B6L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FBD | CAZ | sing | 1.40Å | 1.38Å | |
OBA | CAX | sing | 1.43Å | 1.41Å | |
FBB | CAZ | sing | 1.40Å | 1.37Å | |
OBL | CAI | doub | 1.21Å | 1.18Å | |
CAZ | CAX | sing | 1.53Å | 1.53Å | |
CAZ | FBC | sing | 1.40Å | 1.37Å | |
CAU | CAV | doub | 1.38Å | 1.38Å | Aromatic |
CAU | CAT | sing | 1.38Å | 1.37Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
CAP | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAV | CAQ | sing | 1.39Å | 1.36Å | Aromatic |
CAX | CAT | sing | 1.51Å | 1.53Å | |
CAX | CAY | sing | 1.53Å | 1.51Å | |
CAI | CAH | sing | 1.51Å | 1.53Å | |
CAI | NAJ | sing | 1.35Å | 1.44Å | |
CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
CAA | CAF | sing | 1.38Å | 1.38Å | Aromatic |
CAH | CAF | sing | 1.51Å | 1.51Å | |
CAQ | CAN | sing | 1.48Å | 1.52Å | |
CAQ | CAR | doub | 1.40Å | 1.38Å | Aromatic |
FBF | CAY | sing | 1.40Å | 1.35Å | |
CAN | CAM | doub | 1.39Å | 1.38Å | Aromatic |
CAK | NAJ | sing | 1.40Å | 1.45Å | |
CAK | CAL | doub | 1.39Å | 1.38Å | Aromatic |
CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
CAB | CAC | sing | 1.38Å | 1.38Å | Aromatic |
CAY | FBG | sing | 1.40Å | 1.37Å | |
CAY | FBE | sing | 1.40Å | 1.36Å | |
CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAR | FAW | sing | 1.35Å | 1.37Å | |
CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
CBJ | CBK | sing | 1.53Å | 1.53Å | |
CBJ | SAG | sing | 1.81Å | 1.81Å | |
CAC | SAG | sing | 1.76Å | 1.81Å | |
CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
OBI | SAG | doub | 1.42Å | 1.64Å | |
SAG | OBH | doub | 1.42Å | 1.64Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAB | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.09Å | 1.10Å | |
CAH | H6 | sing | 1.09Å | 1.10Å | |
CAL | H7 | sing | 1.08Å | 1.08Å | |
CAM | H8 | sing | 1.08Å | 1.08Å | |
CAO | H9 | sing | 1.08Å | 1.08Å | |
CAP | H10 | sing | 1.08Å | 1.08Å | |
CAS | H11 | sing | 1.08Å | 1.08Å | |
CAU | H12 | sing | 1.08Å | 1.08Å | |
CAV | H13 | sing | 1.08Å | 1.08Å | |
CBJ | H14 | sing | 1.09Å | 1.10Å | |
CBJ | H15 | sing | 1.09Å | 1.10Å | |
CBK | H16 | sing | 1.09Å | 1.10Å | |
CBK | H17 | sing | 1.09Å | 1.10Å | |
CBK | H18 | sing | 1.09Å | 1.10Å | |
NAJ | H19 | sing | 0.97Å | 1.00Å | |
OBA | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FBD | CAZ | FBB | 110.2° | 109.5° |
