07V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAH | doub | 1.31Å | 1.37Å | |
CAF | CAE | sing | 1.50Å | 1.49Å | |
CAF | CAK | sing | 1.53Å | 1.50Å | |
CAE | CAI | doub | 1.33Å | 1.50Å | |
CAH | CAK | sing | 1.51Å | 1.51Å | |
CAH | CAB | sing | 1.51Å | 1.48Å | |
CAK | CAG | sing | 1.54Å | 1.51Å | |
CAI | CAC | sing | 1.51Å | 1.49Å | |
CAI | CAJ | sing | 1.47Å | 1.50Å | |
CAG | CAJ | sing | 1.51Å | 1.49Å | |
CAJ | OAD | doub | 1.21Å | 1.22Å | |
CAG | H1 | sing | 1.09Å | 1.10Å | |
CAG | H2 | sing | 1.09Å | 1.10Å | |
CAC | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.09Å | 1.10Å | |
CAC | H5 | sing | 1.09Å | 1.10Å | |
CAE | H6 | sing | 1.08Å | 1.08Å | |
CAF | H7 | sing | 1.09Å | 1.10Å | |
CAF | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAB | H10 | sing | 1.09Å | 1.10Å | |
CAB | H11 | sing | 1.09Å | 1.10Å | |
CAB | H12 | sing | 1.09Å | 1.10Å | |
CAA | H13 | sing | 1.08Å | 1.08Å | |
CAA | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAH | CAK | 119.0° | 119.9° |
CAA | CAH | CAB | 119.8° | 120.0° |
CAH | CAA | H13 | 120.0° | 120.0° |
CAH | CAA | H14 | 120.0° | 120.0° |
CAE | CAF | CAK | 112.1° | 111.2° |
CAF | CAE | CAI | 118.7° | 123.2° |
CAF | CAE | H6 | 120.7° | 118.4° |
CAE | CAF | H7 | 108.8° | 109.2° |
CAE | CAF | H8 | 108.8° | 109.1° |
CAF | CAK | CAH | 109.9° | 109.5° |
CAF | CAK | CAG | 113.6° | 109.0° |
CAK | CAF | H7 | 108.8° | 109.1° |
CAK | CAF | H8 | 108.8° | 109.1° |
CAF | CAK | H9 | 107.8° | 109.5° |
CAE | CAI | CAC | 119.2° | 119.7° |
CAE | CAI | CAJ | 119.9° | 120.6° |
CAI | CAE | H6 | 120.7° | 118.4° |
CAK | CAH | CAB | 117.8° | 120.0° |
CAH | CAK | CAG | 109.8° | 109.6° |
CAH | CAK | H9 | 107.7° | 109.6° |
CAH | CAB | H10 | 109.5° | 109.4° |
CAH | CAB | H11 | 109.5° | 109.5° |
CAH | CAB | H12 | 109.5° | 109.5° |
CAK | CAG | CAJ | 110.3° | 107.3° |
CAK | CAG | H1 | 109.2° | 109.9° |
CAK | CAG | H2 | 109.3° | 109.9° |
CAG | CAK | H9 | 107.7° | 109.5° |
CAC | CAI | CAJ | 120.8° | 119.7° |
CAI | CAC | H3 | 109.5° | 109.5° |
CAI | CAC | H4 | 109.5° | 109.5° |
CAI | CAC | H5 | 109.5° | 109.5° |
CAI | CAJ | CAG | 118.2° | 117.8° |
CAI | CAJ | OAD | 121.1° | 121.1° |
CAG | CAJ | OAD | 120.7° | 121.1° |
CAJ | CAG | H1 | 109.3° | 109.9° |
CAJ | CAG | H2 | 109.3° | 109.9° |
H1 | CAG | H2 | 109.4° | 109.8° |
H3 | CAC | H4 | 109.5° | 109.4° |
H3 | CAC | H5 | 109.4° | 109.5° |
H4 | CAC | H5 | 109.5° | 109.4° |
H7 | CAF | H8 | 109.5° | 109.0° |
H10 | CAB | H11 | 109.4° | 109.5° |
H10 | CAB | H12 | 109.5° | 109.5° |
H11 | CAB | H12 | 109.5° | 109.5° |
H13 | CAA | H14 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAH | CAK | CAF | 15.5° | 120.0° |
CAA | CAH | CAK | CAB | 159.1° | 180.0° |
CAA | CAH | CAK | CAG | 141.2° | 120.4° |
CAA | CAH | CAK | H9 | 101.7° | 0.2° |
CAA | CAH | CAB | H10 | 180.0° | 89.9° |
CAA | CAH | CAB | H11 | 60.0° | 30.0° |
CAA | CAH | CAB | H12 | 60.0° | 150.0° |
CAH | CAA | H13 | H14 | 180.0° | 180.0° |
CAE | CAF | CAK | H7 | 120.4° | 120.5° |
CAE | CAF | CAK | H8 | 120.4° | 120.4° |
