AEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAP | doub | 1.22Å | 1.23Å | |
| CLD | CAR | sing | 1.74Å | 1.74Å | |
| CAI | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | OAO | sing | 1.34Å | 1.35Å | |
| CAP | CAU | sing | 1.47Å | 1.33Å | |
| CAK | CAY | doub | 1.39Å | 1.33Å | Aromatic |
| CAT | CLE | sing | 1.74Å | 1.70Å | |
| CAT | CAZ | doub | 1.40Å | 1.33Å | Aromatic |
| CAH | CAU | doub | 1.40Å | 1.34Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.40Å | 1.35Å | Aromatic |
| CAY | NAL | sing | 1.39Å | 1.33Å | Aromatic |
| CAZ | NAN | sing | 1.36Å | 1.33Å | Aromatic |
| OAO | CBA | sing | 1.45Å | 1.43Å | |
| CAU | CAW | sing | 1.40Å | 1.34Å | Aromatic |
| OAC | CAS | doub | 1.22Å | 1.36Å | |
| NAL | CAV | sing | 1.37Å | 1.33Å | Aromatic |
| NAN | CAV | doub | 1.31Å | 1.33Å | Aromatic |
| CAV | NBB | sing | 1.38Å | 1.32Å | |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | NBB | sing | 1.35Å | 1.33Å | |
| CAS | CAX | sing | 1.41Å | 1.32Å | |
| NBB | NAM | sing | 1.40Å | 1.20Å | |
| CBA | CAW | sing | 1.51Å | 1.43Å | |
| CBA | CAX | sing | 1.51Å | 1.43Å | |
| CAW | CAJ | doub | 1.37Å | 1.34Å | Aromatic |
| CAX | CAQ | doub | 1.35Å | 1.35Å | |
| NAM | CAQ | sing | 1.37Å | 1.33Å | |
| CAQ | CAA | sing | 1.51Å | 1.53Å | |
| CAG | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CBA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| NAM | H9 | sing | 0.97Å | 1.00Å | |
| NAL | H10 | sing | 0.97Å | 1.00Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAP | OAO | 124.2° | 124.9° |
| OAB | CAP | CAU | 121.9° | 124.9° |
| CLD | CAR | CAI | 121.2° | 119.8° |
| CLD | CAR | CAT | 120.1° | 119.8° |
| CAR | CAI | CAK | 118.3° | 120.4° |
| CAI | CAR | CAT | 118.7° | 120.5° |
| CAR | CAI | H12 | 120.9° | 119.8° |
| CAI | CAK | CAY | 120.6° | 119.9° |
| CAI | CAK | H11 | 119.7° | 120.0° |
| CAK | CAI | H12 | 120.8° | 119.7° |
| CAR | CAT | CLE | 119.3° | 120.1° |
| CAR | CAT | CAZ | 120.5° | 119.8° |
| OAO | CAP | CAU | 113.5° | 110.2° |
| CAP | OAO | CBA | 101.6° | 108.9° |
| CAP | CAU | CAH | 132.1° | 132.6° |
| CAP | CAU | CAW | 106.6° | 108.0° |
| CAK | CAY | CAZ | 120.8° | 120.0° |
| CAK | CAY | NAL | 131.0° | 133.9° |
| CAY | CAK | H11 | 119.7° | 120.1° |
| CLE | CAT | CAZ | 120.2° | 120.1° |
| CAT | CAZ | CAY | 121.1° | 119.5° |
| CAT | CAZ | NAN | 130.4° | 133.4° |
| CAU | CAH | CAF | 121.2° | 119.8° |
| CAH | CAU | CAW | 121.2° | 119.4° |
| CAU | CAH | H1 | 119.4° | 120.1° |
| CAH | CAF | CAG | 118.2° | 120.3° |
| CAF | CAH | H1 | 119.4° | 120.1° |
