2IT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAI | doub | 1.28Å | 1.36Å | |
| CAI | CAG | sing | 1.51Å | 1.51Å | |
| CAI | CAJ | sing | 1.48Å | 1.46Å | |
| CAF | CAG | sing | 1.53Å | 1.52Å | |
| CAF | CAH | sing | 1.51Å | 1.51Å | |
| OAE | CAJ | doub | 1.21Å | 1.25Å | |
| CAJ | OAC | sing | 1.35Å | 1.27Å | |
| CAH | OAD | doub | 1.21Å | 1.23Å | |
| CAH | OAB | sing | 1.34Å | 1.24Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| OAB | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAI | CAG | 122.1° | 120.0° |
| NAA | CAI | CAJ | 120.2° | 120.0° |
| CAI | NAA | H3 | 112.0° | 120.0° |
| CAG | CAI | CAJ | 117.7° | 120.0° |
| CAI | CAG | CAF | 110.4° | 109.5° |
| CAI | CAG | H6 | 109.2° | 109.5° |
| CAI | CAG | H7 | 109.2° | 109.5° |
| CAI | CAJ | OAE | 116.2° | 120.1° |
| CAI | CAJ | OAC | 119.3° | 120.0° |
| CAG | CAF | CAH | 108.4° | 109.5° |
| CAF | CAG | H6 | 109.2° | 109.4° |
| CAF | CAG | H7 | 109.3° | 109.4° |
| CAG | CAF | H8 | 109.7° | 109.5° |
| CAG | CAF | H9 | 109.7° | 109.5° |
| CAF | CAH | OAD | 117.7° | 120.0° |
| CAF | CAH | OAB | 119.5° | 120.0° |
| CAH | CAF | H8 | 109.7° | 109.5° |
| CAH | CAF | H9 | 109.8° | 109.5° |
| OAE | CAJ | OAC | 124.5° | 119.9° |
| CAJ | OAC | H1 | 109.5° | 117.0° |
| OAD | CAH | OAB | 122.7° | 120.0° |
| CAH | OAB | H10 | 109.5° | 117.0° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H8 | CAF | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAI | CAG | CAJ | 179.6° | 180.0° |
| NAA | CAI | CAG | CAF | 54.6° | 0.0° |
| NAA | CAI | CAJ | OAE | 6.0° | 180.0° |
| NAA | CAI | CAJ | OAC | 174.0° | 0.0° |
| NAA | CAI | CAG | H6 | 174.7° | 120.0° |
| NAA | CAI | CAG | H7 | 65.6° | 120.0° |
| CAI | CAG | CAF | H6 | 120.1° | 120.0° |
| CAI | CAG | CAF | H7 | 120.2° | 120.0° |
| CAI | CAG | CAF | CAH | 166.5° | 180.0° |
| CAG | CAI | CAJ | OAE | 174.4° | 0.0° |
| CAG | CAI | CAJ | OAC | 5.6° | 180.0° |
| CAG | CAI | NAA | H3 | 179.6° | 180.0° |
| CAI | CAG | H6 | H7 | 119.6° | 120.1° |
| CAI | CAG | CAF | H8 | 73.7° | 60.0° |
| CAI | CAG | CAF | H9 | 46.6° | 60.0° |
| CAJ | CAI | CAG | CAF | 125.9° | 180.0° |
| CAI | CAJ | OAE | OAC | 180.0° | 180.0° |
| CAI | CAJ | OAC | H1 | 180.0° | 180.0° |
| CAJ | CAI | NAA | H3 | 0.0° | 0.0° |
| CAJ | CAI | CAG | H6 | 5.7° | 60.0° |
| CAJ | CAI | CAG | H7 | 114.0° | 60.0° |
| CAG | CAF | CAH | H8 | 119.8° | 120.0° |
| CAG | CAF | CAH | H9 | 119.8° | 120.0° |
| CAG | CAF | CAH | OAD | 131.5° | 0.0° |
| CAG | CAF | CAH | OAB | 52.5° | 180.0° |
| CAF | CAG | H6 | H7 | 119.6° | 120.0° |
| CAG | CAF | H8 | H9 | 120.5° | 120.0° |
| CAF | CAH | OAD | OAB | 175.8° | 180.0° |
| CAH | CAF | CAG | H6 | 46.4° | 60.0° |
| CAH | CAF | CAG | H7 | 73.4° | 60.0° |
| CAH | CAF | H8 | H9 | 120.5° | 120.0° |
| CAF | CAH | OAB | H10 | 175.7° | 180.0° |
| OAE | CAJ | OAC | H1 | 0.0° | 0.0° |
| OAD | CAH | CAF | H8 | 108.6° | 120.0° |
| OAD | CAH | CAF | H9 | 11.7° | 120.0° |
| OAD | CAH | OAB | H10 | 0.0° | 0.0° |
| OAB | CAH | CAF | H8 | 67.3° | 60.0° |
| OAB | CAH | CAF | H9 | 172.4° | 60.0° |
| H6 | CAG | CAF | H8 | 166.2° | 180.0° |
| H6 | CAG | CAF | H9 | 73.5° | 60.0° |
| H7 | CAG | CAF | H8 | 46.4° | 60.0° |
| H7 | CAG | CAF | H9 | 166.8° | 180.0° |
