EIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAL | sing | 1.51Å | 1.56Å | |
| CAL | CAM | doub | 1.34Å | 1.41Å | |
| CAL | OAK | sing | 1.34Å | 1.44Å | |
| OAW | PAT | doub | 1.48Å | 1.52Å | |
| CAM | CAI | sing | 1.48Å | 1.41Å | |
| OAU | PAT | sing | 1.61Å | 1.58Å | |
| OAK | CAJ | sing | 1.35Å | 1.31Å | |
| PAT | OAV | sing | 1.61Å | 1.52Å | |
| PAT | OAS | sing | 1.61Å | 1.67Å | |
| CAI | CAJ | sing | 1.50Å | 1.39Å | |
| CAI | NAH | doub | 1.30Å | 1.38Å | |
| CAJ | OAN | doub | 1.21Å | 1.25Å | |
| CAR | OAS | sing | 1.43Å | 1.50Å | |
| CAR | CAA | sing | 1.51Å | 1.52Å | |
| NAH | CAG | sing | 1.46Å | 1.52Å | |
| CAG | CAF | sing | 1.51Å | 1.52Å | |
| CAA | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.41Å | Aromatic |
| CAB | NAC | doub | 1.32Å | 1.43Å | Aromatic |
| CAE | OAP | sing | 1.36Å | 1.38Å | |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| NAC | CAD | sing | 1.32Å | 1.33Å | Aromatic |
| CAD | CAQ | sing | 1.51Å | 1.53Å | |
| OAU | H1 | sing | 0.97Å | 0.95Å | |
| OAV | H2 | sing | 0.97Å | 0.95Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.08Å | 1.08Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| OAP | H9 | sing | 0.97Å | 0.95Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAL | CAM | 128.4° | 124.0° |
| CAO | CAL | OAK | 123.7° | 123.9° |
| CAL | CAO | H14 | 109.5° | 109.4° |
| CAL | CAO | H15 | 109.4° | 109.5° |
| CAL | CAO | H16 | 109.5° | 109.5° |
| CAM | CAL | OAK | 107.8° | 112.1° |
| CAL | CAM | CAI | 105.6° | 106.7° |
| CAL | CAM | H17 | 127.2° | 126.7° |
| CAL | OAK | CAJ | 106.7° | 111.5° |
| OAW | PAT | OAU | 109.9° | 109.5° |
| OAW | PAT | OAV | 115.2° | 109.5° |
| OAW | PAT | OAS | 107.7° | 109.5° |
| CAM | CAI | CAJ | 107.9° | 103.9° |
| CAM | CAI | NAH | 129.1° | 128.1° |
| CAI | CAM | H17 | 127.2° | 126.7° |
| OAU | PAT | OAV | 114.3° | 109.5° |
| OAU | PAT | OAS | 106.1° | 109.5° |
| PAT | OAU | H1 | 109.5° | 114.0° |
| OAK | CAJ | CAI | 111.6° | 105.9° |
| OAK | CAJ | OAN | 124.8° | 127.1° |
| OAV | PAT | OAS | 102.7° | 109.4° |
| PAT | OAV | H2 | 109.5° | 114.0° |
| PAT | OAS | CAR | 115.5° | 123.0° |
| CAJ | CAI | NAH | 122.9° | 128.0° |
| CAI | CAJ | OAN | 123.5° | 127.1° |
| CAI | NAH | CAG | 128.1° | 120.0° |
| OAS | CAR | CAA | 102.9° | 109.4° |
| OAS | CAR | H3 | 111.1° | 109.4° |
| OAS | CAR | H4 | 111.1° | 109.5° |
| CAR | CAA | CAF | 123.4° | 120.4° |
| CAR | CAA | CAB | 114.5° | 120.4° |
| CAA | CAR | H3 | 111.1° | 109.5° |
| CAA | CAR | H4 | 111.1° | 109.5° |
| NAH | CAG | CAF | 105.1° | 109.5° |
| NAH | CAG | H10 | 110.6° | 109.5° |
| NAH | CAG | H11 | 110.5° | 109.5° |
| CAG | CAF | CAA | 123.7° | 120.8° |
| CAG | CAF | CAE | 119.6° | 120.8° |
| CAF | CAG | H10 | 110.5° | 109.5° |
| CAF | CAG | H11 | 110.6° | 109.5° |
