A1ADN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | doub | 1.37Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| NAA | CAJ | sing | 1.35Å | 1.34Å | |
| NAA | CAB | doub | 1.31Å | 1.34Å | |
| CAU | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAE | doub | 1.41Å | 1.38Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | doub | 1.40Å | 1.38Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| CAS | CAB | sing | 1.48Å | 1.39Å | |
| CAB | NAC | sing | 1.37Å | 1.35Å | |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.47Å | 1.38Å | |
| NAC | CAD | sing | 1.35Å | 1.34Å | |
| NAC | CAL | sing | 1.40Å | 1.34Å | |
| CAD | OAK | doub | 1.22Å | 1.23Å | |
| CAO | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAR | sing | 1.51Å | 1.39Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAQ | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.08Å | 1.08Å | |
| CAU | H13 | sing | 1.08Å | 1.08Å | |
| CAV | H14 | sing | 1.08Å | 1.08Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAI | CAJ | 119.8° | 119.8° |
| CAI | CAH | CAG | 120.2° | 121.0° |
| CAI | CAH | H3 | 119.9° | 119.5° |
| CAH | CAI | H4 | 120.1° | 120.1° |
| CAI | CAJ | NAA | 120.5° | 121.6° |
| CAI | CAJ | CAE | 120.1° | 119.2° |
| CAJ | CAI | H4 | 120.1° | 120.1° |
| CAH | CAG | CAF | 119.8° | 120.6° |
| CAH | CAG | H2 | 120.1° | 119.7° |
| CAG | CAH | H3 | 119.9° | 119.5° |
| CAJ | NAA | CAB | 121.2° | 121.7° |
| NAA | CAJ | CAE | 119.3° | 119.2° |
| NAA | CAB | CAS | 116.2° | 118.5° |
| NAA | CAB | NAC | 120.5° | 123.0° |
| CAV | CAU | CAT | 120.1° | 120.1° |
| CAU | CAV | CAW | 119.6° | 120.3° |
| CAV | CAU | H13 | 120.0° | 119.9° |
| CAU | CAV | H14 | 120.2° | 119.9° |
| CAU | CAT | CAS | 120.6° | 119.8° |
| CAU | CAT | H12 | 119.7° | 120.1° |
| CAT | CAU | H13 | 120.0° | 119.9° |
| CAJ | CAE | CAF | 120.3° | 120.0° |
| CAJ | CAE | CAD | 118.9° | 118.2° |
| CAV | CAW | CAX | 120.3° | 120.2° |
| CAW | CAV | H14 | 120.2° | 119.9° |
| CAV | CAW | H15 | 119.9° | 119.9° |
| CAT | CAS | CAX | 119.2° | 119.7° |
| CAT | CAS | CAB | 121.2° | 120.1° |
| CAS | CAT | H12 | 119.7° | 120.1° |
| CAG | CAF | CAE | 119.8° | 119.4° |
| CAG | CAF | H1 | 120.1° | 120.3° |
| CAF | CAG | H2 | 120.1° | 119.7° |
| CAW | CAX | CAS | 120.3° | 119.9° |
| CAX | CAW | H15 | 119.8° | 119.9° |
| CAW | CAX | H16 | 119.9° | 120.1° |
| CAX | CAS | CAB | 119.6° | 120.2° |
| CAS | CAX | H16 | 119.9° | 120.0° |
| CAS | CAB | NAC | 123.3° | 118.5° |
| CAB | NAC | CAD | 120.3° | 120.4° |
| CAB | NAC | CAL | 122.7° | 119.8° |
| CAF | CAE | CAD | 120.8° | 121.8° |
| CAE | CAF | H1 | 120.1° | 120.3° |
| CAE | CAD | NAC | 119.8° | 117.4° |
| CAE | CAD | OAK | 120.5° | 121.3° |
| CAD | NAC | CAL | 117.0° | 119.8° |
| NAC | CAD | OAK | 119.7° | 121.3° |
| NAC | CAL | CAO | 118.5° | 120.1° |
| NAC | CAL | CAM | 121.8° | 120.1° |
| CAL | CAO | CAQ | 120.6° | 119.9° |
| CAO | CAL | CAM | 119.7° | 119.9° |
| CAL | CAO | H6 | 119.7° | 120.1° |
| CAO | CAQ | CAN | 119.8° | 120.1° |
| CAQ | CAO | H6 | 119.7° | 120.0° |
