EUB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAT | CAS | trip | 1.14Å | 1.19Å | |
| CAS | CAP | sing | 1.43Å | 1.49Å | |
| CAQ | CAP | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAR | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.51Å | 1.39Å | |
| CAL | OAK | sing | 1.43Å | 1.45Å | |
| CAI | CAJ | doub | 1.37Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAE | sing | 1.41Å | 1.35Å | Aromatic |
| OAK | CAH | sing | 1.36Å | 1.38Å | |
| CAH | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | NAF | sing | 1.35Å | 1.35Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.37Å | Aromatic |
| NAF | CAB | doub | 1.29Å | 1.34Å | Aromatic |
| CAG | CAD | sing | 1.39Å | 1.34Å | Aromatic |
| CAD | SAC | sing | 1.76Å | 1.67Å | Aromatic |
| CAB | SAC | sing | 1.76Å | 1.68Å | Aromatic |
| CAB | NAA | sing | 1.38Å | 1.33Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| CAR | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAT | CAS | CAP | 179.6° | 180.0° |
| CAS | CAP | CAQ | 119.8° | 120.2° |
| CAS | CAP | CAO | 120.9° | 120.1° |
| CAP | CAQ | CAR | 122.1° | 119.8° |
| CAQ | CAP | CAO | 119.3° | 119.7° |
| CAP | CAQ | H10 | 118.9° | 120.1° |
| CAQ | CAR | CAM | 118.5° | 120.2° |
| CAR | CAQ | H10 | 118.9° | 120.1° |
| CAQ | CAR | H11 | 120.7° | 119.9° |
| CAP | CAO | CAN | 119.0° | 119.9° |
| CAP | CAO | H9 | 120.5° | 120.1° |
| CAR | CAM | CAN | 119.7° | 120.3° |
| CAR | CAM | CAL | 118.0° | 119.8° |
| CAM | CAR | H11 | 120.8° | 119.9° |
| CAO | CAN | CAM | 121.3° | 120.1° |
| CAO | CAN | H8 | 119.4° | 119.9° |
| CAN | CAO | H9 | 120.5° | 120.1° |
| CAN | CAM | CAL | 122.3° | 119.9° |
| CAM | CAN | H8 | 119.3° | 119.9° |
| CAM | CAL | OAK | 112.2° | 109.5° |
| CAM | CAL | H6 | 108.8° | 109.5° |
| CAM | CAL | H7 | 108.8° | 109.5° |
| CAL | OAK | CAH | 120.2° | 117.0° |
| OAK | CAL | H6 | 108.8° | 109.5° |
| OAK | CAL | H7 | 108.8° | 109.5° |
| CAJ | CAI | CAH | 118.9° | 120.6° |
| CAI | CAJ | CAE | 121.0° | 120.5° |
| CAI | CAJ | H4 | 119.5° | 119.7° |
| CAJ | CAI | H5 | 120.5° | 119.8° |
| CAI | CAH | OAK | 123.8° | 120.1° |
| CAI | CAH | CAG | 118.4° | 119.8° |
| CAH | CAI | H5 | 120.5° | 119.7° |
| CAJ | CAE | NAF | 126.8° | 128.6° |
| CAJ | CAE | CAD | 119.7° | 118.5° |
| CAE | CAJ | H4 | 119.5° | 119.8° |
| OAK | CAH | CAG | 117.8° | 120.1° |
| CAH | CAG | CAD | 120.3° | 120.2° |
| CAH | CAG | H1 | 119.9° | 119.9° |
| NAF | CAE | CAD | 113.6° | 112.9° |
| CAE | NAF | CAB | 114.1° | 117.9° |
| CAE | CAD | CAG | 121.7° | 120.4° |
| CAE | CAD | SAC | 108.9° | 108.5° |
| NAF | CAB | SAC | 109.6° | 110.4° |
| NAF | CAB | NAA | 124.3° | 124.8° |
| CAG | CAD | SAC | 129.4° | 131.1° |
| CAD | CAG | H1 | 119.9° | 119.9° |
| CAD | SAC | CAB | 93.8° | 90.5° |
| SAC | CAB | NAA | 126.0° | 124.8° |
| CAB | NAA | H2 | 109.5° | 120.0° |
| CAB | NAA | H3 | 109.5° | 120.0° |
| H2 | NAA | H3 | 109.5° | 120.0° |
| H6 | CAL | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAT | CAS | CAP | CAQ | 0.0° | 51.1° |
| NAT | CAS | CAP | CAO | 179.9° | 128.9° |
| CAS | CAP | CAQ | CAO | 179.9° | 180.0° |
| CAS | CAP | CAQ | CAR | 180.0° | 179.7° |
| CAS | CAP | CAO | CAN | 179.6° | 180.0° |
| CAS | CAP | CAO | H9 | 0.4° | 0.0° |
| CAS | CAP | CAQ | H10 | 0.1° | 0.1° |
| CAP | CAQ | CAR | H10 | 180.0° | 179.8° |
| CAP | CAQ | CAR | CAM | 0.2° | 0.5° |
| CAQ | CAP | CAO | CAN | 0.5° | 0.0° |
| CAQ | CAP | CAO | H9 | 179.5° | 180.0° |