FBD | CAZ | CAX | 106.9° | 109.5° |
FBD | CAZ | FBC | 108.7° | 109.5° |
OBA | CAX | CAZ | 103.7° | 109.5° |
OBA | CAX | CAT | 111.6° | 109.5° |
OBA | CAX | CAY | 105.3° | 109.5° |
CAX | OBA | H20 | 109.5° | 114.0° |
FBB | CAZ | CAX | 106.9° | 109.4° |
FBB | CAZ | FBC | 110.4° | 109.5° |
OBL | CAI | CAH | 120.8° | 120.0° |
OBL | CAI | NAJ | 122.7° | 120.0° |
CAX | CAZ | FBC | 113.7° | 109.5° |
CAZ | CAX | CAT | 109.8° | 109.5° |
CAZ | CAX | CAY | 116.3° | 109.5° |
CAV | CAU | CAT | 120.5° | 120.2° |
CAU | CAV | CAQ | 119.7° | 119.9° |
CAV | CAU | H12 | 119.8° | 120.0° |
CAU | CAV | H13 | 120.1° | 120.0° |
CAU | CAT | CAX | 116.2° | 119.9° |
CAU | CAT | CAS | 120.1° | 120.2° |
CAT | CAU | H12 | 119.7° | 119.9° |
CAP | CAO | CAN | 119.8° | 119.9° |
CAO | CAP | CAK | 118.4° | 120.0° |
CAP | CAO | H9 | 120.1° | 120.0° |
CAO | CAP | H10 | 120.8° | 119.9° |
CAO | CAN | CAQ | 116.0° | 120.0° |
CAO | CAN | CAM | 121.8° | 119.9° |
CAN | CAO | H9 | 120.1° | 120.0° |
CAP | CAK | NAJ | 122.8° | 120.0° |
CAP | CAK | CAL | 121.3° | 120.2° |
CAK | CAP | H10 | 120.8° | 120.0° |
CAV | CAQ | CAN | 115.7° | 120.1° |
CAV | CAQ | CAR | 121.5° | 119.7° |
CAQ | CAV | H13 | 120.2° | 120.1° |
CAT | CAX | CAY | 110.0° | 109.5° |
CAX | CAT | CAS | 123.7° | 119.9° |
CAX | CAY | FBF | 107.4° | 109.5° |
CAX | CAY | FBG | 107.4° | 109.5° |
CAX | CAY | FBE | 111.1° | 109.5° |
CAH | CAI | NAJ | 116.4° | 120.0° |
CAI | CAH | CAF | 102.2° | 109.5° |
CAI | CAH | H5 | 111.3° | 109.5° |
CAI | CAH | H6 | 111.3° | 109.5° |
CAI | NAJ | CAK | 124.3° | 120.0° |
CAI | NAJ | H19 | 117.9° | 120.0° |
CAT | CAS | CAR | 119.3° | 120.1° |
CAT | CAS | H11 | 120.3° | 119.9° |
CAB | CAA | CAF | 119.1° | 120.0° |
CAA | CAB | CAC | 119.9° | 120.0° |
CAB | CAA | H1 | 120.4° | 120.0° |
CAA | CAB | H2 | 120.0° | 120.0° |
CAA | CAF | CAH | 118.5° | 120.0° |
CAA | CAF | CAE | 121.1° | 120.0° |
CAF | CAA | H1 | 120.4° | 120.0° |
CAH | CAF | CAE | 120.3° | 120.0° |
CAF | CAH | H5 | 111.3° | 109.5° |
CAF | CAH | H6 | 111.3° | 109.5° |
CAN | CAQ | CAR | 122.7° | 120.1° |
CAQ | CAN | CAM | 122.2° | 120.1° |
CAQ | CAR | CAS | 118.9° | 119.8° |
CAQ | CAR | FAW | 119.9° | 120.1° |
FBF | CAY | FBG | 109.9° | 109.4° |
FBF | CAY | FBE | 109.4° | 109.5° |
CAN | CAM | CAL | 118.4° | 119.9° |
CAN | CAM | H8 | 120.8° | 120.1° |
