A1ELG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| FAF | CBC | sing | 1.40Å | 1.33Å | |
| CAL | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | CAZ | doub | 1.40Å | 1.42Å | Aromatic |
| CBC | FAE | sing | 1.40Å | 1.32Å | |
| CBC | OAT | sing | 1.43Å | 1.42Å | |
| CBC | FAG | sing | 1.40Å | 1.34Å | |
| CAY | OAT | sing | 1.36Å | 1.36Å | |
| CAY | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAO | sing | 1.40Å | 1.41Å | Aromatic |
| CAZ | CAV | sing | 1.48Å | 1.39Å | |
| NAR | CAV | sing | 1.35Å | 1.36Å | |
| NAR | CBA | sing | 1.39Å | 1.33Å | |
| CAV | OAB | doub | 1.22Å | 1.23Å | |
| NAP | CBA | doub | 1.30Å | 1.34Å | Aromatic |
| NAP | NAQ | sing | 1.26Å | 1.16Å | Aromatic |
| CBA | SAU | sing | 1.77Å | 1.71Å | Aromatic |
| NAQ | CBB | doub | 1.29Å | 1.33Å | Aromatic |
| SAU | CBB | sing | 1.77Å | 1.68Å | Aromatic |
| CBB | SBD | sing | 1.76Å | 1.73Å | |
| OAD | SBD | doub | 1.42Å | 1.53Å | |
| SBD | NAS | sing | 1.66Å | 1.64Å | |
| SBD | OAC | doub | 1.42Å | 1.53Å | |
| CAK | CAX | doub | 1.39Å | 1.42Å | Aromatic |
| CAK | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| NAS | CAX | sing | 1.40Å | 1.35Å | |
| CAX | CAN | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAN | CAW | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAA | sing | 1.51Å | 1.41Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.08Å | 1.08Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| NAS | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAI | CAM | 119.0° | 120.2° |
| CAI | CAL | CAY | 120.6° | 120.2° |
| CAL | CAI | H5 | 120.5° | 119.9° |
| CAI | CAL | H8 | 119.7° | 119.9° |
| CAI | CAM | CAZ | 121.5° | 120.0° |
| CAM | CAI | H5 | 120.5° | 119.9° |
| CAI | CAM | H9 | 119.3° | 120.0° |
| FAF | CBC | FAE | 110.3° | 109.5° |
| FAF | CBC | OAT | 109.6° | 109.5° |
| FAF | CBC | FAG | 111.4° | 109.5° |
| CAL | CAY | OAT | 117.9° | 120.0° |
| CAL | CAY | CAO | 119.8° | 120.1° |
| CAY | CAL | H8 | 119.7° | 119.9° |
| CAM | CAZ | CAO | 118.2° | 119.8° |
| CAM | CAZ | CAV | 120.3° | 120.1° |
| CAZ | CAM | H9 | 119.3° | 120.0° |
| FAE | CBC | OAT | 105.4° | 109.5° |
| FAE | CBC | FAG | 110.3° | 109.5° |
| OAT | CBC | FAG | 109.7° | 109.5° |
| CBC | OAT | CAY | 124.8° | 117.0° |
| OAT | CAY | CAO | 122.3° | 120.0° |
| CAY | CAO | CAZ | 120.9° | 119.7° |
| CAY | CAO | H11 | 119.6° | 120.1° |
