A1EEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAU | CAO | sing | 1.74Å | 1.74Å | |
| CAP | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | NAQ | sing | 1.32Å | 1.39Å | Aromatic |
| CAO | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAK | sing | 1.53Å | 1.53Å | |
| OAJ | CAK | sing | 1.43Å | 1.44Å | |
| OAJ | CAA | sing | 1.36Å | 1.37Å | |
| NAQ | CAR | doub | 1.32Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.36Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.51Å | 1.41Å | |
| CAM | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.33Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CLAT | sing | 1.74Å | 1.72Å | |
| CAF | CAE | doub | 1.40Å | 1.34Å | Aromatic |
| CAD | CAE | sing | 1.41Å | 1.33Å | Aromatic |
| CAD | NAG | sing | 1.37Å | 1.33Å | Aromatic |
| CAE | CAI | sing | 1.46Å | 1.33Å | Aromatic |
| NAG | NAH | sing | 1.40Å | 1.22Å | Aromatic |
| OAW | CAV | doub | 1.22Å | 1.23Å | |
| CAI | NAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAI | NAL | sing | 1.40Å | 1.33Å | |
| FBH | CBC | sing | 1.35Å | 1.35Å | |
| CAV | NAL | sing | 1.35Å | 1.34Å | |
| CAV | CAX | sing | 1.47Å | 1.40Å | |
| CBC | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CBC | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| CBB | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | NBD | sing | 1.39Å | 1.33Å | |
| CAY | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| NBD | CBE | sing | 1.35Å | 1.34Å | |
| CBA | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CBE | CBF | sing | 1.51Å | 1.53Å | |
| CBE | OBG | doub | 1.21Å | 1.23Å | |
| CBF | CBI | sing | 1.53Å | 1.52Å | |
| CAR | H1 | sing | 1.08Å | 1.08Å | |
| CAP | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAC | H9 | sing | 1.08Å | 1.08Å | |
| NAG | H10 | sing | 0.97Å | 1.00Å | |
| NAL | H11 | sing | 0.97Å | 1.00Å | |
| CBB | H12 | sing | 1.08Å | 1.08Å | |
| CBA | H13 | sing | 1.08Å | 1.08Å | |
| CAZ | H14 | sing | 1.08Å | 1.08Å | |
| NBD | H15 | sing | 0.97Å | 1.00Å | |
| CBF | H16 | sing | 1.09Å | 1.10Å | |
| CBF | H17 | sing | 1.09Å | 1.10Å | |
| CBI | H18 | sing | 1.09Å | 1.10Å | |
| CBI | H19 | sing | 1.09Å | 1.10Å | |
| CBI | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAU | CAO | CAP | 116.9° | 120.4° |
| CLAU | CAO | CAM | 123.4° | 120.4° |
| CAO | CAP | NAQ | 121.3° | 120.8° |
| CAP | CAO | CAM | 119.8° | 119.1° |
| CAO | CAP | H2 | 119.3° | 119.6° |
| CAP | NAQ | CAR | 119.0° | 121.8° |
| NAQ | CAP | H2 | 119.4° | 119.7° |
| CAO | CAM | CAK | 124.4° | 120.8° |
| CAO | CAM | CAS | 118.6° | 118.4° |
| CAN | CAK | OAJ | 108.8° | 109.5° |
| CAN | CAK | CAM | 109.3° | 109.4° |
