364
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAV | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.09Å | 1.08Å | |
| CAI | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.09Å | 1.08Å | |
| CAH | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.09Å | 1.08Å | |
| CAJ | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| CAN | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.09Å | 1.08Å | |
| CAV | CAW | sing | 1.45Å | 1.39Å | Aromatic |
| CAW | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | HAS | sing | 1.09Å | 1.08Å | |
| CAO | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.09Å | 1.08Å | |
| CAK | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.08Å | |
| CAP | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.09Å | 1.08Å | |
| CAX | CAY | sing | 1.44Å | 1.39Å | Aromatic |
| CAY | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | NAZ | doub | 1.33Å | 1.40Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAQ | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.09Å | 1.08Å | |
| CAL | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAR | NAZ | sing | 1.33Å | 1.40Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| NAZ | CAU | sing | 1.48Å | 1.48Å | |
| CAU | CBA | sing | 1.54Å | 1.53Å | |
| CAU | HAU1 | sing | 1.10Å | 1.10Å | |
| CAU | HAU2 | sing | 1.10Å | 1.10Å | |
| CBA | PBB | sing | 1.83Å | 1.87Å | |
| CBA | OAC | sing | 1.44Å | 1.43Å | |
| CBA | PBC | sing | 1.83Å | 1.87Å | |
| PBB | OAD | doub | 1.50Å | 1.61Å | |
| PBB | OAE | sing | 1.62Å | 1.61Å | |
| PBB | OAA | sing | 1.62Å | 1.48Å | |
| OAE | HOAE | sing | 0.98Å | 0.95Å | |
| OAA | HOAA | sing | 0.98Å | 0.95Å | |
| PBC | OAB | doub | 1.50Å | 1.48Å | |
| PBC | OAF | sing | 1.62Å | 1.61Å | |
| PBC | OAG | sing | 1.62Å | 1.61Å | |
| OAF | HOAF | sing | 0.98Å | 0.95Å | |
| OAG | HOAG | sing | 0.98Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAM | CAI | 120.4° | 120.0° |
| CAV | CAM | HAM | 119.8° | 120.8° |
| CAM | CAV | CAN | 119.6° | 120.0° |
| CAM | CAV | CAW | 120.2° | 120.0° |
| CAI | CAM | HAM | 119.8° | 119.2° |
| CAM | CAI | CAH | 119.8° | 120.0° |
| CAM | CAI | HAI | 120.1° | 120.0° |
| CAH | CAI | HAI | 120.1° | 120.1° |
| CAI | CAH | CAJ | 119.9° | 120.0° |
| CAI | CAH | HAH | 120.0° | 119.9° |
| CAJ | CAH | HAH | 120.1° | 120.1° |
| CAH | CAJ | CAN | 120.1° | 120.0° |
| CAH | CAJ | HAJ | 119.9° | 120.0° |
