1EH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAM | doub | 1.22Å | 1.23Å | |
| CL | CAE | sing | 1.74Å | 1.73Å | |
| CAB | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | NAH | sing | 1.32Å | 1.35Å | Aromatic |
| CAD | CAA | sing | 1.51Å | 1.53Å | |
| CAD | NAG | sing | 1.47Å | 1.48Å | |
| CAA | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | NAG | sing | 1.35Å | 1.33Å | |
| CAM | CAL | sing | 1.46Å | 1.54Å | |
| NAH | CAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| SAK | CAL | sing | 1.76Å | 1.68Å | Aromatic |
| SAK | CAJ | sing | 1.76Å | 1.69Å | Aromatic |
| CAL | CAO | doub | 1.37Å | 1.34Å | Aromatic |
| CAO | CAN | sing | 1.37Å | 1.35Å | Aromatic |
| CAJ | CAV | sing | 1.47Å | 1.40Å | |
| CAJ | CAN | doub | 1.37Å | 1.34Å | Aromatic |
| CAY | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAR | sing | 1.43Å | 1.41Å | Aromatic |
| CAX | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAU | sing | 1.40Å | 1.36Å | Aromatic |
| CAR | CAQ | doub | 1.40Å | 1.41Å | Aromatic |
| CAT | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | CAW | doub | 1.34Å | 1.34Å | Aromatic |
| CAQ | SAS | sing | 1.76Å | 1.68Å | Aromatic |
| NBA | CAZ | sing | 1.35Å | 1.33Å | |
| CAW | SAS | sing | 1.76Å | 1.67Å | Aromatic |
| CAW | CAZ | sing | 1.47Å | 1.53Å | |
| CAZ | OBB | doub | 1.22Å | 1.23Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| NAG | H6 | sing | 0.97Å | 1.00Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAY | H9 | sing | 1.08Å | 1.08Å | |
| CAX | H10 | sing | 1.08Å | 1.08Å | |
| CAT | H11 | sing | 1.08Å | 1.08Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| NBA | H13 | sing | 0.97Å | 1.00Å | |
| NBA | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAM | NAG | 123.9° | 120.0° |
| OAP | CAM | CAL | 120.1° | 120.0° |
| CL | CAE | CAB | 119.8° | 119.7° |
| CL | CAE | NAH | 119.8° | 119.6° |
| CAE | CAB | CAA | 119.1° | 119.2° |
| CAB | CAE | NAH | 120.4° | 120.7° |
| CAE | CAB | H1 | 120.5° | 120.4° |
| CAB | CAA | CAD | 121.2° | 120.8° |
| CAB | CAA | CAC | 119.0° | 118.5° |
| CAA | CAB | H1 | 120.5° | 120.5° |
| CAE | NAH | CAF | 121.5° | 121.7° |
| CAA | CAD | NAG | 114.2° | 109.5° |
| CAD | CAA | CAC | 119.6° | 120.7° |
| CAA | CAD | H4 | 108.3° | 109.5° |
| CAA | CAD | H5 | 108.3° | 109.4° |
| CAD | NAG | CAM | 123.2° | 120.0° |
| NAG | CAD | H4 | 108.3° | 109.5° |
| NAG | CAD | H5 | 108.3° | 109.4° |
| CAD | NAG | H6 | 118.4° | 120.0° |
| CAA | CAC | CAF | 119.3° | 119.1° |