| CAF | CAA | CAB | 122.0° | 119.2° |
| CAA | CAF | CAE | 116.7° | 118.4° |
| CAA | CAB | NAC | 118.3° | 120.9° |
| CAA | CAB | H5 | 120.8° | 119.5° |
| CAF | CAE | OAP | 118.1° | 120.5° |
| CAF | CAE | CAD | 122.6° | 119.0° |
| CAB | NAC | CAD | 121.0° | 121.8° |
| NAC | CAB | H5 | 120.8° | 119.6° |
| OAP | CAE | CAD | 119.0° | 120.5° |
| CAE | OAP | H9 | 109.5° | 114.0° |
| CAE | CAD | NAC | 119.4° | 120.7° |
| CAE | CAD | CAQ | 123.9° | 119.7° |
| NAC | CAD | CAQ | 116.7° | 119.6° |
| CAD | CAQ | H6 | 109.5° | 109.4° |
| CAD | CAQ | H7 | 109.5° | 109.5° |
| CAD | CAQ | H8 | 109.4° | 109.5° |
| H3 | CAR | H4 | 109.5° | 109.5° |
| H6 | CAQ | H7 | 109.5° | 109.4° |
| H6 | CAQ | H8 | 109.5° | 109.5° |
| H7 | CAQ | H8 | 109.5° | 109.4° |
| H10 | CAG | H11 | 109.4° | 109.5° |
| H14 | CAO | H15 | 109.5° | 109.5° |
| H14 | CAO | H16 | 109.5° | 109.5° |
| H15 | CAO | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAL | CAM | OAK | 175.6° | 179.6° |
| CAO | CAL | CAM | CAI | 178.2° | 180.0° |
| CAO | CAL | OAK | CAJ | 178.9° | 179.8° |
| CAL | CAO | H14 | H15 | 120.0° | 120.0° |
| CAL | CAO | H14 | H16 | 120.0° | 120.0° |
| CAL | CAO | H15 | H16 | 120.0° | 120.0° |
| CAO | CAL | CAM | H17 | 1.8° | 0.4° |
| CAL | CAM | CAI | H17 | 180.0° | 179.6° |
| CAM | CAL | OAK | CAJ | 5.3° | 0.3° |
| CAL | CAM | CAI | CAJ | 0.8° | 0.4° |
| CAL | CAM | CAI | NAH | 176.8° | 179.9° |
| CAM | CAL | CAO | H14 | 174.9° | 90.0° |
| CAM | CAL | CAO | H15 | 54.9° | 150.0° |
| CAM | CAL | CAO | H16 | 65.1° | 30.0° |
| OAK | CAL | CAM | CAI | 2.6° | 0.4° |
| CAL | OAK | CAJ | CAI | 5.9° | 0.0° |
| CAL | OAK | CAJ | OAN | 176.5° | 180.0° |
| OAK | CAL | CAO | H14 | 0.0° | 90.5° |
| OAK | CAL | CAO | H15 | 120.0° | 29.5° |
| OAK | CAL | CAO | H16 | 120.0° | 149.6° |
| OAK | CAL | CAM | H17 | 177.4° | 180.0° |
| OAW | PAT | OAU | OAV | 131.4° | 120.0° |
| OAW | PAT | OAU | OAS | 116.2° | 120.0° |
| OAW | PAT | OAV | OAS | 116.8° | 120.0° |
| OAW | PAT | OAS | CAR | 45.1° | 54.9° |
| OAW | PAT | OAU | H1 | 0.0° | 60.0° |
| OAW | PAT | OAV | H2 | 0.0° | 180.0° |
| CAM | CAI | CAJ | OAK | 4.4° | 0.2° |
| CAM | CAI | CAJ | NAH | 176.3° | 179.7° |
| CAM | CAI | CAJ | OAN | 178.0° | 179.8° |
| CAM | CAI | NAH | CAG | 37.5° | 0.3° |
| OAU | PAT | OAV | OAS | 114.4° | 120.0° |
| OAU | PAT | OAS | CAR | 72.7° | 175.0° |
| OAU | PAT | OAV | H2 | 128.8° | 60.0° |
| OAK | CAJ | CAI | OAN | 177.6° | 180.0° |
| OAK | CAJ | CAI | NAH | 179.3° | 180.0° |
| OAV | PAT | OAS | CAR | 167.1° | 65.0° |
| OAV | PAT | OAU | H1 | 131.4° | 60.0° |
| PAT | OAS | CAR | CAA | 161.7° | 180.0° |
| OAS | PAT | OAU | H1 | 116.2° | 180.0° |
| OAS | PAT | OAV | H2 | 116.8° | 60.0° |
| PAT | OAS | CAR | H3 | 42.8° | 60.0° |
| PAT | OAS | CAR | H4 | 79.3° | 60.0° |