| CAO | CAZ | CAV | 121.0° | 120.1° |
| CAZ | CAO | H11 | 119.5° | 120.1° |
| CAZ | CAV | NAR | 119.1° | 120.0° |
| CAZ | CAV | OAB | 115.3° | 120.0° |
| CAV | NAR | CBA | 122.8° | 120.0° |
| NAR | CAV | OAB | 125.4° | 120.0° |
| CAV | NAR | H12 | 118.6° | 120.0° |
| NAR | CBA | NAP | 127.7° | 126.2° |
| NAR | CBA | SAU | 123.6° | 126.2° |
| CBA | NAR | H12 | 118.6° | 120.0° |
| CBA | NAP | NAQ | 117.2° | 117.6° |
| NAP | CBA | SAU | 108.2° | 107.7° |
| NAP | NAQ | CBB | 115.9° | 118.0° |
| CBA | SAU | CBB | 88.0° | 88.9° |
| NAQ | CBB | SAU | 110.6° | 107.8° |
| NAQ | CBB | SBD | 123.6° | 126.1° |
| SAU | CBB | SBD | 125.8° | 126.1° |
| CBB | SBD | OAD | 106.6° | 106.5° |
| CBB | SBD | NAS | 111.7° | 107.2° |
| CBB | SBD | OAC | 105.4° | 106.4° |
| OAD | SBD | NAS | 110.3° | 106.4° |
| OAD | SBD | OAC | 111.1° | 123.1° |
| NAS | SBD | OAC | 111.5° | 106.4° |
| SBD | NAS | CAX | 120.5° | 120.0° |
| SBD | NAS | H13 | 106.6° | 120.1° |
| CAX | CAK | CAH | 120.1° | 120.0° |
| CAK | CAX | NAS | 124.9° | 120.1° |
| CAK | CAX | CAN | 120.2° | 119.8° |
| CAX | CAK | H7 | 120.0° | 120.0° |
| CAK | CAH | CAJ | 119.3° | 120.1° |
| CAK | CAH | H4 | 120.3° | 120.0° |
| CAH | CAK | H7 | 120.0° | 120.0° |
| NAS | CAX | CAN | 114.8° | 120.1° |
| CAX | NAS | H13 | 106.7° | 120.0° |
| CAX | CAN | CAW | 119.5° | 120.0° |
| CAX | CAN | H10 | 120.3° | 120.0° |
| CAH | CAJ | CAW | 120.8° | 120.2° |
| CAJ | CAH | H4 | 120.4° | 120.0° |
| CAH | CAJ | H6 | 119.6° | 119.9° |
| CAN | CAW | CAJ | 120.1° | 120.1° |
| CAN | CAW | CAA | 118.3° | 120.0° |
| CAW | CAN | H10 | 120.3° | 120.0° |
| CAJ | CAW | CAA | 121.6° | 120.0° |
| CAW | CAJ | H6 | 119.6° | 119.9° |
| CAW | CAA | H1 | 109.5° | 109.5° |
| CAW | CAA | H2 | 109.5° | 109.5° |
| CAW | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAI | CAM | H5 | 180.0° | 179.7° |
| CAI | CAL | CAY | H8 | 180.0° | 179.9° |
| CAL | CAI | CAM | CAZ | 1.9° | 0.0° |
| CAI | CAL | CAY | OAT | 179.2° | 180.0° |
| CAI | CAL | CAY | CAO | 0.6° | 0.1° |
| CAL | CAI | CAM | H9 | 178.1° | 180.0° |
| CAM | CAI | CAL | CAY | 0.6° | 0.0° |
| CAI | CAM | CAZ | H9 | 180.0° | 179.9° |
| CAI | CAM | CAZ | CAO | 4.3° | 0.0° |
| CAI | CAM | CAZ | CAV | 176.0° | 180.0° |
| CAM | CAI | CAL | H8 | 179.4° | 180.0° |
| FAF | CBC | FAE | OAT | 118.2° | 120.0° |
| FAF | CBC | FAE | FAG | 123.4° | 120.0° |
| FAF | CBC | OAT | FAG | 122.6° | 120.0° |
