A1EAM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLD | CAR | sing | 1.74Å | 1.79Å | |
| CAI | CAR | doub | 1.39Å | 1.44Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.35Å | Aromatic |
| CAR | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAY | doub | 1.39Å | 1.48Å | Aromatic |
| CAT | CLE | sing | 1.74Å | 1.75Å | |
| CAT | CAZ | doub | 1.40Å | 1.42Å | Aromatic |
| CAY | CAZ | sing | 1.41Å | 1.35Å | Aromatic |
| CAY | NAL | sing | 1.38Å | 1.28Å | Aromatic |
| CAZ | NAN | sing | 1.36Å | 1.31Å | Aromatic |
| OAB | CAP | doub | 1.22Å | 1.10Å | |
| NAL | CAV | sing | 1.37Å | 1.33Å | Aromatic |
| NAN | CAV | doub | 1.31Å | 1.29Å | Aromatic |
| CAV | NBB | sing | 1.39Å | 1.53Å | |
| CAP | OAO | sing | 1.34Å | 1.40Å | |
| CAP | CAU | sing | 1.47Å | 1.51Å | |
| NBB | NAM | sing | 1.37Å | 1.50Å | |
| NBB | CAS | sing | 1.35Å | 1.35Å | |
| OAO | CBA | sing | 1.45Å | 1.64Å | |
| OAC | CAS | doub | 1.21Å | 1.18Å | |
| CAH | CAU | doub | 1.39Å | 1.35Å | Aromatic |
| CAH | CAF | sing | 1.38Å | 1.43Å | Aromatic |
| NAM | CAQ | sing | 1.48Å | 1.51Å | |
| CAS | CAX | sing | 1.52Å | 1.47Å | |
| CAU | CAW | sing | 1.40Å | 1.37Å | Aromatic |
| CAQ | CAX | sing | 1.55Å | 1.31Å | |
| CAQ | CAA | sing | 1.53Å | 1.60Å | |
| CAX | CBA | sing | 1.53Å | 1.46Å | |
| CAF | CAG | doub | 1.38Å | 1.33Å | Aromatic |
| CBA | CAW | sing | 1.51Å | 1.61Å | |
| CAW | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.38Å | 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 | |
| CAX | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| NAM | H11 | sing | 1.01Å | 1.00Å | |
| NAL | H12 | sing | 0.97Å | 1.00Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLD | CAR | CAI | 121.2° | 119.7° |
| CLD | CAR | CAT | 118.5° | 119.8° |
| CAR | CAI | CAK | 119.5° | 120.4° |
| CAI | CAR | CAT | 120.3° | 120.5° |
| CAR | CAI | H14 | 120.2° | 119.8° |
| CAI | CAK | CAY | 119.8° | 119.9° |
| CAI | CAK | H13 | 120.1° | 120.1° |
| CAK | CAI | H14 | 120.2° | 119.8° |
| CAR | CAT | CLE | 119.7° | 120.2° |
| CAR | CAT | CAZ | 120.4° | 119.7° |
| CAK | CAY | CAZ | 120.2° | 119.9° |
| CAK | CAY | NAL | 132.0° | 133.9° |
| CAY | CAK | H13 | 120.1° | 120.0° |
| CLE | CAT | CAZ | 119.9° | 120.1° |
| CAT | CAZ | CAY | 119.8° | 119.5° |
| CAT | CAZ | NAN | 132.1° | 133.4° |
