9CB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAD | sing | 1.43Å | 1.39Å | |
CAD | CAC | sing | 1.53Å | 1.51Å | |
CAC | NAB | sing | 1.47Å | 1.47Å | |
CAA | NAB | sing | 1.46Å | 1.48Å | |
NAB | CAF | sing | 1.39Å | 1.36Å | |
CAF | CAG | doub | 1.39Å | 1.38Å | Aromatic |
CAF | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAH | CAI | doub | 1.40Å | 1.38Å | Aromatic |
CAJ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
CAI | CAL | sing | 1.48Å | 1.40Å | |
CAL | NAM | doub | 1.31Å | 1.35Å | |
CAL | NAW | sing | 1.37Å | 1.39Å | |
NAM | CAN | sing | 1.35Å | 1.36Å | |
NAW | CAU | sing | 1.35Å | 1.39Å | |
CAN | CAT | doub | 1.40Å | 1.40Å | Aromatic |
CAN | CAO | sing | 1.41Å | 1.40Å | Aromatic |
CAT | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAU | CAO | sing | 1.47Å | 1.41Å | |
CAU | OAV | doub | 1.22Å | 1.25Å | |
CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
CAR | CL | sing | 1.74Å | 1.71Å | |
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 | |
CAT | H13 | sing | 1.08Å | 1.08Å | |
CAQ | H14 | sing | 1.08Å | 1.08Å | |
CAP | H15 | sing | 1.08Å | 1.08Å | |
NAW | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAD | CAC | 105.4° | 109.5° |
CAD | OAE | H1 | 109.5° | 114.0° |
OAE | CAD | H2 | 110.5° | 109.5° |
OAE | CAD | H3 | 110.5° | 109.5° |
CAD | CAC | NAB | 97.6° | 109.5° |
CAC | CAD | H2 | 110.5° | 109.4° |
CAC | CAD | H3 | 110.5° | 109.4° |
CAD | CAC | H4 | 112.3° | 109.6° |
CAD | CAC | H5 | 112.3° | 109.5° |
CAC | NAB | CAA | 119.1° | 120.0° |
CAC | NAB | CAF | 122.6° | 120.0° |
NAB | CAC | H4 | 112.3° | 109.5° |
NAB | CAC | H5 | 112.3° | 109.4° |
CAA | NAB | CAF | 118.3° | 120.0° |
NAB | CAA | H6 | 109.5° | 109.5° |
NAB | CAA | H7 | 109.4° | 109.5° |
NAB | CAA | H8 | 109.5° | 109.5° |
NAB | CAF | CAG | 120.6° | 119.9° |
NAB | CAF | CAK | 122.9° | 120.0° |
CAG | CAF | CAK | 116.5° | 120.1° |
CAF | CAG | CAH | 122.1° | 120.0° |
CAF | CAG | H11 | 119.0° | 119.9° |
CAF | CAK | CAJ | 122.0° | 120.1° |
CAF | CAK | H9 | 119.0° | 120.0° |
CAG | CAH | CAI | 121.7° | 120.0° |
CAH | CAG | H11 | 119.0° | 120.0° |
CAG | CAH | H12 | 119.1° | 120.0° |
CAK | CAJ | CAI | 120.9° | 119.9° |
CAJ | CAK | H9 | 119.0° | 119.9° |
CAK | CAJ | H10 | 119.6° | 120.0° |
CAH | CAI | CAJ | 116.7° | 119.9° |
CAH | CAI | CAL | 120.8° | 120.1° |
CAI | CAH | H12 | 119.2° | 120.0° |
CAJ | CAI | CAL | 122.1° | 120.0° |
CAI | CAJ | H10 | 119.5° | 120.1° |
CAI | CAL | NAM | 121.1° | 118.5° |
CAI | CAL | NAW | 119.8° | 118.5° |
NAM | CAL | NAW | 119.0° | 123.0° |
CAL | NAM | CAN | 121.1° | 121.7° |
CAL | NAW | CAU | 122.7° | 120.4° |
CAL | NAW | H16 | 118.6° | 119.8° |
NAM | CAN | CAT | 119.5° | 121.5° |
NAM | CAN | CAO | 121.1° | 119.2° |
NAW | CAU | CAO | 116.8° | 117.5° |
NAW | CAU | OAV | 118.7° | 121.2° |
CAU | NAW | H16 | 118.7° | 119.8° |
CAT | CAN | CAO | 119.4° | 119.3° |
