M1Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAB | CAL | doub | 1.22Å | 1.40Å | |
CAL | NAI | sing | 1.33Å | 1.24Å | |
CAL | NAH | sing | 1.33Å | 1.42Å | |
NAI | CAK | sing | 1.35Å | 1.27Å | |
NAH | CAJ | doub | 1.31Å | 1.22Å | |
CAK | OAA | doub | 1.21Å | 1.43Å | |
CAK | CAC | sing | 1.52Å | 1.42Å | |
CAJ | CAC | sing | 1.52Å | 1.37Å | |
CAJ | NAM | sing | 1.35Å | 1.45Å | |
CAG | NAM | sing | 1.47Å | 1.52Å | |
CAG | CAE | sing | 1.54Å | 1.40Å | |
NAM | CAF | sing | 1.47Å | 1.60Å | |
CAE | CAD | sing | 1.55Å | 1.60Å | |
CAF | CAD | sing | 1.55Å | 1.35Å | |
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 | |
CAG | H9 | sing | 1.09Å | 1.10Å | |
CAG | H10 | sing | 1.09Å | 1.10Å | |
NAI | H11 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAB | CAL | NAI | 119.2° | 117.6° |
OAB | CAL | NAH | 120.4° | 117.6° |
NAI | CAL | NAH | 120.4° | 124.8° |
CAL | NAI | CAK | 121.1° | 121.5° |
CAL | NAI | H11 | 119.4° | 119.3° |
CAL | NAH | CAJ | 121.6° | 122.6° |
NAI | CAK | OAA | 119.1° | 121.4° |
NAI | CAK | CAC | 120.7° | 117.1° |
CAK | NAI | H11 | 119.4° | 119.2° |
NAH | CAJ | CAC | 119.6° | 117.9° |
NAH | CAJ | NAM | 118.7° | 121.0° |
OAA | CAK | CAC | 120.3° | 121.5° |
CAK | CAC | CAJ | 116.6° | 116.0° |
CAK | CAC | H1 | 107.7° | 108.1° |
CAK | CAC | H2 | 107.7° | 108.2° |
CAC | CAJ | NAM | 121.7° | 121.1° |
CAJ | CAC | H1 | 107.7° | 108.1° |
CAJ | CAC | H2 | 107.7° | 108.1° |
CAJ | NAM | CAG | 124.3° | 125.7° |
CAJ | NAM | CAF | 129.0° | 125.6° |
NAM | CAG | CAE | 102.4° | 107.3° |
CAG | NAM | CAF | 105.6° | 108.7° |
NAM | CAG | H9 | 111.2° | 109.9° |
NAM | CAG | H10 | 111.2° | 109.9° |
CAG | CAE | CAD | 104.8° | 102.9° |
CAG | CAE | H5 | 110.6° | 110.7° |
CAG | CAE | H6 | 110.6° | 110.9° |
CAE | CAG | H9 | 111.2° | 109.9° |
CAE | CAG | H10 | 111.2° | 109.9° |
NAM | CAF | CAD | 105.6° | 104.8° |
NAM | CAF | H7 | 110.4° | 110.4° |
NAM | CAF | H8 | 110.4° | 110.5° |
CAE | CAD | CAF | 104.7° | 101.6° |
CAE | CAD | H3 | 110.7° | 111.0° |
CAE | CAD | H4 | 110.6° | 111.0° |
CAD | CAE | H5 | 110.6° | 110.7° |
CAD | CAE | H6 | 110.6° | 110.7° |
CAF | CAD | H3 | 110.7° | 111.0° |
CAF | CAD | H4 | 110.7° | 111.0° |
CAD | CAF | H7 | 110.4° | 110.4° |
CAD | CAF | H8 | 110.4° | 110.4° |
H1 | CAC | H2 | 109.4° | 108.1° |
H3 | CAD | H4 | 109.5° | 110.9° |
H5 | CAE | H6 | 109.5° | 110.7° |
H7 | CAF | H8 | 109.5° | 110.3° |
H9 | CAG | H10 | 109.5° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAB | CAL | NAI | NAH | 179.3° | 179.9° |
OAB | CAL | NAI | CAK | 179.8° | 180.0° |
OAB | CAL | NAH | CAJ | 179.8° | 180.0° |
OAB | CAL | NAI | H11 | 0.2° | 0.1° |
CAL | NAI | CAK | H11 | 180.0° | 179.9° |
NAI | CAL | NAH | CAJ | 0.5° | 0.1° |
CAL | NAI | CAK | OAA | 179.4° | 180.0° |
CAL | NAI | CAK | CAC | 0.6° | 0.0° |
NAH | CAL | NAI | CAK | 0.5° | 0.1° |
CAL | NAH | CAJ | CAC | 0.6° | 0.0° |
CAL | NAH | CAJ | NAM | 179.9° | 180.0° |
NAH | CAL | NAI | H11 | 179.5° | 179.9° |
NAI | CAK | OAA | CAC | 180.0° | 180.0° |
NAI | CAK | CAC | CAJ | 0.7° | 0.1° |
NAI | CAK | CAC | H1 | 120.4° | 121.7° |
NAI | CAK | CAC | H2 | 121.7° | 121.5° |
