A1L36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAK | CAJ | trip | 1.14Å | 1.15Å | |
| CAJ | CAD | sing | 1.43Å | 1.45Å | |
| CAD | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAB | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | BRAH | sing | 1.89Å | 1.86Å | |
| CAA | CAC | sing | 1.39Å | 1.38Å | Aromatic |
| CAA | BRAI | sing | 1.89Å | 1.91Å | |
| CAC | OAG | sing | 1.36Å | 1.36Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| OAG | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAK | CAJ | CAD | 179.9° | 180.0° |
| CAJ | CAD | CAF | 120.4° | 120.1° |
| CAJ | CAD | CAB | 119.4° | 120.1° |
| CAF | CAD | CAB | 120.3° | 119.8° |
| CAD | CAF | CAE | 119.1° | 119.9° |
| CAD | CAF | H2 | 120.5° | 120.0° |
| CAD | CAB | CAA | 121.1° | 119.9° |
| CAD | CAB | H1 | 119.4° | 120.0° |
| CAF | CAE | CAC | 119.4° | 120.1° |
| CAF | CAE | BRAH | 120.6° | 120.0° |
| CAE | CAF | H2 | 120.5° | 120.0° |
| CAB | CAA | CAC | 117.5° | 120.1° |
| CAB | CAA | BRAI | 122.4° | 120.0° |
| CAA | CAB | H1 | 119.4° | 120.0° |
| CAC | CAE | BRAH | 120.0° | 120.0° |
| CAE | CAC | CAA | 122.6° | 120.2° |
| CAE | CAC | OAG | 119.1° | 119.9° |
| CAC | CAA | BRAI | 120.1° | 120.0° |
| CAA | CAC | OAG | 118.3° | 119.9° |
| CAC | OAG | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAK | CAJ | CAD | CAF | 141.8° | 89.7° |
| NAK | CAJ | CAD | CAB | 38.0° | 90.0° |
| CAJ | CAD | CAF | CAB | 179.8° | 179.7° |
| CAJ | CAD | CAF | CAE | 179.9° | 180.0° |
| CAJ | CAD | CAB | CAA | 180.0° | 179.8° |
| CAJ | CAD | CAB | H1 | 0.0° | 0.3° |
| CAJ | CAD | CAF | H2 | 0.1° | 0.3° |
| CAD | CAF | CAE | H2 | 180.0° | 179.7° |
| CAF | CAD | CAB | CAA | 0.2° | 0.0° |
| CAD | CAF | CAE | CAC | 0.3° | 0.5° |
| CAD | CAF | CAE | BRAH | 179.9° | 180.0° |
| CAF | CAD | CAB | H1 | 179.8° | 180.0° |
| CAB | CAD | CAF | CAE | 0.3° | 0.3° |
| CAD | CAB | CAA | H1 | 180.0° | 179.9° |
| CAD | CAB | CAA | CAC | 0.1° | 0.0° |
| CAD | CAB | CAA | BRAI | 179.7° | 179.7° |
| CAB | CAD | CAF | H2 | 179.7° | 180.0° |
| CAF | CAE | CAC | BRAH | 179.8° | 179.4° |
| CAF | CAE | CAC | CAA | 0.2° | 0.5° |
| CAF | CAE | CAC | OAG | 179.8° | 179.4° |
| CAB | CAA | CAC | CAE | 0.1° | 0.3° |
| CAB | CAA | CAC | BRAI | 179.8° | 179.7° |
| CAB | CAA | CAC | OAG | 179.9° | 179.7° |
| CAE | CAC | CAA | OAG | 179.9° | 179.9° |
| CAE | CAC | CAA | BRAI | 179.7° | 180.0° |
| CAC | CAE | CAF | H2 | 179.7° | 179.8° |
| CAE | CAC | OAG | H3 | 180.0° | 90.0° |
| BRAH | CAE | CAC | CAA | 180.0° | 180.0° |
| BRAH | CAE | CAC | OAG | 0.0° | 0.0° |
| BRAH | CAE | CAF | H2 | 0.1° | 0.3° |
| CAC | CAA | CAB | H1 | 179.9° | 180.0° |
| CAA | CAC | OAG | H3 | 0.0° | 90.0° |
| BRAI | CAA | CAC | OAG | 0.3° | 0.0° |
| BRAI | CAA | CAB | H1 | 0.3° | 0.3° |
