E1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAO | CAL | sing | 1.39Å | 1.33Å | |
| CAJ | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAK | doub | 1.41Å | 1.38Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.40Å | |
| CAN | CAA | sing | 1.53Å | 1.51Å | |
| CAK | CAF | sing | 1.42Å | 1.39Å | Aromatic |
| CAM | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.53Å | 1.51Å | |
| CAH | CLA | sing | 1.74Å | 1.71Å | |
| CAH | CAG | doub | 1.36Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | NAE | doub | 1.33Å | 1.36Å | Aromatic |
| CAD | NAE | sing | 1.32Å | 1.35Å | Aromatic |
| CAD | CAC | sing | 1.51Å | 1.40Å | |
| NAE | CAP | sing | 1.46Å | 1.48Å | |
| CAB | CAC | sing | 1.53Å | 1.51Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| NAO | H15 | sing | 0.97Å | 1.00Å | |
| NAO | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAO | CAL | CAK | 119.4° | 120.8° |
| NAO | CAL | CAM | 118.8° | 120.8° |
| CAL | NAO | H15 | 109.5° | 120.0° |
| CAL | NAO | H16 | 109.5° | 120.0° |
| CAI | CAJ | CAK | 119.8° | 119.7° |
| CAJ | CAI | CAH | 119.5° | 120.8° |
| CAJ | CAI | H8 | 120.3° | 119.7° |
| CAI | CAJ | H9 | 120.1° | 120.1° |
| CAJ | CAK | CAL | 120.0° | 121.7° |
| CAJ | CAK | CAF | 121.6° | 119.8° |
| CAK | CAJ | H9 | 120.1° | 120.2° |
| CAK | CAL | CAM | 121.8° | 118.5° |
| CAL | CAK | CAF | 118.5° | 118.6° |
| CAL | CAM | CAN | 117.9° | 117.6° |
| CAL | CAM | CAD | 118.0° | 119.7° |
| CAI | CAH | CLA | 117.6° | 119.5° |
| CAI | CAH | CAG | 120.8° | 121.0° |
| CAH | CAI | H8 | 120.2° | 119.6° |
| CAM | CAN | CAA | 110.9° | 110.6° |
| CAN | CAM | CAD | 124.1° | 122.7° |
| CAM | CAN | H10 | 109.1° | 109.2° |
| CAM | CAN | H11 | 109.1° | 109.3° |
| CAN | CAA | CAB | 107.2° | 108.3° |
| CAN | CAA | H1 | 110.0° | 109.7° |
| CAN | CAA | H2 | 110.0° | 109.7° |
| CAA | CAN | H10 | 109.1° | 109.3° |
| CAA | CAN | H11 | 109.1° | 109.2° |
| CAK | CAF | CAG | 118.7° | 119.0° |
| CAK | CAF | NAE | 119.9° | 119.8° |
| CAM | CAD | NAE | 120.0° | 121.0° |
| CAM | CAD | CAC | 121.5° | 122.1° |
| CAA | CAB | CAC | 108.0° | 108.5° |
| CAB | CAA | H1 | 110.0° | 109.7° |
| CAB | CAA | H2 | 110.0° | 109.7° |
| CAA | CAB | H3 | 109.8° | 109.7° |
| CAA | CAB | H4 | 109.8° | 109.7° |
| CLA | CAH | CAG | 121.6° | 119.5° |
| CAH | CAG | CAF | 119.7° | 119.8° |
| CAH | CAG | H7 | 120.2° | 120.1° |
| CAG | CAF | NAE | 121.4° | 121.2° |
| CAF | CAG | H7 | 120.1° | 120.1° |
| CAF | NAE | CAD | 121.9° | 122.6° |
| CAF | NAE | CAP | 119.3° | 118.7° |
| NAE | CAD | CAC | 118.5° | 117.0° |
| CAD | NAE | CAP | 118.8° | 118.7° |
| CAD | CAC | CAB | 111.7° | 110.6° |
| CAD | CAC | H5 | 108.9° | 109.2° |
| CAD | CAC | H6 | 108.9° | 109.2° |
| NAE | CAP | H12 | 109.5° | 109.4° |
| NAE | CAP | H13 | 109.5° | 109.5° |
| NAE | CAP | H14 | 109.5° | 109.5° |
| CAC | CAB | H3 | 109.8° | 109.6° |