| CAN | CAK | H3 | 107.1° | 109.4° |
| CAK | CAN | H4 | 109.5° | 109.5° |
| CAK | CAN | H5 | 109.5° | 109.5° |
| CAK | CAN | H6 | 109.5° | 109.5° |
| CAK | OAJ | CAA | 119.2° | 117.0° |
| OAJ | CAK | CAM | 114.5° | 109.5° |
| OAJ | CAK | H3 | 108.2° | 109.5° |
| OAJ | CAA | CAB | 118.3° | 119.8° |
| OAJ | CAA | CAF | 123.4° | 119.9° |
| NAQ | CAR | CAS | 120.0° | 120.7° |
| NAQ | CAR | H1 | 120.0° | 119.6° |
| CAA | CAB | CAC | 119.1° | 120.8° |
| CAB | CAA | CAF | 118.3° | 120.3° |
| CAA | CAB | H8 | 120.5° | 119.6° |
| CAB | CAC | CAD | 120.0° | 120.0° |
| CAC | CAB | H8 | 120.4° | 119.6° |
| CAB | CAC | H9 | 120.0° | 120.0° |
| CAK | CAM | CAS | 117.0° | 120.8° |
| CAM | CAK | H3 | 108.6° | 109.5° |
| CAM | CAS | CAR | 121.4° | 119.2° |
| CAM | CAS | CLAT | 119.9° | 120.4° |
| CAA | CAF | CAE | 119.7° | 119.6° |
| CAA | CAF | H7 | 120.1° | 120.2° |
| CAC | CAD | CAE | 121.1° | 119.6° |
| CAC | CAD | NAG | 131.4° | 133.6° |
| CAD | CAC | H9 | 120.0° | 120.0° |
| CAR | CAS | CLAT | 118.7° | 120.4° |
| CAS | CAR | H1 | 120.0° | 119.6° |
| CAF | CAE | CAD | 121.8° | 119.7° |
| CAF | CAE | CAI | 133.0° | 134.0° |
| CAE | CAF | H7 | 120.1° | 120.3° |
| CAE | CAD | NAG | 107.5° | 106.7° |
| CAD | CAE | CAI | 105.2° | 106.3° |
| CAD | NAG | NAH | 110.0° | 109.2° |
| CAD | NAG | H10 | 125.0° | 125.4° |
| CAE | CAI | NAH | 108.2° | 107.7° |
| CAE | CAI | NAL | 129.0° | 126.1° |
| NAG | NAH | CAI | 109.1° | 110.0° |
| NAH | NAG | H10 | 125.0° | 125.4° |
| OAW | CAV | NAL | 124.1° | 120.0° |
| OAW | CAV | CAX | 121.2° | 120.0° |
| NAH | CAI | NAL | 122.7° | 126.2° |
| CAI | NAL | CAV | 119.2° | 120.0° |
| CAI | NAL | H11 | 120.4° | 120.0° |
| FBH | CBC | CAX | 120.0° | 120.0° |
| FBH | CBC | CBB | 119.6° | 120.0° |
| NAL | CAV | CAX | 114.6° | 120.0° |
| CAV | NAL | H11 | 120.4° | 120.0° |
| CAV | CAX | CBC | 119.0° | 120.2° |
| CAV | CAX | CAY | 122.1° | 120.3° |
| CAX | CBC | CBB | 120.4° | 119.9° |
| CBC | CAX | CAY | 118.9° | 119.5° |
| CBC | CBB | CBA | 120.2° | 120.2° |
| CBC | CBB | H12 | 119.9° | 119.9° |
| CAX | CAY | NBD | 117.3° | 120.1° |
| CAX | CAY | CAZ | 120.9° | 119.7° |
| CBB | CBA | CAZ | 119.8° | 120.5° |
| CBA | CBB | H12 | 119.9° | 119.9° |
| CBB | CBA | H13 | 120.1° | 119.7° |
| NBD | CAY | CAZ | 121.8° | 120.1° |
| CAY | NBD | CBE | 119.0° | 120.0° |
| CAY | NBD | H15 | 120.5° | 120.0° |
| CAY | CAZ | CBA | 119.7° | 120.1° |
| CAY | CAZ | H14 | 120.2° | 120.0° |
| NBD | CBE | CBF | 114.1° | 120.0° |
| NBD | CBE | OBG | 125.0° | 120.0° |
| CBE | NBD | H15 | 120.5° | 120.0° |
| CAZ | CBA | H13 | 120.1° | 119.8° |
| CBA | CAZ | H14 | 120.2° | 119.9° |
| CBF | CBE | OBG | 120.9° | 120.0° |