| CAH | CAF | H2 | 120.9° | 119.8° |
| CAZ | CAY | NAL | 108.2° | 106.1° |
| CAY | CAZ | NAN | 108.5° | 107.1° |
| CAY | NAL | CAV | 106.2° | 107.2° |
| CAY | NAL | H10 | 126.9° | 126.4° |
| CAZ | NAN | CAV | 106.2° | 109.6° |
| OAO | CBA | CAW | 105.3° | 106.5° |
| OAO | CBA | CAX | 108.2° | 110.0° |
| OAO | CBA | H5 | 108.1° | 110.0° |
| CAU | CAW | CBA | 108.0° | 106.3° |
| CAU | CAW | CAJ | 119.4° | 120.3° |
| OAC | CAS | NBB | 121.4° | 126.2° |
| OAC | CAS | CAX | 129.9° | 126.2° |
| NAL | CAV | NAN | 110.8° | 109.9° |
| NAL | CAV | NBB | 126.2° | 125.0° |
| CAV | NAL | H10 | 126.9° | 126.4° |
| NAN | CAV | NBB | 122.6° | 125.0° |
| CAV | NBB | CAS | 122.9° | 126.2° |
| CAV | NBB | NAM | 126.9° | 126.2° |
| CAF | CAG | CAJ | 117.6° | 120.2° |
| CAG | CAF | H2 | 120.9° | 119.9° |
| CAF | CAG | H3 | 121.2° | 119.9° |
| NBB | CAS | CAX | 108.7° | 107.6° |
| CAS | NBB | NAM | 109.9° | 107.7° |
| CAS | CAX | CBA | 120.8° | 125.9° |
| CAS | CAX | CAQ | 103.7° | 108.1° |
| NBB | NAM | CAQ | 109.5° | 108.2° |
| NBB | NAM | H9 | 109.5° | 125.9° |
| CAW | CBA | CAX | 118.8° | 110.1° |
| CBA | CAW | CAJ | 132.6° | 133.4° |
| CAW | CBA | H5 | 108.1° | 110.1° |
| CBA | CAX | CAQ | 135.5° | 126.0° |
| CAX | CBA | H5 | 108.0° | 110.1° |
| CAW | CAJ | CAG | 122.3° | 120.0° |
| CAW | CAJ | H4 | 118.9° | 120.0° |
| CAX | CAQ | NAM | 108.1° | 108.5° |
| CAX | CAQ | CAA | 131.8° | 125.8° |
| NAM | CAQ | CAA | 120.1° | 125.8° |
| CAQ | NAM | H9 | 109.5° | 125.9° |
| CAQ | CAA | H6 | 109.5° | 109.5° |
| CAQ | CAA | H7 | 109.5° | 109.5° |
| CAQ | CAA | H8 | 109.5° | 109.5° |
| CAJ | CAG | H3 | 121.2° | 119.9° |
| CAG | CAJ | H4 | 118.8° | 120.0° |
| H6 | CAA | H7 | 109.4° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAP | OAO | CAU | 173.1° | 179.9° |
| OAB | CAP | CAU | CAH | 8.8° | 0.1° |
| OAB | CAP | OAO | CBA | 164.7° | 180.0° |
| OAB | CAP | CAU | CAW | 172.3° | 180.0° |
| CLD | CAR | CAI | CAT | 179.8° | 179.9° |
| CLD | CAR | CAI | CAK | 179.8° | 180.0° |
| CLD | CAR | CAT | CLE | 0.3° | 0.0° |
| CLD | CAR | CAT | CAZ | 180.0° | 180.0° |
| CLD | CAR | CAI | H12 | 0.2° | 0.0° |
| CAR | CAI | CAK | H12 | 180.0° | 179.9° |
| CAR | CAI | CAK | CAY | 0.2° | 0.0° |
| CAI | CAR | CAT | CLE | 179.8° | 179.9° |
| CAI | CAR | CAT | CAZ | 0.1° | 0.1° |
| CAR | CAI | CAK | H11 | 179.9° | 179.9° |
| CAK | CAI | CAR | CAT | 0.0° | 0.1° |
| CAI | CAK | CAY | H11 | 180.0° | 180.0° |
| CAI | CAK | CAY | CAZ | 0.2° | 0.0° |
| CAI | CAK | CAY | NAL | 179.7° | 179.7° |
| CAR | CAT | CLE | CAZ | 179.7° | 180.0° |
