A1EFZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAX | NAW | doub | 1.31Å | 1.33Å | Aromatic |
| CAX | NAT | sing | 1.35Å | 1.33Å | Aromatic |
| NAW | CAV | sing | 1.34Å | 1.32Å | Aromatic |
| CAS | NAT | sing | 1.47Å | 1.54Å | |
| CAS | CAP | sing | 1.51Å | 1.43Å | |
| NAT | CAU | sing | 1.37Å | 1.34Å | Aromatic |
| CBB | OBA | sing | 1.43Å | 1.43Å | |
| OBA | CAO | sing | 1.36Å | 1.36Å | |
| CAV | CAU | doub | 1.35Å | 1.33Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| OAY | CAQ | sing | 1.36Å | 1.35Å | |
| OAY | CAZ | sing | 1.43Å | 1.43Å | |
| CAQ | CAR | doub | 1.39Å | 1.42Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAR | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAI | sing | 1.48Å | 1.34Å | |
| CAI | CAH | sing | 1.39Å | 1.33Å | Aromatic |
| CAI | CAE | doub | 1.41Å | 1.35Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.34Å | Aromatic |
| CBC | CAK | sing | 1.53Å | 1.50Å | |
| CAK | CAJ | sing | 1.51Å | 1.53Å | |
| CAE | CAF | sing | 1.40Å | 1.34Å | Aromatic |
| CAE | NAD | sing | 1.37Å | 1.35Å | Aromatic |
| CAG | CAJ | sing | 1.40Å | 1.36Å | |
| CAG | NAD | sing | 1.38Å | 1.35Å | Aromatic |
| CAF | CAA | doub | 1.36Å | 1.39Å | Aromatic |
| CAJ | OAL | doub | 1.22Å | 1.24Å | |
| NAD | CAC | sing | 1.36Å | 1.43Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.38Å | Aromatic |
| CAC | CAB | doub | 1.35Å | 1.38Å | Aromatic |
| CBC | H1 | sing | 1.09Å | 1.10Å | |
| CBC | H2 | sing | 1.09Å | 1.10Å | |
| CBC | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAR | H11 | sing | 1.08Å | 1.08Å | |
| CAZ | H12 | sing | 1.09Å | 1.10Å | |
| CAZ | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.08Å | 1.08Å | |
| CBB | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| CBB | H18 | sing | 1.09Å | 1.10Å | |
| CAS | H19 | sing | 1.09Å | 1.10Å | |
| CAS | H20 | sing | 1.09Å | 1.10Å | |
| CAU | H21 | sing | 1.08Å | 1.08Å | |
| CAV | H22 | sing | 1.08Å | 1.08Å | |
| CAX | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAW | CAX | NAT | 108.8° | 108.7° |
| CAX | NAW | CAV | 108.3° | 109.2° |
| NAW | CAX | H23 | 125.6° | 125.6° |
| CAX | NAT | CAS | 124.2° | 126.4° |
| CAX | NAT | CAU | 106.2° | 107.2° |
| NAT | CAX | H23 | 125.6° | 125.7° |
| NAW | CAV | CAU | 107.2° | 108.0° |
| NAW | CAV | H22 | 126.4° | 126.0° |
| NAT | CAS | CAP | 114.8° | 109.5° |
| CAS | NAT | CAU | 129.6° | 126.4° |
| NAT | CAS | H19 | 108.1° | 109.4° |
| NAT | CAS | H20 | 108.1° | 109.5° |
| CAS | CAP | CAO | 121.0° | 119.9° |
| CAS | CAP | CAQ | 122.3° | 119.9° |
