | 120.5° | 120.4° |
| CAC | CAB | CAL | 120.4° | 119.6° |
| CAC | CAB | OAX | 120.4° | 120.1° |
| CAB | CAC | CAD | 119.2° | 121.0° |
| CAB | CAC | CAM | 119.2° | 119.5° |
| CAL | CAB | OAX | 119.2° | 120.2° |
| CAB | CAL | CAG | 120.4° | 119.1° |
| CAB | CAL | NAV | 119.7° | 121.1° |
| CAB | OAX | HOAX | 109.5° | 114.0° |
| CAD | CAC | CAM | 121.6° | 119.5° |
| CAC | CAD | CAE | 121.0° | 120.9° |
| CAC | CAD | HAD | 119.5° | 119.5° |
| CAC | CAM | CAF | 112.5° | 109.5° |
| CAC | CAM | NAT | 109.0° | 109.4° |
| CAC | CAM | HAM | 108.4° | 109.5° |
| CAE | CAD | HAD | 119.5° | 119.5° |
| CAD | CAE | CLAY | 119.1° | 120.2° |
| CAD | CAE | CAG | 119.3° | 119.7° |
| CLAY | CAE | CAG | 121.6° | 120.1° |
| CAE | CAG | CAH | 121.9° | 121.4° |
| CAE | CAG | CAL | 119.7° | 119.6° |
| OAW | CAF | CAM | 131.9° | 125.9° |
| OAW | CAF | CAQ | 96.5° | 108.4° |
| CAF | OAW | CAS | 105.7° | 109.5° |
| CAM | CAF | CAQ | 131.7° | 125.8° |
| CAF | CAM | NAT | 111.3° | 109.4° |
| CAF | CAM | HAM | 106.0° | 109.5° |
| CAF | CAQ | CAR | 119.7° | 106.9° |
| CAF | CAQ | HAQ | 120.1° | 126.6° |
| CAH | CAG | CAL | 118.4° | 118.9° |
| CAG | CAH | CAI | 119.8° | 118.2° |
| CAG | CAH | HAH | 120.1° | 120.8° |
| CAG | CAL | NAV | 119.9° | 119.9° |
| CAI | CAH | HAH | 120.1° | 121.0° |
| CAH | CAI | CAJ | 119.5° | 119.9° |
| CAH | CAI | HAI | 120.2° | 120.1° |
| CAJ | CAI | HAI | 120.3° | 120.0° |
| CAI | CAJ | NAV | 120.6° | 121.7° |
| CAI | CAJ | HAJ | 119.7° | 119.2° |
| NAV | CAJ | HAJ | 119.7° | 119.1° |
| CAJ | NAV | CAL | 121.8° | 121.4° |
| CAN | CAK | HAK | 120.5° | 120.3° |
| CAK | CAN | NAU | 120.3° | 120.9° |
| CAK | CAN | HAN | 119.9° | 119.6° |
| NAT | CAM | HAM | 109.6° | 109.5° |
| CAM | NAT | CAO | 122.1° | 120.0° |
| CAM | NAT | HNAT | 105.5° | 120.1° |
| NAU | CAN | HAN | 119.9° | 119.5° |
| CAN | NAU | CAO | 122.0° | 121.6° |
| CAP | CAO | NAT | 119.6° | 119.7° |
| CAP | CAO | NAU | 119.4° | 120.6° |
| CAO | CAP | HAP | 120.3° | 120.4° |
| NAT | CAO | NAU | 121.0° | 119.7° |
| CAO | NAT | HNAT | 105.5° | 119.9° |
| CAR | CAQ | HAQ | 120.2° | 126.6° |
| CAQ | CAR | CAS | 124.2° | 106.8° |
| CAQ | CAR | HAR | 117.9° | 126.6° |
| CAS | CAR | HAR | 117.9° | 126.6° |
| CAR | CAS | OAW | 93.9° | 108.4° |
| CAR | CAS | HAS | 133.1° | 125.8° |
| OAW | CAS | HAS | 133.0° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAA | CAK | HAA | 180.0° | 179.8° |
| CAP | CAA | CAK | CAN | 0.0° | 0.2° |
| CAP | CAA | CAK | HAK | 180.0° | 179.7° |
| CAA | CAP | CAO | HAP | 180.0° | 180.0° |