| CAC | CAB | H4 | 109.9° | 109.6° |
| CAB | CAC | H5 | 108.9° | 109.3° |
| CAB | CAC | H6 | 108.9° | 109.3° |
| H1 | CAA | H2 | 109.5° | 109.7° |
| H3 | CAB | H4 | 109.5° | 109.8° |
| H5 | CAC | H6 | 109.5° | 109.2° |
| H10 | CAN | H11 | 109.5° | 109.2° |
| H12 | CAP | H13 | 109.4° | 109.5° |
| H12 | CAP | H14 | 109.5° | 109.5° |
| H13 | CAP | H14 | 109.5° | 109.5° |
| H15 | NAO | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAO | CAL | CAK | CAJ | 0.6° | 0.0° |
| NAO | CAL | CAK | CAM | 179.6° | 180.0° |
| NAO | CAL | CAM | CAN | 0.2° | 0.6° |
| NAO | CAL | CAK | CAF | 179.7° | 180.0° |
| NAO | CAL | CAM | CAD | 179.1° | 179.8° |
| CAL | NAO | H15 | H16 | 120.0° | 180.0° |
| CAI | CAJ | CAK | H9 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 179.9° | 179.9° |
| CAJ | CAI | CAH | H8 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAF | 0.2° | 0.1° |
| CAJ | CAI | CAH | CLA | 179.8° | 180.0° |
| CAJ | CAI | CAH | CAG | 0.2° | 0.0° |
| CAJ | CAK | CAL | CAF | 179.7° | 180.0° |
| CAJ | CAK | CAL | CAM | 179.8° | 180.0° |
| CAK | CAJ | CAI | CAH | 0.2° | 0.0° |
| CAJ | CAK | CAF | CAG | 0.1° | 0.2° |
| CAJ | CAK | CAF | NAE | 179.9° | 179.8° |
| CAK | CAJ | CAI | H8 | 179.8° | 179.9° |
| CAK | CAL | CAM | CAN | 179.4° | 179.4° |
| CAK | CAL | CAM | CAD | 0.6° | 0.2° |
| CAL | CAK | CAF | CAG | 179.5° | 179.9° |
| CAL | CAK | CAF | NAE | 0.4° | 0.2° |
| CAL | CAK | CAJ | H9 | 0.1° | 0.1° |
| CAK | CAL | NAO | H15 | 180.0° | 0.0° |
| CAK | CAL | NAO | H16 | 60.0° | 180.0° |
| CAL | CAM | CAN | CAD | 178.7° | 179.6° |
| CAL | CAM | CAN | CAA | 162.2° | 162.7° |
| CAM | CAL | CAK | CAF | 0.1° | 0.0° |
| CAL | CAM | CAD | NAE | 1.0° | 0.3° |
| CAL | CAM | CAD | CAC | 179.5° | 179.5° |
| CAL | CAM | CAN | H10 | 42.0° | 42.4° |
| CAL | CAM | CAN | H11 | 77.6° | 77.0° |
| CAM | CAL | NAO | H15 | 0.4° | 180.0° |
| CAM | CAL | NAO | H16 | 120.4° | 0.0° |
| CAI | CAH | CLA | CAG | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 0.6° | 0.0° |
| CAI | CAH | CAG | H7 | 179.4° | 180.0° |
| CAH | CAI | CAJ | H9 | 179.8° | 180.0° |
| CAM | CAN | CAA | H10 | 120.2° | 120.3° |
| CAM | CAN | CAA | H11 | 120.2° | 120.3° |
| CAM | CAN | CAA | CAB | 51.3° | 51.0° |
| CAN | CAM | CAD | NAE | 179.7° | 179.3° |
| CAN | CAM | CAD | CAC | 1.8° | 0.9° |
| CAM | CAN | CAA | H1 | 68.4° | 68.7° |
| CAM | CAN | CAA | H2 | 170.9° | 170.7° |
| CAM | CAN | H10 | H11 | 119.4° | 119.4° |
| CAA | CAN | CAM | CAD | 19.1° | 17.7° |
| CAN | CAA | CAB | H1 | 119.7° | 119.7° |
| CAN | CAA | CAB | H2 | 119.7° | 119.7° |
| CAN | CAA | CAB | CAC | 68.4° | 70.1° |
| CAN | CAA | H1 | H2 | 121.0° | 120.5° |
| CAN | CAA | CAB | H3 | 171.9° | 49.6° |
| CAN | CAA | CAB | H4 | 51.4° | 170.2° |
| CAA | CAN | H10 | H11 | 119.4° | 119.4° |
| CAK | CAF | CAG | CAH | 0.5° | 0.1° |
| CAK | CAF | CAG | NAE | 179.9° | 180.0° |
| CAK | CAF | NAE | CAD | 0.0° | 0.1° |