NAJ | CAK | CAL | 115.9° | 119.9° |
CAK | NAJ | H19 | 117.8° | 120.0° |
CAK | CAL | CAM | 120.3° | 120.0° |
CAK | CAL | H7 | 119.8° | 120.1° |
CAS | CAR | FAW | 121.1° | 120.1° |
CAR | CAS | H11 | 120.4° | 119.9° |
CAB | CAC | SAG | 116.8° | 120.0° |
CAB | CAC | CAD | 121.2° | 120.0° |
CAC | CAB | H2 | 120.0° | 120.0° |
FBG | CAY | FBE | 111.6° | 109.4° |
CAF | CAE | CAD | 119.9° | 120.0° |
CAF | CAE | H4 | 120.0° | 119.9° |
CAM | CAL | H7 | 119.9° | 119.9° |
CAL | CAM | H8 | 120.8° | 120.0° |
CBK | CBJ | SAG | 108.4° | 109.5° |
CBK | CBJ | H14 | 109.8° | 109.5° |
CBK | CBJ | H15 | 109.7° | 109.4° |
CBJ | CBK | H16 | 109.5° | 109.4° |
CBJ | CBK | H17 | 109.4° | 109.5° |
CBJ | CBK | H18 | 109.5° | 109.5° |
CBJ | SAG | CAC | 110.3° | 104.4° |
CBJ | SAG | OBI | 108.8° | 110.5° |
CBJ | SAG | OBH | 105.9° | 110.5° |
SAG | CBJ | H14 | 109.7° | 109.5° |
SAG | CBJ | H15 | 109.7° | 109.5° |
SAG | CAC | CAD | 122.0° | 120.0° |
CAC | SAG | OBI | 107.3° | 104.3° |
CAC | SAG | OBH | 110.5° | 104.3° |
CAC | CAD | CAE | 118.6° | 120.0° |
CAC | CAD | H3 | 120.7° | 120.0° |
CAE | CAD | H3 | 120.7° | 119.9° |
CAD | CAE | H4 | 120.0° | 120.1° |
OBI | SAG | OBH | 114.1° | 121.1° |
H5 | CAH | H6 | 109.5° | 109.4° |
H14 | CBJ | H15 | 109.5° | 109.4° |
H16 | CBK | H17 | 109.5° | 109.5° |
H16 | CBK | H18 | 109.5° | 109.4° |
H17 | CBK | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FBD | CAZ | CAX | OBA | 54.9° | 60.0° |
FBD | CAZ | FBB | CAX | 115.8° | 120.0° |
FBD | CAZ | FBB | FBC | 120.0° | 120.1° |
FBD | CAZ | CAX | FBC | 119.9° | 120.1° |
FBD | CAZ | CAX | CAT | 64.4° | 180.0° |
FBD | CAZ | CAX | CAY | 170.0° | 59.9° |
OBA | CAX | CAZ | FBB | 63.1° | 180.0° |
OBA | CAX | CAZ | CAT | 119.4° | 120.0° |
OBA | CAX | CAZ | CAY | 115.0° | 120.0° |
OBA | CAX | CAZ | FBC | 174.8° | 60.0° |
OBA | CAX | CAT | CAU | 6.1° | 178.8° |
OBA | CAX | CAT | CAY | 116.5° | 120.0° |
OBA | CAX | CAT | CAS | 173.9° | 1.2° |
OBA | CAX | CAY | FBF | 63.4° | 65.0° |
OBA | CAX | CAY | FBG | 54.7° | 175.0° |
OBA | CAX | CAY | FBE | 177.1° | 55.0° |
FBB | CAZ | CAX | FBC | 122.1° | 120.0° |
FBB | CAZ | CAX | CAT | 177.6° | 60.0° |
FBB | CAZ | CAX | CAY | 52.0° | 60.0° |
OBL | CAI | CAH | NAJ | 177.1° | 179.9° |
OBL | CAI | CAH | CAF | 84.8° | 0.0° |
OBL | CAI | NAJ | CAK | 3.6° | 5.1° |
OBL | CAI | CAH | H5 | 34.1° | 120.0° |