| CAA | CAP | CAO | NAT | 180.0° | 179.7° |
| CAA | CAP | CAO | NAU | 0.0° | 0.6° |
| CAA | CAK | CAN | HAK | 180.0° | 180.0° |
| CAA | CAK | CAN | NAU | 0.0° | 0.0° |
| CAA | CAK | CAN | HAN | 180.0° | 179.9° |
| CAK | CAA | CAP | CAO | 0.0° | 0.0° |
| CAK | CAA | CAP | HAP | 180.0° | 180.0° |
| HAA | CAA | CAK | CAN | 180.0° | 179.9° |
| HAA | CAA | CAK | HAK | 0.0° | 0.1° |
| HAA | CAA | CAP | CAO | 180.0° | 179.8° |
| HAA | CAA | CAP | HAP | 0.0° | 0.2° |
| CAC | CAB | CAL | OAX | 179.8° | 179.6° |
| CAB | CAC | CAD | CAM | 179.8° | 180.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAB | CAC | CAD | HAD | 179.9° | 179.9° |
| CAB | CAC | CAM | CAF | 147.8° | 87.5° |
| CAC | CAB | CAL | CAG | 0.0° | 0.1° |
| CAC | CAB | CAL | NAV | 179.8° | 179.9° |
| CAB | CAC | CAM | NAT | 88.2° | 152.6° |
| CAB | CAC | CAM | HAM | 31.0° | 32.6° |
| CAC | CAB | OAX | HOAX | 180.0° | 89.6° |
| CAL | CAB | CAC | CAD | 0.1° | 0.1° |
| CAL | CAB | CAC | CAM | 179.7° | 180.0° |
| CAB | CAL | CAG | CAE | 0.0° | 0.0° |
| CAB | CAL | CAG | CAH | 180.0° | 180.0° |
| CAB | CAL | CAG | NAV | 179.9° | 180.0° |
| CAB | CAL | NAV | CAJ | 179.9° | 180.0° |
| CAL | CAB | OAX | HOAX | 0.2° | 90.0° |
| OAX | CAB | CAC | CAD | 179.9° | 179.7° |
| OAX | CAB | CAC | CAM | 0.1° | 0.4° |
| OAX | CAB | CAL | CAG | 179.8° | 179.7° |
| OAX | CAB | CAL | NAV | 0.0° | 0.3° |
| CAC | CAD | CAE | HAD | 180.0° | 179.9° |
| CAC | CAD | CAE | CLAY | 179.9° | 179.9° |
| CAC | CAD | CAE | CAG | 0.1° | 0.1° |
| CAD | CAC | CAM | CAF | 32.3° | 92.5° |
| CAD | CAC | CAM | NAT | 91.6° | 27.4° |
| CAD | CAC | CAM | HAM | 149.2° | 147.4° |
| CAM | CAC | CAD | CAE | 179.7° | 179.9° |
| CAM | CAC | CAD | HAD | 0.3° | 0.0° |
| CAC | CAM | CAF | OAW | 65.7° | 80.2° |
| CAC | CAM | CAF | NAT | 122.7° | 119.9° |
| CAC | CAM | CAF | HAM | 118.3° | 120.1° |
| CAC | CAM | CAF | CAQ | 114.6° | 100.0° |
| CAC | CAM | NAT | HAM | 118.5° | 120.0° |
| CAC | CAM | NAT | CAO | 106.3° | 155.2° |
| CAC | CAM | NAT | HNAT | 13.6° | 24.7° |
| CAD | CAE | CLAY | CAG | 179.9° | 180.0° |
| CAD | CAE | CAG | CAH | 180.0° | 179.9° |
| CAD | CAE | CAG | CAL | 0.0° | 0.0° |
| HAD | CAD | CAE | CLAY | 0.1° | 0.0° |
| HAD | CAD | CAE | CAG | 179.9° | 180.0° |
| CLAY | CAE | CAG | CAH | 0.0° | 0.1° |
| CLAY | CAE | CAG | CAL | 179.9° | 180.0° |
| CAE | CAG | CAH | CAL | 180.0° | 180.0° |
| CAE | CAG | CAH | CAI | 179.9° | 180.0° |
| CAE | CAG | CAH | HAH | 0.2° | 0.1° |
| CAE | CAG | CAL | NAV | 179.9° | 180.0° |
| OAW | CAF | CAM | CAQ | 179.7° | 179.7° |
