T0A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAL | doub | 1.22Å | 1.41Å | |
| NAH | CAL | sing | 1.35Å | 1.37Å | |
| NAH | CAI | sing | 1.36Å | 1.38Å | |
| CAL | CAK | sing | 1.40Å | 1.39Å | |
| NAA | CAI | sing | 1.37Å | 1.48Å | |
| CAI | NAF | doub | 1.32Å | 1.35Å | |
| CAK | CAE | sing | 1.50Å | 1.46Å | |
| CAK | CAJ | doub | 1.38Å | 1.41Å | |
| CAE | CAC | sing | 1.53Å | 1.57Å | |
| NAF | CAJ | sing | 1.34Å | 1.37Å | |
| CAJ | NAG | sing | 1.38Å | 1.44Å | |
| CAC | CAD | sing | 1.54Å | 1.55Å | |
| NAG | CAD | sing | 1.47Å | 1.48Å | |
| NAH | H1 | sing | 0.97Å | 1.00Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| NAA | H9 | sing | 0.97Å | 1.00Å | |
| NAA | H10 | sing | 0.97Å | 1.00Å | |
| NAG | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAL | NAH | 115.4° | 120.6° |
| OAB | CAL | CAK | 119.0° | 120.6° |
| CAL | NAH | CAI | 113.6° | 120.1° |
| NAH | CAL | CAK | 125.6° | 118.8° |
| CAL | NAH | H1 | 123.2° | 119.9° |
| NAH | CAI | NAA | 115.6° | 119.3° |
| NAH | CAI | NAF | 128.0° | 121.3° |
| CAI | NAH | H1 | 123.2° | 119.9° |
| CAL | CAK | CAE | 124.8° | 119.4° |
| CAL | CAK | CAJ | 113.4° | 118.8° |
| NAA | CAI | NAF | 116.4° | 119.3° |
| CAI | NAA | H9 | 120.0° | 120.0° |
| CAI | NAA | H10 | 120.0° | 120.0° |
| CAI | NAF | CAJ | 113.8° | 121.1° |
| CAE | CAK | CAJ | 121.8° | 121.8° |
| CAK | CAE | CAC | 114.9° | 110.4° |
| CAK | CAE | H3 | 108.1° | 109.4° |
| CAK | CAE | H4 | 108.1° | 109.3° |
| CAK | CAJ | NAF | 125.5° | 119.8° |
| CAK | CAJ | NAG | 120.9° | 120.9° |
| CAE | CAC | CAD | 109.2° | 108.7° |
| CAC | CAE | H3 | 108.1° | 109.3° |
| CAC | CAE | H4 | 108.1° | 109.3° |
| CAE | CAC | H5 | 109.6° | 109.6° |
| CAE | CAC | H6 | 109.6° | 109.6° |
| NAF | CAJ | NAG | 113.6° | 119.3° |
| CAJ | NAG | CAD | 119.1° | 119.1° |
| CAJ | NAG | H2 | 107.0° | 120.5° |
| CAC | CAD | NAG | 112.3° | 107.9° |
| CAD | CAC | H5 | 109.5° | 109.6° |
| CAD | CAC | H6 | 109.5° | 109.6° |
| CAC | CAD | H7 | 108.8° | 109.8° |
| CAC | CAD | H8 | 108.7° | 109.8° |
| NAG | CAD | H7 | 108.7° | 109.8° |
| NAG | CAD | H8 | 108.8° | 109.8° |
| CAD | NAG | H2 | 107.0° | 120.4° |
| H3 | CAE | H4 | 109.5° | 109.1° |
| H5 | CAC | H6 | 109.5° | 109.8° |
| H7 | CAD | H8 | 109.5° | 109.8° |
| H9 | NAA | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAL | NAH | CAK | 179.9° | 180.0° |
| OAB | CAL | NAH | CAI | 179.7° | 179.8° |
| OAB | CAL | CAK | CAE | 0.1° | 0.2° |
| OAB | CAL | CAK | CAJ | 179.8° | 180.0° |
| OAB | CAL | NAH | H1 | 0.3° | 0.5° |
| CAL | NAH | CAI | H1 | 180.0° | 179.8° |
| CAL | NAH | CAI | NAA | 179.9° | 179.7° |
| CAL | NAH | CAI | NAF | 0.1° | 0.2° |
| NAH | CAL | CAK | CAE | 180.0° | 179.8° |
| NAH | CAL | CAK | CAJ | 0.3° | 0.0° |
| CAI | NAH | CAL | CAK | 0.4° | 0.3° |