| CAP | CAQ | CAR | H11 | 179.8° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.1° | 0.2° |
| CAQ | CAR | CAM | H11 | 180.0° | 179.5° |
| CAQ | CAR | CAM | CAN | 0.0° | 0.5° |
| CAQ | CAR | CAM | CAL | 179.7° | 179.8° |
| CAP | CAO | CAN | H9 | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 0.7° | 0.1° |
| CAP | CAO | CAN | H8 | 179.3° | 180.0° |
| CAO | CAP | CAQ | H10 | 179.9° | 180.0° |
| CAR | CAM | CAN | CAO | 0.4° | 0.3° |
| CAR | CAM | CAN | CAL | 179.6° | 179.7° |
| CAR | CAM | CAL | OAK | 173.6° | 90.3° |
| CAR | CAM | CAL | H6 | 66.0° | 149.7° |
| CAR | CAM | CAL | H7 | 53.2° | 29.7° |
| CAR | CAM | CAN | H8 | 179.5° | 179.7° |
| CAM | CAR | CAQ | H10 | 179.8° | 179.7° |
| CAO | CAN | CAM | H8 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 179.2° | 180.0° |
| CAN | CAM | CAL | OAK | 6.0° | 90.0° |
| CAN | CAM | CAL | H6 | 114.4° | 30.0° |
| CAN | CAM | CAL | H7 | 126.5° | 150.0° |
| CAM | CAN | CAO | H9 | 179.3° | 180.0° |
| CAN | CAM | CAR | H11 | 180.0° | 180.0° |
| CAM | CAL | OAK | H6 | 120.4° | 120.0° |
| CAM | CAL | OAK | H7 | 120.4° | 120.0° |
| CAM | CAL | OAK | CAH | 82.1° | 180.0° |
| CAM | CAL | H6 | H7 | 118.8° | 120.0° |
| CAL | CAM | CAN | H8 | 0.8° | 0.1° |
| CAL | CAM | CAR | H11 | 0.4° | 0.3° |
| CAL | OAK | CAH | CAI | 20.9° | 0.1° |
| CAL | OAK | CAH | CAG | 158.6° | 179.4° |
| OAK | CAL | H6 | H7 | 118.8° | 120.0° |
| CAJ | CAI | CAH | H5 | 180.0° | 179.7° |
| CAI | CAJ | CAE | H4 | 180.0° | 179.9° |
| CAJ | CAI | CAH | OAK | 179.6° | 179.9° |
| CAJ | CAI | CAH | CAG | 0.8° | 0.6° |
| CAI | CAJ | CAE | NAF | 179.9° | 179.9° |
| CAI | CAJ | CAE | CAD | 0.6° | 0.0° |
| CAH | CAI | CAJ | CAE | 0.8° | 0.3° |
| CAI | CAH | OAK | CAG | 179.6° | 179.4° |
| CAI | CAH | CAG | CAD | 0.7° | 0.6° |
| CAI | CAH | CAG | H1 | 179.3° | 179.7° |
| CAH | CAI | CAJ | H4 | 179.2° | 179.7° |
| CAJ | CAE | NAF | CAD | 179.5° | 179.9° |
| CAJ | CAE | NAF | CAB | 179.3° | 179.9° |
| CAJ | CAE | CAD | CAG | 0.5° | 0.0° |
| CAJ | CAE | CAD | SAC | 179.5° | 180.0° |
| CAE | CAJ | CAI | H5 | 179.2° | 179.9° |
| OAK | CAH | CAG | CAD | 179.7° | 180.0° |
| OAK | CAH | CAG | H1 | 0.3° | 0.3° |
| OAK | CAH | CAI | H5 | 0.4° | 0.2° |
| CAH | OAK | CAL | H6 | 157.5° | 59.9° |
| CAH | OAK | CAL | H7 | 38.3° | 60.0° |
| CAH | CAG | CAD | CAE | 0.5° | 0.2° |
| CAH | CAG | CAD | H1 | 180.0° | 179.7° |
| CAH | CAG | CAD | SAC | 179.5° | 179.8° |
| CAG | CAH | CAI | H5 | 179.2° | 179.7° |
| NAF | CAE | CAD | CAG | 180.0° | 180.0° |
| NAF | CAE | CAD | SAC | 0.0° | 0.0° |
| CAE | NAF | CAB | SAC | 0.3° | 0.0° |
| CAE | NAF | CAB | NAA | 179.6° | 180.0° |
| NAF | CAE | CAJ | H4 | 0.1° | 0.0° |
| CAD | CAE | NAF | CAB | 0.2° | 0.0° |
| CAE | CAD | CAG | SAC | 180.0° | 180.0° |
| CAE | CAD | SAC | CAB | 0.1° | 0.0° |
| CAE | CAD | CAG | H1 | 179.5° | 179.9° |
| CAD | CAE | CAJ | H4 | 179.4° | 179.9° |
| NAF | CAB | SAC | CAD | 0.2° | 0.0° |
| NAF | CAB | SAC | NAA | 179.3° | 180.0° |
| NAF | CAB | NAA | H2 | 0.0° | 180.0° |
| NAF | CAB | NAA | H3 | 120.0° | 0.0° |
| CAG | CAD | SAC | CAB | 179.9° | 180.0° |
| CAD | SAC | CAB | NAA | 179.6° | 180.0° |
| SAC | CAD | CAG | H1 | 0.5° | 0.1° |
| SAC | CAB | NAA | H2 | 179.2° | 0.1° |
| SAC | CAB | NAA | H3 | 59.2° | 180.0° |
| CAB | NAA | H2 | H3 | 120.0° | 179.9° |
| H4 | CAJ | CAI | H5 | 0.8° | 0.0° |
| H8 | CAN | CAO | H9 | 0.7° | 0.0° |
| H10 | CAQ | CAR | H11 | 0.2° | 0.2° |