| CAK | CAF | NAE | CAP | 180.0° | 179.9° |
| CAK | CAF | CAG | H7 | 179.5° | 179.9° |
| CAF | CAK | CAJ | H9 | 179.8° | 179.9° |
| CAM | CAD | NAE | CAF | 0.7° | 0.1° |
| CAM | CAD | NAE | CAC | 178.6° | 179.8° |
| CAM | CAD | NAE | CAP | 179.3° | 179.9° |
| CAM | CAD | CAC | CAB | 18.0° | 18.2° |
| CAM | CAD | CAC | H5 | 138.4° | 138.5° |
| CAM | CAD | CAC | H6 | 102.3° | 102.1° |
| CAD | CAM | CAN | H10 | 139.3° | 138.0° |
| CAD | CAM | CAN | H11 | 101.1° | 102.6° |
| CAA | CAB | CAC | CAD | 50.9° | 51.6° |
| CAA | CAB | CAC | H3 | 119.8° | 119.8° |
| CAA | CAB | CAC | H4 | 119.8° | 119.7° |
| CAB | CAA | H1 | H2 | 121.0° | 120.6° |
| CAA | CAB | H3 | H4 | 120.7° | 120.6° |
| CAA | CAB | CAC | H5 | 171.3° | 171.9° |
| CAA | CAB | CAC | H6 | 69.4° | 68.6° |
| CAB | CAA | CAN | H10 | 171.5° | 171.3° |
| CAB | CAA | CAN | H11 | 68.9° | 69.3° |
| CLA | CAH | CAG | CAF | 179.4° | 180.0° |
| CLA | CAH | CAG | H7 | 0.6° | 0.0° |
| CLA | CAH | CAI | H8 | 0.2° | 0.0° |
| CAH | CAG | CAF | H7 | 180.0° | 180.0° |
| CAH | CAG | CAF | NAE | 179.5° | 179.9° |
| CAG | CAH | CAI | H8 | 179.8° | 180.0° |
| CAG | CAF | NAE | CAD | 179.9° | 179.9° |
| CAG | CAF | NAE | CAP | 0.1° | 0.1° |
| CAF | NAE | CAD | CAP | 180.0° | 180.0° |
| CAF | NAE | CAD | CAC | 179.3° | 179.7° |
| NAE | CAF | CAG | H7 | 0.5° | 0.1° |
| CAF | NAE | CAP | H12 | 180.0° | 95.3° |
| CAF | NAE | CAP | H13 | 60.0° | 24.7° |
| CAF | NAE | CAP | H14 | 60.0° | 144.7° |
| NAE | CAD | CAC | CAB | 163.4° | 162.0° |
| NAE | CAD | CAC | H5 | 43.1° | 41.7° |
| NAE | CAD | CAC | H6 | 76.2° | 77.7° |
| CAD | NAE | CAP | H12 | 0.0° | 84.7° |
| CAD | NAE | CAP | H13 | 120.0° | 155.3° |
| CAD | NAE | CAP | H14 | 120.0° | 35.3° |
| CAC | CAD | NAE | CAP | 0.8° | 0.3° |
| CAD | CAC | CAB | H5 | 120.3° | 120.3° |
| CAD | CAC | CAB | H6 | 120.3° | 120.2° |
| CAD | CAC | CAB | H3 | 170.7° | 68.2° |
| CAD | CAC | CAB | H4 | 68.8° | 171.3° |
| CAD | CAC | H5 | H6 | 119.0° | 119.4° |
| NAE | CAP | H12 | H13 | 120.0° | 120.0° |
| NAE | CAP | H12 | H14 | 120.0° | 120.1° |
| NAE | CAP | H13 | H14 | 120.0° | 120.1° |
| CAC | CAB | CAA | H1 | 51.3° | 49.6° |
| CAC | CAB | CAA | H2 | 172.0° | 170.2° |
| CAC | CAB | H3 | H4 | 120.7° | 120.4° |
| CAB | CAC | H5 | H6 | 119.0° | 119.5° |
| H1 | CAA | CAB | H3 | 68.5° | 169.3° |
| H1 | CAA | CAB | H4 | 171.1° | 70.1° |
| H1 | CAA | CAN | H10 | 51.8° | 51.6° |
| H1 | CAA | CAN | H11 | 171.4° | 171.0° |
| H2 | CAA | CAB | H3 | 52.2° | 70.1° |
| H2 | CAA | CAB | H4 | 68.2° | 50.5° |
| H2 | CAA | CAN | H10 | 68.9° | 69.0° |
| H2 | CAA | CAN | H11 | 50.7° | 50.4° |
| H3 | CAB | CAC | H5 | 69.0° | 52.1° |
| H3 | CAB | CAC | H6 | 50.4° | 171.6° |
| H4 | CAB | CAC | H5 | 51.5° | 68.4° |
| H4 | CAB | CAC | H6 | 170.8° | 51.1° |
| H8 | CAI | CAJ | H9 | 0.2° | 0.0° |
| H12 | CAP | H13 | H14 | 120.0° | 120.0° |