OBL | CAI | CAH | H6 | 156.4° | 120.0° |
OBL | CAI | NAJ | H19 | 176.4° | 175.0° |
CAZ | CAX | CAT | CAU | 120.4° | 58.8° |
CAZ | CAX | CAT | CAY | 129.1° | 120.0° |
CAZ | CAX | CAT | CAS | 59.5° | 121.2° |
CAZ | CAX | CAY | FBF | 50.7° | 175.0° |
CAZ | CAX | CAY | FBG | 168.8° | 55.0° |
CAZ | CAX | CAY | FBE | 68.8° | 65.0° |
CAZ | CAX | OBA | H20 | 180.0° | 60.0° |
FBC | CAZ | CAX | CAT | 55.4° | 60.0° |
FBC | CAZ | CAX | CAY | 70.2° | 180.0° |
CAV | CAU | CAT | H12 | 180.0° | 179.4° |
CAU | CAV | CAQ | H13 | 180.0° | 179.5° |
CAV | CAU | CAT | CAX | 179.3° | 179.7° |
CAV | CAU | CAT | CAS | 0.6° | 0.3° |
CAU | CAV | CAQ | CAN | 178.6° | 179.7° |
CAU | CAV | CAQ | CAR | 2.2° | 0.5° |
CAT | CAU | CAV | CAQ | 1.2° | 0.5° |
CAU | CAT | CAX | CAS | 180.0° | 180.0° |
CAU | CAT | CAX | CAY | 110.5° | 61.2° |
CAU | CAT | CAS | CAR | 1.1° | 0.0° |
CAU | CAT | CAS | H11 | 178.9° | 180.0° |
CAT | CAU | CAV | H13 | 178.8° | 180.0° |
CAP | CAO | CAN | H9 | 180.0° | 179.4° |
CAO | CAP | CAK | H10 | 180.0° | 179.6° |
CAP | CAO | CAN | CAQ | 179.5° | 179.8° |
CAP | CAO | CAN | CAM | 1.1° | 0.3° |
CAO | CAP | CAK | NAJ | 179.9° | 179.8° |
CAO | CAP | CAK | CAL | 1.2° | 0.5° |
CAN | CAO | CAP | CAK | 1.6° | 0.5° |
CAO | CAN | CAQ | CAV | 68.1° | 129.7° |
CAO | CAN | CAQ | CAM | 179.4° | 179.9° |
CAO | CAN | CAQ | CAR | 108.4° | 50.1° |
CAO | CAN | CAM | CAL | 0.3° | 0.1° |
CAO | CAN | CAM | H8 | 179.7° | 180.0° |
CAN | CAO | CAP | H10 | 178.4° | 179.9° |
CAP | CAK | NAJ | CAI | 9.5° | 32.4° |
CAP | CAK | NAJ | CAL | 178.7° | 179.8° |
CAP | CAK | CAL | CAM | 0.4° | 0.2° |
CAP | CAK | CAL | H7 | 179.5° | 179.7° |
CAK | CAP | CAO | H9 | 178.4° | 179.9° |
CAP | CAK | NAJ | H19 | 170.5° | 147.6° |
CAV | CAQ | CAN | CAR | 176.4° | 179.8° |
CAV | CAQ | CAN | CAM | 112.6° | 50.2° |
CAV | CAQ | CAR | CAS | 2.6° | 0.2° |
CAV | CAQ | CAR | FAW | 179.4° | 179.8° |
CAQ | CAV | CAU | H12 | 178.8° | 180.0° |
CAT | CAX | CAY | FBF | 176.2° | 55.0° |
CAX | CAT | CAS | CAR | 178.9° | 180.0° |
CAT | CAX | CAY | FBG | 65.7° | 65.0° |
CAT | CAX | CAY | FBE | 56.7° | 175.0° |
CAX | CAT | CAS | H11 | 1.1° | 0.1° |
CAX | CAT | CAU | H12 | 0.7° | 0.3° |
CAT | CAX | OBA | H20 | 61.9° | 60.0° |
CAY | CAX | CAT | CAS | 69.6° | 118.8° |
CAX | CAY | FBF | FBG | 116.4° | 120.0° |
CAX | CAY | FBF | FBE | 120.7° | 120.0° |
