M1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAI | sing | 1.52Å | 1.55Å | |
| CAE | CAC | sing | 1.53Å | 1.54Å | |
| CAF | CAJ | sing | 1.53Å | 1.53Å | |
| CAF | CAD | sing | 1.53Å | 1.52Å | |
| CAI | CAJ | sing | 1.51Å | 1.37Å | |
| CAI | NAG | doub | 1.29Å | 1.34Å | |
| CAC | CAD | sing | 1.53Å | 1.53Å | |
| CAJ | CAL | sing | 1.50Å | 1.42Å | |
| NAG | CAK | sing | 1.34Å | 1.33Å | |
| CAL | OAB | doub | 1.21Å | 1.40Å | |
| CAL | NAH | sing | 1.34Å | 1.32Å | |
| CAK | NAH | sing | 1.34Å | 1.33Å | |
| CAK | OAA | doub | 1.22Å | 1.42Å | |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| NAH | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAE | CAC | 114.8° | 108.2° |
| CAE | CAI | CAJ | 122.2° | 118.0° |
| CAE | CAI | NAG | 118.3° | 120.0° |
| CAI | CAE | H5 | 108.1° | 109.7° |
| CAI | CAE | H6 | 108.2° | 109.7° |
| CAE | CAC | CAD | 113.6° | 109.6° |
| CAE | CAC | H1 | 108.4° | 109.4° |
| CAE | CAC | H2 | 108.4° | 109.4° |
| CAC | CAE | H5 | 108.1° | 109.7° |
| CAC | CAE | H6 | 108.1° | 109.8° |
| CAJ | CAF | CAD | 108.6° | 109.2° |
| CAF | CAJ | CAI | 120.4° | 108.8° |
| CAF | CAJ | CAL | 120.8° | 110.5° |
| CAJ | CAF | H7 | 109.7° | 109.5° |
| CAJ | CAF | H8 | 109.7° | 109.5° |
| CAF | CAJ | H9 | 90.2° | 109.2° |
| CAF | CAD | CAC | 111.3° | 110.0° |
| CAF | CAD | H3 | 109.0° | 109.4° |
| CAF | CAD | H4 | 109.0° | 109.2° |
| CAD | CAF | H7 | 109.7° | 109.5° |
| CAD | CAF | H8 | 109.7° | 109.6° |
| CAJ | CAI | NAG | 119.5° | 122.0° |
| CAI | CAJ | CAL | 118.7° | 110.8° |
| CAI | CAJ | H9 | 90.3° | 109.2° |
| CAI | NAG | CAK | 119.8° | 122.8° |
| CAD | CAC | H1 | 108.4° | 109.5° |
| CAD | CAC | H2 | 108.4° | 109.5° |
| CAC | CAD | H3 | 109.0° | 109.4° |
| CAC | CAD | H4 | 109.0° | 109.4° |
| CAJ | CAL | OAB | 119.6° | 119.4° |
| CAJ | CAL | NAH | 118.8° | 121.2° |
| CAL | CAJ | H9 | 90.3° | 108.3° |
| NAG | CAK | NAH | 122.5° | 121.8° |
| NAG | CAK | OAA | 119.0° | 119.1° |
| OAB | CAL | NAH | 121.6° | 119.4° |
| CAL | NAH | CAK | 120.6° | 121.0° |
| CAL | NAH | H10 | 119.7° | 119.5° |
| NAH | CAK | OAA | 118.5° | 119.1° |
| CAK | NAH | H10 | 119.7° | 119.5° |
| H1 | CAC | H2 | 109.5° | 109.5° |
| H3 | CAD | H4 | 109.5° | 109.4° |
| H5 | CAE | H6 | 109.5° | 109.7° |
| H7 | CAF | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAE | CAC | H5 | 120.8° | 119.6° |
| CAI | CAE | CAC | H6 | 120.8° | 119.7° |
| CAE | CAI | CAJ | CAF | 1.0° | 52.5° |
| CAE | CAI | CAJ | NAG | 179.4° | 179.8° |
| CAI | CAE | CAC | CAD | 15.5° | 54.7° |
| CAE | CAI | CAJ | CAL | 179.9° | 174.1° |
| CAE | CAI | NAG | CAK | 179.9° | 178.6° |
| CAI | CAE | CAC | H1 | 136.1° | 174.7° |
| CAI | CAE | CAC | H2 | 105.1° | 65.4° |
| CAI | CAE | H5 | H6 | 117.6° | 120.6° |
| CAE | CAI | CAJ | H9 | 89.5° | 66.7° |
| CAE | CAC | CAD | CAF | 52.3° | 63.2° |
| CAC | CAE | CAI | CAJ | 11.4° | 52.1° |
| CAC | CAE | CAI | NAG | 169.2° | 127.7° |
| CAE | CAC | CAD | H1 | 120.6° | 120.1° |
| CAE | CAC | CAD | H2 | 120.6° | 120.0° |
| CAE | CAC | H1 | H2 | 118.1° | 119.9° |
| CAE | CAC | CAD | H3 | 172.6° | 176.7° |
