9C5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAD | sing | 1.43Å | 1.40Å | |
CAD | CAC | sing | 1.53Å | 1.48Å | |
CAC | NAB | sing | 1.46Å | 1.47Å | |
CAA | NAB | sing | 1.46Å | 1.47Å | |
NAB | CAF | sing | 1.39Å | 1.34Å | |
CAF | CAK | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
CAK | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
CAG | CAH | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAI | doub | 1.40Å | 1.39Å | Aromatic |
CAH | CAI | sing | 1.40Å | 1.39Å | Aromatic |
CAI | CAL | sing | 1.48Å | 1.40Å | |
CAL | NAM | doub | 1.31Å | 1.34Å | |
CAL | NAV | sing | 1.37Å | 1.40Å | |
NAM | CAN | sing | 1.35Å | 1.34Å | |
NAV | CAT | sing | 1.35Å | 1.39Å | |
CAN | CAS | doub | 1.40Å | 1.39Å | Aromatic |
CAN | CAO | sing | 1.41Å | 1.39Å | Aromatic |
CAS | CAR | sing | 1.38Å | 1.38Å | Aromatic |
CAT | CAO | sing | 1.47Å | 1.40Å | |
CAT | OAU | doub | 1.22Å | 1.23Å | |
CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
CAR | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
OAE | H1 | sing | 0.97Å | 0.95Å | |
CAD | H2 | sing | 1.09Å | 1.10Å | |
CAD | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.09Å | 1.10Å | |
CAC | H5 | sing | 1.09Å | 1.10Å | |
CAA | H6 | sing | 1.09Å | 1.10Å | |
CAA | H7 | sing | 1.09Å | 1.10Å | |
CAA | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.08Å | 1.08Å | |
CAJ | H10 | sing | 1.08Å | 1.08Å | |
CAG | H11 | sing | 1.08Å | 1.08Å | |
CAH | H12 | sing | 1.08Å | 1.08Å | |
CAS | H13 | sing | 1.08Å | 1.08Å | |
CAR | H14 | sing | 1.08Å | 1.08Å | |
CAQ | H15 | sing | 1.08Å | 1.08Å | |
CAP | H16 | sing | 1.08Å | 1.08Å | |
NAV | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAD | CAC | 102.2° | 109.5° |
CAD | OAE | H1 | 109.5° | 114.0° |
OAE | CAD | H2 | 111.2° | 109.5° |
OAE | CAD | H3 | 111.3° | 109.5° |
CAD | CAC | NAB | 102.3° | 109.5° |
CAC | CAD | H2 | 111.3° | 109.4° |
CAC | CAD | H3 | 111.3° | 109.5° |
CAD | CAC | H4 | 111.2° | 109.5° |
CAD | CAC | H5 | 111.2° | 109.5° |
CAC | NAB | CAA | 120.1° | 120.0° |
CAC | NAB | CAF | 121.5° | 120.0° |
NAB | CAC | H4 | 111.2° | 109.5° |
NAB | CAC | H5 | 111.2° | 109.5° |
CAA | NAB | CAF | 118.2° | 120.0° |
NAB | CAA | H6 | 109.5° | 109.4° |
NAB | CAA | H7 | 109.5° | 109.5° |
NAB | CAA | H8 | 109.5° | 109.5° |