| CAP | CAS | H19 | 108.1° | 109.5° |
| CAP | CAS | H20 | 108.1° | 109.5° |
| NAT | CAU | CAV | 109.5° | 106.8° |
| NAT | CAU | H21 | 125.2° | 126.6° |
| CBB | OBA | CAO | 121.3° | 117.0° |
| OBA | CBB | H16 | 109.5° | 109.5° |
| OBA | CBB | H17 | 109.5° | 109.5° |
| OBA | CBB | H18 | 109.4° | 109.5° |
| OBA | CAO | CAP | 114.7° | 119.9° |
| OBA | CAO | CAN | 123.6° | 119.9° |
| CAV | CAU | H21 | 125.3° | 126.6° |
| CAU | CAV | H22 | 126.4° | 126.0° |
| CAO | CAP | CAQ | 116.7° | 120.1° |
| CAP | CAO | CAN | 121.7° | 120.1° |
| CAP | CAQ | OAY | 115.7° | 120.0° |
| CAP | CAQ | CAR | 122.2° | 120.1° |
| CAO | CAN | CAM | 122.0° | 119.9° |
| CAO | CAN | H15 | 119.0° | 120.0° |
| CAQ | OAY | CAZ | 115.5° | 117.0° |
| OAY | CAQ | CAR | 122.2° | 120.0° |
| OAY | CAZ | H12 | 109.5° | 109.5° |
| OAY | CAZ | H13 | 109.5° | 109.5° |
| OAY | CAZ | H14 | 109.5° | 109.5° |
| CAQ | CAR | CAM | 120.9° | 119.9° |
| CAQ | CAR | H11 | 119.6° | 120.1° |
| CAN | CAM | CAR | 116.6° | 119.9° |
| CAN | CAM | CAI | 119.6° | 120.1° |
| CAM | CAN | H15 | 119.0° | 120.1° |
| CAR | CAM | CAI | 123.7° | 120.0° |
| CAM | CAR | H11 | 119.6° | 120.1° |
| CAM | CAI | CAH | 124.2° | 126.3° |
| CAM | CAI | CAE | 127.1° | 126.3° |
| CAH | CAI | CAE | 108.6° | 107.4° |
| CAI | CAH | CAG | 108.0° | 107.5° |
| CAI | CAH | H6 | 126.0° | 126.2° |
| CAI | CAE | CAF | 135.1° | 131.9° |
| CAI | CAE | NAD | 107.5° | 108.1° |
| CAH | CAG | CAJ | 126.0° | 125.8° |
| CAH | CAG | NAD | 108.3° | 108.4° |
| CAG | CAH | H6 | 126.0° | 126.2° |
| CBC | CAK | CAJ | 101.9° | 109.4° |
| CAK | CBC | H1 | 109.5° | 109.5° |
| CAK | CBC | H2 | 109.5° | 109.4° |
| CAK | CBC | H3 | 109.4° | 109.5° |
| CBC | CAK | H4 | 111.3° | 109.4° |
| CBC | CAK | H5 | 111.4° | 109.5° |
| CAK | CAJ | CAG | 117.6° | 120.0° |
| CAK | CAJ | OAL | 117.9° | 120.0° |
| CAJ | CAK | H4 | 111.3° | 109.5° |
| CAJ | CAK | H5 | 111.3° | 109.5° |
| CAF | CAE | NAD | 117.5° | 120.0° |
| CAE | CAF | CAA | 122.1° | 119.4° |
| CAE | CAF | H10 | 118.9° | 120.3° |
| CAE | NAD | CAG | 107.6° | 108.5° |
| CAE | NAD | CAC | 122.8° | 120.1° |
| CAJ | CAG | NAD | 125.7° | 125.8° |
| CAG | CAJ | OAL | 124.4° | 120.0° |
| CAG | NAD | CAC | 129.6° | 131.4° |
| CAF | CAA | CAB | 121.4° | 119.5° |
| CAF | CAA | H9 | 119.3° | 120.3° |
| CAA | CAF | H10 | 119.0° | 120.3° |
| NAD | CAC | CAB | 118.7° | 120.8° |
| NAD | CAC | H7 | 120.6° | 119.6° |
| CAA | CAB | CAC | 117.4° | 120.2° |
| CAA | CAB | H8 | 121.3° | 119.9° |
| CAB | CAA | H9 | 119.3° | 120.2° |
