EOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | PAU | sing | 1.61Å | 1.61Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| PAU | OAE | sing | 1.61Å | 1.61Å | |
| PAU | OAC | doub | 1.48Å | 1.48Å | |
| PAU | CAM | sing | 1.82Å | 1.81Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAM | CAQ | sing | 1.51Å | 1.53Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAQ | OAA | doub | 1.21Å | 1.23Å | |
| CAQ | NAO | sing | 1.35Å | 1.34Å | |
| NAO | CAS | sing | 1.40Å | 1.33Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAS | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAT | NAP | sing | 1.40Å | 1.33Å | |
| NAP | CAR | sing | 1.35Å | 1.33Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAR | OAB | doub | 1.21Å | 1.24Å | |
| CAR | CAN | sing | 1.51Å | 1.53Å | |
| CAN | PAV | sing | 1.82Å | 1.81Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| PAV | OAH | sing | 1.61Å | 1.61Å | |
| PAV | OAG | sing | 1.61Å | 1.61Å | |
| PAV | OAD | doub | 1.48Å | 1.49Å | |
| OAH | HAH | sing | 0.97Å | 0.95Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PAU | OAF | HAF | 109.5° | 106.8° |
| OAF | PAU | OAE | 106.5° | 109.5° |
| OAF | PAU | OAC | 112.9° | 109.5° |
| OAF | PAU | CAM | 105.6° | 109.5° |
| OAE | PAU | OAC | 113.0° | 109.5° |
| OAE | PAU | CAM | 105.2° | 109.5° |
| PAU | OAE | HAE | 109.5° | 106.8° |
| OAC | PAU | CAM | 112.9° | 109.5° |
| PAU | CAM | CAQ | 112.3° | 109.5° |
| PAU | CAM | HAM1 | 107.9° | 109.5° |
| PAU | CAM | HAM2 | 108.6° | 109.5° |
| CAQ | CAM | HAM1 | 107.9° | 109.5° |
| CAQ | CAM | HAM2 | 108.5° | 109.5° |
| CAM | CAQ | OAA | 119.7° | 120.0° |
| CAM | CAQ | NAO | 117.6° | 120.0° |
| HAM1 | CAM | HAM2 | 111.7° | 109.5° |
| OAA | CAQ | NAO | 122.7° | 120.0° |
| CAQ | NAO | CAS | 126.6° | 120.0° |
| CAQ | NAO | HAO | 116.7° | 120.0° |
| CAS | NAO | HAO | 116.7° | 120.0° |
| NAO | CAS | CAL | 121.4° | 120.0° |
| NAO | CAS | CAJ | 119.4° | 120.0° |
| CAL | CAS | CAJ | 118.9° | 120.0° |
| CAS | CAL | CAT | 121.5° | 119.8° |
| CAS | CAL | HAL | 119.3° | 120.1° |
| CAS | CAJ | CAI | 120.4° | 120.0° |
| CAS | CAJ | HAJ | 119.8° | 120.0° |
| CAT | CAL | HAL | 119.3° | 120.1° |
| CAL | CAT | CAK | 118.8° | 119.9° |
| CAL | CAT | NAP | 116.7° | 120.0° |
| CAI | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAI | CAK | 120.0° | 120.1° |
| CAJ | CAI | HAI | 120.0° | 119.9° |
| CAK | CAI | HAI | 120.0° | 120.0° |
| CAI | CAK | CAT | 120.4° | 120.1° |
| CAI | CAK | HAK | 119.8° | 119.9° |
| CAT | CAK | HAK | 119.8° | 120.0° |
| CAK | CAT | NAP | 124.4° | 120.0° |
| CAT | NAP | CAR | 128.4° | 120.0° |
| CAT | NAP | HAP | 115.8° | 120.0° |
| CAR | NAP | HAP | 115.8° | 120.0° |