NAB | CAF | CAK | 120.6° | 120.0° |
NAB | CAF | CAG | 120.7° | 119.9° |
CAK | CAF | CAG | 118.7° | 120.1° |
CAF | CAK | CAJ | 120.8° | 120.1° |
CAF | CAK | H9 | 119.6° | 119.9° |
CAF | CAG | CAH | 120.7° | 120.1° |
CAF | CAG | H11 | 119.7° | 120.0° |
CAK | CAJ | CAI | 120.6° | 119.9° |
CAJ | CAK | H9 | 119.6° | 120.0° |
CAK | CAJ | H10 | 119.7° | 120.0° |
CAG | CAH | CAI | 120.8° | 119.9° |
CAH | CAG | H11 | 119.7° | 119.9° |
CAG | CAH | H12 | 119.6° | 120.0° |
CAJ | CAI | CAH | 118.3° | 119.8° |
CAJ | CAI | CAL | 121.0° | 120.1° |
CAI | CAJ | H10 | 119.7° | 120.0° |
CAH | CAI | CAL | 120.4° | 120.1° |
CAI | CAH | H12 | 119.6° | 120.0° |
CAI | CAL | NAM | 119.4° | 118.5° |
CAI | CAL | NAV | 121.0° | 118.5° |
NAM | CAL | NAV | 119.4° | 123.0° |
CAL | NAM | CAN | 121.2° | 121.7° |
CAL | NAV | CAT | 121.3° | 120.4° |
CAL | NAV | H17 | 119.4° | 119.8° |
NAM | CAN | CAS | 118.0° | 121.5° |
NAM | CAN | CAO | 121.4° | 119.2° |
NAV | CAT | CAO | 117.6° | 117.5° |
NAV | CAT | OAU | 119.3° | 121.3° |
CAT | NAV | H17 | 119.3° | 119.8° |
CAS | CAN | CAO | 120.5° | 119.3° |
CAN | CAS | CAR | 119.7° | 119.7° |
CAN | CAS | H13 | 120.1° | 120.1° |
CAN | CAO | CAT | 119.0° | 118.2° |
CAN | CAO | CAP | 119.7° | 120.0° |
CAS | CAR | CAQ | 120.0° | 120.8° |
CAR | CAS | H13 | 120.2° | 120.1° |
CAS | CAR | H14 | 120.0° | 119.6° |
CAO | CAT | OAU | 123.1° | 121.2° |
CAT | CAO | CAP | 121.3° | 121.8° |
CAO | CAP | CAQ | 119.7° | 119.5° |
CAO | CAP | H16 | 120.2° | 120.3° |
CAR | CAQ | CAP | 120.4° | 120.6° |
CAQ | CAR | H14 | 120.0° | 119.6° |
CAR | CAQ | H15 | 119.8° | 119.7° |
CAP | CAQ | H15 | 119.8° | 119.7° |
CAQ | CAP | H16 | 120.1° | 120.2° |
H2 | CAD | H3 | 109.5° | 109.5° |
H4 | CAC | H5 | 109.4° | 109.4° |
H6 | CAA | H7 | 109.5° | 109.5° |
H6 | CAA | H8 | 109.4° | 109.4° |
H7 | CAA | H8 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAD | CAC | H2 | 118.8° | 120.0° |
OAE | CAD | CAC | H3 | 118.8° | 120.0° |
OAE | CAD | CAC | NAB | 51.3° | 65.0° |
OAE | CAD | H2 | H3 | 123.4° | 120.0° |
OAE | CAD | CAC | H4 | 170.1° | 175.0° |
OAE | CAD | CAC | H5 | 67.6° | 55.0° |
CAD | CAC | NAB | H4 | 118.9° | 120.0° |
CAD | CAC | NAB | H5 | 118.9° | 120.0° |
CAD | CAC | NAB | CAA | 78.1° | 90.0° |
CAD | CAC | NAB | CAF | 107.0° | 90.1° |
CAC | CAD | OAE | H1 | 180.0° | 180.0° |