| CAB | CAC | H7 | 120.6° | 119.7° |
| CAC | CAB | H8 | 121.3° | 119.8° |
| H1 | CBC | H2 | 109.5° | 109.5° |
| H1 | CBC | H3 | 109.5° | 109.5° |
| H2 | CBC | H3 | 109.5° | 109.4° |
| H4 | CAK | H5 | 109.4° | 109.5° |
| H12 | CAZ | H13 | 109.4° | 109.4° |
| H12 | CAZ | H14 | 109.5° | 109.5° |
| H13 | CAZ | H14 | 109.5° | 109.4° |
| H16 | CBB | H17 | 109.5° | 109.5° |
| H16 | CBB | H18 | 109.4° | 109.5° |
| H17 | CBB | H18 | 109.5° | 109.4° |
| H19 | CAS | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAW | CAX | NAT | H23 | 180.0° | 179.6° |
| NAW | CAX | NAT | CAS | 179.2° | 179.8° |
| NAW | CAX | NAT | CAU | 0.4° | 0.4° |
| CAX | NAW | CAV | CAU | 0.0° | 0.2° |
| CAX | NAW | CAV | H22 | 180.0° | 179.8° |
| NAT | CAX | NAW | CAV | 0.3° | 0.4° |
| CAX | NAT | CAS | CAU | 178.5° | 179.7° |
| CAX | NAT | CAS | CAP | 178.8° | 90.3° |
| CAX | NAT | CAU | CAV | 0.4° | 0.2° |
| CAX | NAT | CAS | H19 | 60.4° | 149.7° |
| CAX | NAT | CAS | H20 | 58.0° | 29.7° |
| CAX | NAT | CAU | H21 | 179.6° | 179.8° |
| NAW | CAV | CAU | NAT | 0.3° | 0.0° |
| NAW | CAV | CAU | H22 | 180.0° | 180.0° |
| NAW | CAV | CAU | H21 | 179.7° | 179.9° |
| CAV | NAW | CAX | H23 | 179.7° | 180.0° |
| NAT | CAS | CAP | H19 | 120.8° | 119.9° |
| NAT | CAS | CAP | H20 | 120.8° | 120.0° |
| CAS | NAT | CAU | CAV | 179.1° | 180.0° |
| NAT | CAS | CAP | CAO | 90.4° | 90.0° |
| NAT | CAS | CAP | CAQ | 89.7° | 90.2° |
| NAT | CAS | H19 | H20 | 117.6° | 120.0° |
| CAS | NAT | CAU | H21 | 0.9° | 0.0° |
| CAS | NAT | CAX | H23 | 0.8° | 0.2° |
| CAP | CAS | NAT | CAU | 0.3° | 90.0° |
| CAS | CAP | CAO | OBA | 1.6° | 0.0° |
| CAS | CAP | CAO | CAQ | 180.0° | 179.8° |
| CAS | CAP | CAO | CAN | 179.3° | 180.0° |
| CAS | CAP | CAQ | OAY | 0.3° | 0.0° |
| CAS | CAP | CAQ | CAR | 179.3° | 180.0° |
| CAP | CAS | H19 | H20 | 117.6° | 120.0° |
| NAT | CAU | CAV | H21 | 180.0° | 179.9° |
| CAU | NAT | CAS | H19 | 121.0° | 30.0° |
| CAU | NAT | CAS | H20 | 120.5° | 150.0° |
| NAT | CAU | CAV | H22 | 179.7° | 180.0° |
| CAU | NAT | CAX | H23 | 179.6° | 180.0° |
| CBB | OBA | CAO | CAP | 149.7° | 179.9° |
| CBB | OBA | CAO | CAN | 32.7° | 0.0° |
| OBA | CBB | H16 | H17 | 120.0° | 120.0° |
| OBA | CBB | H16 | H18 | 120.0° | 120.0° |
| OBA | CBB | H17 | H18 | 120.0° | 120.0° |
| OBA | CAO | CAP | CAN | 177.7° | 180.0° |
| OBA | CAO | CAP | CAQ | 178.4° | 179.8° |
| OBA | CAO | CAN | CAM | 179.0° | 180.0° |
| OBA | CAO | CAN | H15 | 1.0° | 0.0° |
| CAO | OBA | CBB | H16 | 180.0° | 60.0° |
| CAO | OBA | CBB | H17 | 60.0° | 60.0° |
