B5T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | SAB | doub | 1.42Å | 1.53Å | |
CAX | CAY | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAW | sing | 1.38Å | 1.39Å | Aromatic |
CAJ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAE | sing | 1.38Å | 1.40Å | Aromatic |
NAA | SAB | sing | 1.66Å | 1.62Å | |
CAY | CAT | sing | 1.40Å | 1.40Å | Aromatic |
CAW | NAV | doub | 1.32Å | 1.41Å | Aromatic |
CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
SAB | CAE | sing | 1.76Å | 1.76Å | |
SAB | OAC | doub | 1.42Å | 1.53Å | |
CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CAT | CAQ | sing | 1.48Å | 1.35Å | |
CAT | CAU | doub | 1.39Å | 1.40Å | Aromatic |
NAV | CAU | sing | 1.32Å | 1.41Å | Aromatic |
CAH | CAK | sing | 1.48Å | 1.40Å | |
CAH | CAG | doub | 1.39Å | 1.40Å | Aromatic |
CAS | CAK | doub | 1.39Å | 1.40Å | Aromatic |
CAS | CAR | sing | 1.39Å | 1.35Å | Aromatic |
CAK | CAL | sing | 1.40Å | 1.39Å | Aromatic |
CAQ | CAR | sing | 1.47Å | 1.34Å | Aromatic |
CAQ | CAP | doub | 1.35Å | 1.33Å | Aromatic |
CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
CAR | CAN | doub | 1.41Å | 1.35Å | Aromatic |
CAP | NAO | sing | 1.37Å | 1.33Å | Aromatic |
CAL | NAM | doub | 1.31Å | 1.40Å | Aromatic |
CAN | NAM | sing | 1.33Å | 1.35Å | Aromatic |
CAN | NAO | sing | 1.37Å | 1.33Å | Aromatic |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
NAA | H3 | sing | 0.97Å | 1.00Å | |
NAA | H4 | sing | 0.97Å | 1.00Å | |
CAJ | H5 | sing | 1.08Å | 1.08Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAS | H7 | sing | 1.08Å | 1.08Å | |
CAL | H8 | sing | 1.08Å | 1.08Å | |
NAO | H9 | sing | 0.97Å | 1.00Å | |
CAP | H10 | sing | 1.08Å | 1.08Å | |
CAY | H11 | sing | 1.08Å | 1.08Å | |
CAX | H12 | sing | 1.08Å | 1.08Å | |
CAW | H13 | sing | 1.08Å | 1.08Å | |
CAU | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | SAB | NAA | 109.8° | 106.4° |
OAD | SAB | CAE | 110.4° | 106.4° |
OAD | SAB | OAC | 108.8° | 123.1° |
CAY | CAX | CAW | 120.3° | 119.3° |
CAX | CAY | CAT | 121.2° | 118.3° |
CAX | CAY | H11 | 119.4° | 120.9° |
CAY | CAX | H12 | 119.9° | 120.3° |
CAX | CAW | NAV | 119.3° | 121.0° |
CAW | CAX | H12 | 119.8° | 120.4° |
CAX | CAW | H13 | 120.3° | 119.5° |
CAI | CAJ | CAE | 120.2° | 120.1° |
CAJ | CAI | CAH | 120.6° | 119.9° |
CAI | CAJ | H5 | 119.9° | 120.0° |
