G1I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAO | NAN | sing | 1.47Å | 1.45Å | |
CAH | CAG | sing | 1.53Å | 1.53Å | |
CAH | CAI | sing | 1.53Å | 1.53Å | |
NAN | CAI | sing | 1.47Å | 1.45Å | |
CAG | CAE | sing | 1.51Å | 1.53Å | |
CAI | CAJ | sing | 1.53Å | 1.53Å | |
OAK | CAD | sing | 1.36Å | 1.40Å | |
CAE | CAD | doub | 1.39Å | 1.53Å | Aromatic |
CAE | CAF | sing | 1.38Å | 1.31Å | Aromatic |
CAJ | CAF | sing | 1.51Å | 1.52Å | |
CAJ | OAM | sing | 1.43Å | 1.40Å | |
CAD | CAC | sing | 1.39Å | 1.32Å | Aromatic |
CAF | CAA | doub | 1.39Å | 1.53Å | Aromatic |
CAC | OAL | sing | 1.36Å | 1.40Å | |
CAC | CAB | doub | 1.39Å | 1.53Å | Aromatic |
CAA | CAB | sing | 1.38Å | 1.32Å | Aromatic |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAJ | H8 | sing | 1.09Å | 1.10Å | |
CAO | H9 | sing | 1.09Å | 1.10Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CAO | H11 | sing | 1.09Å | 1.10Å | |
NAN | H12 | sing | 1.01Å | 1.00Å | |
OAK | H14 | sing | 0.97Å | 0.95Å | |
OAL | H15 | sing | 0.97Å | 0.95Å | |
OAM | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAO | NAN | CAI | 109.6° | 111.0° |
NAN | CAO | H9 | 109.5° | 109.4° |
NAN | CAO | H10 | 109.5° | 109.4° |
NAN | CAO | H11 | 109.5° | 109.5° |
CAO | NAN | H12 | 109.5° | 111.0° |
CAG | CAH | CAI | 112.7° | 108.4° |
CAH | CAG | CAE | 115.6° | 110.6° |
CAH | CAG | H3 | 107.9° | 109.2° |
CAH | CAG | H4 | 107.9° | 109.3° |
CAG | CAH | H5 | 108.7° | 109.7° |
CAG | CAH | H6 | 108.7° | 109.6° |
CAH | CAI | NAN | 109.7° | 109.6° |
CAH | CAI | CAJ | 109.6° | 108.2° |
CAI | CAH | H5 | 108.7° | 109.7° |
CAI | CAH | H6 | 108.7° | 109.7° |
CAH | CAI | H7 | 109.0° | 109.7° |
NAN | CAI | CAJ | 109.4° | 109.7° |
NAN | CAI | H7 | 110.1° | 109.7° |
CAI | NAN | H12 | 109.4° | 111.0° |
CAG | CAE | CAD | 116.2° | 117.8° |
CAG | CAE | CAF | 122.5° | 122.5° |
CAE | CAG | H3 | 107.9° | 109.2° |
CAE | CAG | H4 | 107.9° | 109.2° |
CAI | CAJ | CAF | 107.2° | 110.6° |
CAI | CAJ | OAM | 110.4° | 109.2° |
CAJ | CAI | H7 | 109.0° | 109.9° |
CAI | CAJ | H8 | 108.9° | 109.3° |
OAK | CAD | CAE | 120.2° | 119.8° |
OAK | CAD | CAC | 120.8° | 119.8° |
CAD | OAK | H14 | 109.5° | 114.0° |
CAD | CAE | CAF | 121.3° | 119.7° |
CAE | CAD | CAC | 119.0° | 120.4° |
CAE | CAF | CAJ | 118.3° | 122.5° |
CAE | CAF | CAA | 119.8° | 119.7° |
CAF | CAJ | OAM | 110.6° | 109.1° |
CAJ | CAF | CAA | 121.9° | 117.7° |
CAF | CAJ | H8 | 108.9° | 109.4° |
OAM | CAJ | H8 | 110.7° | 109.2° |
CAJ | OAM | H16 | 109.5° | 114.0° |