| CAO | OBA | CBB | H18 | 60.0° | 180.0° |
| CAO | CAP | CAQ | OAY | 179.6° | 179.8° |
| CAO | CAP | CAQ | CAR | 0.7° | 0.2° |
| CAP | CAO | CAN | CAM | 1.6° | 0.1° |
| CAP | CAO | CAN | H15 | 178.5° | 180.0° |
| CAO | CAP | CAS | H19 | 148.8° | 150.1° |
| CAO | CAP | CAS | H20 | 30.4° | 30.0° |
| CAQ | CAP | CAO | CAN | 0.7° | 0.2° |
| CAP | CAQ | OAY | CAR | 178.9° | 179.9° |
| CAP | CAQ | OAY | CAZ | 130.6° | 180.0° |
| CAP | CAQ | CAR | CAM | 1.3° | 0.0° |
| CAP | CAQ | CAR | H11 | 178.6° | 180.0° |
| CAQ | CAP | CAS | H19 | 31.1° | 29.7° |
| CAQ | CAP | CAS | H20 | 149.6° | 149.8° |
| CAO | CAN | CAM | H15 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAR | 0.9° | 0.3° |
| CAO | CAN | CAM | CAI | 179.0° | 180.0° |
| OAY | CAQ | CAR | CAM | 179.8° | 180.0° |
| OAY | CAQ | CAR | H11 | 0.2° | 0.0° |
| CAQ | OAY | CAZ | H12 | 180.0° | 60.0° |
| CAQ | OAY | CAZ | H13 | 60.0° | 60.0° |
| CAQ | OAY | CAZ | H14 | 60.0° | 180.0° |
| CAZ | OAY | CAQ | CAR | 50.5° | 0.0° |
| OAY | CAZ | H12 | H13 | 120.0° | 120.0° |
| OAY | CAZ | H12 | H14 | 120.0° | 120.0° |
| OAY | CAZ | H13 | H14 | 120.0° | 120.0° |
| CAQ | CAR | CAM | CAN | 0.5° | 0.2° |
| CAQ | CAR | CAM | H11 | 180.0° | 180.0° |
| CAQ | CAR | CAM | CAI | 177.5° | 180.0° |
| CAN | CAM | CAR | CAI | 178.1° | 179.7° |
| CAN | CAM | CAI | CAH | 37.8° | 129.7° |
| CAN | CAM | CAI | CAE | 138.0° | 50.0° |
| CAN | CAM | CAR | H11 | 179.5° | 179.8° |
| CAR | CAM | CAI | CAH | 144.2° | 50.0° |
| CAR | CAM | CAI | CAE | 40.0° | 130.2° |
| CAR | CAM | CAN | H15 | 179.1° | 179.8° |
| CAM | CAI | CAH | CAE | 176.4° | 179.8° |
| CAM | CAI | CAH | CAG | 177.7° | 180.0° |
| CAM | CAI | CAE | CAF | 2.7° | 0.0° |
| CAM | CAI | CAE | NAD | 177.4° | 179.8° |
| CAM | CAI | CAH | H6 | 2.3° | 0.1° |
| CAI | CAM | CAR | H11 | 2.5° | 0.0° |
| CAI | CAM | CAN | H15 | 1.0° | 0.0° |
| CAI | CAH | CAG | H6 | 180.0° | 180.0° |
| CAH | CAI | CAE | CAF | 179.1° | 179.8° |
| CAH | CAI | CAE | NAD | 1.1° | 0.1° |
| CAI | CAH | CAG | CAJ | 179.3° | 179.9° |
| CAI | CAH | CAG | NAD | 0.9° | 0.3° |
| CAE | CAI | CAH | CAG | 1.3° | 0.2° |
| CAI | CAE | CAF | NAD | 179.8° | 179.8° |
| CAI | CAE | NAD | CAG | 0.5° | 0.1° |
| CAI | CAE | CAF | CAA | 179.5° | 179.8° |
| CAI | CAE | NAD | CAC | 179.5° | 179.8° |
| CAE | CAI | CAH | H6 | 178.7° | 179.8° |
| CAI | CAE | CAF | H10 | 0.5° | 0.2° |
| CAH | CAG | CAJ | CAK | 12.5° | 0.2° |
| CAH | CAG | NAD | CAE | 0.2° | 0.2° |
| CAH | CAG | CAJ | NAD | 178.1° | 179.8° |