CAJ | CAI | H6 | 119.7° | 120.0° |
CAJ | CAE | SAB | 121.2° | 119.9° |
CAJ | CAE | CAF | 119.5° | 120.2° |
CAE | CAJ | H5 | 119.9° | 119.9° |
NAA | SAB | CAE | 109.4° | 107.2° |
NAA | SAB | OAC | 109.2° | 106.5° |
SAB | NAA | H3 | 109.5° | 120.0° |
SAB | NAA | H4 | 109.5° | 119.9° |
CAY | CAT | CAQ | 121.1° | 120.5° |
CAY | CAT | CAU | 118.6° | 118.9° |
CAT | CAY | H11 | 119.4° | 120.8° |
CAW | NAV | CAU | 120.2° | 121.9° |
NAV | CAW | H13 | 120.3° | 119.5° |
CAI | CAH | CAK | 120.5° | 120.1° |
CAI | CAH | CAG | 118.7° | 119.8° |
CAH | CAI | H6 | 119.7° | 120.1° |
CAE | SAB | OAC | 109.2° | 106.4° |
SAB | CAE | CAF | 119.3° | 119.9° |
CAE | CAF | CAG | 120.2° | 120.1° |
CAE | CAF | H2 | 119.9° | 119.9° |
CAQ | CAT | CAU | 120.3° | 120.6° |
CAT | CAQ | CAR | 128.2° | 126.7° |
CAT | CAQ | CAP | 122.6° | 126.7° |
CAT | CAU | NAV | 120.5° | 120.6° |
CAT | CAU | H14 | 119.7° | 119.7° |
NAV | CAU | H14 | 119.7° | 119.7° |
CAK | CAH | CAG | 120.8° | 120.1° |
CAH | CAK | CAS | 122.5° | 120.5° |
CAH | CAK | CAL | 119.8° | 120.4° |
CAH | CAG | CAF | 120.7° | 119.8° |
CAH | CAG | H1 | 119.6° | 120.1° |
CAK | CAS | CAR | 121.3° | 118.0° |
CAS | CAK | CAL | 117.7° | 119.1° |
CAK | CAS | H7 | 119.4° | 121.0° |
CAS | CAR | CAQ | 133.6° | 134.2° |
CAS | CAR | CAN | 120.4° | 119.7° |
CAR | CAS | H7 | 119.3° | 121.1° |
CAK | CAL | NAM | 119.2° | 121.4° |
CAK | CAL | H8 | 120.4° | 119.3° |
CAR | CAQ | CAP | 109.2° | 106.6° |
CAQ | CAR | CAN | 106.0° | 106.1° |
CAQ | CAP | NAO | 107.7° | 109.7° |
CAQ | CAP | H10 | 126.2° | 125.2° |
CAF | CAG | H1 | 119.7° | 120.1° |
CAG | CAF | H2 | 119.9° | 120.0° |
CAR | CAN | NAM | 121.3° | 120.0° |
CAR | CAN | NAO | 108.8° | 107.2° |
CAP | NAO | CAN | 108.3° | 110.4° |
CAP | NAO | H9 | 125.9° | 124.8° |
NAO | CAP | H10 | 126.1° | 125.1° |
CAL | NAM | CAN | 120.2° | 121.9° |
NAM | CAL | H8 | 120.4° | 119.3° |
NAM | CAN | NAO | 129.9° | 132.8° |
CAN | NAO | H9 | 125.9° | 124.8° |
H3 | NAA | H4 | 109.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | SAB | CAE | CAJ | 15.6° | 156.5° |
OAD | SAB | NAA | CAE | 121.3° | 113.5° |
OAD | SAB | NAA | OAC | 119.3° | 132.9° |
OAD | SAB | CAE | OAC | 119.6° | 132.9° |
OAD | SAB | CAE | CAF | 164.3° | 23.5° |
OAD | SAB | NAA | H3 | 180.0° | 113.6° |
OAD | SAB | NAA | H4 | 60.0° | 66.5° |
CAY | CAX | CAW | H12 | 180.0° | 179.9° |