CAN | CAT | CAR | 120.2° | 119.7° |
CAN | CAT | H13 | 119.9° | 120.1° |
CAN | CAO | CAU | 119.2° | 118.2° |
CAN | CAO | CAP | 119.4° | 120.1° |
CAT | CAR | CL | 120.6° | 119.6° |
CAT | CAR | CAQ | 120.5° | 120.8° |
CAR | CAT | H13 | 119.9° | 120.2° |
CAO | CAU | OAV | 124.5° | 121.2° |
CAU | CAO | CAP | 121.3° | 121.8° |
CAO | CAP | CAQ | 120.9° | 119.6° |
CAO | CAP | H15 | 119.6° | 120.3° |
CL | CAR | CAQ | 118.9° | 119.6° |
CAR | CAQ | CAP | 119.6° | 120.5° |
CAR | CAQ | H14 | 120.2° | 119.7° |
CAP | CAQ | H14 | 120.2° | 119.8° |
CAQ | CAP | H15 | 119.6° | 120.2° |
H2 | CAD | H3 | 109.5° | 109.5° |
H4 | CAC | H5 | 109.5° | 109.4° |
H6 | CAA | H7 | 109.4° | 109.4° |
H6 | CAA | H8 | 109.5° | 109.5° |
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 | 119.4° | 120.0° |
OAE | CAD | CAC | H3 | 119.4° | 120.1° |
OAE | CAD | CAC | NAB | 160.8° | 65.0° |
OAE | CAD | H2 | H3 | 121.9° | 120.1° |
OAE | CAD | CAC | H4 | 42.8° | 175.0° |
OAE | CAD | CAC | H5 | 81.2° | 55.0° |
CAD | CAC | NAB | H4 | 118.0° | 120.1° |
CAD | CAC | NAB | H5 | 118.0° | 120.0° |
CAD | CAC | NAB | CAA | 71.0° | 90.0° |
CAD | CAC | NAB | CAF | 107.6° | 90.0° |
CAC | CAD | OAE | H1 | 180.0° | 180.0° |
CAC | CAD | H2 | H3 | 121.9° | 119.9° |
CAD | CAC | H4 | H5 | 125.5° | 120.1° |
CAC | NAB | CAA | CAF | 178.6° | 180.0° |
CAC | NAB | CAF | CAG | 19.7° | 180.0° |
CAC | NAB | CAF | CAK | 161.3° | 0.3° |
NAB | CAC | CAD | H2 | 79.8° | 55.1° |
NAB | CAC | CAD | H3 | 41.4° | 175.0° |
NAB | CAC | H4 | H5 | 125.5° | 119.9° |
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 | CAG | 161.7° | 0.0° |
CAA | NAB | CAF | CAK | 17.3° | 179.7° |
CAA | NAB | CAC | H4 | 47.0° | 149.9° |
CAA | NAB | CAC | H5 | 171.0° | 30.0° |
NAB | CAA | H6 | H7 | 120.0° | 120.0° |
NAB | CAA | H6 | H8 | 120.0° | 120.0° |
NAB | CAA | H7 | H8 | 120.0° | 120.0° |
NAB | CAF | CAG | CAK | 179.1° | 179.8° |
NAB | CAF | CAG | CAH | 179.4° | 180.0° |
NAB | CAF | CAK | CAJ | 179.5° | 180.0° |
CAF | NAB | CAC | H4 | 134.4° | 30.1° |
CAF | NAB | CAC | H5 | 10.4° | 150.0° |
CAF | NAB | CAA | H6 | 1.3° | 90.0° |
CAF | NAB | CAA | H7 | 118.6° | 30.0° |
CAF | NAB | CAA | H8 | 121.3° | 150.0° |
NAB | CAF | CAK | H9 | 0.5° | 0.0° |
NAB | CAF | CAG | H11 | 0.5° | 0.1° |
CAF | CAG | CAH | H11 | 180.0° | 179.9° |
CAG | CAF | CAK | CAJ | 0.4° | 0.2° |
CAF | CAG | CAH | CAI | 1.2° | 0.1° |
CAG | CAF | CAK | H9 | 179.6° | 179.8° |
CAF | CAG | CAH | H12 | 178.8° | 180.0° |
CAK | CAF | CAG | CAH | 0.4° | 0.2° |
CAF | CAK | CAJ | H9 | 180.0° | 180.0° |
CAF | CAK | CAJ | CAI | 1.1° | 0.0° |
CAF | CAK | CAJ | H10 | 178.9° | 180.0° |
CAK | CAF | CAG | H11 | 179.6° | 179.7° |
CAG | CAH | CAI | H12 | 180.0° | 179.9° |
CAG | CAH | CAI | CAJ | 2.7° | 0.3° |
CAG | CAH | CAI | CAL | 175.8° | 180.0° |
CAK | CAJ | CAI | CAH | 2.6° | 0.3° |
CAK | CAJ | CAI | H10 | 180.0° | 179.9° |