| CBE | CBF | CBI | 109.1° | 109.5° |
| CBE | CBF | H16 | 109.6° | 109.4° |
| CBE | CBF | H17 | 109.6° | 109.4° |
| CBI | CBF | H16 | 109.5° | 109.5° |
| CBI | CBF | H17 | 109.5° | 109.5° |
| CBF | CBI | H18 | 109.5° | 109.5° |
| CBF | CBI | H19 | 109.5° | 109.5° |
| CBF | CBI | H20 | 109.5° | 109.5° |
| H4 | CAN | H5 | 109.5° | 109.5° |
| H4 | CAN | H6 | 109.5° | 109.5° |
| H5 | CAN | H6 | 109.5° | 109.4° |
| H16 | CBF | H17 | 109.5° | 109.5° |
| H18 | CBI | H19 | 109.5° | 109.5° |
| H18 | CBI | H20 | 109.5° | 109.5° |
| H19 | CBI | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAU | CAO | CAP | CAM | 179.6° | 179.7° |
| CLAU | CAO | CAP | NAQ | 179.8° | 180.0° |
| CLAU | CAO | CAM | CAK | 0.6° | 0.3° |
| CLAU | CAO | CAM | CAS | 179.7° | 179.8° |
| CLAU | CAO | CAP | H2 | 0.1° | 0.3° |
| CAO | CAP | NAQ | H2 | 180.0° | 179.8° |
| CAO | CAP | NAQ | CAR | 0.2° | 0.0° |
| CAP | CAO | CAM | CAK | 179.8° | 180.0° |
| CAP | CAO | CAM | CAS | 0.7° | 0.5° |
| NAQ | CAP | CAO | CAM | 0.5° | 0.2° |
| CAP | NAQ | CAR | CAS | 0.1° | 0.0° |
| CAP | NAQ | CAR | H1 | 179.9° | 180.0° |
| CAO | CAM | CAK | CAN | 87.5° | 105.0° |
| CAO | CAM | CAK | OAJ | 34.8° | 135.0° |
| CAO | CAM | CAK | CAS | 179.1° | 179.5° |
| CAO | CAM | CAS | CAR | 0.6° | 0.5° |
| CAO | CAM | CAS | CLAT | 179.6° | 179.8° |
| CAM | CAO | CAP | H2 | 179.5° | 180.0° |
| CAO | CAM | CAK | H3 | 155.9° | 14.9° |
| CAN | CAK | OAJ | CAM | 122.6° | 120.0° |
| CAN | CAK | OAJ | H3 | 116.1° | 120.0° |
| CAN | CAK | OAJ | CAA | 159.5° | 93.8° |
| CAN | CAK | CAM | H3 | 116.6° | 119.9° |
| CAN | CAK | CAM | CAS | 91.6° | 75.5° |
| CAK | CAN | H4 | H5 | 120.0° | 120.0° |
| CAK | CAN | H4 | H6 | 120.0° | 120.0° |
| CAK | CAN | H5 | H6 | 120.0° | 120.0° |
| CAK | OAJ | CAA | CAB | 175.6° | 174.2° |
| OAJ | CAK | CAM | H3 | 121.1° | 120.1° |
| OAJ | CAK | CAM | CAS | 146.1° | 44.5° |
| CAK | OAJ | CAA | CAF | 4.5° | 6.0° |
| OAJ | CAK | CAN | H4 | 180.0° | 180.0° |
| OAJ | CAK | CAN | H5 | 60.0° | 59.9° |
| OAJ | CAK | CAN | H6 | 60.0° | 60.0° |
| OAJ | CAA | CAB | CAF | 179.9° | 179.8° |
| OAJ | CAA | CAB | CAC | 179.9° | 180.0° |
| CAA | OAJ | CAK | CAM | 77.9° | 146.2° |
| OAJ | CAA | CAF | CAE | 179.9° | 180.0° |
| CAA | OAJ | CAK | H3 | 43.4° | 26.2° |
| OAJ | CAA | CAF | H7 | 0.2° | 0.0° |
| OAJ | CAA | CAB | H8 | 0.1° | 0.1° |
| NAQ | CAR | CAS | CAM | 0.3° | 0.3° |
| NAQ | CAR | CAS | H1 | 180.0° | 180.0° |
| NAQ | CAR | CAS | CLAT | 179.9° | 180.0° |
| CAR | NAQ | CAP | H2 | 179.8° | 179.8° |
| CAA | CAB | CAC | H8 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.2° | 0.0° |
| CAB | CAA | CAF | CAE | 0.2° | 0.2° |
| CAB | CAA | CAF | H7 | 179.8° | 179.8° |