CAX | CAY | CAT | H11 | 180.0° | 179.9° |
CAY | CAX | CAW | NAV | 0.1° | 0.0° |
CAX | CAY | CAT | CAQ | 179.1° | 179.9° |
CAX | CAY | CAT | CAU | 1.0° | 0.2° |
CAY | CAX | CAW | H13 | 179.9° | 179.9° |
CAW | CAX | CAY | CAT | 0.5° | 0.1° |
CAX | CAW | NAV | H13 | 180.0° | 180.0° |
CAX | CAW | NAV | CAU | 0.2° | 0.2° |
CAW | CAX | CAY | H11 | 179.5° | 180.0° |
CAI | CAJ | CAE | H5 | 180.0° | 179.7° |
CAJ | CAI | CAH | H6 | 180.0° | 179.7° |
CAI | CAJ | CAE | SAB | 180.0° | 180.0° |
CAI | CAJ | CAE | CAF | 0.0° | 0.1° |
CAJ | CAI | CAH | CAK | 179.7° | 180.0° |
CAJ | CAI | CAH | CAG | 0.7° | 0.5° |
CAJ | CAE | SAB | NAA | 105.3° | 90.0° |
CAE | CAJ | CAI | CAH | 0.4° | 0.3° |
CAJ | CAE | SAB | CAF | 179.9° | 179.9° |
CAJ | CAE | SAB | OAC | 135.2° | 23.6° |
CAJ | CAE | CAF | CAG | 0.1° | 0.0° |
CAJ | CAE | CAF | H2 | 179.9° | 179.9° |
CAE | CAJ | CAI | H6 | 179.6° | 180.0° |
NAA | SAB | CAE | OAC | 119.5° | 113.6° |
NAA | SAB | CAE | CAF | 74.8° | 90.0° |
SAB | NAA | H3 | H4 | 120.1° | 179.9° |
CAY | CAT | CAQ | CAU | 178.2° | 179.8° |
CAY | CAT | CAU | NAV | 0.9° | 0.4° |
CAY | CAT | CAQ | CAR | 48.4° | 130.3° |
CAY | CAT | CAQ | CAP | 130.7° | 49.9° |
CAT | CAY | CAX | H12 | 179.5° | 180.0° |
CAY | CAT | CAU | H14 | 179.1° | 179.7° |
CAW | NAV | CAU | CAT | 0.3° | 0.5° |
NAV | CAW | CAX | H12 | 179.9° | 180.0° |
CAW | NAV | CAU | H14 | 179.7° | 179.7° |
CAI | CAH | CAK | CAG | 179.0° | 179.5° |
CAI | CAH | CAK | CAS | 48.2° | 179.8° |
CAI | CAH | CAK | CAL | 131.4° | 0.0° |
CAI | CAH | CAG | CAF | 0.6° | 0.5° |
CAI | CAH | CAG | H1 | 179.4° | 179.7° |
CAH | CAI | CAJ | H5 | 179.6° | 180.0° |
SAB | CAE | CAF | CAG | 179.9° | 180.0° |
SAB | CAE | CAF | H2 | 0.2° | 0.0° |
CAE | SAB | NAA | H3 | 58.8° | 0.0° |
CAE | SAB | NAA | H4 | 61.3° | 179.9° |
SAB | CAE | CAJ | H5 | 0.0° | 0.3° |
OAC | SAB | CAE | CAF | 44.7° | 156.4° |
OAC | SAB | NAA | H3 | 60.7° | 113.5° |
OAC | SAB | NAA | H4 | 179.2° | 66.4° |
CAE | CAF | CAG | CAH | 0.2° | 0.3° |
CAE | CAF | CAG | H2 | 180.0° | 180.0° |
CAE | CAF | CAG | H1 | 179.8° | 180.0° |
CAF | CAE | CAJ | H5 | 180.0° | 179.7° |
CAQ | CAT | CAU | NAV | 179.1° | 179.8° |
CAT | CAQ | CAR | CAS | 0.6° | 0.2° |
CAT | CAQ | CAR | CAP | 179.2° | 179.9° |
CAT | CAQ | CAR | CAN | 179.4° | 179.9° |
CAT | CAQ | CAP | NAO | 179.6° | 179.9° |
CAT | CAQ | CAP | H10 | 0.4° | 0.2° |
