C6M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAN | PAL | doub | 1.48Å | 1.56Å | |
CAD | CAE | doub | 1.39Å | 1.37Å | Aromatic |
CAD | CAC | sing | 1.39Å | 1.36Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.38Å | Aromatic |
PAL | OAM | sing | 1.61Å | 1.50Å | |
PAL | OAO | sing | 1.61Å | 1.56Å | |
PAL | CAK | sing | 1.82Å | 1.84Å | |
OAS | PAP | doub | 1.48Å | 1.56Å | |
CAC | CAB | doub | 1.38Å | 1.37Å | Aromatic |
CAF | CAJ | sing | 1.51Å | 1.42Å | |
CAF | NAA | doub | 1.32Å | 1.36Å | Aromatic |
CAJ | CAK | sing | 1.53Å | 1.59Å | |
CAK | PAP | sing | 1.82Å | 1.81Å | |
CAB | NAA | sing | 1.32Å | 1.37Å | Aromatic |
PAP | OAR | sing | 1.61Å | 1.58Å | |
PAP | OAQ | sing | 1.61Å | 1.54Å | |
NAA | CAG | sing | 1.46Å | 1.44Å | |
CAG | CAH | sing | 1.53Å | 1.49Å | |
CAH | CAI | sing | 1.53Å | 1.58Å | |
OAO | H1 | sing | 0.97Å | 0.95Å | |
OAM | H2 | sing | 0.97Å | 0.95Å | |
CAK | H3 | sing | 1.09Å | 1.10Å | |
OAR | H4 | sing | 0.97Å | 0.95Å | |
OAQ | H5 | sing | 0.97Å | 0.95Å | |
CAJ | H6 | sing | 1.09Å | 1.10Å | |
CAJ | H7 | sing | 1.09Å | 1.10Å | |
CAE | H8 | sing | 1.08Å | 1.08Å | |
CAD | H9 | sing | 1.08Å | 1.08Å | |
CAC | H10 | sing | 1.08Å | 1.08Å | |
CAB | H11 | sing | 1.08Å | 1.08Å | |
CAG | H12 | sing | 1.09Å | 1.10Å | |
CAG | H13 | sing | 1.09Å | 1.10Å | |
CAH | H14 | sing | 1.09Å | 1.10Å | |
CAH | H15 | sing | 1.09Å | 1.10Å | |
CAI | H16 | sing | 1.09Å | 1.10Å | |
CAI | H17 | sing | 1.09Å | 1.10Å | |
CAI | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAN | PAL | OAM | 121.4° | 109.5° |
OAN | PAL | OAO | 104.4° | 109.5° |
OAN | PAL | CAK | 108.2° | 109.5° |
CAE | CAD | CAC | 120.1° | 118.4° |
CAD | CAE | CAF | 123.3° | 119.2° |
CAD | CAE | H8 | 118.4° | 120.5° |
CAE | CAD | H9 | 119.9° | 120.8° |
CAD | CAC | CAB | 118.0° | 119.2° |
CAC | CAD | H9 | 119.9° | 120.8° |
CAD | CAC | H10 | 121.0° | 120.4° |
CAE | CAF | CAJ | 118.3° | 119.6° |
CAE | CAF | NAA | 114.9° | 120.8° |
CAF | CAE | H8 | 118.3° | 120.4° |
OAM | PAL | OAO | 111.5° | 109.4° |
OAM | PAL | CAK | 107.9° | 109.5° |
PAL | OAM | H2 | 109.5° | 114.0° |
OAO | PAL | CAK | 101.5° | 109.5° |
PAL | OAO | H1 | 109.5° | 114.0° |
PAL | CAK | CAJ | 116.4° | 109.5° |
PAL | CAK | PAP | 110.6° | 109.5° |
PAL | CAK | H3 | 106.8° | 109.5° |
