556
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | sing | 1.54Å | 1.49Å | |
| CAE | CAF | sing | 1.55Å | 1.51Å | |
| CAG | NAM | sing | 1.47Å | 1.47Å | |
| CAF | CAK | sing | 1.52Å | 1.40Å | |
| NAM | CAK | sing | 1.36Å | 1.34Å | Aromatic |
| NAM | CAL | sing | 1.38Å | 1.33Å | Aromatic |
| CAC | CAA | sing | 1.38Å | 1.35Å | Aromatic |
| CAC | CAJ | doub | 1.35Å | 1.33Å | Aromatic |
| CAK | NAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAA | CAB | doub | 1.34Å | 1.34Å | Aromatic |
| CAL | CAJ | sing | 1.47Å | 1.33Å | |
| CAL | CAD | doub | 1.36Å | 1.32Å | Aromatic |
| CAJ | SAI | sing | 1.76Å | 1.66Å | Aromatic |
| NAH | CAD | sing | 1.34Å | 1.33Å | Aromatic |
| CAB | SAI | sing | 1.76Å | 1.65Å | Aromatic |
| CAF | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAC | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAF | 103.5° | 101.9° |
| CAE | CAG | NAM | 104.5° | 105.5° |
| CAG | CAE | H3 | 110.9° | 110.9° |
| CAG | CAE | H4 | 110.9° | 110.9° |
| CAE | CAG | H5 | 110.7° | 110.2° |
| CAE | CAG | H6 | 110.7° | 110.3° |
| CAE | CAF | CAK | 107.3° | 104.3° |
| CAE | CAF | H1 | 110.0° | 110.4° |
| CAE | CAF | H2 | 110.0° | 110.6° |
| CAF | CAE | H3 | 110.9° | 111.0° |
| CAF | CAE | H4 | 110.9° | 111.0° |
| CAG | NAM | CAK | 110.6° | 111.1° |
| CAG | NAM | CAL | 142.4° | 141.9° |
| NAM | CAG | H5 | 110.7° | 110.2° |
| NAM | CAG | H6 | 110.7° | 110.2° |
| CAF | CAK | NAM | 111.0° | 109.8° |
| CAF | CAK | NAH | 141.5° | 141.4° |
| CAK | CAF | H1 | 110.0° | 110.5° |
| CAK | CAF | H2 | 110.0° | 110.5° |
| CAK | NAM | CAL | 107.0° | 107.0° |
| NAM | CAK | NAH | 107.5° | 108.8° |
| NAM | CAL | CAJ | 124.8° | 126.7° |
| NAM | CAL | CAD | 109.9° | 106.5° |
| CAA | CAC | CAJ | 113.2° | 114.6° |
| CAC | CAA | CAB | 115.4° | 115.1° |
| CAC | CAA | H9 | 122.3° | 122.4° |
| CAA | CAC | H10 | 123.4° | 122.7° |
| CAC | CAJ | CAL | 124.7° | 125.3° |
| CAC | CAJ | SAI | 108.7° | 109.4° |
| CAJ | CAC | H10 | 123.4° | 122.7° |
| CAK | NAH | CAD | 109.1° | 109.7° |
| CAA | CAB | SAI | 107.4° | 109.8° |
| CAA | CAB | H8 | 126.3° | 125.0° |
| CAB | CAA | H9 | 122.3° | 122.5° |
| CAJ | CAL | CAD | 125.2° | 126.7° |
| CAL | CAJ | SAI | 126.6° | 125.3° |
| CAL | CAD | NAH | 106.5° | 108.0° |
| CAL | CAD | H7 | 126.8° | 126.0° |
| CAJ | SAI | CAB | 95.3° | 91.0° |
| NAH | CAD | H7 | 126.8° | 126.0° |
| SAI | CAB | H8 | 126.3° | 125.1° |
| H1 | CAF | H2 | 109.5° | 110.5° |
| H3 | CAE | H4 | 109.5° | 110.8° |
| H5 | CAG | H6 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | H3 | 119.0° | 118.2° |
| CAG | CAE | CAF | H4 | 119.0° | 118.1° |
| CAE | CAG | NAM | H5 | 119.2° | 118.9° |
| CAE | CAG | NAM | H6 | 119.2° | 119.1° |
| CAG | CAE | CAF | CAK | 16.8° | 25.3° |
| CAE | CAG | NAM | CAK | 10.7° | 17.1° |
| CAE | CAG | NAM | CAL | 169.5° | 162.9° |
| CAG | CAE | CAF | H1 | 102.9° | 143.9° |
| CAG | CAE | CAF | H2 | 136.5° | 93.5° |
| CAG | CAE | H3 | H4 | 122.8° | 123.7° |
| CAE | CAG | H5 | H6 | 122.3° | 122.0° |
| CAF | CAE | CAG | NAM | 16.1° | 25.8° |
| CAE | CAF | CAK | H1 | 119.7° | 118.6° |
