29G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAI | sing | 1.38Å | 1.33Å | |
| CAI | NAG | doub | 1.33Å | 1.35Å | Aromatic |
| CAI | NAH | sing | 1.32Å | 1.35Å | Aromatic |
| NAG | CAJ | sing | 1.33Å | 1.34Å | Aromatic |
| NAH | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| CAJ | NAB | sing | 1.38Å | 1.34Å | |
| CAJ | C5 | doub | 1.42Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.42Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.41Å | Aromatic |
| NAB | H1 | sing | 0.97Å | 1.00Å | |
| NAB | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAI | NAG | 119.0° | 118.5° |
| NAA | CAI | NAH | 119.7° | 118.6° |
| CAI | NAA | H5 | 109.5° | 120.0° |
| CAI | NAA | H6 | 109.5° | 119.9° |
| NAG | CAI | NAH | 121.3° | 122.9° |
| CAI | NAG | CAJ | 119.9° | 121.4° |
| CAI | NAH | C4 | 121.0° | 120.4° |
| NAG | CAJ | NAB | 121.8° | 120.9° |
| NAG | CAJ | C5 | 120.6° | 118.1° |
| NAH | C4 | C5 | 118.7° | 118.7° |
| NAH | C4 | N3 | 119.9° | 122.7° |
| NAB | CAJ | C5 | 117.7° | 120.9° |
| CAJ | NAB | H1 | 109.5° | 120.0° |
| CAJ | NAB | H2 | 109.5° | 120.0° |
| CAJ | C5 | C4 | 118.6° | 118.5° |
| CAJ | C5 | C6 | 120.5° | 123.0° |
| C5 | C4 | N3 | 121.4° | 118.6° |
| C4 | C5 | C6 | 120.9° | 118.6° |
| C4 | N3 | C2 | 119.3° | 120.2° |
| C5 | C6 | N1 | 118.3° | 118.3° |
| C5 | C6 | H3 | 120.9° | 120.8° |
| N3 | C2 | N1 | 120.1° | 122.9° |
| N3 | C2 | H4 | 119.9° | 118.6° |
| C6 | N1 | C2 | 120.0° | 121.5° |
| N1 | C6 | H3 | 120.9° | 120.8° |
| N1 | C2 | H4 | 120.0° | 118.5° |
| H1 | NAB | H2 | 109.5° | 120.0° |
| H5 | NAA | H6 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAI | NAG | NAH | 178.7° | 180.0° |
| NAA | CAI | NAG | CAJ | 178.7° | 180.0° |
| NAA | CAI | NAH | C4 | 179.2° | 179.8° |
| CAI | NAA | H5 | H6 | 120.0° | 179.9° |
| NAG | CAI | NAH | C4 | 0.6° | 0.2° |
| CAI | NAG | CAJ | NAB | 179.3° | 180.0° |
| CAI | NAG | CAJ | C5 | 0.2° | 0.2° |
| NAG | CAI | NAA | H5 | 0.0° | 0.1° |
| NAG | CAI | NAA | H6 | 120.0° | 180.0° |
| NAH | CAI | NAG | CAJ | 0.0° | 0.1° |
| CAI | NAH | C4 | C5 | 0.8° | 0.2° |
| CAI | NAH | C4 | N3 | 178.8° | 179.8° |
| NAH | CAI | NAA | H5 | 178.7° | 180.0° |
| NAH | CAI | NAA | H6 | 58.7° | 0.1° |
| NAG | CAJ | NAB | C5 | 179.1° | 179.8° |
| NAG | CAJ | C5 | C4 | 0.0° | 0.2° |
| NAG | CAJ | C5 | C6 | 179.2° | 179.8° |
| NAG | CAJ | NAB | H1 | 0.0° | 179.7° |
| NAG | CAJ | NAB | H2 | 120.0° | 0.0° |
| NAH | C4 | C5 | CAJ | 0.5° | 0.0° |
| NAH | C4 | C5 | N3 | 179.6° | 180.0° |
| NAH | C4 | C5 | C6 | 179.7° | 180.0° |
| NAH | C4 | N3 | C2 | 179.7° | 179.9° |
| NAB | CAJ | C5 | C4 | 179.1° | 180.0° |
| NAB | CAJ | C5 | C6 | 0.1° | 0.0° |
| CAJ | NAB | H1 | H2 | 120.0° | 179.7° |
| CAJ | C5 | C4 | C6 | 179.2° | 180.0° |
| CAJ | C5 | C4 | N3 | 179.1° | 180.0° |
| CAJ | C5 | C6 | N1 | 179.3° | 180.0° |
| C5 | CAJ | NAB | H1 | 179.1° | 0.0° |
| C5 | CAJ | NAB | H2 | 59.1° | 179.7° |
| CAJ | C5 | C6 | H3 | 0.7° | 0.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | N3 | C2 | N1 | 1.2° | 0.0° |
| C4 | N3 | C2 | H4 | 178.8° | 180.0° |
| C5 | C6 | N1 | H3 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.0° |
| N3 | C2 | N1 | H4 | 180.0° | 180.0° |
| C6 | N1 | C2 | H4 | 179.0° | 180.0° |
| C2 | N1 | C6 | H3 | 179.6° | 180.0° |