OAS | PAP | CAK | 117.0° | 109.4° |
OAS | PAP | OAR | 102.9° | 109.5° |
OAS | PAP | OAQ | 108.1° | 109.5° |
CAC | CAB | NAA | 120.6° | 120.8° |
CAB | CAC | H10 | 121.0° | 120.5° |
CAC | CAB | H11 | 119.7° | 119.6° |
CAJ | CAF | NAA | 126.8° | 119.6° |
CAF | CAJ | CAK | 116.6° | 109.5° |
CAF | CAJ | H6 | 107.7° | 109.5° |
CAF | CAJ | H7 | 107.6° | 109.5° |
CAF | NAA | CAB | 123.0° | 121.7° |
CAF | NAA | CAG | 120.9° | 119.2° |
CAJ | CAK | PAP | 106.1° | 109.5° |
CAJ | CAK | H3 | 109.5° | 109.4° |
CAK | CAJ | H6 | 107.7° | 109.5° |
CAK | CAJ | H7 | 107.7° | 109.4° |
CAK | PAP | OAR | 111.4° | 109.4° |
CAK | PAP | OAQ | 104.6° | 109.5° |
PAP | CAK | H3 | 107.1° | 109.5° |
CAB | NAA | CAG | 116.0° | 119.1° |
NAA | CAB | H11 | 119.7° | 119.6° |
OAR | PAP | OAQ | 113.1° | 109.5° |
PAP | OAR | H4 | 109.5° | 114.0° |
PAP | OAQ | H5 | 109.5° | 114.0° |
NAA | CAG | CAH | 112.1° | 109.4° |
NAA | CAG | H12 | 108.8° | 109.4° |
NAA | CAG | H13 | 108.8° | 109.5° |
CAG | CAH | CAI | 105.7° | 109.4° |
CAH | CAG | H12 | 108.8° | 109.5° |
CAH | CAG | H13 | 108.8° | 109.5° |
CAG | CAH | H14 | 110.4° | 109.4° |
CAG | CAH | H15 | 110.4° | 109.5° |
CAI | CAH | H14 | 110.4° | 109.5° |
CAI | CAH | H15 | 110.4° | 109.5° |
CAH | CAI | H16 | 109.5° | 109.5° |
CAH | CAI | H17 | 109.5° | 109.5° |
CAH | CAI | H18 | 109.5° | 109.4° |
H6 | CAJ | H7 | 109.5° | 109.5° |
H12 | CAG | H13 | 109.5° | 109.5° |
H14 | CAH | H15 | 109.5° | 109.5° |
H16 | CAI | H17 | 109.5° | 109.5° |
H16 | CAI | H18 | 109.5° | 109.5° |
H17 | CAI | H18 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAN | PAL | OAM | OAO | 123.7° | 120.0° |
OAN | PAL | OAM | CAK | 125.6° | 120.0° |
OAN | PAL | OAO | CAK | 112.4° | 120.0° |
OAN | PAL | CAK | CAJ | 66.5° | 76.0° |
OAN | PAL | CAK | PAP | 54.7° | 164.0° |
OAN | PAL | OAO | H1 | 0.0° | 180.0° |
OAN | PAL | OAM | H2 | 0.0° | 65.0° |
OAN | PAL | CAK | H3 | 170.9° | 43.9° |
CAE | CAD | CAC | H9 | 180.0° | 180.0° |
CAD | CAE | CAF | H8 | 180.0° | 180.0° |
CAE | CAD | CAC | CAB | 3.8° | 0.1° |
CAD | CAE | CAF | CAJ | 179.4° | 180.0° |
CAD | CAE | CAF | NAA | 0.8° | 0.3° |
CAE | CAD | CAC | H10 | 176.2° | 180.0° |
CAC | CAD | CAE | CAF | 1.9° | 0.0° |
CAD | CAC | CAB | H10 | 180.0° | 179.9° |