| CAO | CAQ | H8 | 120.1° | 120.0° |
| CAL | CAM | CAP | 119.6° | 119.9° |
| CAL | CAM | H5 | 120.2° | 120.0° |
| CAQ | CAN | CAP | 120.0° | 120.1° |
| CAQ | CAN | CAR | 119.3° | 120.0° |
| CAN | CAQ | H8 | 120.1° | 120.0° |
| CAM | CAP | CAN | 120.2° | 120.0° |
| CAP | CAM | H5 | 120.2° | 120.0° |
| CAM | CAP | H7 | 119.9° | 120.0° |
| CAP | CAN | CAR | 120.7° | 119.9° |
| CAN | CAP | H7 | 119.9° | 120.0° |
| CAN | CAR | H9 | 109.5° | 109.5° |
| CAN | CAR | H10 | 109.5° | 109.5° |
| CAN | CAR | H11 | 109.5° | 109.5° |
| H9 | CAR | H10 | 109.4° | 109.4° |
| H9 | CAR | H11 | 109.5° | 109.5° |
| H10 | CAR | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAI | CAJ | H4 | 180.0° | 179.6° |
| CAI | CAH | CAG | H3 | 180.0° | 180.0° |
| CAH | CAI | CAJ | NAA | 179.8° | 179.6° |
| CAH | CAI | CAJ | CAE | 0.1° | 0.9° |
| CAI | CAH | CAG | CAF | 0.1° | 0.0° |
| CAI | CAH | CAG | H2 | 179.9° | 179.9° |
| CAJ | CAI | CAH | CAG | 0.0° | 0.4° |
| CAI | CAJ | NAA | CAE | 179.7° | 178.7° |
| CAI | CAJ | NAA | CAB | 179.9° | 179.3° |
| CAI | CAJ | CAE | CAF | 0.2° | 1.0° |
| CAI | CAJ | CAE | CAD | 179.7° | 179.5° |
| CAJ | CAI | CAH | H3 | 180.0° | 179.6° |
| CAH | CAG | CAF | H2 | 180.0° | 179.9° |
| CAH | CAG | CAF | CAE | 0.1° | 0.1° |
| CAH | CAG | CAF | H1 | 179.9° | 180.0° |
| CAG | CAH | CAI | H4 | 180.0° | 180.0° |
| CAJ | NAA | CAB | CAS | 179.8° | 179.7° |
| CAJ | NAA | CAB | NAC | 0.4° | 0.0° |
| NAA | CAJ | CAE | CAF | 179.9° | 179.7° |
| NAA | CAJ | CAE | CAD | 0.0° | 0.8° |
| NAA | CAJ | CAI | H4 | 0.2° | 0.8° |
| CAB | NAA | CAJ | CAE | 0.2° | 0.5° |
| NAA | CAB | CAS | CAT | 107.6° | 41.8° |
| NAA | CAB | CAS | CAX | 71.4° | 137.9° |
| NAA | CAB | CAS | NAC | 179.5° | 179.7° |
| NAA | CAB | NAC | CAD | 0.4° | 0.3° |
| NAA | CAB | NAC | CAL | 179.3° | 179.8° |
| CAV | CAU | CAT | H13 | 180.0° | 179.9° |
| CAU | CAV | CAW | H14 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAS | 0.1° | 0.1° |
| CAU | CAV | CAW | CAX | 0.4° | 0.0° |
| CAV | CAU | CAT | H12 | 179.9° | 180.0° |
| CAU | CAV | CAW | H15 | 179.6° | 180.0° |
| CAT | CAU | CAV | CAW | 0.3° | 0.0° |
| CAU | CAT | CAS | H12 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAX | 0.4° | 0.0° |
| CAU | CAT | CAS | CAB | 179.3° | 179.7° |
| CAT | CAU | CAV | H14 | 179.7° | 180.0° |
| CAJ | CAE | CAF | CAG | 0.1° | 0.6° |
| CAJ | CAE | CAF | CAD | 179.9° | 179.5° |
| CAJ | CAE | CAD | NAC | 0.0° | 0.5° |
| CAJ | CAE | CAD | OAK | 179.8° | 179.5° |
| CAJ | CAE | CAF | H1 | 179.9° | 179.5° |
| CAE | CAJ | CAI | H4 | 179.9° | 179.5° |
| CAV | CAW | CAX | H15 | 180.0° | 179.9° |
| CAV | CAW | CAX | CAS | 0.1° | 0.0° |
| CAW | CAV | CAU | H13 | 179.7° | 179.9° |
| CAV | CAW | CAX | H16 | 179.9° | 179.7° |
| CAT | CAS | CAX | CAW | 0.3° | 0.0° |
| CAT | CAS | CAX | CAB | 178.9° | 179.7° |
| CAT | CAS | CAB | NAC | 73.0° | 137.9° |
| CAS | CAT | CAU | H13 | 179.9° | 180.0° |
| CAT | CAS | CAX | H16 | 179.7° | 179.7° |
| CAG | CAF | CAE | H1 | 180.0° | 179.9° |
| CAG | CAF | CAE | CAD | 179.8° | 180.0° |