CAX | CAY | FBG | FBE | 122.0° | 120.0° |
CAY | CAX | OBA | H20 | 57.4° | 180.0° |
CAI | CAH | CAF | CAA | 106.9° | 90.0° |
CAI | CAH | CAF | H5 | 118.8° | 120.0° |
CAI | CAH | CAF | H6 | 118.8° | 120.0° |
CAH | CAI | NAJ | CAK | 179.4° | 174.9° |
CAI | CAH | CAF | CAE | 70.3° | 90.0° |
CAI | CAH | H5 | H6 | 123.4° | 120.0° |
CAH | CAI | NAJ | H19 | 0.6° | 5.1° |
NAJ | CAI | CAH | CAF | 92.3° | 180.0° |
CAI | NAJ | CAK | H19 | 180.0° | 180.0° |
CAI | NAJ | CAK | CAL | 171.8° | 147.8° |
NAJ | CAI | CAH | H5 | 148.9° | 60.0° |
NAJ | CAI | CAH | H6 | 26.5° | 60.0° |
CAT | CAS | CAR | CAQ | 2.0° | 0.1° |
CAT | CAS | CAR | H11 | 180.0° | 179.9° |
CAT | CAS | CAR | FAW | 180.0° | 179.9° |
CAS | CAT | CAU | H12 | 179.4° | 179.7° |
CAB | CAA | CAF | H1 | 180.0° | 179.7° |
CAB | CAA | CAF | CAH | 178.9° | 179.9° |
CAA | CAB | CAC | H2 | 180.0° | 180.0° |
CAB | CAA | CAF | CAE | 1.7° | 0.0° |
CAA | CAB | CAC | SAG | 179.5° | 179.9° |
CAA | CAB | CAC | CAD | 0.2° | 0.1° |
CAA | CAF | CAH | CAE | 177.2° | 179.9° |
CAF | CAA | CAB | CAC | 0.9° | 0.0° |
CAA | CAF | CAE | CAD | 1.4° | 0.0° |
CAF | CAA | CAB | H2 | 179.1° | 180.0° |
CAA | CAF | CAE | H4 | 178.6° | 180.0° |
CAA | CAF | CAH | H5 | 12.0° | 150.0° |
CAA | CAF | CAH | H6 | 134.3° | 30.0° |
CAH | CAF | CAE | CAD | 178.6° | 179.9° |
CAH | CAF | CAA | H1 | 1.1° | 0.3° |
CAH | CAF | CAE | H4 | 1.5° | 0.0° |
CAF | CAH | H5 | H6 | 123.4° | 119.9° |
CAN | CAQ | CAR | CAS | 178.8° | 180.0° |
CAN | CAQ | CAR | FAW | 3.2° | 0.0° |
CAQ | CAN | CAM | CAL | 179.6° | 179.9° |
CAQ | CAN | CAM | H8 | 0.3° | 0.1° |
CAQ | CAN | CAO | H9 | 0.5° | 0.4° |
CAN | CAQ | CAV | H13 | 1.4° | 0.2° |
CAR | CAQ | CAN | CAM | 71.0° | 130.0° |
CAQ | CAR | CAS | FAW | 178.0° | 180.0° |
CAQ | CAR | CAS | H11 | 178.0° | 180.0° |
CAR | CAQ | CAV | H13 | 177.8° | 180.0° |
FBF | CAY | FBG | FBE | 121.5° | 120.0° |
CAN | CAM | CAL | CAK | 0.0° | 0.0° |
CAN | CAM | CAL | H8 | 180.0° | 180.0° |
CAN | CAM | CAL | H7 | 180.0° | 179.9° |
CAM | CAN | CAO | H9 | 178.9° | 179.7° |
NAJ | CAK | CAL | CAM | 179.2° | 180.0° |
NAJ | CAK | CAL | H7 | 0.8° | 0.0° |
NAJ | CAK | CAP | H10 | 0.1° | 0.2° |
CAK | CAL | CAM | H7 | 180.0° | 180.0° |
CAK | CAL | CAM | H8 | 180.0° | 180.0° |
CAL | CAK | CAP | H10 | 178.8° | 180.0° |
CAL | CAK | NAJ | H19 | 8.2° | 32.2° |
CAB | CAC | SAG | CBJ | 74.5° | 90.1° |