| FAF | CBC | OAT | CAY | 67.4° | 60.0° |
| CAL | CAY | OAT | CBC | 65.7° | 0.1° |
| CAL | CAY | OAT | CAO | 179.8° | 180.0° |
| CAL | CAY | CAO | CAZ | 2.0° | 0.0° |
| CAY | CAL | CAI | H5 | 179.4° | 179.8° |
| CAL | CAY | CAO | H11 | 178.1° | 180.0° |
| CAM | CAZ | CAO | CAY | 4.3° | 0.0° |
| CAM | CAZ | CAO | CAV | 171.6° | 180.0° |
| CAM | CAZ | CAV | NAR | 22.1° | 0.1° |
| CAM | CAZ | CAV | OAB | 152.5° | 180.0° |
| CAZ | CAM | CAI | H5 | 178.2° | 179.7° |
| CAM | CAZ | CAO | H11 | 175.7° | 179.9° |
| FAE | CBC | OAT | FAG | 118.8° | 120.0° |
| FAE | CBC | OAT | CAY | 51.3° | 60.0° |
| CBC | OAT | CAY | CAO | 114.6° | 180.0° |
| FAG | CBC | OAT | CAY | 170.0° | 180.0° |
| OAT | CAY | CAO | CAZ | 178.3° | 180.0° |
| OAT | CAY | CAL | H8 | 0.8° | 0.1° |
| OAT | CAY | CAO | H11 | 1.7° | 0.1° |
| CAY | CAO | CAZ | H11 | 180.0° | 179.9° |
| CAY | CAO | CAZ | CAV | 175.9° | 180.0° |
| CAO | CAY | CAL | H8 | 179.4° | 180.0° |
| CAO | CAZ | CAV | NAR | 166.4° | 180.0° |
| CAO | CAZ | CAV | OAB | 19.0° | 0.0° |
| CAO | CAZ | CAM | H9 | 175.7° | 180.0° |
| CAZ | CAV | NAR | OAB | 174.0° | 179.9° |
| CAZ | CAV | NAR | CBA | 172.1° | 180.0° |
| CAV | CAZ | CAM | H9 | 4.0° | 0.1° |
| CAV | CAZ | CAO | H11 | 4.1° | 0.0° |
| CAZ | CAV | NAR | H12 | 7.9° | 0.1° |
| CAV | NAR | CBA | H12 | 180.0° | 179.9° |
| CAV | NAR | CBA | NAP | 172.9° | 0.2° |
| CAV | NAR | CBA | SAU | 1.9° | 180.0° |
| CBA | NAR | CAV | OAB | 1.9° | 0.1° |
| NAR | CBA | NAP | SAU | 172.1° | 179.8° |
| NAR | CBA | NAP | NAQ | 175.0° | 179.8° |
| NAR | CBA | SAU | CBB | 174.6° | 179.8° |
| OAB | CAV | NAR | H12 | 178.1° | 180.0° |
| CBA | NAP | NAQ | CBB | 2.1° | 0.0° |
| NAP | CBA | SAU | CBB | 2.1° | 0.0° |
| NAP | CBA | NAR | H12 | 7.1° | 179.7° |
| NAQ | NAP | CBA | SAU | 2.9° | 0.0° |
| NAP | NAQ | CBB | SAU | 0.2° | 0.0° |
| NAP | NAQ | CBB | SBD | 177.6° | 179.9° |
| CBA | SAU | CBB | NAQ | 1.2° | 0.0° |
| CBA | SAU | CBB | SBD | 178.9° | 179.9° |
| SAU | CBA | NAR | H12 | 178.0° | 0.1° |
| NAQ | CBB | SAU | SBD | 177.7° | 179.9° |
| NAQ | CBB | SBD | OAD | 60.2° | 83.5° |
| NAQ | CBB | SBD | NAS | 60.4° | 30.1° |
| NAQ | CBB | SBD | OAC | 178.3° | 143.6° |
| SAU | CBB | SBD | OAD | 117.3° | 96.4° |
| SAU | CBB | SBD | NAS | 122.1° | 150.0° |
| SAU | CBB | SBD | OAC | 0.9° | 36.5° |
| CBB | SBD | OAD | NAS | 121.5° | 114.1° |
