0SZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | CAP | doub | 1.21Å | 1.29Å | |
OAA | CAP | sing | 1.35Å | 1.28Å | |
CAP | CAQ | sing | 1.48Å | 1.43Å | |
CAQ | CAL | doub | 1.40Å | 1.40Å | Aromatic |
CAQ | CAH | sing | 1.40Å | 1.42Å | Aromatic |
OAB | SAV | doub | 1.42Å | 1.45Å | |
CAL | CAT | sing | 1.38Å | 1.38Å | Aromatic |
CAH | CAG | doub | 1.38Å | 1.41Å | Aromatic |
CAT | SAV | sing | 1.76Å | 1.66Å | |
CAT | CAK | doub | 1.38Å | 1.40Å | Aromatic |
SAV | OAC | doub | 1.42Å | 1.44Å | |
SAV | NAU | sing | 1.66Å | 1.62Å | |
CAG | CAK | sing | 1.38Å | 1.40Å | Aromatic |
NAU | CAN | sing | 1.47Å | 1.49Å | |
NAU | CAO | sing | 1.47Å | 1.51Å | |
CAN | CAM | sing | 1.53Å | 1.51Å | |
CAO | CAS | sing | 1.50Å | 1.46Å | |
CAM | CAR | sing | 1.51Å | 1.44Å | |
CAS | CAR | doub | 1.38Å | 1.38Å | Aromatic |
CAS | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
CAR | CAI | sing | 1.39Å | 1.41Å | Aromatic |
CAJ | CAF | doub | 1.38Å | 1.37Å | Aromatic |
CAI | CAE | doub | 1.38Å | 1.38Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
OAA | H1 | sing | 0.97Å | 0.95Å | |
CAL | H2 | sing | 1.08Å | 1.08Å | |
CAH | H3 | sing | 1.08Å | 1.08Å | |
CAG | H4 | sing | 1.08Å | 1.08Å | |
CAK | H5 | sing | 1.08Å | 1.08Å | |
CAN | H6 | sing | 1.09Å | 1.10Å | |
CAN | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.09Å | 1.10Å | |
CAM | H9 | sing | 1.09Å | 1.10Å | |
CAI | H10 | sing | 1.08Å | 1.08Å | |
CAE | H11 | sing | 1.08Å | 1.08Å | |
CAF | H12 | sing | 1.08Å | 1.08Å | |
CAJ | H13 | sing | 1.08Å | 1.08Å | |
CAO | H14 | sing | 1.09Å | 1.10Å | |
CAO | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | CAP | OAA | 115.1° | 120.0° |
OAD | CAP | CAQ | 119.7° | 120.0° |
OAA | CAP | CAQ | 122.8° | 120.0° |
CAP | OAA | H1 | 109.5° | 117.0° |
CAP | CAQ | CAL | 121.4° | 120.2° |
CAP | CAQ | CAH | 120.7° | 120.1° |
CAL | CAQ | CAH | 117.4° | 119.7° |
CAQ | CAL | CAT | 122.8° | 119.9° |
CAQ | CAL | H2 | 118.6° | 120.0° |
CAQ | CAH | CAG | 121.0° | 119.8° |
CAQ | CAH | H3 | 119.5° | 120.1° |
OAB | SAV | CAT | 108.4° | 106.4° |
OAB | SAV | OAC | 125.1° | 123.2° |
OAB | SAV | NAU | 101.3° | 106.4° |
CAL | CAT | SAV | 120.2° | 119.9° |
CAL | CAT | CAK | 119.2° | 120.1° |
CAT | CAL | H2 | 118.6° | 120.1° |
CAH | CAG | CAK | 119.1° | 120.2° |
CAG | CAH | H3 | 119.5° | 120.1° |
