A1EF0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAV | sing | 1.43Å | 1.43Å | |
| OAU | CAO | sing | 1.36Å | 1.37Å | |
| CAB | CAA | doub | 1.36Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.40Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.35Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAD | doub | 1.35Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | OAS | sing | 1.36Å | 1.38Å | |
| CAQ | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAF | CAI | doub | 1.41Å | 1.36Å | Aromatic |
| CAF | NAE | sing | 1.37Å | 1.36Å | Aromatic |
| OAS | CAT | sing | 1.43Å | 1.42Å | |
| CAM | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | CAI | sing | 1.48Å | 1.38Å | |
| CAD | NAE | sing | 1.36Å | 1.42Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.35Å | Aromatic |
| NAE | CAG | sing | 1.38Å | 1.35Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.36Å | Aromatic |
| CAG | CAJ | sing | 1.40Å | 1.37Å | |
| OAK | CAJ | doub | 1.22Å | 1.24Å | |
| CAJ | CAL | sing | 1.51Å | 1.53Å | |
| CAL | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.09Å | 1.10Å | |
| CAV | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å | |
| CAT | H15 | sing | 1.09Å | 1.10Å | |
| CAT | H16 | sing | 1.09Å | 1.10Å | |
| CAT | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | OAU | CAO | 118.4° | 117.0° |
| OAU | CAV | H11 | 109.5° | 109.5° |
| OAU | CAV | H12 | 109.5° | 109.5° |
| OAU | CAV | H13 | 109.5° | 109.5° |
| OAU | CAO | CAP | 121.7° | 120.0° |
| OAU | CAO | CAN | 118.8° | 120.0° |
| CAA | CAB | CAC | 121.0° | 119.5° |
| CAB | CAA | CAF | 121.2° | 119.4° |
| CAA | CAB | H7 | 119.5° | 120.2° |
| CAB | CAA | H8 | 119.4° | 120.4° |
| CAB | CAC | CAD | 118.2° | 120.3° |
| CAB | CAC | H6 | 120.9° | 119.9° |
| CAC | CAB | H7 | 119.5° | 120.3° |
| CAA | CAF | CAI | 132.8° | 131.8° |
| CAA | CAF | NAE | 118.5° | 119.9° |
| CAF | CAA | H8 | 119.4° | 120.2° |
| CAP | CAO | CAN | 119.5° | 120.0° |
| CAO | CAP | CAQ | 120.2° | 120.2° |
| CAO | CAP | H14 | 119.9° | 119.9° |
| CAO | CAN | CAM | 122.4° | 119.9° |
| CAO | CAN | H10 | 118.8° | 120.0° |
| CAP | CAQ | OAS | 116.3° | 120.0° |
| CAP | CAQ | CAR | 119.3° | 120.0° |
| CAQ | CAP | H14 | 119.9° | 119.9° |
| CAC | CAD | NAE | 118.1° | 120.7° |
| CAC | CAD | H5 | 120.9° | 119.7° |
| CAD | CAC | H6 | 120.9° | 119.8° |
| CAN | CAM | CAR | 116.1° | 119.8° |
| CAN | CAM | CAI | 121.8° | 120.1° |
| CAM | CAN | H10 | 118.8° | 120.0° |
| OAS | CAQ | CAR | 124.3° | 120.0° |
| CAQ | OAS | CAT | 118.4° | 117.0° |
| CAQ | CAR | CAM | 122.4° | 119.9° |
| CAQ | CAR | H9 | 118.8° | 120.0° |
| CAI | CAF | NAE | 108.6° | 108.2° |
| CAF | CAI | CAM | 127.6° | 126.3° |
| CAF | CAI | CAH | 106.8° | 107.3° |
| CAF | NAE | CAD | 123.0° | 120.2° |
| CAF | NAE | CAG | 108.2° | 108.4° |
| OAS | CAT | H15 | 109.5° | 109.5° |
| OAS | CAT | H16 | 109.5° | 109.5° |
| OAS | CAT | H17 | 109.5° | 109.5° |
| CAR | CAM | CAI | 122.1° | 120.1° |