CAC | CAD | H2 | H3 | 123.4° | 120.0° |
CAD | CAC | H4 | H5 | 123.3° | 120.0° |
CAC | NAB | CAA | CAF | 175.0° | 179.9° |
CAC | NAB | CAF | CAK | 40.1° | 180.0° |
CAC | NAB | CAF | CAG | 138.8° | 0.3° |
NAB | CAC | CAD | H2 | 67.5° | 55.0° |
NAB | CAC | CAD | H3 | 170.1° | 175.0° |
NAB | CAC | H4 | H5 | 123.3° | 120.0° |
CAC | NAB | CAA | H6 | 180.0° | 90.0° |
CAC | NAB | CAA | H7 | 60.0° | 150.0° |
CAC | NAB | CAA | H8 | 60.0° | 30.0° |
CAA | NAB | CAF | CAK | 144.9° | 0.1° |
CAA | NAB | CAF | CAG | 36.2° | 179.8° |
CAA | NAB | CAC | H4 | 163.1° | 150.0° |
CAA | NAB | CAC | H5 | 40.8° | 30.0° |
NAB | CAA | H6 | H7 | 120.0° | 120.0° |
NAB | CAA | H6 | H8 | 120.0° | 120.0° |
NAB | CAA | H7 | H8 | 120.0° | 120.1° |
NAB | CAF | CAK | CAG | 178.9° | 179.7° |
NAB | CAF | CAK | CAJ | 179.6° | 180.0° |
NAB | CAF | CAG | CAH | 179.7° | 179.9° |
CAF | NAB | CAC | H4 | 11.8° | 30.0° |
CAF | NAB | CAC | H5 | 134.1° | 150.0° |
CAF | NAB | CAA | H6 | 5.0° | 90.1° |
CAF | NAB | CAA | H7 | 115.1° | 29.9° |
CAF | NAB | CAA | H8 | 124.9° | 150.0° |
NAB | CAF | CAK | H9 | 0.4° | 0.2° |
NAB | CAF | CAG | H11 | 0.3° | 0.0° |
CAF | CAK | CAJ | H9 | 180.0° | 179.8° |
CAK | CAF | CAG | CAH | 0.7° | 0.3° |
CAF | CAK | CAJ | CAI | 1.8° | 0.1° |
CAF | CAK | CAJ | H10 | 178.2° | 179.9° |
CAK | CAF | CAG | H11 | 179.3° | 179.7° |
CAG | CAF | CAK | CAJ | 0.7° | 0.4° |
CAF | CAG | CAH | H11 | 180.0° | 180.0° |
CAF | CAG | CAH | CAI | 2.0° | 0.0° |
CAG | CAF | CAK | H9 | 179.3° | 179.8° |
CAF | CAG | CAH | H12 | 178.0° | 179.9° |
CAK | CAJ | CAI | H10 | 180.0° | 180.0° |
CAK | CAJ | CAI | CAH | 2.9° | 0.2° |
CAK | CAJ | CAI | CAL | 176.9° | 180.0° |
CAG | CAH | CAI | CAJ | 3.0° | 0.3° |
CAG | CAH | CAI | H12 | 180.0° | 180.0° |
CAG | CAH | CAI | CAL | 177.0° | 180.0° |
CAJ | CAI | CAH | CAL | 174.0° | 179.8° |
CAJ | CAI | CAL | NAM | 17.0° | 0.1° |
CAJ | CAI | CAL | NAV | 168.7° | 179.7° |
CAI | CAJ | CAK | H9 | 178.2° | 179.9° |
CAJ | CAI | CAH | H12 | 177.0° | 179.7° |
CAH | CAI | CAL | NAM | 156.9° | 179.7° |
CAH | CAI | CAL | NAV | 17.5° | 0.0° |
CAH | CAI | CAJ | H10 | 177.0° | 179.8° |
CAI | CAH | CAG | H11 | 178.0° | 180.0° |
CAI | CAL | NAM | NAV | 174.4° | 179.7° |
CAI | CAL | NAM | CAN | 177.5° | 180.0° |
CAI | CAL | NAV | CAT | 177.2° | 179.8° |