| CAZ | CAY | NAL | 107.8° | 106.1° |
| CAY | CAZ | NAN | 108.1° | 107.1° |
| CAY | NAL | CAV | 107.4° | 107.2° |
| CAY | NAL | H12 | 126.3° | 126.4° |
| CAZ | NAN | CAV | 106.8° | 109.6° |
| OAB | CAP | OAO | 127.6° | 124.9° |
| OAB | CAP | CAU | 126.6° | 124.9° |
| NAL | CAV | NAN | 109.9° | 109.9° |
| NAL | CAV | NBB | 125.8° | 125.0° |
| CAV | NAL | H12 | 126.3° | 126.4° |
| NAN | CAV | NBB | 124.3° | 125.1° |
| CAV | NBB | NAM | 126.4° | 123.5° |
| CAV | NBB | CAS | 126.0° | 123.6° |
| OAO | CAP | CAU | 105.8° | 110.2° |
| CAP | OAO | CBA | 111.9° | 109.0° |
| CAP | CAU | CAH | 131.4° | 132.6° |
| CAP | CAU | CAW | 107.4° | 108.0° |
| NAM | NBB | CAS | 107.6° | 112.9° |
| NBB | NAM | CAQ | 105.6° | 107.8° |
| NBB | NAM | H11 | 110.4° | 110.8° |
| NBB | CAS | OAC | 125.0° | 126.0° |
| NBB | CAS | CAX | 106.3° | 107.9° |
| OAO | CBA | CAX | 102.0° | 110.1° |
| OAO | CBA | CAW | 91.3° | 106.4° |
| OAO | CBA | H5 | 114.5° | 110.1° |
| OAC | CAS | CAX | 128.6° | 126.0° |
| CAU | CAH | CAF | 119.7° | 119.8° |
| CAH | CAU | CAW | 121.1° | 119.4° |
| CAU | CAH | H1 | 120.2° | 120.1° |
| CAH | CAF | CAG | 120.1° | 120.3° |
| CAF | CAH | H1 | 120.2° | 120.1° |
| CAH | CAF | H2 | 120.0° | 119.8° |
| NAM | CAQ | CAX | 103.7° | 101.9° |
| NAM | CAQ | CAA | 104.0° | 110.9° |
| NAM | CAQ | H7 | 110.3° | 111.0° |
| CAQ | NAM | H11 | 110.4° | 111.0° |
| CAS | CAX | CAQ | 114.2° | 102.4° |
| CAS | CAX | CBA | 115.7° | 110.9° |
| CAS | CAX | H6 | 96.3° | 110.9° |
| CAU | CAW | CBA | 116.0° | 106.3° |
| CAU | CAW | CAJ | 118.3° | 120.3° |
| CAX | CAQ | CAA | 115.7° | 111.0° |
| CAQ | CAX | CBA | 126.2° | 110.8° |
| CAQ | CAX | H6 | 97.1° | 110.8° |
| CAX | CAQ | H7 | 113.4° | 110.9° |
| CAA | CAQ | H7 | 109.1° | 110.9° |
| CAQ | CAA | H8 | 109.5° | 109.5° |
| CAQ | CAA | H9 | 109.5° | 109.5° |
| CAQ | CAA | H10 | 109.5° | 109.5° |
| CAX | CBA | CAW | 112.5° | 110.1° |
| CAX | CBA | H5 | 117.8° | 110.1° |
| CBA | CAX | H6 | 96.4° | 110.7° |
| CAF | CAG | CAJ | 119.6° | 120.2° |
| CAG | CAF | H2 | 120.0° | 119.9° |
| CAF | CAG | H3 | 120.2° | 119.9° |
| CBA | CAW | CAJ | 125.7° | 133.4° |
| CAW | CBA | H5 | 115.0° | 110.0° |
| CAW | CAJ | CAG | 121.2° | 119.9° |
| CAW | CAJ | H4 | 119.4° | 120.0° |
| CAJ | CAG | H3 | 120.2° | 119.9° |