CAK | CAJ | CAI | CAL | 175.6° | 180.0° |
CAH | CAI | CAJ | CAL | 173.0° | 179.7° |
CAH | CAI | CAL | NAM | 15.5° | 179.7° |
CAH | CAI | CAL | NAW | 169.5° | 0.0° |
CAH | CAI | CAJ | H10 | 177.4° | 179.8° |
CAI | CAH | CAG | H11 | 178.8° | 180.0° |
CAJ | CAI | CAL | NAM | 157.3° | 0.0° |
CAJ | CAI | CAL | NAW | 17.7° | 179.7° |
CAI | CAJ | CAK | H9 | 178.9° | 180.0° |
CAJ | CAI | CAH | H12 | 177.3° | 179.7° |
CAI | CAL | NAM | NAW | 175.0° | 179.8° |
CAI | CAL | NAM | CAN | 176.5° | 179.9° |
CAI | CAL | NAW | CAU | 176.1° | 179.7° |
CAL | CAI | CAJ | H10 | 4.4° | 0.1° |
CAL | CAI | CAH | H12 | 4.2° | 0.0° |
CAI | CAL | NAW | H16 | 3.9° | 0.0° |
NAM | CAL | NAW | CAU | 1.1° | 0.6° |
CAL | NAM | CAN | CAT | 179.0° | 180.0° |
CAL | NAM | CAN | CAO | 2.0° | 0.1° |
NAM | CAL | NAW | H16 | 179.0° | 179.7° |
NAW | CAL | NAM | CAN | 1.5° | 0.3° |
CAL | NAW | CAU | H16 | 180.0° | 179.7° |
CAL | NAW | CAU | CAO | 1.1° | 0.5° |
CAL | NAW | CAU | OAV | 178.9° | 179.8° |
NAM | CAN | CAT | CAO | 179.1° | 179.9° |
NAM | CAN | CAT | CAR | 179.3° | 179.9° |
NAM | CAN | CAO | CAU | 2.0° | 0.1° |
NAM | CAN | CAO | CAP | 179.0° | 180.0° |
NAM | CAN | CAT | H13 | 0.7° | 0.0° |
NAW | CAU | CAO | CAN | 1.6° | 0.3° |
NAW | CAU | CAO | OAV | 180.0° | 179.7° |
NAW | CAU | CAO | CAP | 179.5° | 179.7° |
CAN | CAT | CAR | H13 | 180.0° | 180.0° |
CAT | CAN | CAO | CAU | 178.9° | 180.0° |
CAT | CAN | CAO | CAP | 0.0° | 0.1° |
CAN | CAT | CAR | CL | 179.1° | 180.0° |
CAN | CAT | CAR | CAQ | 0.3° | 0.0° |
CAO | CAN | CAT | CAR | 0.2° | 0.0° |
CAN | CAO | CAU | CAP | 178.9° | 180.0° |
CAN | CAO | CAU | OAV | 178.5° | 180.0° |
CAN | CAO | CAP | CAQ | 0.2° | 0.1° |
CAO | CAN | CAT | H13 | 179.8° | 179.9° |
CAN | CAO | CAP | H15 | 179.9° | 180.0° |
CAT | CAR | CL | CAQ | 179.4° | 180.0° |
CAT | CAR | CAQ | CAP | 0.2° | 0.1° |
CAT | CAR | CAQ | H14 | 179.8° | 179.9° |
CAU | CAO | CAP | CAQ | 178.7° | 179.9° |
CAU | CAO | CAP | H15 | 1.2° | 0.1° |
CAO | CAU | NAW | H16 | 178.9° | 179.7° |
OAV | CAU | CAO | CAP | 0.4° | 0.0° |
OAV | CAU | NAW | H16 | 1.1° | 0.0° |
CAO | CAP | CAQ | CAR | 0.1° | 0.1° |
CAO | CAP | CAQ | H15 | 180.0° | 179.9° |
CAO | CAP | CAQ | H14 | 179.9° | 180.0° |
CL | CAR | CAQ | CAP | 179.2° | 179.9° |
CL | CAR | CAT | H13 | 0.9° | 0.1° |
CL | CAR | CAQ | H14 | 0.8° | 0.1° |
CAR | CAQ | CAP | H14 | 180.0° | 179.9° |
CAQ | CAR | CAT | H13 | 179.7° | 179.9° |
CAR | CAQ | CAP | H15 | 179.9° | 180.0° |
H1 | OAE | CAD | H2 | 60.6° | 60.0° |
H1 | OAE | CAD | H3 | 60.7° | 60.0° |
H2 | CAD | CAC | H4 | 162.1° | 65.0° |
H2 | CAD | CAC | H5 | 38.2° | 175.0° |
H3 | CAD | CAC | H4 | 76.6° | 54.9° |
H3 | CAD | CAC | H5 | 159.4° | 65.1° |
H6 | CAA | H7 | H8 | 120.0° | 120.0° |
H9 | CAK | CAJ | H10 | 1.1° | 0.0° |
H11 | CAG | CAH | H12 | 1.2° | 0.1° |
H14 | CAQ | CAP | H15 | 0.0° | 0.2° |