CAD | CAC | OAL | 120.0° | 120.2° |
CAD | CAC | CAB | 120.0° | 119.6° |
CAF | CAA | CAB | 119.3° | 120.8° |
CAF | CAA | H1 | 120.3° | 119.6° |
OAL | CAC | CAB | 120.0° | 120.2° |
CAC | OAL | H15 | 109.5° | 113.9° |
CAC | CAB | CAA | 120.6° | 119.8° |
CAC | CAB | H2 | 119.7° | 120.1° |
CAB | CAA | H1 | 120.4° | 119.6° |
CAA | CAB | H2 | 119.7° | 120.1° |
H3 | CAG | H4 | 109.4° | 109.2° |
H5 | CAH | H6 | 109.4° | 109.7° |
H9 | CAO | H10 | 109.5° | 109.5° |
H9 | CAO | H11 | 109.5° | 109.5° |
H10 | CAO | H11 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAO | NAN | CAI | CAH | 78.7° | 85.0° |
CAO | NAN | CAI | H12 | 120.0° | 124.0° |
CAO | NAN | CAI | CAJ | 161.0° | 156.3° |
CAO | NAN | CAI | H7 | 41.2° | 35.5° |
NAN | CAO | H9 | H10 | 120.0° | 120.0° |
NAN | CAO | H9 | H11 | 120.0° | 120.0° |
NAN | CAO | H10 | H11 | 120.0° | 120.0° |
CAG | CAH | CAI | H5 | 120.5° | 119.7° |
CAG | CAH | CAI | H6 | 120.5° | 119.7° |
CAG | CAH | CAI | NAN | 165.5° | 170.4° |
CAH | CAG | CAE | H3 | 120.9° | 120.3° |
CAH | CAG | CAE | H4 | 120.9° | 120.3° |
CAG | CAH | CAI | CAJ | 45.3° | 70.0° |
CAH | CAG | CAE | CAD | 158.1° | 162.4° |
CAH | CAG | CAE | CAF | 22.2° | 17.7° |
CAH | CAG | H3 | H4 | 117.2° | 119.4° |
CAG | CAH | H5 | H6 | 118.5° | 120.5° |
CAG | CAH | CAI | H7 | 73.9° | 49.9° |
CAH | CAI | NAN | CAJ | 120.3° | 118.7° |
CAH | CAI | NAN | H7 | 119.9° | 120.5° |
CAI | CAH | CAG | CAE | 2.6° | 51.1° |
CAH | CAI | CAJ | H7 | 119.2° | 119.8° |
CAH | CAI | CAJ | CAF | 66.0° | 51.4° |
CAH | CAI | CAJ | OAM | 173.4° | 171.5° |
CAI | CAH | CAG | H3 | 123.6° | 69.2° |
CAI | CAH | CAG | H4 | 118.3° | 171.4° |
CAI | CAH | H5 | H6 | 118.5° | 120.6° |
CAH | CAI | CAJ | H8 | 51.6° | 69.1° |
CAH | CAI | NAN | H12 | 161.3° | 151.0° |
NAN | CAI | CAJ | H7 | 120.4° | 120.7° |
NAN | CAI | CAJ | CAF | 173.6° | 171.0° |
NAN | CAI | CAJ | OAM | 53.0° | 68.9° |
NAN | CAI | CAH | H5 | 74.0° | 50.7° |
NAN | CAI | CAH | H6 | 45.0° | 69.9° |
NAN | CAI | CAJ | H8 | 68.7° | 50.5° |
CAI | NAN | CAO | H9 | 180.0° | 60.0° |
CAI | NAN | CAO | H10 | 60.0° | 180.0° |
CAI | NAN | CAO | H11 | 60.0° | 60.0° |
CAG | CAE | CAD | OAK | 0.2° | 0.7° |
CAG | CAE | CAD | CAF | 179.7° | 179.9° |
CAG | CAE | CAF | CAJ | 0.2° | 0.9° |
CAG | CAE | CAD | CAC | 179.8° | 179.4° |
CAG | CAE | CAF | CAA | 179.7° | 178.9° |
CAE | CAG | H3 | H4 | 117.2° | 119.4° |
CAE | CAG | CAH | H5 | 123.2° | 170.9° |
CAE | CAG | CAH | H6 | 117.9° | 68.6° |
CAI | CAJ | CAF | CAE | 43.7° | 18.1° |