CAL | CAI | CAJ | H10 | 3.1° | 0.0° |
CAL | CAI | CAH | H12 | 3.0° | 0.1° |
CAI | CAL | NAV | H17 | 2.8° | 0.1° |
NAM | CAL | NAV | CAT | 2.9° | 0.6° |
CAL | NAM | CAN | CAS | 179.0° | 180.0° |
CAL | NAM | CAN | CAO | 3.1° | 0.1° |
NAM | CAL | NAV | H17 | 177.1° | 179.8° |
NAV | CAL | NAM | CAN | 3.1° | 0.3° |
CAL | NAV | CAT | H17 | 180.0° | 179.6° |
CAL | NAV | CAT | CAO | 2.5° | 0.5° |
CAL | NAV | CAT | OAU | 178.5° | 179.7° |
NAM | CAN | CAS | CAO | 177.9° | 180.0° |
NAM | CAN | CAS | CAR | 179.0° | 180.0° |
NAM | CAN | CAO | CAT | 2.8° | 0.0° |
NAM | CAN | CAO | CAP | 179.3° | 179.9° |
NAM | CAN | CAS | H13 | 1.0° | 0.1° |
NAV | CAT | CAO | CAN | 2.4° | 0.2° |
NAV | CAT | CAO | OAU | 178.9° | 179.7° |
NAV | CAT | CAO | CAP | 179.7° | 179.7° |
CAN | CAS | CAR | H13 | 180.0° | 180.0° |
CAS | CAN | CAO | CAT | 179.4° | 180.0° |
CAS | CAN | CAO | CAP | 1.5° | 0.0° |
CAN | CAS | CAR | CAQ | 0.5° | 0.0° |
CAN | CAS | CAR | H14 | 179.5° | 180.0° |
CAO | CAN | CAS | CAR | 1.1° | 0.0° |
CAN | CAO | CAT | CAP | 177.9° | 180.0° |
CAN | CAO | CAT | OAU | 178.7° | 180.0° |
CAN | CAO | CAP | CAQ | 1.3° | 0.0° |
CAO | CAN | CAS | H13 | 178.9° | 180.0° |
CAN | CAO | CAP | H16 | 178.7° | 180.0° |
CAS | CAR | CAQ | H14 | 180.0° | 180.0° |
CAS | CAR | CAQ | CAP | 0.3° | 0.0° |
CAS | CAR | CAQ | H15 | 179.7° | 180.0° |
CAT | CAO | CAP | CAQ | 179.1° | 180.0° |
CAT | CAO | CAP | H16 | 0.8° | 0.1° |
CAO | CAT | NAV | H17 | 177.5° | 179.8° |
OAU | CAT | CAO | CAP | 0.8° | 0.0° |
OAU | CAT | NAV | H17 | 1.5° | 0.1° |
CAO | CAP | CAQ | CAR | 0.7° | 0.1° |
CAO | CAP | CAQ | H16 | 180.0° | 179.9° |
CAO | CAP | CAQ | H15 | 179.3° | 180.0° |
CAR | CAQ | CAP | H15 | 180.0° | 180.0° |
CAQ | CAR | CAS | H13 | 179.5° | 180.0° |
CAR | CAQ | CAP | H16 | 179.3° | 180.0° |
CAP | CAQ | CAR | H14 | 179.6° | 180.0° |
H1 | OAE | CAD | H2 | 61.2° | 60.0° |
H1 | OAE | CAD | H3 | 61.2° | 60.0° |
H2 | CAD | CAC | H4 | 51.3° | 65.0° |
H2 | CAD | CAC | H5 | 173.6° | 175.0° |
H3 | CAD | CAC | H4 | 71.1° | 55.0° |
H3 | CAD | CAC | H5 | 51.2° | 65.0° |
H6 | CAA | H7 | H8 | 120.0° | 120.0° |
H9 | CAK | CAJ | H10 | 1.8° | 0.1° |
H11 | CAG | CAH | H12 | 2.0° | 0.0° |
H13 | CAS | CAR | H14 | 0.6° | 0.0° |
H14 | CAR | CAQ | H15 | 0.4° | 0.0° |
H15 | CAQ | CAP | H16 | 0.7° | 0.1° |