| CAE | CAC | CAD | H4 | 67.9° | 56.9° |
| CAC | CAE | H5 | H6 | 117.6° | 120.7° |
| CAJ | CAF | CAD | H7 | 119.9° | 119.9° |
| CAJ | CAF | CAD | H8 | 119.9° | 119.9° |
| CAF | CAJ | CAI | CAL | 179.1° | 121.6° |
| CAF | CAJ | CAI | H9 | 90.5° | 119.1° |
| CAF | CAJ | CAI | NAG | 179.6° | 127.4° |
| CAJ | CAF | CAD | CAC | 61.2° | 63.0° |
| CAF | CAJ | CAL | H9 | 90.4° | 119.6° |
| CAF | CAJ | CAL | OAB | 0.8° | 53.6° |
| CAF | CAJ | CAL | NAH | 179.4° | 126.4° |
| CAJ | CAF | CAD | H3 | 178.5° | 176.9° |
| CAJ | CAF | CAD | H4 | 59.0° | 57.2° |
| CAJ | CAF | H7 | H8 | 120.4° | 120.1° |
| CAD | CAF | CAJ | CAI | 35.1° | 54.9° |
| CAF | CAD | CAC | H3 | 120.3° | 120.1° |
| CAF | CAD | CAC | H4 | 120.3° | 120.0° |
| CAD | CAF | CAJ | CAL | 144.0° | 176.7° |
| CAF | CAD | CAC | H1 | 172.9° | 176.8° |
| CAF | CAD | CAC | H2 | 68.3° | 56.8° |
| CAF | CAD | H3 | H4 | 119.2° | 119.6° |
| CAD | CAF | H7 | H8 | 120.4° | 120.2° |
| CAD | CAF | CAJ | H9 | 125.6° | 64.2° |
| CAI | CAJ | CAL | H9 | 90.5° | 119.8° |
| CAJ | CAI | NAG | CAK | 0.4° | 1.3° |
| CAI | CAJ | CAL | OAB | 179.9° | 174.2° |
| CAI | CAJ | CAL | NAH | 0.3° | 5.8° |
| CAJ | CAI | CAE | H5 | 132.2° | 67.6° |
| CAJ | CAI | CAE | H6 | 109.3° | 171.8° |
| CAI | CAJ | CAF | H7 | 84.8° | 65.0° |
| CAI | CAJ | CAF | H8 | 154.9° | 174.8° |
| NAG | CAI | CAJ | CAL | 0.5° | 5.8° |
| CAI | NAG | CAK | NAH | 0.2° | 4.0° |
| CAI | NAG | CAK | OAA | 179.8° | 176.1° |
| NAG | CAI | CAE | H5 | 48.4° | 112.6° |
| NAG | CAI | CAE | H6 | 70.1° | 8.0° |
| NAG | CAI | CAJ | H9 | 89.9° | 113.5° |
| CAD | CAC | H1 | H2 | 118.1° | 120.0° |
| CAC | CAD | H3 | H4 | 119.2° | 119.8° |
| CAD | CAC | CAE | H5 | 105.2° | 65.0° |
| CAD | CAC | CAE | H6 | 136.3° | 174.4° |
| CAC | CAD | CAF | H7 | 58.6° | 57.0° |
| CAC | CAD | CAF | H8 | 178.9° | 177.2° |
| CAJ | CAL | OAB | NAH | 179.8° | 180.0° |
| CAJ | CAL | NAH | CAK | 0.1° | 1.5° |
| CAL | CAJ | CAF | H7 | 96.1° | 56.8° |
| CAL | CAJ | CAF | H8 | 24.1° | 63.3° |
| CAJ | CAL | NAH | H10 | 179.9° | 178.4° |
| NAG | CAK | NAH | CAL | 0.0° | 3.8° |
| NAG | CAK | NAH | OAA | 180.0° | 180.0° |
| NAG | CAK | NAH | H10 | 180.0° | 176.3° |
| OAB | CAL | NAH | CAK | 179.8° | 178.5° |
| OAB | CAL | CAJ | H9 | 89.6° | 66.0° |
| OAB | CAL | NAH | H10 | 0.2° | 1.6° |
| CAL | NAH | CAK | H10 | 180.0° | 179.9° |
| CAL | NAH | CAK | OAA | 180.0° | 176.2° |
| NAH | CAL | CAJ | H9 | 90.1° | 114.0° |
| OAA | CAK | NAH | H10 | 0.0° | 3.7° |
| H1 | CAC | CAD | H3 | 66.8° | 56.6° |
| H1 | CAC | CAD | H4 | 52.7° | 63.2° |
| H1 | CAC | CAE | H5 | 15.4° | 55.1° |
| H1 | CAC | CAE | H6 | 103.1° | 65.6° |
| H2 | CAC | CAD | H3 | 52.0° | 63.3° |
| H2 | CAC | CAD | H4 | 171.5° | 176.8° |
| H2 | CAC | CAE | H5 | 134.2° | 175.0° |
| H2 | CAC | CAE | H6 | 15.7° | 54.3° |
| H3 | CAD | CAF | H7 | 61.6° | 63.2° |
| H3 | CAD | CAF | H8 | 58.6° | 57.0° |
| H4 | CAD | CAF | H7 | 178.9° | 177.1° |
| H4 | CAD | CAF | H8 | 60.9° | 62.7° |
| H7 | CAF | CAJ | H9 | 5.7° | 175.9° |
| H8 | CAF | CAJ | H9 | 114.6° | 55.8° |