| CAN | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAN | CAV | 120.1° | 120.0° |
| CAJ | CAN | HAN | 120.0° | 119.1° |
| CAV | CAN | HAN | 119.9° | 120.8° |
| CAN | CAV | CAW | 120.1° | 120.0° |
| CAV | CAW | CAO | 119.7° | 120.0° |
| CAV | CAW | CAS | 120.7° | 120.0° |
| CAO | CAW | CAS | 119.6° | 120.0° |
| CAW | CAO | CAK | 120.2° | 120.0° |
| CAW | CAO | HAO | 119.9° | 120.9° |
| CAW | CAS | CAX | 120.4° | 120.0° |
| CAW | CAS | HAS | 119.8° | 120.1° |
| CAX | CAS | HAS | 119.8° | 119.9° |
| CAS | CAX | CAP | 119.7° | 119.9° |
| CAS | CAX | CAY | 120.6° | 120.1° |
| CAK | CAO | HAO | 119.9° | 119.1° |
| CAO | CAK | CAP | 120.0° | 120.0° |
| CAO | CAK | HAK | 120.1° | 120.0° |
| CAP | CAK | HAK | 120.0° | 120.0° |
| CAK | CAP | CAX | 120.2° | 120.1° |
| CAK | CAP | HAP | 119.9° | 119.1° |
| CAX | CAP | HAP | 119.9° | 120.8° |
| CAP | CAX | CAY | 119.6° | 120.1° |
| CAX | CAY | CAT | 120.0° | 120.6° |
| CAX | CAY | CAQ | 120.3° | 120.7° |
| CAT | CAY | CAQ | 119.6° | 118.7° |
| CAY | CAT | NAZ | 120.0° | 119.4° |
| CAY | CAT | HAT | 120.0° | 123.5° |
| CAY | CAQ | CAL | 120.7° | 119.9° |
| CAY | CAQ | HAQ | 119.6° | 120.9° |
| NAZ | CAT | HAT | 119.9° | 117.2° |
| CAT | NAZ | CAR | 119.9° | 123.8° |
| CAT | NAZ | CAU | 120.3° | 118.1° |
| CAL | CAQ | HAQ | 119.7° | 119.2° |
| CAQ | CAL | CAR | 120.0° | 118.8° |
| CAQ | CAL | HAL | 120.0° | 120.6° |
| CAR | CAL | HAL | 120.0° | 120.6° |
| CAL | CAR | NAZ | 119.8° | 119.4° |
| CAL | CAR | HAR | 120.1° | 122.8° |
| NAZ | CAR | HAR | 120.1° | 117.8° |
| CAR | NAZ | CAU | 119.6° | 118.1° |
| NAZ | CAU | CBA | 115.0° | 112.9° |
| NAZ | CAU | HAU1 | 107.6° | 107.7° |
| NAZ | CAU | HAU2 | 106.4° | 107.7° |
| CBA | CAU | HAU1 | 107.7° | 111.2° |
| CBA | CAU | HAU2 | 106.4° | 111.2° |
| CAU | CBA | PBB | 106.3° | 112.3° |
| CAU | CBA | OAC | 110.1° | 104.1° |
| CAU | CBA | PBC | 112.1° | 112.3° |
| HAU1 | CAU | HAU2 | 113.9° | 105.9° |
| PBB | CBA | OAC | 109.2° | 101.3° |
| PBB | CBA | PBC | 111.4° | 122.4° |
| CBA | PBB | OAD | 107.4° | 115.0° |
| CBA | PBB | OAE | 106.2° | 103.6° |
| CBA | PBB | OAA | 112.8° | 103.8° |
| OAC | CBA | PBC | 107.7° | 101.3° |
| CBA | OAC | HOAC | 109.5° | 107.3° |
| CBA | PBC | OAB | 112.0° | 115.0° |
| CBA | PBC | OAF | 108.4° | 103.8° |
| CBA | PBC | OAG | 105.9° | 103.6° |
| OAD | PBB | OAE | 105.6° | 114.7° |
| OAD | PBB | OAA | 112.2° | 115.5° |
| OAE | PBB | OAA | 112.1° | 102.7° |
| PBB | OAE | HOAE | 109.5° | 118.9° |
