08H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAE | CAC | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
CAG | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAQ | CAF | sing | 1.40Å | 1.39Å | Aromatic |
CAQ | CAO | sing | 1.48Å | 1.44Å | |
NAL | CAO | doub | 1.29Å | 1.35Å | |
NAL | CAK | sing | 1.47Å | 1.49Å | |
CAO | CAS | sing | 1.47Å | 1.43Å | |
CAK | CAT | sing | 1.51Å | 1.50Å | |
CAS | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
CAS | CAU | sing | 1.40Å | 1.40Å | Aromatic |
CAJ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAT | NAN | doub | 1.30Å | 1.35Å | Aromatic |
CAT | NAV | sing | 1.36Å | 1.34Å | Aromatic |
NAN | NAM | sing | 1.29Å | 1.28Å | Aromatic |
NAV | CAU | sing | 1.40Å | 1.39Å | |
NAV | CAR | sing | 1.36Å | 1.36Å | Aromatic |
CAU | CAI | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CLAB | sing | 1.74Å | 1.74Å | |
CAP | CAH | doub | 1.39Å | 1.40Å | Aromatic |
NAM | CAR | doub | 1.31Å | 1.34Å | Aromatic |
CAR | CAA | sing | 1.51Å | 1.54Å | |
CAI | CAH | sing | 1.38Å | 1.41Å | Aromatic |
CAJ | H1 | sing | 1.08Å | 1.08Å | |
CAH | H2 | sing | 1.08Å | 1.08Å | |
CAI | H3 | sing | 1.08Å | 1.08Å | |
CAA | H4 | sing | 1.09Å | 1.10Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAK | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.09Å | 1.10Å | |
CAF | H12 | sing | 1.08Å | 1.08Å | |
CAD | H13 | sing | 1.08Å | 1.08Å | |
CAC | H14 | sing | 1.08Å | 1.08Å | |
CAE | H15 | sing | 1.08Å | 1.08Å | |
CAG | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAE | CAG | 121.4° | 120.1° |
CAE | CAC | CAD | 117.3° | 120.3° |
CAE | CAC | H14 | 121.3° | 119.8° |
CAC | CAE | H15 | 119.3° | 119.9° |
CAE | CAG | CAQ | 122.0° | 119.9° |
CAG | CAE | H15 | 119.3° | 119.9° |
CAE | CAG | H16 | 119.0° | 120.1° |
CAC | CAD | CAF | 121.1° | 120.1° |
CAC | CAD | H13 | 119.5° | 120.0° |
CAD | CAC | H14 | 121.3° | 119.9° |
CAG | CAQ | CAF | 116.4° | 119.7° |
CAG | CAQ | CAO | 122.4° | 120.2° |
CAQ | CAG | H16 | 119.0° | 120.0° |
CAD | CAF | CAQ | 121.7° | 119.9° |
CAD | CAF | H12 | 119.1° | 120.1° |
CAF | CAD | H13 | 119.4° | 119.9° |
CAF | CAQ | CAO | 121.1° | 120.1° |
CAQ | CAF | H12 | 119.1° | 120.1° |
CAQ | CAO | NAL | 115.2° | 116.1° |
CAQ | CAO | CAS | 121.2° | 116.1° |
CAO | NAL | CAK | 123.1° | 121.9° |
NAL | CAO | CAS | 121.6° | 127.9° |
NAL | CAK | CAT | 104.2° | 107.8° |
NAL | CAK | H7 | 111.2° | 109.8° |
NAL | CAK | H8 | 111.2° | 109.8° |
CAO | CAS | CAJ | 115.9° | 118.1° |
CAO | CAS | CAU | 125.0° | 123.1° |
CAK | CAT | NAN | 126.4° | 127.5° |
CAK | CAT | NAV | 123.6° | 125.0° |
CAT | CAK | H7 | 111.3° | 109.9° |
CAT | CAK | H8 | 111.3° | 109.8° |
CAJ | CAS | CAU | 119.1° | 118.8° |
CAS | CAJ | CAP | 118.1° | 120.6° |
CAS | CAJ | H1 | 120.9° | 119.7° |
CAS | CAU | NAV | 124.2° | 121.7° |
CAS | CAU | CAI | 122.1° | 119.9° |