| CAH | CAG | CAJ | OAL | 171.4° | 179.7° |
| CAH | CAG | NAD | CAC | 179.7° | 179.7° |
| CBC | CAK | CAJ | H4 | 118.8° | 119.9° |
| CBC | CAK | CAJ | H5 | 118.8° | 120.0° |
| CBC | CAK | CAJ | CAG | 91.6° | 180.0° |
| CBC | CAK | CAJ | OAL | 92.0° | 0.1° |
| CAK | CBC | H1 | H2 | 120.0° | 120.0° |
| CAK | CBC | H1 | H3 | 120.0° | 120.0° |
| CAK | CBC | H2 | H3 | 119.9° | 119.9° |
| CBC | CAK | H4 | H5 | 123.6° | 120.0° |
| CAK | CAJ | CAG | OAL | 176.1° | 179.9° |
| CAK | CAJ | CAG | NAD | 165.7° | 180.0° |
| CAJ | CAK | CBC | H1 | 180.0° | 60.0° |
| CAJ | CAK | CBC | H2 | 60.0° | 60.1° |
| CAJ | CAK | CBC | H3 | 60.0° | 180.0° |
| CAJ | CAK | H4 | H5 | 123.5° | 120.1° |
| CAF | CAE | NAD | CAG | 179.6° | 180.0° |
| CAE | CAF | CAA | H10 | 180.0° | 180.0° |
| CAF | CAE | NAD | CAC | 0.3° | 0.0° |
| CAE | CAF | CAA | CAB | 0.6° | 0.0° |
| CAE | CAF | CAA | H9 | 179.4° | 179.9° |
| CAE | NAD | CAG | CAJ | 178.7° | 180.0° |
| CAE | NAD | CAG | CAC | 179.9° | 179.9° |
| NAD | CAE | CAF | CAA | 0.3° | 0.0° |
| CAE | NAD | CAC | CAB | 0.7° | 0.1° |
| CAE | NAD | CAC | H7 | 179.3° | 180.0° |
| NAD | CAE | CAF | H10 | 179.7° | 180.0° |
| CAJ | CAG | NAD | CAC | 1.3° | 0.1° |
| CAG | CAJ | CAK | H4 | 149.6° | 60.1° |
| CAG | CAJ | CAK | H5 | 27.2° | 60.0° |
| CAJ | CAG | CAH | H6 | 0.7° | 0.0° |
| NAD | CAG | CAJ | OAL | 10.5° | 0.1° |
| CAG | NAD | CAC | CAB | 179.2° | 180.0° |
| NAD | CAG | CAH | H6 | 179.1° | 179.8° |
| CAG | NAD | CAC | H7 | 0.8° | 0.1° |
| CAF | CAA | CAB | H9 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 0.9° | 0.1° |
| CAF | CAA | CAB | H8 | 179.1° | 180.0° |
| OAL | CAJ | CAK | H4 | 26.8° | 120.0° |
| OAL | CAJ | CAK | H5 | 149.2° | 120.0° |
| NAD | CAC | CAB | CAA | 1.0° | 0.1° |
| NAD | CAC | CAB | H7 | 180.0° | 179.9° |
| NAD | CAC | CAB | H8 | 179.1° | 180.0° |
| CAA | CAB | CAC | H8 | 180.0° | 179.9° |
| CAA | CAB | CAC | H7 | 179.0° | 180.0° |
| CAB | CAA | CAF | H10 | 179.4° | 180.0° |
| CAC | CAB | CAA | H9 | 179.0° | 179.9° |
| H1 | CBC | H2 | H3 | 120.0° | 120.1° |
| H1 | CBC | CAK | H4 | 61.2° | 60.0° |
| H1 | CBC | CAK | H5 | 61.2° | 180.0° |
| H2 | CBC | CAK | H4 | 58.8° | 180.0° |
| H2 | CBC | CAK | H5 | 178.7° | 60.0° |
| H3 | CBC | CAK | H4 | 178.8° | 60.0° |
| H3 | CBC | CAK | H5 | 58.8° | 60.0° |
| H7 | CAC | CAB | H8 | 1.0° | 0.1° |
| H8 | CAB | CAA | H9 | 0.9° | 0.0° |
| H9 | CAA | CAF | H10 | 0.6° | 0.1° |
| H12 | CAZ | H13 | H14 | 120.0° | 120.0° |
| H16 | CBB | H17 | H18 | 120.0° | 120.0° |
| H21 | CAU | CAV | H22 | 0.3° | 0.1° |