| CAA | CAB | CAC | H9 | 179.8° | 179.9° |
| CAC | CAB | CAA | CAF | 0.2° | 0.2° |
| CAB | CAC | CAD | H9 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.2° |
| CAB | CAC | CAD | NAG | 179.7° | 179.9° |
| CAK | CAM | CAS | CAR | 179.7° | 180.0° |
| CAK | CAM | CAS | CLAT | 0.4° | 0.3° |
| CAM | CAK | CAN | H4 | 54.3° | 60.0° |
| CAM | CAK | CAN | H5 | 65.7° | 60.0° |
| CAM | CAK | CAN | H6 | 174.3° | 180.0° |
| CAM | CAS | CAR | CLAT | 179.8° | 179.7° |
| CAM | CAS | CAR | H1 | 179.7° | 179.7° |
| CAS | CAM | CAK | H3 | 25.0° | 164.6° |
| CAA | CAF | CAE | H7 | 180.0° | 180.0° |
| CAA | CAF | CAE | CAD | 0.2° | 0.0° |
| CAA | CAF | CAE | CAI | 179.4° | 180.0° |
| CAF | CAA | CAB | H8 | 179.8° | 179.7° |
| CAC | CAD | CAE | CAF | 0.3° | 0.2° |
| CAC | CAD | CAE | NAG | 179.6° | 179.9° |
| CAC | CAD | CAE | CAI | 179.5° | 179.8° |
| CAC | CAD | NAG | NAH | 179.7° | 180.0° |
| CAD | CAC | CAB | H8 | 179.8° | 180.0° |
| CAC | CAD | NAG | H10 | 0.3° | 0.1° |
| CLAT | CAS | CAR | H1 | 0.1° | 0.0° |
| CAF | CAE | CAD | CAI | 179.7° | 180.0° |
| CAF | CAE | CAD | NAG | 179.8° | 179.9° |
| CAF | CAE | CAI | NAH | 179.9° | 179.6° |
| CAF | CAE | CAI | NAL | 1.4° | 0.0° |
| CAE | CAD | NAG | NAH | 0.3° | 0.2° |
| CAD | CAE | CAI | NAH | 0.4° | 0.4° |
| CAD | CAE | CAI | NAL | 178.9° | 180.0° |
| CAD | CAE | CAF | H7 | 179.7° | 180.0° |
| CAE | CAD | CAC | H9 | 179.7° | 179.7° |
| CAE | CAD | NAG | H10 | 179.7° | 179.7° |
| NAG | CAD | CAE | CAI | 0.1° | 0.1° |
| CAD | NAG | NAH | H10 | 180.0° | 179.9° |
| CAD | NAG | NAH | CAI | 0.5° | 0.4° |
| NAG | CAD | CAC | H9 | 0.3° | 0.1° |
| CAE | CAI | NAH | NAG | 0.6° | 0.5° |
| CAE | CAI | NAH | NAL | 178.6° | 179.7° |
| CAE | CAI | NAL | CAV | 88.7° | 180.0° |
| CAI | CAE | CAF | H7 | 0.6° | 0.0° |
| CAE | CAI | NAL | H11 | 91.3° | 0.0° |
| NAG | NAH | CAI | NAL | 179.2° | 179.8° |
| OAW | CAV | NAL | CAI | 0.4° | 0.0° |
| OAW | CAV | NAL | CAX | 177.6° | 179.9° |
| OAW | CAV | CAX | CBC | 66.4° | 89.8° |
| OAW | CAV | CAX | CAY | 114.5° | 90.0° |
| OAW | CAV | NAL | H11 | 179.6° | 180.0° |
| NAH | CAI | NAL | CAV | 93.0° | 0.4° |
| CAI | NAH | NAG | H10 | 179.5° | 179.5° |
| NAH | CAI | NAL | H11 | 87.0° | 179.6° |
| CAI | NAL | CAV | H11 | 180.0° | 180.0° |
| CAI | NAL | CAV | CAX | 177.9° | 179.9° |
| FBH | CBC | CAX | CAV | 0.4° | 0.0° |
| FBH | CBC | CAX | CBB | 180.0° | 180.0° |
| FBH | CBC | CAX | CAY | 179.5° | 179.8° |
| FBH | CBC | CBB | CBA | 180.0° | 180.0° |
| FBH | CBC | CBB | H12 | 0.0° | 0.1° |
| NAL | CAV | CAX | CBC | 111.2° | 90.3° |
| NAL | CAV | CAX | CAY | 67.8° | 89.9° |
| CAV | CAX | CBC | CAY | 179.1° | 179.8° |
| CAV | CAX | CBC | CBB | 179.6° | 180.0° |