| CAM | CAR | H9 | 118.8° | 120.1° |
| CAM | CAI | CAH | 125.6° | 126.3° |
| CAD | NAE | CAG | 128.8° | 131.4° |
| NAE | CAD | H5 | 120.9° | 119.6° |
| CAI | CAH | CAG | 109.2° | 107.6° |
| CAI | CAH | H4 | 125.4° | 126.2° |
| NAE | CAG | CAH | 107.2° | 108.4° |
| NAE | CAG | CAJ | 125.6° | 125.8° |
| CAH | CAG | CAJ | 127.2° | 125.8° |
| CAG | CAH | H4 | 125.4° | 126.2° |
| CAG | CAJ | OAK | 123.7° | 120.0° |
| CAG | CAJ | CAL | 118.8° | 120.0° |
| OAK | CAJ | CAL | 117.5° | 120.0° |
| CAJ | CAL | H1 | 109.5° | 109.5° |
| CAJ | CAL | H2 | 109.5° | 109.4° |
| CAJ | CAL | H3 | 109.5° | 109.5° |
| H1 | CAL | H2 | 109.4° | 109.5° |
| H1 | CAL | H3 | 109.5° | 109.5° |
| H2 | CAL | H3 | 109.5° | 109.5° |
| H11 | CAV | H12 | 109.5° | 109.5° |
| H11 | CAV | H13 | 109.5° | 109.4° |
| H12 | CAV | H13 | 109.4° | 109.4° |
| H15 | CAT | H16 | 109.4° | 109.5° |
| H15 | CAT | H17 | 109.5° | 109.5° |
| H16 | CAT | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | OAU | CAO | CAP | 31.4° | 0.0° |
| CAV | OAU | CAO | CAN | 149.3° | 179.7° |
| OAU | CAV | H11 | H12 | 120.0° | 120.1° |
| OAU | CAV | H11 | H13 | 120.0° | 120.0° |
| OAU | CAV | H12 | H13 | 120.0° | 120.1° |
| OAU | CAO | CAP | CAN | 179.3° | 179.7° |
| OAU | CAO | CAP | CAQ | 179.4° | 180.0° |
| OAU | CAO | CAN | CAM | 179.8° | 179.8° |
| OAU | CAO | CAN | H10 | 0.2° | 0.3° |
| CAO | OAU | CAV | H11 | 180.0° | 60.0° |
| CAO | OAU | CAV | H12 | 60.0° | 60.0° |
| CAO | OAU | CAV | H13 | 60.0° | 180.0° |
| OAU | CAO | CAP | H14 | 0.6° | 0.3° |
| CAA | CAB | CAC | H7 | 180.0° | 179.9° |
| CAB | CAA | CAF | H8 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.3° | 0.0° |
| CAB | CAA | CAF | CAI | 179.7° | 179.8° |
| CAB | CAA | CAF | NAE | 0.8° | 0.0° |
| CAA | CAB | CAC | H6 | 179.7° | 180.0° |
| CAC | CAB | CAA | CAF | 0.5° | 0.0° |
| CAB | CAC | CAD | H6 | 180.0° | 180.0° |
| CAB | CAC | CAD | NAE | 0.5° | 0.0° |
| CAB | CAC | CAD | H5 | 179.5° | 180.0° |
| CAC | CAB | CAA | H8 | 179.5° | 180.0° |
| CAA | CAF | CAI | NAE | 179.5° | 179.9° |
| CAA | CAF | CAI | CAM | 0.0° | 0.0° |
| CAA | CAF | NAE | CAD | 1.0° | 0.0° |
| CAA | CAF | CAI | CAH | 179.8° | 179.9° |
| CAA | CAF | NAE | CAG | 179.9° | 180.0° |
| CAF | CAA | CAB | H7 | 179.5° | 180.0° |
| CAO | CAP | CAQ | H14 | 180.0° | 179.7° |
| CAP | CAO | CAN | CAM | 0.5° | 0.1° |
| CAO | CAP | CAQ | OAS | 179.3° | 180.0° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.5° |
| CAP | CAO | CAN | H10 | 179.4° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.1° | 0.3° |
| CAO | CAN | CAM | H10 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAR | 0.7° | 0.1° |
| CAO | CAN | CAM | CAI | 179.2° | 179.7° |
| CAN | CAO | CAP | H14 | 179.9° | 180.0° |
| CAP | CAQ | OAS | CAR | 179.2° | 179.5° |
| CAP | CAQ | OAS | CAT | 173.6° | 0.0° |
| CAP | CAQ | CAR | CAM | 0.0° | 0.5° |
| CAP | CAQ | CAR | H9 | 179.9° | 179.5° |
| CAC | CAD | NAE | CAF | 0.9° | 0.0° |
| CAC | CAD | NAE | H5 | 180.0° | 180.0° |