| PBB | OAA | HOAA | 109.5° | 119.0° |
| OAB | PBC | OAF | 113.0° | 115.4° |
| OAB | PBC | OAG | 111.3° | 114.7° |
| OAF | PBC | OAG | 105.8° | 102.8° |
| PBC | OAF | HOAF | 109.5° | 119.0° |
| PBC | OAG | HOAG | 109.5° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAM | CAI | HAM | 180.0° | 180.0° |
| CAV | CAM | CAI | CAH | 0.0° | 0.0° |
| CAV | CAM | CAI | HAI | 180.0° | 180.0° |
| CAM | CAV | CAN | CAJ | 0.2° | 0.1° |
| CAM | CAV | CAN | CAW | 176.4° | 179.9° |
| CAM | CAV | CAN | HAN | 179.8° | 180.0° |
| CAM | CAV | CAW | CAO | 37.6° | 90.0° |
| CAM | CAV | CAW | CAS | 142.2° | 90.0° |
| CAM | CAI | CAH | HAI | 180.0° | 180.0° |
| CAM | CAI | CAH | CAJ | 0.1° | 0.0° |
| CAM | CAI | CAH | HAH | 179.9° | 180.0° |
| CAI | CAM | CAV | CAN | 0.2° | 0.1° |
| CAI | CAM | CAV | CAW | 176.3° | 180.0° |
| HAM | CAM | CAI | CAH | 180.0° | 180.0° |
| HAM | CAM | CAI | HAI | 0.0° | 0.0° |
| HAM | CAM | CAV | CAN | 179.9° | 179.9° |
| HAM | CAM | CAV | CAW | 3.7° | 0.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAN | 0.1° | 0.0° |
| CAI | CAH | CAJ | HAJ | 179.9° | 180.0° |
| HAI | CAI | CAH | CAJ | 179.9° | 180.0° |
| HAI | CAI | CAH | HAH | 0.1° | 0.0° |
| CAH | CAJ | CAN | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAN | CAV | 0.1° | 0.0° |
| CAH | CAJ | CAN | HAN | 179.9° | 180.0° |
| HAH | CAH | CAJ | CAN | 179.9° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.1° | 0.1° |
| CAJ | CAN | CAV | HAN | 180.0° | 180.0° |
| CAJ | CAN | CAV | CAW | 176.2° | 180.0° |
| HAJ | CAJ | CAN | CAV | 180.0° | 180.0° |
| HAJ | CAJ | CAN | HAN | 0.0° | 0.0° |
| CAN | CAV | CAW | CAO | 138.8° | 90.0° |
| CAN | CAV | CAW | CAS | 41.4° | 90.0° |
| HAN | CAN | CAV | CAW | 3.8° | 0.0° |
| CAV | CAW | CAO | CAS | 179.8° | 180.0° |
| CAV | CAW | CAS | CAX | 179.9° | 180.0° |
| CAV | CAW | CAS | HAS | 0.1° | 0.0° |
| CAV | CAW | CAO | CAK | 179.9° | 180.0° |
| CAV | CAW | CAO | HAO | 0.1° | 0.0° |
| CAO | CAW | CAS | CAX | 0.3° | 0.0° |
| CAO | CAW | CAS | HAS | 179.7° | 180.0° |
| CAW | CAO | CAK | HAO | 180.0° | 180.0° |
| CAW | CAO | CAK | CAP | 0.1° | 0.0° |
| CAW | CAO | CAK | HAK | 179.9° | 180.0° |
| CAW | CAS | CAX | HAS | 180.0° | 180.0° |
| CAS | CAW | CAO | CAK | 0.3° | 0.0° |
| CAS | CAW | CAO | HAO | 179.7° | 180.0° |
| CAW | CAS | CAX | CAP | 0.0° | 0.0° |
| CAW | CAS | CAX | CAY | 178.2° | 179.9° |
| CAS | CAX | CAP | CAK | 0.2° | 0.1° |