CAH | CAG | H4 | 120.5° | 119.9° |
SAV | CAT | CAK | 120.4° | 119.9° |
CAT | SAV | OAC | 108.9° | 106.4° |
CAT | SAV | NAU | 111.3° | 107.2° |
CAT | CAK | CAG | 120.5° | 120.3° |
CAT | CAK | H5 | 119.8° | 119.8° |
OAC | SAV | NAU | 100.9° | 106.4° |
SAV | NAU | CAN | 115.0° | 121.3° |
SAV | NAU | CAO | 120.7° | 121.4° |
CAK | CAG | H4 | 120.5° | 120.0° |
CAG | CAK | H5 | 119.8° | 119.9° |
CAN | NAU | CAO | 103.6° | 117.3° |
NAU | CAN | CAM | 107.4° | 107.9° |
NAU | CAN | H6 | 110.0° | 109.8° |
NAU | CAN | H7 | 110.0° | 109.8° |
NAU | CAO | CAS | 112.4° | 109.9° |
NAU | CAO | H14 | 108.7° | 109.5° |
NAU | CAO | H15 | 108.7° | 109.4° |
CAN | CAM | CAR | 111.8° | 110.9° |
CAM | CAN | H6 | 110.0° | 109.7° |
CAM | CAN | H7 | 110.0° | 109.8° |
CAN | CAM | H8 | 108.9° | 109.2° |
CAN | CAM | H9 | 108.9° | 109.2° |
CAO | CAS | CAR | 122.2° | 122.3° |
CAO | CAS | CAJ | 120.8° | 117.8° |
CAS | CAO | H14 | 108.7° | 109.4° |
CAS | CAO | H15 | 108.7° | 109.2° |
CAM | CAR | CAS | 120.0° | 122.8° |
CAM | CAR | CAI | 119.3° | 117.6° |
CAR | CAM | H8 | 108.9° | 109.2° |
CAR | CAM | H9 | 108.9° | 109.2° |
CAR | CAS | CAJ | 117.0° | 119.8° |
CAS | CAR | CAI | 120.7° | 119.5° |
CAS | CAJ | CAF | 122.0° | 120.5° |
CAS | CAJ | H13 | 119.0° | 119.8° |
CAR | CAI | CAE | 121.4° | 120.6° |
CAR | CAI | H10 | 119.3° | 119.7° |
CAJ | CAF | CAE | 120.8° | 119.7° |
CAJ | CAF | H12 | 119.6° | 120.1° |
CAF | CAJ | H13 | 119.0° | 119.8° |
CAI | CAE | CAF | 118.0° | 119.9° |
CAE | CAI | H10 | 119.3° | 119.7° |
CAI | CAE | H11 | 121.0° | 120.1° |
CAF | CAE | H11 | 121.0° | 120.1° |
CAE | CAF | H12 | 119.6° | 120.2° |
H6 | CAN | H7 | 109.5° | 109.8° |
H8 | CAM | H9 | 109.5° | 109.1° |
H14 | CAO | H15 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | CAP | OAA | CAQ | 162.5° | 180.0° |
OAD | CAP | CAQ | CAL | 20.9° | 0.0° |
OAD | CAP | CAQ | CAH | 151.0° | 179.7° |
OAD | CAP | OAA | H1 | 0.0° | 0.0° |
OAA | CAP | CAQ | CAL | 177.4° | 180.0° |
OAA | CAP | CAQ | CAH | 10.7° | 0.3° |
CAP | CAQ | CAL | CAH | 172.1° | 179.7° |
CAP | CAQ | CAL | CAT | 174.2° | 179.9° |
CAP | CAQ | CAH | CAG | 173.0° | 180.0° |
CAQ | CAP | OAA | H1 | 162.4° | 180.0° |
CAP | CAQ | CAL | H2 | 5.8° | 0.0° |
CAP | CAQ | CAH | H3 | 6.9° | 0.0° |
CAQ | CAL | CAT | H2 | 180.0° | 179.9° |
CAL | CAQ | CAH | CAG | 0.9° | 0.3° |