CAJ | CAP | CLAB | 119.9° | 119.9° |
CAJ | CAP | CAH | 123.4° | 120.2° |
CAP | CAJ | H1 | 121.0° | 119.7° |
NAN | CAT | NAV | 109.8° | 107.4° |
CAT | NAN | NAM | 107.8° | 109.6° |
CAT | NAV | CAU | 124.1° | 126.1° |
CAT | NAV | CAR | 104.2° | 106.0° |
NAN | NAM | CAR | 108.8° | 109.9° |
CAU | NAV | CAR | 131.7° | 127.8° |
NAV | CAU | CAI | 113.7° | 118.3° |
NAV | CAR | NAM | 109.4° | 107.0° |
NAV | CAR | CAA | 128.3° | 126.5° |
CAU | CAI | CAH | 119.2° | 120.5° |
CAU | CAI | H3 | 120.4° | 119.8° |
CLAB | CAP | CAH | 116.6° | 119.9° |
CAP | CAH | CAI | 118.0° | 119.9° |
CAP | CAH | H2 | 121.0° | 120.0° |
NAM | CAR | CAA | 122.3° | 126.5° |
CAR | CAA | H4 | 109.5° | 109.5° |
CAR | CAA | H5 | 109.4° | 109.5° |
CAR | CAA | H6 | 109.5° | 109.5° |
CAI | CAH | H2 | 121.0° | 120.0° |
CAH | CAI | H3 | 120.4° | 119.7° |
H4 | CAA | H5 | 109.4° | 109.4° |
H4 | CAA | H6 | 109.5° | 109.4° |
H5 | CAA | H6 | 109.5° | 109.5° |
H7 | CAK | H8 | 107.6° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAE | CAG | H15 | 180.0° | 179.7° |
CAE | CAC | CAD | H14 | 180.0° | 180.0° |
CAC | CAE | CAG | CAQ | 0.8° | 0.5° |
CAE | CAC | CAD | CAF | 1.3° | 0.0° |
CAE | CAC | CAD | H13 | 178.7° | 180.0° |
CAC | CAE | CAG | H16 | 179.1° | 180.0° |
CAG | CAE | CAC | CAD | 0.6° | 0.3° |
CAE | CAG | CAQ | H16 | 180.0° | 179.5° |
CAE | CAG | CAQ | CAF | 1.6° | 0.5° |
CAE | CAG | CAQ | CAO | 176.9° | 179.8° |
CAG | CAE | CAC | H14 | 179.4° | 179.8° |
CAC | CAD | CAF | H13 | 180.0° | 179.9° |
CAC | CAD | CAF | CAQ | 2.2° | 0.0° |
CAC | CAD | CAF | H12 | 177.8° | 180.0° |
CAD | CAC | CAE | H15 | 179.4° | 180.0° |
CAG | CAQ | CAF | CAD | 2.3° | 0.3° |
CAG | CAQ | CAF | CAO | 178.5° | 179.7° |
CAG | CAQ | CAO | NAL | 29.4° | 154.7° |
CAG | CAQ | CAO | CAS | 166.0° | 25.3° |
CAG | CAQ | CAF | H12 | 177.8° | 179.8° |
CAQ | CAG | CAE | H15 | 179.2° | 179.7° |
CAD | CAF | CAQ | H12 | 180.0° | 180.0° |
CAD | CAF | CAQ | CAO | 176.3° | 180.0° |
CAF | CAD | CAC | H14 | 178.7° | 179.9° |
CAF | CAQ | CAO | NAL | 149.0° | 25.0° |
CAF | CAQ | CAO | CAS | 15.6° | 155.0° |
CAQ | CAF | CAD | H13 | 177.8° | 180.0° |
CAF | CAQ | CAG | H16 | 178.4° | 180.0° |
CAQ | CAO | NAL | CAS | 164.5° | 180.0° |
CAQ | CAO | NAL | CAK | 179.9° | 178.5° |
CAQ | CAO | CAS | CAJ | 47.6° | 40.5° |
CAQ | CAO | CAS | CAU | 130.5° | 138.0° |
CAO | CAQ | CAF | H12 | 3.7° | 0.1° |
CAO | CAQ | CAG | H16 | 3.1° | 0.3° |
CAO | NAL | CAK | CAT | 73.6° | 61.4° |
NAL | CAO | CAS | CAJ | 148.8° | 139.5° |
NAL | CAO | CAS | CAU | 33.1° | 42.0° |
CAO | NAL | CAK | H7 | 46.4° | 58.3° |
CAO | NAL | CAK | H8 | 166.4° | 179.1° |
CAK | NAL | CAO | CAS | 15.3° | 1.5° |
NAL | CAK | CAT | H7 | 120.0° | 119.6° |
NAL | CAK | CAT | H8 | 120.0° | 119.6° |
NAL | CAK | CAT | NAN | 114.3° | 119.8° |
NAL | CAK | CAT | NAV | 61.0° | 58.4° |