| CAF | CAG | CAH | H3 | 179.9° | 180.0° |
| CAW | CAX | CAS | H16 | 180.0° | 179.7° |
| CAW | CAX | CAS | CAB | 179.2° | 179.7° |
| CAX | CAW | CAV | H14 | 179.6° | 180.0° |
| CAX | CAS | CAB | NAC | 108.1° | 42.4° |
| CAX | CAS | CAT | H12 | 179.6° | 180.0° |
| CAS | CAX | CAW | H15 | 179.9° | 180.0° |
| CAS | CAB | NAC | CAD | 179.8° | 180.0° |
| CAS | CAB | NAC | CAL | 1.2° | 0.1° |
| CAB | CAS | CAT | H12 | 0.7° | 0.3° |
| CAB | CAS | CAX | H16 | 0.8° | 0.0° |
| CAB | NAC | CAD | CAE | 0.2° | 0.0° |
| CAB | NAC | CAD | CAL | 179.0° | 180.0° |
| CAB | NAC | CAD | OAK | 179.7° | 180.0° |
| CAB | NAC | CAL | CAO | 79.9° | 67.9° |
| CAB | NAC | CAL | CAM | 101.9° | 112.5° |
| CAF | CAE | CAD | NAC | 179.8° | 180.0° |
| CAF | CAE | CAD | OAK | 0.3° | 0.1° |
| CAE | CAF | CAG | H2 | 179.9° | 180.0° |
| CAE | CAD | NAC | OAK | 179.9° | 180.0° |
| CAE | CAD | NAC | CAL | 179.2° | 180.0° |
| CAD | CAE | CAF | H1 | 0.2° | 0.0° |
| CAD | NAC | CAL | CAO | 99.0° | 112.2° |
| CAD | NAC | CAL | CAM | 79.2° | 67.5° |
| CAL | NAC | CAD | OAK | 0.7° | 0.0° |
| NAC | CAL | CAO | CAM | 178.2° | 179.7° |
| NAC | CAL | CAO | CAQ | 179.6° | 179.7° |
| NAC | CAL | CAM | CAP | 179.4° | 179.7° |
| NAC | CAL | CAM | H5 | 0.6° | 0.4° |
| NAC | CAL | CAO | H6 | 0.4° | 0.3° |
| CAL | CAO | CAQ | H6 | 180.0° | 180.0° |
| CAL | CAO | CAQ | CAN | 0.8° | 0.0° |
| CAO | CAL | CAM | CAP | 1.2° | 0.1° |
| CAO | CAL | CAM | H5 | 178.8° | 179.9° |
| CAL | CAO | CAQ | H8 | 179.2° | 180.0° |
| CAQ | CAO | CAL | CAM | 1.3° | 0.0° |
| CAO | CAQ | CAN | H8 | 180.0° | 180.0° |
| CAO | CAQ | CAN | CAP | 0.1° | 0.0° |
| CAO | CAQ | CAN | CAR | 179.8° | 180.0° |
| CAL | CAM | CAP | H5 | 180.0° | 179.9° |
| CAL | CAM | CAP | CAN | 0.6° | 0.1° |
| CAM | CAL | CAO | H6 | 178.7° | 179.9° |
| CAL | CAM | CAP | H7 | 179.4° | 180.0° |
| CAQ | CAN | CAP | CAM | 0.0° | 0.0° |
| CAQ | CAN | CAP | CAR | 179.9° | 179.9° |
| CAN | CAQ | CAO | H6 | 179.2° | 179.9° |
| CAQ | CAN | CAP | H7 | 180.0° | 180.0° |
| CAQ | CAN | CAR | H9 | 90.1° | 90.0° |
| CAQ | CAN | CAR | H10 | 150.0° | 30.0° |
| CAQ | CAN | CAR | H11 | 30.0° | 149.9° |
| CAM | CAP | CAN | H7 | 180.0° | 180.0° |
| CAM | CAP | CAN | CAR | 179.9° | 180.0° |
| CAN | CAP | CAM | H5 | 179.4° | 179.9° |
| CAP | CAN | CAQ | H8 | 179.9° | 180.0° |
| CAP | CAN | CAR | H9 | 90.0° | 90.0° |
| CAP | CAN | CAR | H10 | 30.0° | 150.0° |
| CAP | CAN | CAR | H11 | 149.9° | 30.0° |
| CAR | CAN | CAP | H7 | 0.1° | 0.1° |
| CAR | CAN | CAQ | H8 | 0.2° | 0.1° |
| CAN | CAR | H9 | H10 | 120.0° | 120.0° |
| CAN | CAR | H9 | H11 | 120.0° | 120.1° |
| CAN | CAR | H10 | H11 | 120.0° | 120.0° |
| H1 | CAF | CAG | H2 | 0.1° | 0.1° |
| H2 | CAG | CAH | H3 | 0.1° | 0.0° |
| H3 | CAH | CAI | H4 | 0.0° | 0.0° |
| H5 | CAM | CAP | H7 | 0.6° | 0.1° |
| H6 | CAO | CAQ | H8 | 0.8° | 0.0° |
| H9 | CAR | H10 | H11 | 120.0° | 120.0° |
| H12 | CAT | CAU | H13 | 0.1° | 0.1° |
| H13 | CAU | CAV | H14 | 0.3° | 0.1° |
| H14 | CAV | CAW | H15 | 0.4° | 0.0° |
| H15 | CAW | CAX | H16 | 0.1° | 0.2° |