| CAR | CAT | CAZ | CAY | 0.1° | 0.0° |
| CAR | CAT | CAZ | NAN | 180.0° | 180.0° |
| CAT | CAR | CAI | H12 | 180.0° | 180.0° |
| OAO | CAP | CAU | CAH | 164.5° | 180.0° |
| OAO | CAP | CAU | CAW | 14.4° | 0.0° |
| CAP | OAO | CBA | CAW | 20.5° | 0.0° |
| CAP | OAO | CBA | CAX | 107.5° | 119.3° |
| CAP | OAO | CBA | H5 | 135.9° | 119.3° |
| CAP | CAU | CAH | CAW | 178.7° | 180.0° |
| CAP | CAU | CAH | CAF | 178.5° | 180.0° |
| CAU | CAP | OAO | CBA | 22.2° | 0.0° |
| CAP | CAU | CAW | CBA | 0.4° | 0.0° |
| CAP | CAU | CAW | CAJ | 177.8° | 180.0° |
| CAP | CAU | CAH | H1 | 1.5° | 0.2° |
| CAK | CAY | CAZ | CAT | 0.0° | 0.0° |
| CAK | CAY | CAZ | NAL | 179.9° | 179.8° |
| CAK | CAY | CAZ | NAN | 179.9° | 180.0° |
| CAK | CAY | NAL | CAV | 178.4° | 179.8° |
| CAK | CAY | NAL | H10 | 1.6° | 0.2° |
| CAY | CAK | CAI | H12 | 179.8° | 180.0° |
| CLE | CAT | CAZ | CAY | 179.8° | 180.0° |
| CLE | CAT | CAZ | NAN | 0.3° | 0.0° |
| CAT | CAZ | CAY | NAN | 179.9° | 180.0° |
| CAT | CAZ | CAY | NAL | 179.9° | 179.8° |
| CAT | CAZ | NAN | CAV | 178.5° | 179.6° |
| CAU | CAH | CAF | H1 | 180.0° | 179.8° |
| CAU | CAH | CAF | CAG | 0.1° | 0.1° |
| CAH | CAU | CAW | CBA | 179.4° | 180.0° |
| CAH | CAU | CAW | CAJ | 1.2° | 0.0° |
| CAU | CAH | CAF | H2 | 179.9° | 180.0° |
| CAF | CAH | CAU | CAW | 0.3° | 0.1° |
| CAH | CAF | CAG | H2 | 180.0° | 179.9° |
| CAH | CAF | CAG | CAJ | 0.8° | 0.1° |
| CAH | CAF | CAG | H3 | 179.2° | 180.0° |
| CAZ | CAY | NAL | CAV | 1.7° | 0.0° |
| CAY | CAZ | NAN | CAV | 1.3° | 0.4° |
| CAZ | CAY | NAL | H10 | 178.2° | 180.0° |
| CAZ | CAY | CAK | H11 | 179.9° | 180.0° |
| NAL | CAY | CAZ | NAN | 0.3° | 0.2° |
| CAY | NAL | CAV | H10 | 180.0° | 179.9° |
| CAY | NAL | CAV | NAN | 2.6° | 0.3° |
| CAY | NAL | CAV | NBB | 175.8° | 180.0° |
| NAL | CAY | CAK | H11 | 0.3° | 0.2° |
| CAZ | NAN | CAV | NAL | 2.5° | 0.4° |
| CAZ | NAN | CAV | NBB | 175.9° | 179.8° |
| OAO | CBA | CAW | CAU | 13.5° | 0.0° |
| OAO | CBA | CAX | CAS | 36.1° | 53.9° |
| OAO | CBA | CAW | CAX | 121.3° | 119.2° |
| OAO | CBA | CAW | H5 | 115.3° | 119.2° |
| OAO | CBA | CAX | H5 | 116.7° | 121.4° |
| OAO | CBA | CAW | CAJ | 164.3° | 180.0° |
| OAO | CBA | CAX | CAQ | 146.1° | 126.5° |
| CAU | CAW | CBA | CAJ | 177.8° | 180.0° |
| CAU | CAW | CBA | CAX | 107.8° | 119.2° |
| CAU | CAW | CAJ | CAG | 2.1° | 0.0° |
| CAW | CAU | CAH | H1 | 179.8° | 179.7° |
| CAU | CAW | CAJ | H4 | 177.9° | 180.0° |
| CAU | CAW | CBA | H5 | 128.8° | 119.2° |
| OAC | CAS | NBB | CAV | 4.5° | 0.2° |
| OAC | CAS | NBB | CAX | 180.0° | 179.9° |