| CAV | CAX | CAY | NBD | 1.5° | 0.0° |
| CAV | CAX | CAY | CAZ | 179.8° | 179.8° |
| CAX | CAV | NAL | H11 | 2.1° | 0.0° |
| CAX | CBC | CBB | CBA | 0.0° | 0.1° |
| CBC | CAX | CAY | NBD | 179.4° | 179.7° |
| CBC | CAX | CAY | CAZ | 1.1° | 0.5° |
| CAX | CBC | CBB | H12 | 180.0° | 180.0° |
| CBB | CBC | CAX | CAY | 0.5° | 0.2° |
| CBC | CBB | CBA | H12 | 180.0° | 179.9° |
| CBC | CBB | CBA | CAZ | 0.1° | 0.0° |
| CBC | CBB | CBA | H13 | 179.9° | 180.0° |
| CAX | CAY | NBD | CAZ | 178.3° | 179.8° |
| CAX | CAY | NBD | CBE | 120.1° | 145.5° |
| CAX | CAY | CAZ | CBA | 1.2° | 0.5° |
| CAX | CAY | CAZ | H14 | 178.8° | 179.8° |
| CAX | CAY | NBD | H15 | 59.9° | 34.5° |
| CBB | CBA | CAZ | CAY | 0.6° | 0.2° |
| CBB | CBA | CAZ | H13 | 180.0° | 179.9° |
| CBB | CBA | CAZ | H14 | 179.4° | 180.0° |
| CAY | NBD | CBE | H15 | 180.0° | 180.0° |
| NBD | CAY | CAZ | CBA | 179.4° | 179.7° |
| CAY | NBD | CBE | CBF | 179.2° | 175.6° |
| CAY | NBD | CBE | OBG | 1.8° | 4.4° |
| NBD | CAY | CAZ | H14 | 0.6° | 0.0° |
| CAZ | CAY | NBD | CBE | 61.6° | 34.7° |
| CAY | CAZ | CBA | H14 | 180.0° | 179.7° |
| CAY | CAZ | CBA | H13 | 179.4° | 179.7° |
| CAZ | CAY | NBD | H15 | 118.4° | 145.3° |
| NBD | CBE | CBF | OBG | 179.1° | 180.0° |
| NBD | CBE | CBF | CBI | 150.1° | 180.0° |
| NBD | CBE | CBF | H16 | 30.2° | 60.0° |
| NBD | CBE | CBF | H17 | 89.9° | 60.0° |
| CAZ | CBA | CBB | H12 | 180.0° | 179.9° |
| CBE | CBF | CBI | H16 | 120.0° | 120.0° |
| CBE | CBF | CBI | H17 | 119.9° | 120.0° |
| CBF | CBE | NBD | H15 | 0.9° | 4.4° |
| CBE | CBF | H16 | H17 | 120.2° | 119.9° |
| CBE | CBF | CBI | H18 | 180.0° | 180.0° |
| CBE | CBF | CBI | H19 | 60.0° | 60.0° |
| CBE | CBF | CBI | H20 | 60.0° | 60.0° |
| OBG | CBE | CBF | CBI | 29.0° | 0.0° |
| OBG | CBE | NBD | H15 | 178.2° | 175.6° |
| OBG | CBE | CBF | H16 | 148.9° | 120.0° |
| OBG | CBE | CBF | H17 | 90.9° | 120.0° |
| CBI | CBF | H16 | H17 | 120.1° | 120.1° |
| CBF | CBI | H18 | H19 | 120.0° | 120.0° |
| CBF | CBI | H18 | H20 | 120.0° | 120.0° |
| CBF | CBI | H19 | H20 | 120.0° | 120.0° |
| H3 | CAK | CAN | H4 | 63.2° | 60.0° |
| H3 | CAK | CAN | H5 | 176.8° | 180.0° |
| H3 | CAK | CAN | H6 | 56.8° | 60.0° |
| H4 | CAN | H5 | H6 | 120.0° | 120.0° |
| H8 | CAB | CAC | H9 | 0.2° | 0.0° |
| H12 | CBB | CBA | H13 | 0.0° | 0.1° |
| H13 | CBA | CAZ | H14 | 0.6° | 0.0° |
| H16 | CBF | CBI | H18 | 60.1° | 60.0° |
| H16 | CBF | CBI | H19 | 179.9° | 179.9° |
| H16 | CBF | CBI | H20 | 60.0° | 60.0° |
| H17 | CBF | CBI | H18 | 60.0° | 60.0° |
| H17 | CBF | CBI | H19 | 60.0° | 60.0° |
| H17 | CBF | CBI | H20 | 179.9° | 180.0° |
| H18 | CBI | H19 | H20 | 120.0° | 120.0° |