| NAP | CAR | OAB | 123.0° | 120.0° |
| NAP | CAR | CAN | 117.5° | 120.0° |
| OAB | CAR | CAN | 119.5° | 120.0° |
| CAR | CAN | PAV | 107.7° | 109.5° |
| CAR | CAN | HAN1 | 110.5° | 109.5° |
| CAR | CAN | HAN2 | 110.1° | 109.4° |
| PAV | CAN | HAN1 | 110.5° | 109.5° |
| PAV | CAN | HAN2 | 110.1° | 109.5° |
| CAN | PAV | OAH | 107.4° | 109.5° |
| CAN | PAV | OAG | 106.0° | 109.5° |
| CAN | PAV | OAD | 111.2° | 109.5° |
| HAN1 | CAN | HAN2 | 108.1° | 109.5° |
| OAH | PAV | OAG | 106.6° | 109.5° |
| OAH | PAV | OAD | 111.6° | 109.4° |
| PAV | OAH | HAH | 109.5° | 106.8° |
| OAG | PAV | OAD | 113.6° | 109.4° |
| PAV | OAG | HAG | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | PAU | OAE | OAC | 124.5° | 120.0° |
| OAF | PAU | OAE | CAM | 111.8° | 120.0° |
| OAF | PAU | OAC | CAM | 119.8° | 120.0° |
| OAF | PAU | OAE | HAE | 41.3° | 60.0° |
| OAF | PAU | CAM | CAQ | 88.6° | 175.0° |
| OAF | PAU | CAM | HAM1 | 152.6° | 55.0° |
| OAF | PAU | CAM | HAM2 | 31.4° | 65.0° |
| HAF | OAF | PAU | OAE | 169.7° | 60.0° |
| HAF | OAF | PAU | OAC | 65.7° | 60.0° |
| HAF | OAF | PAU | CAM | 58.1° | 180.0° |
| OAE | PAU | OAC | CAM | 119.3° | 120.0° |
| OAE | PAU | CAM | CAQ | 159.0° | 65.0° |
| OAE | PAU | CAM | HAM1 | 40.2° | 175.0° |
| OAE | PAU | CAM | HAM2 | 81.0° | 55.0° |
| OAC | PAU | OAE | HAE | 83.2° | 180.0° |
| OAC | PAU | CAM | CAQ | 35.3° | 55.0° |
| OAC | PAU | CAM | HAM1 | 83.5° | 65.0° |
| OAC | PAU | CAM | HAM2 | 155.2° | 175.0° |
| CAM | PAU | OAE | HAE | 153.1° | 60.0° |
| PAU | CAM | CAQ | HAM1 | 118.8° | 120.0° |
| PAU | CAM | CAQ | HAM2 | 120.0° | 120.0° |
| PAU | CAM | HAM1 | HAM2 | 119.2° | 120.0° |
| PAU | CAM | CAQ | OAA | 27.5° | 80.0° |
| PAU | CAM | CAQ | NAO | 151.9° | 100.0° |
| CAQ | CAM | HAM1 | HAM2 | 119.2° | 120.0° |
| CAM | CAQ | OAA | NAO | 179.4° | 180.0° |
| CAM | CAQ | NAO | CAS | 0.7° | 174.4° |
| CAM | CAQ | NAO | HAO | 179.3° | 5.6° |
| HAM1 | CAM | CAQ | OAA | 146.3° | 40.0° |
| HAM1 | CAM | CAQ | NAO | 33.2° | 140.0° |
| HAM2 | CAM | CAQ | OAA | 92.5° | 160.0° |
| HAM2 | CAM | CAQ | NAO | 88.1° | 20.0° |
| OAA | CAQ | NAO | CAS | 178.7° | 5.6° |
| OAA | CAQ | NAO | HAO | 1.3° | 174.4° |
| CAQ | NAO | CAS | HAO | 180.0° | 180.0° |
| CAQ | NAO | CAS | CAL | 7.3° | 142.7° |
| CAQ | NAO | CAS | CAJ | 179.1° | 37.5° |
| NAO | CAS | CAL | CAJ | 173.6° | 179.7° |
| NAO | CAS | CAL | CAT | 172.7° | 179.7° |
| NAO | CAS | CAL | HAL | 7.3° | 0.3° |
| NAO | CAS | CAJ | CAI | 173.3° | 180.0° |
| NAO | CAS | CAJ | HAJ | 6.7° | 0.0° |
| HAO | NAO | CAS | CAL | 172.7° | 37.3° |
| HAO | NAO | CAS | CAJ | 0.9° | 142.5° |
| CAS | CAL | CAT | HAL | 180.0° | 179.4° |
| CAL | CAS | CAJ | CAI | 0.4° | 0.3° |