CAD | CAC | CAB | NAA | 3.0° | 0.2° |
CAC | CAD | CAE | H8 | 178.1° | 180.0° |
CAD | CAC | CAB | H11 | 177.0° | 180.0° |
CAE | CAF | CAJ | NAA | 178.4° | 179.7° |
CAE | CAF | CAJ | CAK | 121.7° | 87.9° |
CAE | CAF | NAA | CAB | 1.7° | 0.6° |
CAE | CAF | NAA | CAG | 178.3° | 179.7° |
CAE | CAF | CAJ | H6 | 117.2° | 152.1° |
CAE | CAF | CAJ | H7 | 0.7° | 32.0° |
CAF | CAE | CAD | H9 | 178.1° | 180.0° |
OAM | PAL | OAO | CAK | 114.7° | 120.0° |
OAM | PAL | CAK | CAJ | 66.6° | 44.0° |
OAM | PAL | CAK | PAP | 172.3° | 76.0° |
OAM | PAL | OAO | H1 | 132.9° | 60.1° |
OAM | PAL | CAK | H3 | 56.1° | 163.9° |
OAO | PAL | CAK | CAJ | 176.0° | 164.0° |
OAO | PAL | CAK | PAP | 54.9° | 43.9° |
OAO | PAL | OAM | H2 | 123.7° | 55.0° |
OAO | PAL | CAK | H3 | 61.3° | 76.1° |
PAL | CAK | PAP | OAS | 50.6° | 60.0° |
PAL | CAK | CAJ | CAF | 46.3° | 64.2° |
PAL | CAK | CAJ | PAP | 123.5° | 120.0° |
PAL | CAK | CAJ | H3 | 121.2° | 120.0° |
PAL | CAK | PAP | H3 | 116.0° | 120.0° |
PAL | CAK | PAP | OAR | 67.4° | 60.0° |
PAL | CAK | PAP | OAQ | 170.1° | 180.0° |
CAK | PAL | OAO | H1 | 112.4° | 59.9° |
CAK | PAL | OAM | H2 | 125.6° | 175.0° |
PAL | CAK | CAJ | H6 | 167.3° | 175.8° |
PAL | CAK | CAJ | H7 | 74.8° | 55.8° |
OAS | PAP | CAK | CAJ | 76.5° | 60.0° |
OAS | PAP | CAK | OAR | 118.0° | 120.0° |
OAS | PAP | CAK | OAQ | 119.5° | 120.0° |
OAS | PAP | OAR | OAQ | 116.4° | 120.1° |
OAS | PAP | CAK | H3 | 166.6° | 180.0° |
OAS | PAP | OAR | H4 | 0.0° | 60.0° |
OAS | PAP | OAQ | H5 | 0.0° | 180.0° |
CAC | CAB | NAA | CAF | 0.2° | 0.6° |
CAC | CAB | NAA | H11 | 180.0° | 179.8° |
CAC | CAB | NAA | CAG | 176.6° | 179.8° |
CAB | CAC | CAD | H9 | 176.2° | 179.9° |
CAF | CAJ | CAK | H6 | 121.0° | 120.0° |
CAF | CAJ | CAK | H7 | 121.0° | 120.0° |
CAF | CAJ | CAK | PAP | 169.7° | 175.8° |
CAJ | CAF | NAA | CAB | 179.9° | 179.7° |
CAJ | CAF | NAA | CAG | 3.2° | 0.0° |
CAF | CAJ | CAK | H3 | 75.0° | 55.7° |
CAF | CAJ | H6 | H7 | 116.8° | 120.0° |
CAJ | CAF | CAE | H8 | 0.6° | 0.0° |
NAA | CAF | CAJ | CAK | 59.8° | 91.8° |
CAF | NAA | CAB | CAG | 176.8° | 179.7° |
CAF | NAA | CAG | CAH | 111.4° | 81.2° |
NAA | CAF | CAJ | H6 | 61.2° | 28.2° |
NAA | CAF | CAJ | H7 | 179.1° | 148.3° |
NAA | CAF | CAE | H8 | 179.2° | 179.7° |
CAF | NAA | CAB | H11 | 179.8° | 179.7° |