| CAS | CAX | CAP | CAY | 178.2° | 179.9° |
| CAS | CAX | CAP | HAP | 179.8° | 180.0° |
| CAS | CAX | CAY | CAT | 141.3° | 29.9° |
| CAS | CAX | CAY | CAQ | 35.5° | 150.1° |
| HAS | CAS | CAX | CAP | 180.0° | 180.0° |
| HAS | CAS | CAX | CAY | 1.8° | 0.1° |
| CAO | CAK | CAP | HAK | 180.0° | 179.9° |
| CAO | CAK | CAP | CAX | 0.2° | 0.1° |
| CAO | CAK | CAP | HAP | 179.8° | 179.9° |
| HAO | CAO | CAK | CAP | 179.9° | 180.0° |
| HAO | CAO | CAK | HAK | 0.1° | 0.0° |
| CAK | CAP | CAX | HAP | 180.0° | 180.0° |
| CAK | CAP | CAX | CAY | 178.0° | 180.0° |
| HAK | CAK | CAP | CAX | 179.8° | 180.0° |
| HAK | CAK | CAP | HAP | 0.1° | 0.0° |
| CAP | CAX | CAY | CAT | 40.5° | 150.0° |
| CAP | CAX | CAY | CAQ | 142.8° | 30.0° |
| HAP | CAP | CAX | CAY | 2.0° | 0.1° |
| CAX | CAY | CAT | CAQ | 176.8° | 180.0° |
| CAX | CAY | CAT | NAZ | 176.2° | 180.0° |
| CAX | CAY | CAT | HAT | 3.8° | 0.0° |
| CAX | CAY | CAQ | CAL | 176.6° | 180.0° |
| CAX | CAY | CAQ | HAQ | 3.3° | 0.1° |
| CAY | CAT | NAZ | HAT | 180.0° | 180.0° |
| CAT | CAY | CAQ | CAL | 0.1° | 0.0° |
| CAT | CAY | CAQ | HAQ | 179.9° | 179.9° |
| CAY | CAT | NAZ | CAR | 0.7° | 0.0° |
| CAY | CAT | NAZ | CAU | 174.4° | 180.0° |
| CAQ | CAY | CAT | NAZ | 0.6° | 0.0° |
| CAQ | CAY | CAT | HAT | 179.4° | 180.0° |
| CAY | CAQ | CAL | HAQ | 180.0° | 179.9° |
| CAY | CAQ | CAL | CAR | 0.2° | 0.0° |
| CAY | CAQ | CAL | HAL | 179.8° | 180.0° |
| CAT | NAZ | CAR | CAL | 0.4° | 0.0° |
| CAT | NAZ | CAR | CAU | 175.1° | 180.0° |
| CAT | NAZ | CAR | HAR | 179.6° | 180.0° |
| CAT | NAZ | CAU | CBA | 68.0° | 90.0° |
| CAT | NAZ | CAU | HAU1 | 172.0° | 33.1° |
| CAT | NAZ | CAU | HAU2 | 49.6° | 146.9° |
| HAT | CAT | NAZ | CAR | 179.3° | 180.0° |
| HAT | CAT | NAZ | CAU | 5.6° | 0.1° |
| CAQ | CAL | CAR | HAL | 180.0° | 180.0° |
| CAQ | CAL | CAR | NAZ | 0.1° | 0.0° |
| CAQ | CAL | CAR | HAR | 179.9° | 180.0° |
| HAQ | CAQ | CAL | CAR | 179.8° | 180.0° |
| HAQ | CAQ | CAL | HAL | 0.2° | 0.0° |
| CAL | CAR | NAZ | HAR | 180.0° | 180.0° |
| CAL | CAR | NAZ | CAU | 174.7° | 180.0° |
| HAL | CAL | CAR | NAZ | 180.0° | 180.0° |
| HAL | CAL | CAR | HAR | 0.0° | 0.0° |
| CAR | NAZ | CAU | CBA | 116.9° | 90.0° |
| CAR | NAZ | CAU | HAU1 | 3.1° | 146.9° |
| CAR | NAZ | CAU | HAU2 | 125.5° | 33.2° |
| HAR | CAR | NAZ | CAU | 5.3° | 0.0° |
| NAZ | CAU | CBA | HAU1 | 120.0° | 121.1° |
| NAZ | CAU | CBA | HAU2 | 117.5° | 121.2° |