| CAL | CAS | CAJ | HAJ | 179.6° | 179.8° |
| CAS | CAL | CAT | CAK | 0.7° | 0.5° |
| CAS | CAL | CAT | NAP | 175.5° | 179.7° |
| CAJ | CAS | CAL | CAT | 0.9° | 0.5° |
| CAJ | CAS | CAL | HAL | 179.2° | 180.0° |
| CAS | CAJ | CAI | HAJ | 180.0° | 179.9° |
| CAS | CAJ | CAI | CAK | 0.2° | 0.0° |
| CAS | CAJ | CAI | HAI | 179.8° | 180.0° |
| CAL | CAT | CAK | CAI | 0.2° | 0.3° |
| CAL | CAT | CAK | NAP | 175.9° | 179.7° |
| CAL | CAT | CAK | HAK | 179.8° | 179.7° |
| CAL | CAT | NAP | CAR | 179.5° | 142.2° |
| CAL | CAT | NAP | HAP | 0.5° | 37.7° |
| HAL | CAL | CAT | CAK | 179.3° | 180.0° |
| HAL | CAL | CAT | NAP | 4.5° | 0.3° |
| CAJ | CAI | CAK | HAI | 180.0° | 179.9° |
| CAJ | CAI | CAK | CAT | 0.3° | 0.0° |
| CAJ | CAI | CAK | HAK | 179.7° | 180.0° |
| HAJ | CAJ | CAI | CAK | 179.8° | 180.0° |
| HAJ | CAJ | CAI | HAI | 0.2° | 0.1° |
| CAI | CAK | CAT | HAK | 180.0° | 180.0° |
| CAI | CAK | CAT | NAP | 175.7° | 180.0° |
| HAI | CAI | CAK | CAT | 179.7° | 180.0° |
| HAI | CAI | CAK | HAK | 0.3° | 0.0° |
| CAK | CAT | NAP | CAR | 4.6° | 37.5° |
| CAK | CAT | NAP | HAP | 175.5° | 142.5° |
| HAK | CAK | CAT | NAP | 4.3° | 0.0° |
| CAT | NAP | CAR | HAP | 180.0° | 180.0° |
| CAT | NAP | CAR | OAB | 179.9° | 5.5° |
| CAT | NAP | CAR | CAN | 1.0° | 174.4° |
| NAP | CAR | OAB | CAN | 179.1° | 180.0° |
| NAP | CAR | CAN | PAV | 81.9° | 100.0° |
| NAP | CAR | CAN | HAN1 | 38.8° | 20.0° |
| NAP | CAR | CAN | HAN2 | 158.1° | 140.0° |
| HAP | NAP | CAR | OAB | 0.1° | 174.4° |
| HAP | NAP | CAR | CAN | 179.0° | 5.6° |
| OAB | CAR | CAN | PAV | 97.3° | 80.0° |
| OAB | CAR | CAN | HAN1 | 142.0° | 160.0° |
| OAB | CAR | CAN | HAN2 | 22.7° | 40.0° |
| CAR | CAN | PAV | HAN1 | 120.7° | 120.0° |
| CAR | CAN | PAV | HAN2 | 120.0° | 120.0° |
| CAR | CAN | HAN1 | HAN2 | 120.5° | 120.0° |
| CAR | CAN | PAV | OAH | 77.8° | 175.0° |
| CAR | CAN | PAV | OAG | 168.5° | 65.0° |
| CAR | CAN | PAV | OAD | 44.6° | 55.0° |
| PAV | CAN | HAN1 | HAN2 | 120.5° | 120.0° |
| CAN | PAV | OAH | OAG | 113.2° | 120.0° |
| CAN | PAV | OAH | OAD | 122.2° | 120.0° |
| CAN | PAV | OAG | OAD | 122.4° | 120.0° |
| CAN | PAV | OAH | HAH | 104.2° | 180.0° |
| CAN | PAV | OAG | HAG | 78.0° | 60.0° |
| HAN1 | CAN | PAV | OAH | 42.9° | 55.0° |
| HAN1 | CAN | PAV | OAG | 70.8° | 175.0° |
| HAN1 | CAN | PAV | OAD | 165.3° | 65.0° |
| HAN2 | CAN | PAV | OAH | 162.1° | 65.1° |
| HAN2 | CAN | PAV | OAG | 48.5° | 55.0° |
| HAN2 | CAN | PAV | OAD | 75.4° | 175.0° |
| OAH | PAV | OAG | OAD | 123.3° | 119.9° |
| OAH | PAV | OAG | HAG | 167.8° | 60.0° |
| OAG | PAV | OAH | HAH | 9.0° | 59.9° |
| OAD | PAV | OAH | HAH | 133.6° | 60.0° |
| OAD | PAV | OAG | HAG | 44.4° | 179.9° |