CAQ | CAL | CAT | SAV | 177.4° | 180.0° |
CAQ | CAL | CAT | CAK | 2.4° | 0.1° |
CAL | CAQ | CAH | H3 | 179.1° | 179.7° |
CAH | CAQ | CAL | CAT | 2.1° | 0.2° |
CAQ | CAH | CAG | H3 | 180.0° | 180.0° |
CAQ | CAH | CAG | CAK | 0.0° | 0.0° |
CAH | CAQ | CAL | H2 | 177.9° | 179.7° |
CAQ | CAH | CAG | H4 | 180.0° | 180.0° |
OAB | SAV | CAT | CAL | 13.6° | 156.4° |
OAB | SAV | CAT | OAC | 139.0° | 132.9° |
OAB | SAV | CAT | NAU | 110.6° | 113.5° |
OAB | SAV | CAT | CAK | 161.4° | 23.5° |
OAB | SAV | OAC | NAU | 112.4° | 122.9° |
OAB | SAV | NAU | CAN | 60.1° | 23.6° |
OAB | SAV | NAU | CAO | 174.5° | 156.2° |
CAL | CAT | SAV | CAK | 174.9° | 179.9° |
CAL | CAT | SAV | OAC | 152.6° | 23.5° |
CAL | CAT | SAV | NAU | 97.0° | 90.0° |
CAL | CAT | CAK | CAG | 1.4° | 0.4° |
CAL | CAT | CAK | H5 | 178.6° | 180.0° |
CAH | CAG | CAK | CAT | 0.3° | 0.3° |
CAH | CAG | CAK | H4 | 180.0° | 180.0° |
CAH | CAG | CAK | H5 | 179.8° | 180.0° |
CAT | SAV | OAC | NAU | 117.2° | 114.1° |
SAV | CAT | CAK | CAG | 176.4° | 179.8° |
CAT | SAV | NAU | CAN | 54.9° | 90.0° |
CAT | SAV | NAU | CAO | 70.4° | 90.3° |
SAV | CAT | CAL | H2 | 2.6° | 0.1° |
SAV | CAT | CAK | H5 | 3.6° | 0.1° |
CAK | CAT | SAV | OAC | 22.4° | 156.4° |
CAK | CAT | SAV | NAU | 88.0° | 90.1° |
CAT | CAK | CAG | H5 | 180.0° | 179.7° |
CAK | CAT | CAL | H2 | 177.6° | 180.0° |
CAT | CAK | CAG | H4 | 179.8° | 179.7° |
OAC | SAV | NAU | CAN | 170.3° | 156.5° |
OAC | SAV | NAU | CAO | 45.0° | 23.2° |
SAV | NAU | CAN | CAO | 133.8° | 179.7° |
SAV | NAU | CAN | CAM | 153.2° | 115.8° |
SAV | NAU | CAO | CAS | 176.3° | 135.7° |
SAV | NAU | CAN | H6 | 33.5° | 124.7° |
SAV | NAU | CAN | H7 | 87.1° | 3.8° |
SAV | NAU | CAO | H14 | 63.3° | 15.5° |
SAV | NAU | CAO | H15 | 55.8° | 104.3° |
CAK | CAG | CAH | H3 | 180.0° | 180.0° |
NAU | CAN | CAM | H6 | 119.7° | 119.6° |
NAU | CAN | CAM | H7 | 119.7° | 119.7° |
CAN | NAU | CAO | CAS | 53.3° | 44.0° |
NAU | CAN | CAM | CAR | 56.6° | 47.5° |
NAU | CAN | H6 | H7 | 121.0° | 120.8° |
NAU | CAN | CAM | H8 | 63.7° | 167.8° |
NAU | CAN | CAM | H9 | 177.0° | 72.9° |
CAN | NAU | CAO | H14 | 67.1° | 164.2° |
CAN | NAU | CAO | H15 | 173.7° | 76.0° |
CAO | NAU | CAN | CAM | 73.0° | 63.9° |
NAU | CAO | CAS | H14 | 120.4° | 120.2° |
NAU | CAO | CAS | H15 | 120.4° | 120.1° |
NAU | CAO | CAS | CAR | 18.4° | 11.1° |