| NAZ | CAU | HAU1 | HAU2 | 117.7° | 115.0° |
| NAZ | CAU | CBA | PBB | 173.9° | 168.8° |
| NAZ | CAU | CBA | OAC | 55.7° | 60.0° |
| NAZ | CAU | CBA | PBC | 64.1° | 48.8° |
| CBA | CAU | HAU1 | HAU2 | 117.7° | 120.9° |
| CAU | CBA | PBB | OAC | 118.8° | 110.6° |
| CAU | CBA | PBB | PBC | 122.4° | 138.1° |
| CAU | CBA | OAC | PBC | 122.5° | 116.7° |
| CAU | CBA | PBB | OAD | 171.2° | 180.0° |
| CAU | CBA | PBB | OAE | 58.6° | 54.1° |
| CAU | CBA | PBB | OAA | 64.6° | 52.9° |
| CAU | CBA | PBC | OAB | 171.2° | 60.0° |
| CAU | CBA | PBC | OAF | 63.4° | 67.1° |
| CAU | CBA | PBC | OAG | 49.7° | 174.1° |
| CAU | CBA | OAC | HOAC | 177.9° | 180.0° |
| HAU1 | CAU | CBA | PBB | 66.1° | 70.1° |
| HAU1 | CAU | CBA | OAC | 175.7° | 178.9° |
| HAU1 | CAU | CBA | PBC | 55.9° | 72.3° |
| HAU2 | CAU | CBA | PBB | 56.4° | 47.6° |
| HAU2 | CAU | CBA | OAC | 61.8° | 61.2° |
| HAU2 | CAU | CBA | PBC | 178.4° | 169.9° |
| PBB | CBA | OAC | PBC | 121.1° | 126.6° |
| CBA | PBB | OAD | OAE | 113.0° | 119.9° |
| CBA | PBB | OAD | OAA | 124.5° | 120.9° |
| CBA | PBB | OAE | OAA | 123.6° | 107.8° |
| CBA | PBB | OAE | HOAE | 119.4° | 177.6° |
| CBA | PBB | OAA | HOAA | 63.4° | 177.7° |
| PBB | CBA | PBC | OAB | 69.7° | 161.9° |
| PBB | CBA | PBC | OAF | 55.6° | 71.0° |
| PBB | CBA | PBC | OAG | 168.8° | 36.0° |
| PBB | CBA | OAC | HOAC | 65.7° | 63.3° |
| OAC | CBA | PBB | OAD | 52.4° | 69.4° |
| OAC | CBA | PBB | OAE | 60.1° | 164.7° |
| OAC | CBA | PBB | OAA | 176.6° | 57.6° |
| OAC | CBA | PBC | OAB | 50.0° | 50.6° |
| OAC | CBA | PBC | OAF | 175.3° | 177.6° |
| OAC | CBA | PBC | OAG | 71.5° | 75.3° |
| PBC | CBA | PBB | OAD | 66.4° | 41.9° |
| PBC | CBA | PBB | OAE | 179.0° | 84.0° |
| PBC | CBA | PBB | OAA | 57.8° | 169.0° |
| CBA | PBC | OAB | OAF | 122.7° | 120.9° |
| CBA | PBC | OAB | OAG | 118.3° | 119.9° |
| CBA | PBC | OAF | OAG | 113.2° | 107.7° |
| CBA | PBC | OAF | HOAF | 60.2° | 177.7° |
| CBA | PBC | OAG | HOAG | 70.9° | 177.5° |
| PBC | CBA | OAC | HOAC | 55.4° | 63.3° |
| OAD | PBB | OAE | OAA | 122.5° | 126.1° |
| OAD | PBB | OAE | HOAE | 5.6° | 51.5° |
| OAD | PBB | OAA | HOAA | 175.1° | 50.9° |
| OAE | PBB | OAA | HOAA | 56.5° | 74.6° |
| OAA | PBB | OAE | HOAE | 116.9° | 74.6° |
| OAB | PBC | OAF | OAG | 122.0° | 125.6° |
| OAB | PBC | OAF | HOAF | 175.1° | 51.0° |
| OAB | PBC | OAG | HOAG | 167.1° | 51.4° |
| OAF | PBC | OAG | HOAG | 44.0° | 74.6° |
| OAG | PBC | OAF | HOAF | 53.0° | 74.6° |