| CAG | CAJ | H4 | 119.4° | 120.1° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLD | CAR | CAI | CAT | 179.7° | 180.0° |
| CLD | CAR | CAI | CAK | 180.0° | 180.0° |
| CLD | CAR | CAT | CLE | 0.2° | 0.0° |
| CLD | CAR | CAT | CAZ | 179.9° | 180.0° |
| CLD | CAR | CAI | H14 | 0.1° | 0.0° |
| CAR | CAI | CAK | H14 | 180.0° | 180.0° |
| CAR | CAI | CAK | CAY | 0.1° | 0.0° |
| CAI | CAR | CAT | CLE | 179.8° | 180.0° |
| CAI | CAR | CAT | CAZ | 0.5° | 0.0° |
| CAR | CAI | CAK | H13 | 179.9° | 180.0° |
| CAK | CAI | CAR | CAT | 0.4° | 0.0° |
| CAI | CAK | CAY | H13 | 180.0° | 180.0° |
| CAI | CAK | CAY | CAZ | 0.0° | 0.0° |
| CAI | CAK | CAY | NAL | 179.9° | 179.7° |
| CAR | CAT | CLE | CAZ | 179.7° | 180.0° |
| CAR | CAT | CAZ | CAY | 0.3° | 0.0° |
| CAR | CAT | CAZ | NAN | 179.8° | 180.0° |
| CAT | CAR | CAI | H14 | 179.6° | 180.0° |
| CAK | CAY | CAZ | CAT | 0.1° | 0.0° |
| CAK | CAY | CAZ | NAL | 180.0° | 179.8° |
| CAK | CAY | CAZ | NAN | 180.0° | 180.0° |
| CAK | CAY | NAL | CAV | 179.8° | 179.7° |
| CAK | CAY | NAL | H12 | 0.2° | 0.2° |
| CAY | CAK | CAI | H14 | 179.9° | 180.0° |
| CLE | CAT | CAZ | CAY | 180.0° | 180.0° |
| CLE | CAT | CAZ | NAN | 0.1° | 0.0° |
| CAT | CAZ | CAY | NAN | 179.9° | 180.0° |
| CAT | CAZ | CAY | NAL | 180.0° | 179.8° |
| CAT | CAZ | NAN | CAV | 179.8° | 179.6° |
| CAZ | CAY | NAL | CAV | 0.2° | 0.0° |
| CAY | CAZ | NAN | CAV | 0.2° | 0.4° |
| CAZ | CAY | NAL | H12 | 179.8° | 179.9° |
| CAZ | CAY | CAK | H13 | 180.0° | 180.0° |
| NAL | CAY | CAZ | NAN | 0.0° | 0.2° |
| CAY | NAL | CAV | H12 | 180.0° | 179.9° |
| CAY | NAL | CAV | NAN | 0.3° | 0.3° |
| CAY | NAL | CAV | NBB | 179.4° | 179.9° |
| NAL | CAY | CAK | H13 | 0.1° | 0.3° |
| CAZ | NAN | CAV | NAL | 0.3° | 0.4° |
| CAZ | NAN | CAV | NBB | 179.5° | 179.9° |
| OAB | CAP | OAO | CAU | 179.1° | 179.9° |
| OAB | CAP | OAO | CBA | 151.1° | 179.9° |
| OAB | CAP | CAU | CAH | 16.9° | 0.1° |
| OAB | CAP | CAU | CAW | 163.1° | 180.0° |
| NAL | CAV | NAN | NBB | 179.2° | 179.7° |
| NAL | CAV | NBB | NAM | 176.0° | 0.1° |
| NAL | CAV | NBB | CAS | 4.3° | 179.9° |
| NAN | CAV | NBB | NAM | 5.0° | 179.7° |
| NAN | CAV | NBB | CAS | 174.7° | 0.5° |
| NAN | CAV | NAL | H12 | 179.7° | 179.8° |
| CAV | NBB | NAM | CAS | 179.7° | 179.8° |
| CAV | NBB | CAS | OAC | 0.2° | 1.8° |