| CAA | CAC | H3 | 120.3° | 120.4° |
| NAG | CAM | CAL | 115.9° | 120.0° |
| CAM | NAG | H6 | 118.4° | 120.0° |
| CAM | CAL | SAK | 125.1° | 125.2° |
| CAM | CAL | CAO | 126.6° | 125.2° |
| NAH | CAF | CAC | 120.7° | 120.8° |
| NAH | CAF | H2 | 119.6° | 119.6° |
| CAC | CAF | H2 | 119.6° | 119.6° |
| CAF | CAC | H3 | 120.4° | 120.4° |
| CAL | SAK | CAJ | 95.3° | 91.1° |
| SAK | CAL | CAO | 108.2° | 109.6° |
| SAK | CAJ | CAV | 122.4° | 125.1° |
| SAK | CAJ | CAN | 106.6° | 109.7° |
| CAL | CAO | CAN | 114.1° | 114.8° |
| CAL | CAO | H7 | 123.0° | 122.6° |
| CAO | CAN | CAJ | 115.9° | 114.7° |
| CAN | CAO | H7 | 123.0° | 122.6° |
| CAO | CAN | H8 | 122.1° | 122.6° |
| CAV | CAJ | CAN | 131.0° | 125.2° |
| CAJ | CAV | CAY | 119.7° | 120.0° |
| CAJ | CAV | CAR | 120.3° | 120.0° |
| CAJ | CAN | H8 | 122.1° | 122.6° |
| CAV | CAY | CAX | 121.2° | 120.3° |
| CAY | CAV | CAR | 119.9° | 120.0° |
| CAV | CAY | H9 | 119.4° | 119.8° |
| CAY | CAX | CAT | 119.6° | 120.4° |
| CAX | CAY | H9 | 119.4° | 119.9° |
| CAY | CAX | H10 | 120.2° | 119.8° |
| CAV | CAR | CAU | 129.8° | 128.8° |
| CAV | CAR | CAQ | 118.0° | 118.5° |
| CAX | CAT | CAQ | 119.8° | 120.7° |
| CAT | CAX | H10 | 120.2° | 119.8° |
| CAX | CAT | H11 | 120.1° | 119.7° |
| CAU | CAR | CAQ | 112.1° | 112.7° |
| CAR | CAU | CAW | 116.1° | 115.6° |
| CAR | CAU | H12 | 122.0° | 122.2° |
| CAR | CAQ | CAT | 121.4° | 120.0° |
| CAR | CAQ | SAS | 107.4° | 109.5° |
| CAT | CAQ | SAS | 131.2° | 130.5° |
| CAQ | CAT | H11 | 120.1° | 119.6° |
| CAU | CAW | SAS | 108.9° | 110.6° |
| CAU | CAW | CAZ | 126.3° | 124.7° |
| CAW | CAU | H12 | 122.0° | 122.2° |
| CAQ | SAS | CAW | 95.5° | 91.6° |
| NBA | CAZ | CAW | 115.6° | 120.0° |
| NBA | CAZ | OBB | 123.8° | 120.0° |
| CAZ | NBA | H13 | 120.0° | 120.0° |
| CAZ | NBA | H14 | 120.0° | 120.0° |
| SAS | CAW | CAZ | 124.8° | 124.7° |
| CAW | CAZ | OBB | 120.6° | 120.0° |
| H4 | CAD | H5 | 109.5° | 109.5° |
| H13 | NBA | H14 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAM | NAG | CAD | 1.3° | 0.1° |
| OAP | CAM | NAG | CAL | 178.2° | 179.9° |
| OAP | CAM | CAL | SAK | 7.1° | 179.7° |
| OAP | CAM | CAL | CAO | 167.5° | 0.0° |
| OAP | CAM | NAG | H6 | 178.7° | 180.0° |
| CL | CAE | CAB | NAH | 179.9° | 180.0° |
| CL | CAE | CAB | CAA | 178.6° | 180.0° |
| CL | CAE | NAH | CAF | 179.7° | 180.0° |
| CL | CAE | CAB | H1 | 1.4° | 0.3° |
| CAE | CAB | CAA | H1 | 180.0° | 179.7° |
| CAE | CAB | CAA | CAD | 178.1° | 180.0° |
| CAE | CAB | CAA | CAC | 2.8° | 0.0° |