CAB | CAC | SAG | CAD | 179.3° | 179.9° |
CAB | CAC | CAD | CAE | 0.5° | 0.1° |
CAB | CAC | SAG | OBI | 43.8° | 26.0° |
CAB | CAC | SAG | OBH | 168.8° | 153.9° |
CAC | CAB | CAA | H1 | 179.1° | 179.7° |
CAB | CAC | CAD | H3 | 179.5° | 179.9° |
CAF | CAE | CAD | CAC | 0.3° | 0.0° |
CAF | CAE | CAD | H4 | 180.0° | 180.0° |
CAE | CAF | CAA | H1 | 178.3° | 179.7° |
CAF | CAE | CAD | H3 | 179.7° | 180.0° |
CAE | CAF | CAH | H5 | 170.8° | 30.1° |
CAE | CAF | CAH | H6 | 48.5° | 150.0° |
FAW | CAR | CAS | H11 | 0.0° | 0.0° |
CBK | CBJ | SAG | H14 | 119.8° | 120.0° |
CBK | CBJ | SAG | H15 | 119.8° | 120.0° |
CBK | CBJ | SAG | CAC | 53.9° | 180.0° |
CBK | CBJ | SAG | OBI | 171.3° | 68.4° |
CBK | CBJ | SAG | OBH | 65.7° | 68.4° |
CBK | CBJ | H14 | H15 | 120.5° | 119.9° |
CBJ | CBK | H16 | H17 | 120.0° | 120.0° |
CBJ | CBK | H16 | H18 | 120.0° | 119.9° |
CBJ | CBK | H17 | H18 | 120.0° | 120.0° |
CBJ | SAG | CAC | OBI | 118.4° | 116.0° |
CBJ | SAG | CAC | OBH | 116.7° | 116.0° |
CBJ | SAG | CAC | CAD | 104.8° | 90.1° |
CBJ | SAG | OBI | OBH | 117.9° | 131.5° |
SAG | CBJ | H14 | H15 | 120.5° | 120.0° |
SAG | CBJ | CBK | H16 | 180.0° | 60.0° |
SAG | CBJ | CBK | H17 | 60.0° | 180.0° |
SAG | CBJ | CBK | H18 | 60.0° | 60.0° |
SAG | CAC | CAD | CAE | 179.7° | 179.9° |
CAC | SAG | OBI | OBH | 122.7° | 116.8° |
SAG | CAC | CAB | H2 | 0.5° | 0.1° |
SAG | CAC | CAD | H3 | 0.3° | 0.1° |
CAC | SAG | CBJ | H14 | 173.7° | 60.0° |
CAC | SAG | CBJ | H15 | 65.9° | 60.0° |
CAC | CAD | CAE | H3 | 180.0° | 180.0° |
CAD | CAC | SAG | OBI | 136.9° | 153.9° |
CAD | CAC | SAG | OBH | 11.9° | 26.0° |
CAD | CAC | CAB | H2 | 179.8° | 180.0° |
CAC | CAD | CAE | H4 | 179.7° | 180.0° |
OBI | SAG | CBJ | H14 | 68.8° | 171.6° |
OBI | SAG | CBJ | H15 | 51.5° | 51.6° |
OBH | SAG | CBJ | H14 | 54.2° | 51.7° |
OBH | SAG | CBJ | H15 | 174.5° | 171.6° |
H1 | CAA | CAB | H2 | 0.9° | 0.3° |
H3 | CAD | CAE | H4 | 0.3° | 0.0° |
H7 | CAL | CAM | H8 | 0.0° | 0.0° |
H9 | CAO | CAP | H10 | 1.6° | 0.5° |
H12 | CAU | CAV | H13 | 1.2° | 0.6° |
H14 | CBJ | CBK | H16 | 60.1° | 180.0° |
H14 | CBJ | CBK | H17 | 59.9° | 60.0° |
H14 | CBJ | CBK | H18 | 179.8° | 60.1° |
H15 | CBJ | CBK | H16 | 60.2° | 60.0° |
H15 | CBJ | CBK | H17 | 179.8° | 60.0° |
H15 | CBJ | CBK | H18 | 59.8° | 180.0° |
H16 | CBK | H17 | H18 | 120.0° | 120.0° |