| CBB | SBD | OAD | OAC | 114.4° | 123.0° |
| CBB | SBD | NAS | OAC | 117.7° | 113.6° |
| CBB | SBD | NAS | CAX | 74.9° | 65.0° |
| CBB | SBD | NAS | H13 | 163.5° | 115.0° |
| OAD | SBD | NAS | OAC | 123.9° | 132.8° |
| OAD | SBD | NAS | CAX | 166.6° | 178.5° |
| OAD | SBD | NAS | H13 | 45.1° | 1.4° |
| SBD | NAS | CAX | CAK | 87.8° | 45.1° |
| SBD | NAS | CAX | H13 | 121.5° | 179.9° |
| SBD | NAS | CAX | CAN | 91.1° | 134.5° |
| OAC | SBD | NAS | CAX | 42.7° | 48.6° |
| OAC | SBD | NAS | H13 | 78.8° | 131.5° |
| CAX | CAK | CAH | H7 | 180.0° | 179.9° |
| CAK | CAX | NAS | CAN | 178.9° | 179.6° |
| CAX | CAK | CAH | CAJ | 0.6° | 0.1° |
| CAK | CAX | CAN | CAW | 0.7° | 0.8° |
| CAX | CAK | CAH | H4 | 179.4° | 179.8° |
| CAK | CAX | CAN | H10 | 179.4° | 179.7° |
| CAK | CAX | NAS | H13 | 150.7° | 135.0° |
| CAH | CAK | CAX | NAS | 178.8° | 180.0° |
| CAH | CAK | CAX | CAN | 0.0° | 0.5° |
| CAK | CAH | CAJ | H4 | 180.0° | 179.7° |
| CAK | CAH | CAJ | CAW | 0.6° | 0.3° |
| CAK | CAH | CAJ | H6 | 179.4° | 179.7° |
| NAS | CAX | CAN | CAW | 179.6° | 179.7° |
| NAS | CAX | CAK | H7 | 1.2° | 0.1° |
| NAS | CAX | CAN | H10 | 0.4° | 0.2° |
| CAX | CAN | CAW | H10 | 180.0° | 179.5° |
| CAX | CAN | CAW | CAJ | 0.7° | 0.5° |
| CAX | CAN | CAW | CAA | 179.5° | 179.5° |
| CAN | CAX | CAK | H7 | 180.0° | 179.5° |
| CAN | CAX | NAS | H13 | 30.5° | 45.4° |
| CAH | CAJ | CAW | CAN | 0.0° | 0.0° |
| CAH | CAJ | CAW | H6 | 180.0° | 180.0° |
| CAH | CAJ | CAW | CAA | 179.8° | 180.0° |
| CAJ | CAH | CAK | H7 | 179.4° | 180.0° |
| CAN | CAW | CAJ | CAA | 179.8° | 180.0° |
| CAN | CAW | CAA | H1 | 90.1° | 90.0° |
| CAN | CAW | CAA | H2 | 149.9° | 29.9° |
| CAN | CAW | CAA | H3 | 29.9° | 150.0° |
| CAN | CAW | CAJ | H6 | 180.0° | 180.0° |
| CAJ | CAW | CAA | H1 | 90.1° | 90.1° |
| CAJ | CAW | CAA | H2 | 29.9° | 150.0° |
| CAJ | CAW | CAA | H3 | 149.9° | 30.0° |
| CAW | CAJ | CAH | H4 | 179.4° | 180.0° |
| CAJ | CAW | CAN | H10 | 179.3° | 180.0° |
| CAW | CAA | H1 | H2 | 120.0° | 120.0° |
| CAW | CAA | H1 | H3 | 120.0° | 120.1° |
| CAW | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAW | CAJ | H6 | 0.2° | 0.1° |
| CAA | CAW | CAN | H10 | 0.4° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAH | CAJ | H6 | 0.6° | 0.0° |
| H4 | CAH | CAK | H7 | 0.6° | 0.3° |
| H5 | CAI | CAL | H8 | 0.6° | 0.3° |
| H5 | CAI | CAM | H9 | 1.8° | 0.2° |