| CAC | CAD | NAE | CAG | 179.5° | 180.0° |
| CAD | CAC | CAB | H7 | 179.7° | 180.0° |
| CAN | CAM | CAR | CAQ | 0.4° | 0.3° |
| CAN | CAM | CAI | CAF | 137.9° | 50.4° |
| CAN | CAM | CAR | CAI | 179.8° | 179.6° |
| CAN | CAM | CAI | CAH | 41.9° | 129.5° |
| CAN | CAM | CAR | H9 | 179.6° | 179.7° |
| OAS | CAQ | CAR | CAM | 179.1° | 180.0° |
| OAS | CAQ | CAR | H9 | 0.9° | 0.0° |
| OAS | CAQ | CAP | H14 | 0.7° | 0.3° |
| CAQ | OAS | CAT | H15 | 180.0° | 60.0° |
| CAQ | OAS | CAT | H16 | 60.0° | 60.0° |
| CAQ | OAS | CAT | H17 | 60.0° | 180.0° |
| CAR | CAQ | OAS | CAT | 5.6° | 179.5° |
| CAQ | CAR | CAM | H9 | 180.0° | 180.0° |
| CAQ | CAR | CAM | CAI | 179.4° | 179.9° |
| CAR | CAQ | CAP | H14 | 179.9° | 179.8° |
| CAF | CAI | CAM | CAR | 42.3° | 130.0° |
| CAF | CAI | CAM | CAH | 179.8° | 179.9° |
| CAI | CAF | NAE | CAD | 179.4° | 179.8° |
| CAI | CAF | NAE | CAG | 0.5° | 0.2° |
| CAF | CAI | CAH | CAG | 0.0° | 0.2° |
| CAF | CAI | CAH | H4 | 180.0° | 179.8° |
| CAI | CAF | CAA | H8 | 0.2° | 0.2° |
| NAE | CAF | CAI | CAM | 179.5° | 179.9° |
| CAF | NAE | CAD | CAG | 178.6° | 180.0° |
| NAE | CAF | CAI | CAH | 0.3° | 0.0° |
| CAF | NAE | CAG | CAH | 0.5° | 0.3° |
| CAF | NAE | CAG | CAJ | 179.0° | 180.0° |
| CAF | NAE | CAD | H5 | 179.1° | 180.0° |
| NAE | CAF | CAA | H8 | 179.2° | 179.9° |
| OAS | CAT | H15 | H16 | 120.0° | 120.1° |
| OAS | CAT | H15 | H17 | 120.0° | 120.0° |
| OAS | CAT | H16 | H17 | 120.0° | 120.0° |
| CAR | CAM | CAI | CAH | 137.9° | 50.1° |
| CAR | CAM | CAN | H10 | 179.3° | 180.0° |
| CAM | CAI | CAH | CAG | 179.9° | 179.9° |
| CAM | CAI | CAH | H4 | 0.1° | 0.1° |
| CAI | CAM | CAR | H9 | 0.6° | 0.1° |
| CAI | CAM | CAN | H10 | 0.8° | 0.4° |
| CAD | NAE | CAG | CAH | 179.3° | 179.8° |
| CAD | NAE | CAG | CAJ | 0.3° | 0.0° |
| NAE | CAD | CAC | H6 | 179.5° | 180.0° |
| CAI | CAH | CAG | NAE | 0.4° | 0.3° |
| CAI | CAH | CAG | H4 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAJ | 179.2° | 180.0° |
| NAE | CAG | CAH | CAJ | 179.6° | 179.7° |
| NAE | CAG | CAJ | OAK | 5.5° | 0.3° |
| NAE | CAG | CAJ | CAL | 172.7° | 179.7° |
| NAE | CAG | CAH | H4 | 179.7° | 179.7° |
| CAG | NAE | CAD | H5 | 0.5° | 0.0° |
| CAH | CAG | CAJ | OAK | 175.0° | 180.0° |
| CAH | CAG | CAJ | CAL | 6.8° | 0.0° |
| CAG | CAJ | OAK | CAL | 178.2° | 180.0° |
| CAG | CAJ | CAL | H1 | 178.3° | 90.0° |
| CAG | CAJ | CAL | H2 | 58.3° | 30.0° |
| CAG | CAJ | CAL | H3 | 61.7° | 150.0° |
| CAJ | CAG | CAH | H4 | 0.8° | 0.0° |
| OAK | CAJ | CAL | H1 | 0.0° | 90.0° |
| OAK | CAJ | CAL | H2 | 120.0° | 150.0° |
| OAK | CAJ | CAL | H3 | 120.0° | 30.0° |
| CAJ | CAL | H1 | H2 | 120.0° | 120.0° |
| CAJ | CAL | H1 | H3 | 120.0° | 120.0° |
| CAJ | CAL | H2 | H3 | 120.0° | 120.0° |
| H1 | CAL | H2 | H3 | 120.0° | 120.0° |
| H5 | CAD | CAC | H6 | 0.5° | 0.0° |
| H6 | CAC | CAB | H7 | 0.3° | 0.1° |
| H7 | CAB | CAA | H8 | 0.4° | 0.1° |
| H11 | CAV | H12 | H13 | 120.0° | 119.9° |
| H15 | CAT | H16 | H17 | 120.0° | 120.0° |