| NAH | CAI | NAA | NAF | 180.0° | 180.0° |
| NAH | CAI | NAF | CAJ | 0.2° | 0.1° |
| NAH | CAI | NAA | H9 | 180.0° | 0.0° |
| NAH | CAI | NAA | H10 | 0.0° | 180.0° |
| CAL | CAK | CAE | CAJ | 179.7° | 179.8° |
| CAL | CAK | CAE | CAC | 161.1° | 160.0° |
| CAL | CAK | CAJ | NAF | 0.2° | 0.3° |
| CAL | CAK | CAJ | NAG | 179.9° | 179.6° |
| CAK | CAL | NAH | H1 | 179.6° | 179.5° |
| CAL | CAK | CAE | H3 | 40.4° | 79.7° |
| CAL | CAK | CAE | H4 | 78.1° | 39.7° |
| NAA | CAI | NAF | CAJ | 179.7° | 179.9° |
| NAA | CAI | NAH | H1 | 0.1° | 0.5° |
| CAI | NAA | H9 | H10 | 180.0° | 180.0° |
| CAI | NAF | CAJ | CAK | 0.4° | 0.3° |
| CAI | NAF | CAJ | NAG | 179.7° | 179.6° |
| NAF | CAI | NAH | H1 | 179.8° | 179.5° |
| NAF | CAI | NAA | H9 | 0.0° | 179.9° |
| NAF | CAI | NAA | H10 | 180.0° | 0.0° |
| CAK | CAE | CAC | H3 | 120.8° | 120.3° |
| CAK | CAE | CAC | H4 | 120.8° | 120.3° |
| CAE | CAK | CAJ | NAF | 179.6° | 179.5° |
| CAE | CAK | CAJ | NAG | 0.3° | 0.6° |
| CAK | CAE | CAC | CAD | 44.3° | 50.5° |
| CAK | CAE | H3 | H4 | 117.5° | 119.6° |
| CAK | CAE | CAC | H5 | 75.6° | 170.2° |
| CAK | CAE | CAC | H6 | 164.3° | 69.2° |
| CAJ | CAK | CAE | CAC | 19.1° | 20.2° |
| CAK | CAJ | NAF | NAG | 179.9° | 179.9° |
| CAK | CAJ | NAG | CAD | 9.6° | 14.0° |
| CAJ | CAK | CAE | H3 | 139.9° | 100.1° |
| CAJ | CAK | CAE | H4 | 101.7° | 140.5° |
| CAK | CAJ | NAG | H2 | 131.0° | 166.0° |
| CAE | CAC | CAD | H5 | 120.0° | 119.8° |
| CAE | CAC | CAD | H6 | 120.0° | 119.7° |
| CAE | CAC | CAD | NAG | 52.5° | 62.7° |
| CAC | CAE | H3 | H4 | 117.6° | 119.5° |
| CAE | CAC | H5 | H6 | 120.2° | 120.4° |
| CAE | CAC | CAD | H7 | 172.9° | 56.9° |
| CAE | CAC | CAD | H8 | 67.9° | 177.6° |
| NAF | CAJ | NAG | CAD | 170.3° | 166.1° |
| NAF | CAJ | NAG | H2 | 48.9° | 13.9° |
| CAJ | NAG | CAD | CAC | 36.9° | 45.1° |
| CAJ | NAG | CAD | H2 | 121.4° | 179.9° |
| CAJ | NAG | CAD | H7 | 157.3° | 74.6° |
| CAJ | NAG | CAD | H8 | 83.5° | 164.7° |
| CAC | CAD | NAG | H7 | 120.4° | 119.6° |
| CAC | CAD | NAG | H8 | 120.4° | 119.6° |
| CAD | CAC | CAE | H3 | 165.1° | 69.8° |
| CAD | CAC | CAE | H4 | 76.5° | 170.8° |
| CAD | CAC | H5 | H6 | 120.1° | 120.4° |
| CAC | CAD | H7 | H8 | 118.7° | 120.7° |
| CAC | CAD | NAG | H2 | 158.3° | 135.0° |
| NAG | CAD | CAC | H5 | 67.5° | 177.5° |
| NAG | CAD | CAC | H6 | 172.5° | 57.0° |
| NAG | CAD | H7 | H8 | 118.7° | 120.8° |
| H3 | CAE | CAC | H5 | 45.2° | 49.9° |
| H3 | CAE | CAC | H6 | 74.9° | 170.4° |
| H4 | CAE | CAC | H5 | 163.6° | 69.5° |
| H4 | CAE | CAC | H6 | 43.5° | 51.1° |
| H5 | CAC | CAD | H7 | 53.0° | 62.9° |
| H5 | CAC | CAD | H8 | 172.1° | 57.8° |
| H6 | CAC | CAD | H7 | 67.1° | 176.6° |
| H6 | CAC | CAD | H8 | 52.0° | 62.7° |
| H7 | CAD | NAG | H2 | 81.3° | 105.4° |
| H8 | CAD | NAG | H2 | 37.9° | 15.4° |