CAI | CAJ | CAF | OAM | 120.4° | 120.2° |
CAI | CAJ | CAF | H8 | 117.7° | 120.4° |
CAI | CAJ | OAM | H8 | 120.6° | 119.4° |
CAI | CAJ | CAF | CAA | 135.8° | 161.7° |
CAJ | CAI | CAH | H5 | 165.9° | 170.3° |
CAJ | CAI | CAH | H6 | 75.2° | 49.7° |
CAJ | CAI | NAN | H12 | 40.9° | 32.3° |
CAI | CAJ | OAM | H16 | 180.0° | 180.0° |
OAK | CAD | CAE | CAC | 179.6° | 180.0° |
OAK | CAD | CAE | CAF | 179.9° | 179.5° |
OAK | CAD | CAC | OAL | 0.2° | 0.1° |
OAK | CAD | CAC | CAB | 179.8° | 180.0° |
CAD | CAE | CAF | CAJ | 179.9° | 179.2° |
CAD | CAE | CAF | CAA | 0.5° | 1.0° |
CAE | CAD | CAC | OAL | 179.8° | 180.0° |
CAE | CAD | CAC | CAB | 0.2° | 0.1° |
CAD | CAE | CAG | H3 | 81.0° | 77.3° |
CAD | CAE | CAG | H4 | 37.2° | 42.1° |
CAE | CAD | OAK | H14 | 180.0° | 90.0° |
CAE | CAF | CAJ | CAA | 179.5° | 179.8° |
CAE | CAF | CAJ | OAM | 164.1° | 138.3° |
CAF | CAE | CAD | CAC | 0.4° | 0.5° |
CAE | CAF | CAA | CAB | 0.4° | 0.9° |
CAE | CAF | CAA | H1 | 179.6° | 179.5° |
CAF | CAE | CAG | H3 | 98.7° | 102.6° |
CAF | CAE | CAG | H4 | 143.1° | 138.0° |
CAE | CAF | CAJ | H8 | 74.0° | 102.3° |
CAF | CAJ | OAM | H8 | 120.8° | 119.6° |
CAJ | CAF | CAA | CAB | 179.9° | 179.3° |
CAJ | CAF | CAA | H1 | 0.1° | 0.3° |
CAF | CAJ | CAI | H7 | 53.2° | 68.4° |
CAF | CAJ | OAM | H16 | 61.5° | 59.0° |
OAM | CAJ | CAF | CAA | 15.4° | 41.5° |
OAM | CAJ | CAI | H7 | 67.4° | 51.7° |
CAD | CAC | OAL | CAB | 180.0° | 179.9° |
CAD | CAC | CAB | CAA | 0.0° | 0.2° |
CAD | CAC | CAB | H2 | 180.0° | 179.8° |
CAC | CAD | OAK | H14 | 0.4° | 90.0° |
CAD | CAC | OAL | H15 | 180.0° | 90.1° |
CAF | CAA | CAB | CAC | 0.1° | 0.3° |
CAF | CAA | CAB | H1 | 180.0° | 179.6° |
CAF | CAA | CAB | H2 | 179.9° | 179.7° |
CAA | CAF | CAJ | H8 | 106.5° | 77.9° |
OAL | CAC | CAB | CAA | 179.9° | 179.9° |
OAL | CAC | CAB | H2 | 0.0° | 0.1° |
CAC | CAB | CAA | H2 | 180.0° | 180.0° |
CAC | CAB | CAA | H1 | 179.9° | 179.9° |
CAB | CAC | OAL | H15 | 0.0° | 90.0° |
H1 | CAA | CAB | H2 | 0.1° | 0.1° |
H3 | CAG | CAH | H5 | 115.9° | 50.6° |
H3 | CAG | CAH | H6 | 3.0° | 171.1° |
H4 | CAG | CAH | H5 | 2.2° | 68.8° |
H4 | CAG | CAH | H6 | 121.2° | 51.7° |
H5 | CAH | CAI | H7 | 46.6° | 69.8° |
H6 | CAH | CAI | H7 | 165.6° | 169.6° |
H7 | CAI | CAJ | H8 | 170.9° | 171.1° |
H7 | CAI | NAN | H12 | 78.9° | 88.5° |
H8 | CAJ | OAM | H16 | 59.4° | 60.5° |
H9 | CAO | H10 | H11 | 120.0° | 120.1° |
H9 | CAO | NAN | H12 | 60.0° | 176.0° |
H10 | CAO | NAN | H12 | 60.0° | 56.1° |
H11 | CAO | NAN | H12 | 180.0° | 63.9° |