| CAV | NBB | NAM | CAQ | 168.2° | 161.4° |
| CAV | NBB | CAS | CAX | 176.7° | 178.3° |
| CAV | NBB | NAM | H11 | 72.4° | 76.9° |
| NBB | CAV | NAL | H12 | 0.5° | 0.2° |
| OAO | CAP | CAU | CAH | 164.0° | 180.0° |
| OAO | CAP | CAU | CAW | 16.0° | 0.0° |
| CAP | OAO | CBA | CAX | 87.1° | 119.3° |
| CAP | OAO | CBA | CAW | 26.2° | 0.1° |
| CAP | OAO | CBA | H5 | 144.5° | 119.2° |
| CAU | CAP | OAO | CBA | 28.0° | 0.0° |
| CAP | CAU | CAH | CAW | 180.0° | 180.0° |
| CAP | CAU | CAH | CAF | 179.8° | 180.0° |
| CAP | CAU | CAW | CBA | 2.2° | 0.1° |
| CAP | CAU | CAW | CAJ | 179.8° | 180.0° |
| CAP | CAU | CAH | H1 | 0.2° | 0.3° |
| NAM | NBB | CAS | OAC | 179.9° | 178.3° |
| NBB | NAM | CAQ | H11 | 119.4° | 121.6° |
| NAM | NBB | CAS | CAX | 3.6° | 1.6° |
| NBB | NAM | CAQ | CAX | 16.1° | 26.1° |
| NBB | NAM | CAQ | CAA | 137.5° | 144.3° |
| NBB | NAM | CAQ | H7 | 105.6° | 92.0° |
| NBB | CAS | OAC | CAX | 175.8° | 179.9° |
| CAS | NBB | NAM | CAQ | 12.0° | 18.4° |
| NBB | CAS | CAX | CAQ | 7.8° | 14.8° |
| NBB | CAS | CAX | CBA | 166.8° | 133.0° |
| NBB | CAS | CAX | H6 | 92.9° | 103.5° |
| CAS | NBB | NAM | H11 | 107.4° | 103.2° |
| OAO | CBA | CAX | CAS | 50.2° | 65.2° |
| OAO | CBA | CAW | CAU | 16.0° | 0.1° |
| OAO | CBA | CAX | CAQ | 106.0° | 47.8° |
| OAO | CBA | CAX | CAW | 96.5° | 117.0° |
| OAO | CBA | CAX | H5 | 126.2° | 121.5° |
| OAO | CBA | CAW | H5 | 117.9° | 119.2° |
| OAO | CBA | CAW | CAJ | 166.1° | 180.0° |
| OAO | CBA | CAX | H6 | 150.4° | 171.2° |
| OAC | CAS | CAX | CAQ | 168.6° | 165.3° |
| OAC | CAS | CAX | CBA | 9.6° | 47.1° |
| OAC | CAS | CAX | H6 | 90.7° | 76.4° |
| CAU | CAH | CAF | H1 | 180.0° | 179.8° |
| CAU | CAH | CAF | CAG | 0.1° | 0.1° |
| CAH | CAU | CAW | CBA | 177.8° | 180.0° |
| CAH | CAU | CAW | CAJ | 0.2° | 0.0° |
| CAU | CAH | CAF | H2 | 180.0° | 180.0° |
| CAF | CAH | CAU | CAW | 0.2° | 0.1° |
| CAH | CAF | CAG | H2 | 180.0° | 179.9° |
| CAH | CAF | CAG | CAJ | 0.3° | 0.1° |
| CAH | CAF | CAG | H3 | 179.7° | 180.0° |
| NAM | CAQ | CAX | CAS | 14.9° | 23.9° |
| NAM | CAQ | CAX | CAA | 113.2° | 118.1° |
| NAM | CAQ | CAX | H7 | 119.6° | 118.2° |
| NAM | CAQ | CAA | H7 | 117.7° | 123.8° |
| NAM | CAQ | CAX | CBA | 171.3° | 142.2° |
| NAM | CAQ | CAX | H6 | 85.3° | 94.5° |
| NAM | CAQ | CAA | H8 | 180.0° | 52.5° |