| CAB | CAE | NAH | CAF | 0.2° | 0.1° |
| CAA | CAB | CAE | NAH | 1.4° | 0.0° |
| CAB | CAA | CAD | CAC | 175.3° | 180.0° |
| CAB | CAA | CAD | NAG | 67.7° | 90.0° |
| CAB | CAA | CAC | CAF | 2.5° | 0.1° |
| CAB | CAA | CAC | H3 | 177.5° | 179.9° |
| CAB | CAA | CAD | H4 | 53.0° | 150.0° |
| CAB | CAA | CAD | H5 | 171.6° | 30.0° |
| CAE | NAH | CAF | CAC | 0.6° | 0.1° |
| NAH | CAE | CAB | H1 | 178.6° | 179.8° |
| CAE | NAH | CAF | H2 | 179.4° | 180.0° |
| CAA | CAD | NAG | H4 | 120.7° | 120.0° |
| CAA | CAD | NAG | H5 | 120.7° | 119.9° |
| CAA | CAD | NAG | CAM | 82.0° | 180.0° |
| CAD | CAA | CAC | CAF | 177.8° | 179.9° |
| CAD | CAA | CAB | H1 | 2.0° | 0.2° |
| CAD | CAA | CAC | H3 | 2.2° | 0.1° |
| CAA | CAD | H4 | H5 | 117.8° | 120.0° |
| CAA | CAD | NAG | H6 | 98.1° | 0.1° |
| NAG | CAD | CAA | CAC | 117.0° | 90.0° |
| CAD | NAG | CAM | H6 | 180.0° | 179.9° |
| CAD | NAG | CAM | CAL | 176.9° | 180.0° |
| NAG | CAD | H4 | H5 | 117.8° | 119.9° |
| CAA | CAC | CAF | NAH | 0.8° | 0.1° |
| CAA | CAC | CAF | H3 | 180.0° | 179.9° |
| CAC | CAA | CAB | H1 | 177.3° | 179.8° |
| CAA | CAC | CAF | H2 | 179.2° | 180.0° |
| CAC | CAA | CAD | H4 | 122.3° | 30.0° |
| CAC | CAA | CAD | H5 | 3.7° | 150.1° |
| NAG | CAM | CAL | SAK | 174.7° | 0.4° |
| NAG | CAM | CAL | CAO | 10.8° | 180.0° |
| CAM | NAG | CAD | H4 | 38.8° | 60.0° |
| CAM | NAG | CAD | H5 | 157.4° | 60.1° |
| CAM | CAL | SAK | CAO | 175.4° | 179.7° |
| CAM | CAL | SAK | CAJ | 176.5° | 180.0° |
| CAM | CAL | CAO | CAN | 177.2° | 179.9° |
| CAL | CAM | NAG | H6 | 3.1° | 0.1° |
| CAM | CAL | CAO | H7 | 2.8° | 0.0° |
| NAH | CAF | CAC | H2 | 180.0° | 179.9° |
| NAH | CAF | CAC | H3 | 179.2° | 180.0° |
| SAK | CAL | CAO | CAN | 1.9° | 0.2° |
| CAL | SAK | CAJ | CAV | 179.2° | 180.0° |
| CAL | SAK | CAJ | CAN | 0.1° | 0.2° |
| SAK | CAL | CAO | H7 | 178.1° | 179.7° |
| CAJ | SAK | CAL | CAO | 1.2° | 0.3° |
| SAK | CAJ | CAN | CAO | 1.0° | 0.1° |
| SAK | CAJ | CAV | CAN | 179.1° | 179.8° |
| SAK | CAJ | CAV | CAY | 31.0° | 130.3° |
| SAK | CAJ | CAV | CAR | 145.6° | 50.0° |
| SAK | CAJ | CAN | H8 | 179.0° | 179.8° |
| CAL | CAO | CAN | H7 | 180.0° | 179.9° |
| CAL | CAO | CAN | CAJ | 2.0° | 0.1° |
| CAL | CAO | CAN | H8 | 178.0° | 180.0° |
| CAO | CAN | CAJ | CAV | 179.8° | 179.9° |
| CAO | CAN | CAJ | H8 | 180.0° | 179.9° |
| CAJ | CAV | CAY | CAR | 176.7° | 179.7° |
| CAJ | CAV | CAY | CAX | 179.0° | 180.0° |
| CAJ | CAV | CAR | CAU | 3.1° | 0.0° |