CAF | NAA | CAG | H12 | 9.0° | 158.9° |
CAF | NAA | CAG | H13 | 128.2° | 38.9° |
CAJ | CAK | PAP | H3 | 116.9° | 120.0° |
CAJ | CAK | PAP | OAR | 165.5° | 180.0° |
CAJ | CAK | PAP | OAQ | 43.0° | 60.0° |
CAK | CAJ | H6 | H7 | 116.8° | 120.0° |
CAK | PAP | OAR | OAQ | 117.5° | 120.0° |
CAK | PAP | OAR | H4 | 126.1° | 180.0° |
CAK | PAP | OAQ | H5 | 125.3° | 60.0° |
PAP | CAK | CAJ | H6 | 69.2° | 55.7° |
PAP | CAK | CAJ | H7 | 48.7° | 64.3° |
CAB | NAA | CAG | CAH | 71.7° | 98.5° |
NAA | CAB | CAC | H10 | 177.0° | 179.7° |
CAB | NAA | CAG | H12 | 167.9° | 21.4° |
CAB | NAA | CAG | H13 | 48.7° | 141.4° |
OAR | PAP | CAK | H3 | 48.6° | 60.0° |
OAR | PAP | OAQ | H5 | 113.3° | 60.0° |
OAQ | PAP | CAK | H3 | 73.9° | 60.0° |
OAQ | PAP | OAR | H4 | 116.4° | 60.1° |
NAA | CAG | CAH | H12 | 120.4° | 119.9° |
NAA | CAG | CAH | H13 | 120.4° | 120.0° |
NAA | CAG | CAH | CAI | 167.8° | 174.9° |
CAG | NAA | CAB | H11 | 3.4° | 0.0° |
NAA | CAG | H12 | H13 | 118.8° | 120.0° |
NAA | CAG | CAH | H14 | 72.8° | 54.9° |
NAA | CAG | CAH | H15 | 48.4° | 65.1° |
CAG | CAH | CAI | H14 | 119.4° | 119.9° |
CAG | CAH | CAI | H15 | 119.4° | 120.0° |
CAH | CAG | H12 | H13 | 118.8° | 120.1° |
CAG | CAH | H14 | H15 | 121.7° | 120.0° |
CAG | CAH | CAI | H16 | 180.0° | 55.2° |
CAG | CAH | CAI | H17 | 60.0° | 64.8° |
CAG | CAH | CAI | H18 | 60.0° | 175.2° |
CAI | CAH | CAG | H12 | 47.5° | 65.2° |
CAI | CAH | CAG | H13 | 71.8° | 54.9° |
CAI | CAH | H14 | H15 | 121.8° | 120.1° |
CAH | CAI | H16 | H17 | 120.0° | 120.0° |
CAH | CAI | H16 | H18 | 120.0° | 120.0° |
CAH | CAI | H17 | H18 | 120.0° | 119.9° |
H3 | CAK | CAJ | H6 | 46.1° | 64.3° |
H3 | CAK | CAJ | H7 | 164.0° | 175.7° |
H8 | CAE | CAD | H9 | 1.9° | 0.0° |
H9 | CAD | CAC | H10 | 3.8° | 0.0° |
H10 | CAC | CAB | H11 | 3.0° | 0.0° |
H12 | CAG | CAH | H14 | 166.9° | 174.8° |
H12 | CAG | CAH | H15 | 72.0° | 54.8° |
H13 | CAG | CAH | H14 | 47.6° | 65.1° |
H13 | CAG | CAH | H15 | 168.8° | 174.9° |
H14 | CAH | CAI | H16 | 60.6° | 175.2° |
H14 | CAH | CAI | H17 | 179.4° | 55.1° |
H14 | CAH | CAI | H18 | 59.4° | 64.8° |
H15 | CAH | CAI | H16 | 60.6° | 64.8° |
H15 | CAH | CAI | H17 | 59.4° | 175.2° |
H15 | CAH | CAI | H18 | 179.4° | 55.2° |
H16 | CAI | H17 | H18 | 120.0° | 120.0° |