CAQ | CAT | CAY | H11 | 0.8° | 0.0° |
CAQ | CAT | CAU | H14 | 0.9° | 0.0° |
CAT | CAU | NAV | H14 | 180.0° | 179.8° |
CAU | CAT | CAQ | CAR | 133.5° | 49.9° |
CAU | CAT | CAQ | CAP | 47.5° | 129.9° |
CAU | CAT | CAY | H11 | 179.0° | 179.8° |
CAU | NAV | CAW | H13 | 179.8° | 179.8° |
CAH | CAK | CAS | CAL | 179.7° | 179.7° |
CAH | CAK | CAS | CAR | 179.7° | 180.0° |
CAK | CAH | CAG | CAF | 179.6° | 180.0° |
CAH | CAK | CAL | NAM | 179.9° | 180.0° |
CAK | CAH | CAG | H1 | 0.4° | 0.2° |
CAK | CAH | CAI | H6 | 0.4° | 0.2° |
CAH | CAK | CAS | H7 | 0.3° | 0.0° |
CAH | CAK | CAL | H8 | 0.1° | 0.0° |
CAG | CAH | CAK | CAS | 132.8° | 0.2° |
CAG | CAH | CAK | CAL | 47.5° | 179.5° |
CAH | CAG | CAF | H1 | 180.0° | 179.8° |
CAH | CAG | CAF | H2 | 179.8° | 179.7° |
CAG | CAH | CAI | H6 | 179.3° | 179.8° |
CAK | CAS | CAR | H7 | 180.0° | 180.0° |
CAK | CAS | CAR | CAQ | 180.0° | 179.9° |
CAK | CAS | CAR | CAN | 0.1° | 0.0° |
CAS | CAK | CAL | NAM | 0.2° | 0.3° |
CAS | CAK | CAL | H8 | 179.8° | 179.8° |
CAR | CAS | CAK | CAL | 0.1° | 0.3° |
CAS | CAR | CAQ | CAN | 179.9° | 179.9° |
CAS | CAR | CAQ | CAP | 179.8° | 180.0° |
CAS | CAR | CAN | NAM | 0.0° | 0.3° |
CAS | CAR | CAN | NAO | 180.0° | 180.0° |
CAK | CAL | NAM | H8 | 180.0° | 179.9° |
CAK | CAL | NAM | CAN | 0.2° | 0.0° |
CAL | CAK | CAS | H7 | 179.9° | 179.7° |
CAR | CAQ | CAP | NAO | 0.4° | 0.1° |
CAQ | CAR | CAN | NAM | 180.0° | 179.7° |
CAQ | CAR | CAN | NAO | 0.1° | 0.0° |
CAQ | CAR | CAS | H7 | 0.0° | 0.1° |
CAR | CAQ | CAP | H10 | 179.6° | 179.9° |
CAP | CAQ | CAR | CAN | 0.3° | 0.1° |
CAQ | CAP | NAO | H10 | 180.0° | 179.8° |
CAQ | CAP | NAO | CAN | 0.3° | 0.1° |
CAQ | CAP | NAO | H9 | 179.7° | 180.0° |
CAR | CAN | NAO | CAP | 0.2° | 0.0° |
CAR | CAN | NAM | CAL | 0.1° | 0.3° |
CAR | CAN | NAM | NAO | 179.9° | 179.6° |
CAN | CAR | CAS | H7 | 179.9° | 180.0° |
CAR | CAN | NAO | H9 | 179.9° | 180.0° |
CAP | NAO | CAN | NAM | 179.8° | 179.7° |
CAP | NAO | CAN | H9 | 180.0° | 179.9° |
CAL | NAM | CAN | NAO | 179.8° | 179.9° |
CAN | NAM | CAL | H8 | 179.8° | 179.9° |
NAM | CAN | NAO | H9 | 0.2° | 0.4° |
CAN | NAO | CAP | H10 | 179.7° | 179.9° |
H1 | CAG | CAF | H2 | 0.2° | 0.0° |
H5 | CAJ | CAI | H6 | 0.4° | 0.3° |
H9 | NAO | CAP | H10 | 0.3° | 0.1° |
H11 | CAY | CAX | H12 | 0.5° | 0.1° |
H12 | CAX | CAW | H13 | 0.1° | 0.0° |