NAU | CAO | CAS | CAJ | 163.6° | 169.3° |
CAO | NAU | CAN | H6 | 167.3° | 55.6° |
CAO | NAU | CAN | H7 | 46.7° | 176.4° |
NAU | CAO | H14 | H15 | 118.7° | 119.9° |
CAN | CAM | CAR | H8 | 120.3° | 120.4° |
CAN | CAM | CAR | H9 | 120.3° | 120.3° |
CAN | CAM | CAR | CAS | 18.9° | 20.1° |
CAN | CAM | CAR | CAI | 162.5° | 160.0° |
CAM | CAN | H6 | H7 | 120.9° | 120.7° |
CAN | CAM | H8 | H9 | 118.9° | 119.3° |
CAO | CAS | CAR | CAM | 0.1° | 1.2° |
CAO | CAS | CAR | CAJ | 178.1° | 179.6° |
CAO | CAS | CAR | CAI | 178.5° | 178.9° |
CAO | CAS | CAJ | CAF | 179.4° | 179.1° |
CAO | CAS | CAJ | H13 | 0.6° | 0.8° |
CAS | CAO | H14 | H15 | 118.7° | 119.6° |
CAM | CAR | CAS | CAI | 178.6° | 179.9° |
CAM | CAR | CAS | CAJ | 178.0° | 179.2° |
CAM | CAR | CAI | CAE | 178.3° | 179.5° |
CAR | CAM | CAN | H6 | 176.3° | 72.1° |
CAR | CAM | CAN | H7 | 63.1° | 167.1° |
CAR | CAM | H8 | H9 | 119.0° | 119.3° |
CAM | CAR | CAI | H10 | 1.7° | 0.5° |
CAR | CAS | CAJ | CAF | 2.5° | 0.6° |
CAS | CAR | CAI | CAE | 3.1° | 0.3° |
CAS | CAR | CAM | H8 | 101.4° | 140.5° |
CAS | CAR | CAM | H9 | 139.2° | 100.2° |
CAS | CAR | CAI | H10 | 176.9° | 179.6° |
CAR | CAS | CAJ | H13 | 177.5° | 179.5° |
CAR | CAS | CAO | H14 | 102.0° | 131.4° |
CAR | CAS | CAO | H15 | 138.8° | 109.0° |
CAJ | CAS | CAR | CAI | 3.4° | 0.7° |
CAS | CAJ | CAF | H13 | 180.0° | 179.9° |
CAS | CAJ | CAF | CAE | 1.2° | 0.1° |
CAS | CAJ | CAF | H12 | 178.8° | 179.9° |
CAJ | CAS | CAO | H14 | 76.0° | 49.0° |
CAJ | CAS | CAO | H15 | 43.1° | 70.7° |
CAR | CAI | CAE | H10 | 180.0° | 179.9° |
CAR | CAI | CAE | CAF | 1.7° | 0.1° |
CAI | CAR | CAM | H8 | 77.2° | 39.6° |
CAI | CAR | CAM | H9 | 42.2° | 79.7° |
CAR | CAI | CAE | H11 | 178.3° | 179.9° |
CAJ | CAF | CAE | CAI | 0.7° | 0.2° |
CAJ | CAF | CAE | H12 | 180.0° | 180.0° |
CAJ | CAF | CAE | H11 | 179.3° | 179.8° |
CAI | CAE | CAF | H11 | 180.0° | 179.9° |
CAI | CAE | CAF | H12 | 179.3° | 179.7° |
CAF | CAE | CAI | H10 | 178.3° | 180.0° |
CAE | CAF | CAJ | H13 | 178.8° | 180.0° |
H3 | CAH | CAG | H4 | 0.0° | 0.0° |
H4 | CAG | CAK | H5 | 0.2° | 0.0° |
H6 | CAN | CAM | H8 | 56.0° | 48.2° |
H6 | CAN | CAM | H9 | 63.4° | 167.5° |
H7 | CAN | CAM | H8 | 176.6° | 72.5° |
H7 | CAN | CAM | H9 | 57.3° | 46.8° |
H10 | CAI | CAE | H11 | 1.7° | 0.0° |
H11 | CAE | CAF | H12 | 0.7° | 0.2° |
H12 | CAF | CAJ | H13 | 1.2° | 0.0° |