CAF | CAE | CAI | H6 | 180.0° | 180.0° |
CAE | CAF | CAK | CAH | 177.9° | 172.6° |
CAE | CAF | CAK | CAG | 54.5° | 52.7° |
CAF | CAE | CAI | CAC | 175.3° | 179.6° |
CAF | CAE | CAI | CAJ | 9.1° | 0.4° |
CAE | CAF | H7 | H8 | 118.8° | 119.1° |
CAE | CAF | CAK | H9 | 64.9° | 67.1° |
CAK | CAF | CAE | CAI | 19.3° | 21.9° |
CAF | CAK | CAH | CAG | 125.7° | 119.6° |
CAF | CAK | CAH | H9 | 117.2° | 120.2° |
CAF | CAK | CAH | CAB | 174.6° | 60.0° |
CAF | CAK | CAG | H9 | 119.4° | 119.8° |
CAF | CAK | CAG | CAJ | 59.1° | 61.9° |
CAF | CAK | CAG | H1 | 179.2° | 57.5° |
CAF | CAK | CAG | H2 | 61.1° | 178.5° |
CAK | CAF | CAE | H6 | 160.7° | 158.1° |
CAK | CAF | H7 | H8 | 118.8° | 119.1° |
CAE | CAI | CAC | CAJ | 175.6° | 180.0° |
CAE | CAI | CAJ | CAG | 3.9° | 11.4° |
CAE | CAI | CAJ | OAD | 175.5° | 168.6° |
CAE | CAI | CAC | H3 | 180.0° | 89.9° |
CAE | CAI | CAC | H4 | 60.0° | 30.0° |
CAE | CAI | CAC | H5 | 60.0° | 150.0° |
CAI | CAE | CAF | H7 | 139.7° | 142.4° |
CAI | CAE | CAF | H8 | 101.1° | 98.5° |
CAH | CAK | CAG | H9 | 117.1° | 120.3° |
CAH | CAK | CAG | CAJ | 177.4° | 178.2° |
CAH | CAK | CAG | H1 | 57.2° | 62.3° |
CAH | CAK | CAG | H2 | 62.5° | 58.7° |
CAH | CAK | CAF | H7 | 61.7° | 66.9° |
CAH | CAK | CAF | H8 | 57.6° | 52.2° |
CAK | CAH | CAB | H10 | 21.0° | 90.0° |
CAK | CAH | CAB | H11 | 98.9° | 150.0° |
CAK | CAH | CAB | H12 | 141.1° | 30.0° |
CAK | CAH | CAA | H13 | 158.6° | 0.0° |
CAK | CAH | CAA | H14 | 21.3° | 180.0° |
CAB | CAH | CAK | CAG | 59.7° | 59.5° |
CAB | CAH | CAK | H9 | 57.3° | 179.8° |
CAH | CAB | H10 | H11 | 120.0° | 120.0° |
CAH | CAB | H10 | H12 | 120.0° | 120.0° |
CAH | CAB | H11 | H12 | 120.0° | 120.0° |
CAB | CAH | CAA | H13 | 0.0° | 180.0° |
CAB | CAH | CAA | H14 | 180.0° | 0.0° |
CAK | CAG | CAJ | CAI | 28.7° | 41.9° |
CAK | CAG | CAJ | H1 | 120.1° | 119.5° |
CAK | CAG | CAJ | H2 | 120.2° | 119.5° |
CAK | CAG | CAJ | OAD | 151.9° | 138.1° |
CAK | CAG | H1 | H2 | 119.6° | 121.1° |
CAG | CAK | CAF | H7 | 174.9° | 173.2° |
CAG | CAK | CAF | H8 | 65.9° | 67.7° |
CAC | CAI | CAJ | CAG | 179.5° | 168.6° |
CAC | CAI | CAJ | OAD | 0.1° | 11.4° |
CAI | CAC | H3 | H4 | 120.0° | 120.0° |
CAI | CAC | H3 | H5 | 120.0° | 120.1° |
CAI | CAC | H4 | H5 | 120.0° | 120.0° |
CAC | CAI | CAE | H6 | 4.7° | 0.5° |
CAI | CAJ | CAG | OAD | 179.4° | 180.0° |
CAI | CAJ | CAG | H1 | 148.8° | 77.5° |
CAI | CAJ | CAG | H2 | 91.5° | 161.5° |
CAJ | CAI | CAC | H3 | 4.4° | 90.1° |
CAJ | CAI | CAC | H4 | 115.7° | 150.0° |
CAJ | CAI | CAC | H5 | 124.3° | 30.0° |
CAJ | CAI | CAE | H6 | 171.0° | 179.6° |
CAJ | CAG | H1 | H2 | 119.6° | 121.1° |
CAJ | CAG | CAK | H9 | 60.3° | 57.9° |
OAD | CAJ | CAG | H1 | 31.8° | 102.4° |
OAD | CAJ | CAG | H2 | 87.9° | 18.6° |
H1 | CAG | CAK | H9 | 59.8° | 177.4° |
H2 | CAG | CAK | H9 | 179.5° | 61.6° |
H3 | CAC | H4 | H5 | 120.0° | 120.0° |
H6 | CAE | CAF | H7 | 40.3° | 37.6° |
H6 | CAE | CAF | H8 | 79.0° | 81.5° |
H7 | CAF | CAK | H9 | 55.5° | 53.4° |
H8 | CAF | CAK | H9 | 174.7° | 172.4° |
H10 | CAB | H11 | H12 | 120.0° | 120.1° |