| CAE | CAF | CAK | H2 | 119.7° | 118.8° |
| CAE | CAF | CAK | NAM | 11.0° | 16.7° |
| CAE | CAF | CAK | NAH | 169.4° | 163.4° |
| CAE | CAF | H1 | H2 | 121.0° | 122.6° |
| CAF | CAE | H3 | H4 | 122.8° | 123.8° |
| CAF | CAE | CAG | H5 | 135.3° | 93.1° |
| CAF | CAE | CAG | H6 | 103.1° | 144.9° |
| CAG | NAM | CAK | CAF | 0.2° | 0.2° |
| CAG | NAM | CAK | CAL | 179.9° | 180.0° |
| CAG | NAM | CAK | NAH | 179.9° | 179.8° |
| CAG | NAM | CAL | CAJ | 0.1° | 0.2° |
| CAG | NAM | CAL | CAD | 179.9° | 179.9° |
| NAM | CAG | CAE | H3 | 135.2° | 144.0° |
| NAM | CAG | CAE | H4 | 102.9° | 92.4° |
| NAM | CAG | H5 | H6 | 122.3° | 121.9° |
| CAF | CAK | NAM | NAH | 179.7° | 179.9° |
| CAF | CAK | NAM | CAL | 179.7° | 179.8° |
| CAF | CAK | NAH | CAD | 179.7° | 179.8° |
| CAK | CAF | H1 | H2 | 121.0° | 122.6° |
| CAK | CAF | CAE | H3 | 135.8° | 143.5° |
| CAK | CAF | CAE | H4 | 102.2° | 92.8° |
| CAK | NAM | CAL | CAJ | 179.9° | 179.8° |
| CAK | NAM | CAL | CAD | 0.1° | 0.1° |
| NAM | CAK | NAH | CAD | 0.1° | 0.3° |
| NAM | CAK | CAF | H1 | 108.7° | 135.3° |
| NAM | CAK | CAF | H2 | 130.7° | 102.2° |
| CAK | NAM | CAG | H5 | 129.9° | 101.9° |
| CAK | NAM | CAG | H6 | 108.5° | 136.1° |
| NAM | CAL | CAJ | CAC | 23.0° | 175.3° |
| CAL | NAM | CAK | NAH | 0.0° | 0.2° |
| NAM | CAL | CAJ | CAD | 180.0° | 180.0° |
| NAM | CAL | CAJ | SAI | 156.6° | 5.0° |
| NAM | CAL | CAD | NAH | 0.1° | 0.0° |
| CAL | NAM | CAG | H5 | 50.3° | 78.1° |
| CAL | NAM | CAG | H6 | 71.3° | 43.8° |
| NAM | CAL | CAD | H7 | 179.9° | 179.9° |
| CAA | CAC | CAJ | H10 | 180.0° | 179.6° |
| CAC | CAA | CAB | H9 | 180.0° | 179.9° |
| CAA | CAC | CAJ | CAL | 180.0° | 179.8° |
| CAA | CAC | CAJ | SAI | 0.3° | 0.4° |
| CAC | CAA | CAB | SAI | 0.0° | 0.2° |
| CAC | CAA | CAB | H8 | 180.0° | 179.8° |
| CAJ | CAC | CAA | CAB | 0.2° | 0.4° |
| CAC | CAJ | CAL | SAI | 179.6° | 179.7° |
| CAC | CAJ | CAL | CAD | 157.0° | 4.8° |
| CAC | CAJ | SAI | CAB | 0.3° | 0.2° |
| CAJ | CAC | CAA | H9 | 179.8° | 179.8° |
| CAK | NAH | CAD | CAL | 0.1° | 0.2° |
| NAH | CAK | CAF | H1 | 70.9° | 44.8° |
| NAH | CAK | CAF | H2 | 49.8° | 77.8° |
| CAK | NAH | CAD | H7 | 179.9° | 180.0° |
| CAA | CAB | SAI | CAJ | 0.2° | 0.0° |
| CAA | CAB | SAI | H8 | 180.0° | 179.9° |
| CAB | CAA | CAC | H10 | 179.8° | 180.0° |
| CAJ | CAL | CAD | NAH | 179.9° | 180.0° |
| CAL | CAJ | SAI | CAB | 179.9° | 180.0° |
| CAJ | CAL | CAD | H7 | 0.1° | 0.1° |
| CAL | CAJ | CAC | H10 | 0.0° | 0.2° |
| CAD | CAL | CAJ | SAI | 23.4° | 175.0° |
| CAL | CAD | NAH | H7 | 180.0° | 179.9° |
| CAJ | SAI | CAB | H8 | 179.9° | 180.0° |
| SAI | CAJ | CAC | H10 | 179.7° | 180.0° |
| SAI | CAB | CAA | H9 | 180.0° | 180.0° |
| H1 | CAF | CAE | H3 | 16.2° | 97.9° |
| H1 | CAF | CAE | H4 | 138.1° | 25.8° |
| H2 | CAF | CAE | H3 | 104.5° | 24.7° |
| H2 | CAF | CAE | H4 | 17.4° | 148.4° |
| H3 | CAE | CAG | H5 | 105.6° | 25.1° |
| H3 | CAE | CAG | H6 | 15.9° | 96.9° |
| H4 | CAE | CAG | H5 | 16.3° | 148.7° |
| H4 | CAE | CAG | H6 | 137.9° | 26.7° |
| H8 | CAB | CAA | H9 | 0.0° | 0.1° |
| H9 | CAA | CAC | H10 | 0.2° | 0.1° |