| CAJ | CAI | NAH | CAG | 147.0° | 179.9° |
| CAJ | CAI | CAM | H17 | 179.2° | 180.0° |
| NAH | CAI | CAJ | OAN | 1.7° | 0.0° |
| CAI | NAH | CAG | CAF | 164.4° | 115.0° |
| CAI | NAH | CAG | H10 | 45.1° | 5.0° |
| CAI | NAH | CAG | H11 | 76.3° | 125.0° |
| NAH | CAI | CAM | H17 | 3.2° | 0.3° |
| OAS | CAR | CAA | H3 | 118.9° | 119.9° |
| OAS | CAR | CAA | H4 | 118.9° | 120.0° |
| OAS | CAR | CAA | CAF | 69.0° | 180.0° |
| OAS | CAR | CAA | CAB | 113.4° | 0.3° |
| OAS | CAR | H3 | H4 | 123.0° | 120.0° |
| CAR | CAA | CAF | CAG | 2.1° | 0.0° |
| CAR | CAA | CAF | CAB | 177.5° | 179.7° |
| CAR | CAA | CAF | CAE | 178.4° | 179.8° |
| CAR | CAA | CAB | NAC | 177.3° | 180.0° |
| CAA | CAR | H3 | H4 | 123.0° | 120.0° |
| CAR | CAA | CAB | H5 | 2.7° | 0.0° |
| NAH | CAG | CAF | H10 | 119.3° | 120.0° |
| NAH | CAG | CAF | H11 | 119.3° | 120.0° |
| NAH | CAG | CAF | CAA | 126.4° | 90.0° |
| NAH | CAG | CAF | CAE | 54.1° | 89.8° |
| NAH | CAG | H10 | H11 | 122.0° | 120.0° |
| CAG | CAF | CAA | CAE | 179.5° | 179.8° |
| CAG | CAF | CAA | CAB | 179.6° | 179.7° |
| CAG | CAF | CAE | OAP | 6.7° | 0.0° |
| CAG | CAF | CAE | CAD | 179.9° | 179.7° |
| CAF | CAG | H10 | H11 | 122.0° | 120.0° |
| CAF | CAA | CAB | NAC | 0.4° | 0.3° |
| CAA | CAF | CAE | OAP | 172.8° | 179.8° |
| CAA | CAF | CAE | CAD | 0.4° | 0.5° |
| CAF | CAA | CAR | H3 | 50.0° | 60.1° |
| CAF | CAA | CAR | H4 | 172.1° | 60.0° |
| CAF | CAA | CAB | H5 | 179.6° | 179.7° |
| CAA | CAF | CAG | H10 | 7.0° | 150.0° |
| CAA | CAF | CAG | H11 | 114.3° | 30.0° |
| CAB | CAA | CAF | CAE | 0.9° | 0.5° |
| CAA | CAB | NAC | H5 | 180.0° | 179.9° |
| CAA | CAB | NAC | CAD | 2.5° | 0.0° |
| CAB | CAA | CAR | H3 | 127.7° | 119.7° |
| CAB | CAA | CAR | H4 | 5.6° | 120.3° |
| CAF | CAE | OAP | CAD | 173.5° | 179.7° |
| CAF | CAE | CAD | NAC | 1.6° | 0.2° |
| CAF | CAE | CAD | CAQ | 178.1° | 179.8° |
| CAF | CAE | OAP | H9 | 180.0° | 89.7° |
| CAE | CAF | CAG | H10 | 173.5° | 30.2° |
| CAE | CAF | CAG | H11 | 65.2° | 150.2° |
| CAB | NAC | CAD | CAE | 3.1° | 0.0° |
| CAB | NAC | CAD | CAQ | 176.7° | 180.0° |
| OAP | CAE | CAD | NAC | 174.8° | 180.0° |
| OAP | CAE | CAD | CAQ | 4.9° | 0.0° |
| CAE | CAD | NAC | CAQ | 179.8° | 180.0° |
| CAE | CAD | CAQ | H6 | 179.7° | 89.9° |
| CAE | CAD | CAQ | H7 | 59.7° | 30.0° |
| CAE | CAD | CAQ | H8 | 60.2° | 150.0° |
| CAD | CAE | OAP | H9 | 6.5° | 90.1° |
| CAD | NAC | CAB | H5 | 177.5° | 180.0° |
| NAC | CAD | CAQ | H6 | 0.0° | 90.0° |
| NAC | CAD | CAQ | H7 | 120.0° | 150.0° |
| NAC | CAD | CAQ | H8 | 120.0° | 30.0° |
| CAD | CAQ | H6 | H7 | 120.0° | 120.0° |
| CAD | CAQ | H6 | H8 | 120.0° | 120.0° |
| CAD | CAQ | H7 | H8 | 120.0° | 120.0° |
| H6 | CAQ | H7 | H8 | 120.0° | 120.0° |
| H14 | CAO | H15 | H16 | 120.0° | 120.0° |