| OAC | CAS | NBB | NAM | 178.4° | 179.8° |
| OAC | CAS | CAX | CBA | 1.5° | 0.0° |
| OAC | CAS | CAX | CAQ | 180.0° | 179.7° |
| NAL | CAV | NAN | NBB | 173.4° | 179.8° |
| NAL | CAV | NBB | CAS | 22.9° | 180.0° |
| NAL | CAV | NBB | NAM | 164.3° | 0.0° |
| NAN | CAV | NBB | CAS | 149.5° | 0.2° |
| NAN | CAV | NBB | NAM | 23.3° | 179.8° |
| NAN | CAV | NAL | H10 | 177.3° | 179.8° |
| CAV | NBB | CAS | NAM | 173.9° | 180.0° |
| CAV | NBB | CAS | CAX | 175.5° | 179.9° |
| CAV | NBB | NAM | CAQ | 176.1° | 179.9° |
| CAV | NBB | NAM | H9 | 63.9° | 0.2° |
| NBB | CAV | NAL | H10 | 4.2° | 0.0° |
| CAF | CAG | CAJ | CAW | 1.9° | 0.1° |
| CAF | CAG | CAJ | H3 | 180.0° | 179.9° |
| CAG | CAF | CAH | H1 | 179.9° | 179.7° |
| CAF | CAG | CAJ | H4 | 178.1° | 179.9° |
| NBB | CAS | CAX | CBA | 178.5° | 179.9° |
| NBB | CAS | CAX | CAQ | 0.0° | 0.2° |
| CAS | NBB | NAM | CAQ | 2.5° | 0.1° |
| CAS | NBB | NAM | H9 | 122.5° | 179.8° |
| CAX | CAS | NBB | NAM | 1.6° | 0.1° |
| CAS | CAX | CBA | CAW | 155.9° | 63.1° |
| CAS | CAX | CBA | CAQ | 177.8° | 179.6° |
| CAS | CAX | CAQ | NAM | 1.4° | 0.3° |
| CAS | CAX | CAQ | CAA | 179.6° | 179.8° |
| CAS | CAX | CBA | H5 | 80.6° | 175.3° |
| NBB | NAM | CAQ | CAX | 2.5° | 0.2° |
| NBB | NAM | CAQ | H9 | 120.0° | 179.7° |
| NBB | NAM | CAQ | CAA | 178.4° | 179.9° |
| CAW | CBA | CAX | H5 | 123.5° | 121.6° |
| CAW | CBA | CAX | CAQ | 26.3° | 116.5° |
| CBA | CAW | CAJ | CAG | 179.7° | 180.0° |
| CBA | CAW | CAJ | H4 | 0.3° | 0.0° |
| CAX | CBA | CAW | CAJ | 74.4° | 60.7° |
| CBA | CAX | CAQ | NAM | 179.5° | 180.0° |
| CBA | CAX | CAQ | CAA | 1.5° | 0.2° |
| CAW | CAJ | CAG | H4 | 180.0° | 180.0° |
| CAW | CAJ | CAG | H3 | 178.2° | 179.9° |
| CAJ | CAW | CBA | H5 | 49.0° | 60.8° |
| CAX | CAQ | NAM | CAA | 179.1° | 179.9° |
| CAQ | CAX | CBA | H5 | 97.2° | 5.1° |
| CAX | CAQ | CAA | H6 | 180.0° | 89.9° |
| CAX | CAQ | CAA | H7 | 60.0° | 150.0° |
| CAX | CAQ | CAA | H8 | 60.0° | 30.0° |
| CAX | CAQ | NAM | H9 | 122.5° | 180.0° |
| NAM | CAQ | CAA | H6 | 1.1° | 89.9° |
| NAM | CAQ | CAA | H7 | 118.9° | 30.1° |
| NAM | CAQ | CAA | H8 | 121.1° | 150.1° |
| CAQ | CAA | H6 | H7 | 120.0° | 120.0° |
| CAQ | CAA | H6 | H8 | 120.0° | 120.0° |
| CAQ | CAA | H7 | H8 | 120.0° | 120.0° |
| CAA | CAQ | NAM | H9 | 58.4° | 0.1° |
| CAJ | CAG | CAF | H2 | 179.2° | 180.0° |
| H1 | CAH | CAF | H2 | 0.0° | 0.2° |
| H2 | CAF | CAG | H3 | 0.8° | 0.1° |
| H3 | CAG | CAJ | H4 | 1.9° | 0.1° |
| H6 | CAA | H7 | H8 | 119.9° | 120.0° |
| H11 | CAK | CAI | H12 | 0.2° | 0.0° |