NAH | CAJ | CAC | CAK | 0.6° | 0.1° |
NAH | CAJ | CAC | NAM | 179.3° | 180.0° |
NAH | CAJ | NAM | CAG | 8.9° | 0.0° |
NAH | CAJ | NAM | CAF | 175.0° | 180.0° |
NAH | CAJ | CAC | H1 | 120.4° | 121.7° |
NAH | CAJ | CAC | H2 | 121.7° | 121.5° |
OAA | CAK | CAC | CAJ | 179.4° | 179.9° |
OAA | CAK | CAC | H1 | 59.6° | 58.3° |
OAA | CAK | CAC | H2 | 58.3° | 58.5° |
OAA | CAK | NAI | H11 | 0.6° | 0.1° |
CAK | CAC | CAJ | H1 | 121.0° | 121.6° |
CAK | CAC | CAJ | H2 | 121.0° | 121.6° |
CAK | CAC | CAJ | NAM | 179.9° | 179.9° |
CAK | CAC | H1 | H2 | 116.7° | 116.9° |
CAC | CAK | NAI | H11 | 179.4° | 179.9° |
CAC | CAJ | NAM | CAG | 170.4° | 180.0° |
CAC | CAJ | NAM | CAF | 4.3° | 0.0° |
CAJ | CAC | H1 | H2 | 116.8° | 116.8° |
CAJ | NAM | CAG | CAF | 168.7° | 180.0° |
CAJ | NAM | CAG | CAE | 143.5° | 179.0° |
CAJ | NAM | CAF | CAD | 168.5° | 155.9° |
NAM | CAJ | CAC | H1 | 58.9° | 58.3° |
NAM | CAJ | CAC | H2 | 59.0° | 58.5° |
CAJ | NAM | CAF | H7 | 49.1° | 85.2° |
CAJ | NAM | CAF | H8 | 72.1° | 37.0° |
CAJ | NAM | CAG | H9 | 97.6° | 59.6° |
CAJ | NAM | CAG | H10 | 24.7° | 61.6° |
NAM | CAG | CAE | H9 | 118.9° | 119.4° |
NAM | CAG | CAE | H10 | 118.8° | 119.4° |
NAM | CAG | CAE | CAD | 38.7° | 22.2° |
CAG | NAM | CAF | CAD | 0.5° | 24.1° |
NAM | CAG | CAE | H5 | 157.9° | 140.5° |
NAM | CAG | CAE | H6 | 80.6° | 96.3° |
CAG | NAM | CAF | H7 | 118.9° | 94.7° |
CAG | NAM | CAF | H8 | 119.9° | 143.0° |
NAM | CAG | H9 | H10 | 123.3° | 121.1° |
CAE | CAG | NAM | CAF | 25.2° | 1.1° |
CAG | CAE | CAD | H5 | 119.3° | 118.4° |
CAG | CAE | CAD | H6 | 119.3° | 118.5° |
CAG | CAE | CAD | CAF | 41.2° | 35.4° |
CAG | CAE | CAD | H3 | 78.0° | 153.5° |
CAG | CAE | CAD | H4 | 160.5° | 82.6° |
CAG | CAE | H5 | H6 | 122.2° | 123.3° |
CAE | CAG | H9 | H10 | 123.3° | 121.1° |
NAM | CAF | CAD | CAE | 22.8° | 37.0° |
NAM | CAF | CAD | H7 | 119.4° | 118.8° |
NAM | CAF | CAD | H8 | 119.4° | 119.0° |
NAM | CAF | CAD | H3 | 96.4° | 155.1° |
NAM | CAF | CAD | H4 | 142.0° | 81.1° |
NAM | CAF | H7 | H8 | 121.8° | 122.4° |
CAF | NAM | CAG | H9 | 93.7° | 120.5° |
CAF | NAM | CAG | H10 | 144.1° | 118.4° |
CAE | CAD | CAF | H3 | 119.2° | 118.1° |
CAE | CAD | CAF | H4 | 119.2° | 118.1° |
CAE | CAD | H3 | H4 | 122.2° | 123.9° |
CAD | CAE | H5 | H6 | 122.1° | 123.1° |
CAE | CAD | CAF | H7 | 96.6° | 81.9° |
CAE | CAD | CAF | H8 | 142.2° | 155.9° |
CAD | CAE | CAG | H9 | 80.2° | 97.3° |
CAD | CAE | CAG | H10 | 157.5° | 141.6° |
CAF | CAD | H3 | H4 | 122.2° | 123.9° |
CAF | CAD | CAE | H5 | 160.5° | 153.8° |
CAF | CAD | CAE | H6 | 78.0° | 83.1° |
CAD | CAF | H7 | H8 | 121.8° | 122.2° |
H3 | CAD | CAE | H5 | 41.3° | 88.1° |
H3 | CAD | CAE | H6 | 162.7° | 35.0° |
H3 | CAD | CAF | H7 | 144.2° | 36.2° |
H3 | CAD | CAF | H8 | 23.0° | 86.0° |
H4 | CAD | CAE | H5 | 80.2° | 35.8° |
H4 | CAD | CAE | H6 | 41.2° | 158.9° |
H4 | CAD | CAF | H7 | 22.7° | 160.0° |
H4 | CAD | CAF | H8 | 98.6° | 37.8° |
H5 | CAE | CAG | H9 | 39.1° | 21.1° |
H5 | CAE | CAG | H10 | 83.2° | 100.0° |
H6 | CAE | CAG | H9 | 160.5° | 144.3° |
H6 | CAE | CAG | H10 | 38.3° | 23.2° |