| CAJ | CAV | CAR | CAQ | 178.4° | 179.7° |
| CAV | CAJ | CAN | H8 | 0.2° | 0.0° |
| CAJ | CAV | CAY | H9 | 1.0° | 0.0° |
| CAN | CAJ | CAV | CAY | 148.1° | 49.5° |
| CAN | CAJ | CAV | CAR | 35.3° | 130.3° |
| CAJ | CAN | CAO | H7 | 178.0° | 179.9° |
| CAV | CAY | CAX | H9 | 180.0° | 180.0° |
| CAV | CAY | CAX | CAT | 1.7° | 0.0° |
| CAY | CAV | CAR | CAU | 179.8° | 179.8° |
| CAY | CAV | CAR | CAQ | 1.8° | 0.5° |
| CAV | CAY | CAX | H10 | 178.3° | 180.0° |
| CAX | CAY | CAV | CAR | 2.3° | 0.2° |
| CAY | CAX | CAT | H10 | 180.0° | 180.0° |
| CAY | CAX | CAT | CAQ | 0.6° | 0.0° |
| CAY | CAX | CAT | H11 | 179.4° | 179.9° |
| CAV | CAR | CAU | CAQ | 178.6° | 179.7° |
| CAV | CAR | CAQ | CAT | 0.7° | 0.5° |
| CAV | CAR | CAU | CAW | 178.5° | 179.2° |
| CAV | CAR | CAQ | SAS | 178.6° | 179.7° |
| CAR | CAV | CAY | H9 | 177.7° | 179.8° |
| CAV | CAR | CAU | H12 | 1.5° | 0.1° |
| CAX | CAT | CAQ | CAR | 0.1° | 0.3° |
| CAX | CAT | CAQ | H11 | 180.0° | 179.9° |
| CAX | CAT | CAQ | SAS | 178.9° | 180.0° |
| CAT | CAX | CAY | H9 | 178.3° | 180.0° |
| CAU | CAR | CAQ | CAT | 179.4° | 179.7° |
| CAR | CAU | CAW | H12 | 180.0° | 179.2° |
| CAU | CAR | CAQ | SAS | 0.2° | 0.1° |
| CAR | CAU | CAW | SAS | 0.1° | 0.8° |
| CAR | CAU | CAW | CAZ | 179.3° | 180.0° |
| CAR | CAQ | CAT | SAS | 179.0° | 179.7° |
| CAQ | CAR | CAU | CAW | 0.1° | 0.6° |
| CAR | CAQ | SAS | CAW | 0.2° | 0.3° |
| CAR | CAQ | CAT | H11 | 179.9° | 179.8° |
| CAQ | CAR | CAU | H12 | 179.9° | 179.8° |
| CAT | CAQ | SAS | CAW | 179.3° | 180.0° |
| CAQ | CAT | CAX | H10 | 179.5° | 179.9° |
| CAU | CAW | SAS | CAQ | 0.2° | 0.6° |
| CAU | CAW | CAZ | NBA | 10.3° | 180.0° |
| CAU | CAW | SAS | CAZ | 179.3° | 179.2° |
| CAU | CAW | CAZ | OBB | 169.2° | 0.0° |
| CAQ | SAS | CAW | CAZ | 179.4° | 179.8° |
| SAS | CAQ | CAT | H11 | 1.1° | 0.1° |
| NBA | CAZ | CAW | SAS | 170.5° | 0.9° |
| NBA | CAZ | CAW | OBB | 179.5° | 179.9° |
| CAZ | NBA | H13 | H14 | 180.0° | 179.9° |
| SAS | CAW | CAZ | OBB | 10.0° | 179.0° |
| SAS | CAW | CAU | H12 | 179.9° | 180.0° |
| CAZ | CAW | CAU | H12 | 0.7° | 0.8° |
| CAW | CAZ | NBA | H13 | 179.4° | 0.1° |
| CAW | CAZ | NBA | H14 | 0.5° | 180.0° |
| OBB | CAZ | NBA | H13 | 0.0° | 180.0° |
| OBB | CAZ | NBA | H14 | 180.0° | 0.1° |
| H2 | CAF | CAC | H3 | 0.8° | 0.1° |
| H4 | CAD | NAG | H6 | 141.2° | 120.0° |
| H5 | CAD | NAG | H6 | 22.6° | 120.0° |
| H7 | CAO | CAN | H8 | 2.0° | 0.1° |
| H9 | CAY | CAX | H10 | 1.7° | 0.0° |
| H10 | CAX | CAT | H11 | 0.6° | 0.0° |