| NAM | CAQ | CAA | H9 | 60.0° | 67.5° |
| NAM | CAQ | CAA | H10 | 60.0° | 172.5° |
| CAS | CAX | CAQ | CBA | 156.4° | 118.3° |
| CAS | CAX | CAQ | H6 | 100.2° | 118.3° |
| CAS | CAX | CAQ | CAA | 128.1° | 142.0° |
| CAS | CAX | CBA | H6 | 100.2° | 123.6° |
| CAS | CAX | CBA | CAW | 146.7° | 177.7° |
| CAS | CAX | CBA | H5 | 76.0° | 56.3° |
| CAS | CAX | CAQ | H7 | 104.7° | 94.3° |
| CAU | CAW | CBA | CAX | 87.5° | 119.2° |
| CAU | CAW | CBA | CAJ | 177.8° | 179.9° |
| CAU | CAW | CAJ | CAG | 0.1° | 0.0° |
| CAW | CAU | CAH | H1 | 179.8° | 179.7° |
| CAU | CAW | CAJ | H4 | 179.9° | 179.9° |
| CAU | CAW | CBA | H5 | 133.9° | 119.3° |
| CAX | CAQ | CAA | H7 | 129.3° | 123.8° |
| CAQ | CAX | CBA | H6 | 103.7° | 123.4° |
| CAQ | CAX | CBA | CAW | 9.4° | 69.3° |
| CAQ | CAX | CBA | H5 | 127.9° | 169.3° |
| CAX | CAQ | CAA | H8 | 67.0° | 60.0° |
| CAX | CAQ | CAA | H9 | 53.0° | 180.0° |
| CAX | CAQ | CAA | H10 | 173.0° | 60.0° |
| CAX | CAQ | NAM | H11 | 103.3° | 95.4° |
| CAA | CAQ | CAX | CBA | 75.4° | 99.7° |
| CAA | CAQ | CAX | H6 | 27.9° | 23.7° |
| CAQ | CAA | H8 | H9 | 120.0° | 120.0° |
| CAQ | CAA | H8 | H10 | 120.0° | 120.0° |
| CAQ | CAA | H9 | H10 | 120.0° | 120.0° |
| CAA | CAQ | NAM | H11 | 18.1° | 22.7° |
| CAX | CBA | CAW | H5 | 138.6° | 121.5° |
| CAX | CBA | CAW | CAJ | 90.3° | 60.7° |
| CBA | CAX | CAQ | H7 | 51.8° | 24.0° |
| CAF | CAG | CAJ | CAW | 0.3° | 0.0° |
| CAF | CAG | CAJ | H3 | 180.0° | 179.9° |
| CAG | CAF | CAH | H1 | 179.9° | 179.7° |
| CAF | CAG | CAJ | H4 | 179.7° | 179.9° |
| CBA | CAW | CAJ | CAG | 177.9° | 179.9° |
| CBA | CAW | CAJ | H4 | 2.1° | 0.0° |
| CAW | CBA | CAX | H6 | 113.1° | 54.1° |
| CAW | CAJ | CAG | H4 | 180.0° | 180.0° |
| CAW | CAJ | CAG | H3 | 179.7° | 179.9° |
| CAJ | CAW | CBA | H5 | 48.2° | 60.8° |
| CAJ | CAG | CAF | H2 | 179.7° | 180.0° |
| H1 | CAH | CAF | H2 | 0.1° | 0.2° |
| H2 | CAF | CAG | H3 | 0.3° | 0.1° |
| H3 | CAG | CAJ | H4 | 0.3° | 0.0° |
| H5 | CBA | CAX | H6 | 24.2° | 67.3° |
| H6 | CAX | CAQ | H7 | 155.1° | 147.4° |
| H7 | CAQ | CAA | H8 | 62.3° | 176.3° |
| H7 | CAQ | CAA | H9 | 177.6° | 56.2° |
| H7 | CAQ | CAA | H10 | 57.7° | 63.7° |
| H7 | CAQ | NAM | H11 | 134.9° | 146.4° |
| H8 | CAA | H9 | H10 | 120.0° | 120.0° |
| H13 | CAK | CAI | H14 | 0.1° | 0.1° |