| OAW | CAF | CAM | NAT | 57.0° | 39.7° |
| OAW | CAF | CAM | HAM | 176.0° | 159.7° |
| OAW | CAF | CAQ | CAR | 0.1° | 0.3° |
| OAW | CAF | CAQ | HAQ | 179.9° | 179.8° |
| CAF | OAW | CAS | CAR | 0.1° | 0.4° |
| CAF | OAW | CAS | HAS | 179.9° | 179.8° |
| CAF | CAM | NAT | HAM | 116.9° | 120.1° |
| CAF | CAM | NAT | CAO | 129.0° | 84.8° |
| CAM | CAF | CAQ | CAR | 179.9° | 180.0° |
| CAM | CAF | CAQ | HAQ | 0.1° | 0.0° |
| CAM | CAF | OAW | CAS | 179.9° | 179.8° |
| CAF | CAM | NAT | HNAT | 111.0° | 95.3° |
| CAQ | CAF | CAM | NAT | 122.8° | 140.0° |
| CAQ | CAF | CAM | HAM | 3.7° | 20.0° |
| CAF | CAQ | CAR | HAQ | 180.0° | 180.0° |
| CAF | CAQ | CAR | CAS | 0.1° | 0.0° |
| CAF | CAQ | CAR | HAR | 179.9° | 180.0° |
| CAQ | CAF | OAW | CAS | 0.1° | 0.4° |
| CAG | CAH | CAI | HAH | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 0.1° | 0.1° |
| CAG | CAH | CAI | HAI | 179.9° | 180.0° |
| CAH | CAG | CAL | NAV | 0.1° | 0.0° |
| CAL | CAG | CAH | CAI | 0.1° | 0.0° |
| CAL | CAG | CAH | HAH | 179.9° | 179.9° |
| CAG | CAL | NAV | CAJ | 0.1° | 0.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | NAV | 0.1° | 0.1° |
| CAH | CAI | CAJ | HAJ | 179.9° | 180.0° |
| HAH | CAH | CAI | CAJ | 179.9° | 180.0° |
| HAH | CAH | CAI | HAI | 0.1° | 0.1° |
| CAI | CAJ | NAV | HAJ | 180.0° | 179.9° |
| CAI | CAJ | NAV | CAL | 0.0° | 0.0° |
| HAI | CAI | CAJ | NAV | 180.0° | 180.0° |
| HAI | CAI | CAJ | HAJ | 0.0° | 0.1° |
| HAJ | CAJ | NAV | CAL | 180.0° | 179.9° |
| CAK | CAN | NAU | HAN | 180.0° | 179.9° |
| CAK | CAN | NAU | CAO | 0.0° | 0.6° |
| HAK | CAK | CAN | NAU | 180.0° | 180.0° |
| HAK | CAK | CAN | HAN | 0.0° | 0.1° |
| CAM | NAT | CAO | CAP | 179.9° | 0.9° |
| CAM | NAT | CAO | HNAT | 120.0° | 179.9° |
| CAM | NAT | CAO | NAU | 0.1° | 180.0° |
| HAM | CAM | NAT | CAO | 12.2° | 35.2° |
| HAM | CAM | NAT | HNAT | 132.1° | 144.7° |
| CAN | NAU | CAO | CAP | 0.0° | 0.9° |
| CAN | NAU | CAO | NAT | 180.0° | 180.0° |
| HAN | CAN | NAU | CAO | 180.0° | 179.3° |
| CAP | CAO | NAT | NAU | 180.0° | 179.1° |
| CAP | CAO | NAT | HNAT | 60.1° | 179.2° |
| NAT | CAO | CAP | HAP | 0.0° | 0.3° |
| NAU | CAO | CAP | HAP | 180.0° | 179.4° |
| NAU | CAO | NAT | HNAT | 119.9° | 0.0° |
| CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAS | OAW | 0.0° | 0.2° |
| CAQ | CAR | CAS | HAS | 180.0° | 179.9° |
| HAQ | CAQ | CAR | CAS | 179.9° | 180.0° |
| HAQ | CAQ | CAR | HAR | 0.1° | 0.0° |
| CAR | CAS | OAW | HAS | 180.0° | 179.8° |
| HAR | CAR | CAS | OAW | 180.0° | 179.8° |
| HAR | CAR | CAS | HAS | 0.0° | 0.1° |