NAL | CAK | H7 | H8 | 122.1° | 120.8° |
CAO | CAS | CAJ | CAU | 178.2° | 178.6° |
CAO | CAS | CAJ | CAP | 179.8° | 177.5° |
CAO | CAS | CAU | NAV | 2.0° | 4.9° |
CAO | CAS | CAU | CAI | 180.0° | 176.8° |
CAO | CAS | CAJ | H1 | 0.2° | 2.5° |
CAK | CAT | NAN | NAV | 175.9° | 178.5° |
CAK | CAT | NAN | NAM | 175.3° | 176.8° |
CAK | CAT | NAV | CAU | 5.4° | 4.5° |
CAK | CAT | NAV | CAR | 176.5° | 176.4° |
CAT | CAK | H7 | H8 | 122.2° | 120.8° |
CAS | CAJ | CAP | H1 | 180.0° | 180.0° |
CAJ | CAS | CAU | NAV | 179.9° | 176.6° |
CAJ | CAS | CAU | CAI | 1.9° | 1.8° |
CAS | CAJ | CAP | CLAB | 179.9° | 180.0° |
CAS | CAJ | CAP | CAH | 1.9° | 0.0° |
CAU | CAS | CAJ | CAP | 2.0° | 1.1° |
CAS | CAU | NAV | CAT | 40.9° | 36.2° |
CAS | CAU | NAV | CAI | 178.2° | 178.4° |
CAS | CAU | NAV | CAR | 141.6° | 144.9° |
CAS | CAU | CAI | CAH | 1.6° | 1.2° |
CAU | CAS | CAJ | H1 | 178.0° | 178.9° |
CAS | CAU | CAI | H3 | 178.4° | 178.8° |
CAJ | CAP | CLAB | CAH | 178.1° | 180.0° |
CAJ | CAP | CAH | CAI | 1.7° | 0.6° |
CAJ | CAP | CAH | H2 | 178.3° | 179.5° |
NAN | CAT | NAV | CAU | 178.6° | 177.0° |
NAN | CAT | NAV | CAR | 0.5° | 2.1° |
CAT | NAN | NAM | CAR | 1.5° | 0.6° |
NAN | CAT | CAK | H7 | 125.7° | 120.6° |
NAN | CAT | CAK | H8 | 5.7° | 0.2° |
NAV | CAT | NAN | NAM | 0.6° | 1.7° |
CAT | NAV | CAU | CAR | 177.5° | 178.9° |
CAT | NAV | CAU | CAI | 137.3° | 142.2° |
CAT | NAV | CAR | NAM | 1.4° | 1.7° |
CAT | NAV | CAR | CAA | 178.9° | 178.2° |
NAV | CAT | CAK | H7 | 59.0° | 61.1° |
NAV | CAT | CAK | H8 | 179.0° | 178.0° |
NAN | NAM | CAR | NAV | 1.8° | 0.8° |
NAN | NAM | CAR | CAA | 179.5° | 179.2° |
CAU | NAV | CAR | NAM | 179.2° | 177.3° |
CAU | NAV | CAR | CAA | 3.2° | 2.7° |
NAV | CAU | CAI | CAH | 179.8° | 177.1° |
NAV | CAU | CAI | H3 | 0.2° | 2.8° |
CAR | NAV | CAU | CAI | 40.2° | 36.7° |
NAV | CAR | NAM | CAA | 177.7° | 180.0° |
NAV | CAR | CAA | H4 | 177.2° | 84.3° |
NAV | CAR | CAA | H5 | 57.2° | 155.7° |
NAV | CAR | CAA | H6 | 62.7° | 35.7° |
CAU | CAI | CAH | CAP | 1.4° | 0.1° |
CAU | CAI | CAH | H3 | 180.0° | 179.9° |
CAU | CAI | CAH | H2 | 178.6° | 179.9° |
CLAB | CAP | CAH | CAI | 179.7° | 179.4° |
CLAB | CAP | CAJ | H1 | 0.1° | 0.0° |
CLAB | CAP | CAH | H2 | 0.3° | 0.5° |
CAP | CAH | CAI | H2 | 180.0° | 179.9° |
CAH | CAP | CAJ | H1 | 178.0° | 180.0° |
CAP | CAH | CAI | H3 | 178.6° | 180.0° |
NAM | CAR | CAA | H4 | 0.0° | 95.7° |
NAM | CAR | CAA | H5 | 120.0° | 24.3° |
NAM | CAR | CAA | H6 | 120.0° | 144.3° |
CAR | CAA | H4 | H5 | 120.0° | 120.0° |
CAR | CAA | H4 | H6 | 120.0° | 120.0° |
CAR | CAA | H5 | H6 | 120.0° | 120.0° |
H2 | CAH | CAI | H3 | 1.4° | 0.0° |
H4 | CAA | H5 | H6 | 120.0° | 120.0° |
H12 | CAF | CAD | H13 | 2.2° | 0.0° |
H13 | CAD | CAC | H14 | 1.3° | 0.0° |
H14 | CAC | CAE | H15 | 0.6° | 0.0° |
H15 | CAE | CAG | H16 | 0.9° | 0.3° |