KF7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | PAA | doub | 1.48Å | 1.61Å | |
OAU | PAA | sing | 1.61Å | 1.61Å | |
PAA | OAD | sing | 1.61Å | 1.48Å | |
PAA | CAC | sing | 1.82Å | 1.88Å | |
CAC | NAB | sing | 1.46Å | 1.48Å | |
CAC | CAV | sing | 1.53Å | 1.55Å | |
NAB | C4 | sing | 1.38Å | 1.35Å | |
CAV | CAX | sing | 1.51Å | 1.40Å | |
C4 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.42Å | 1.36Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
C5 | CAL | sing | 1.45Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.36Å | Aromatic |
C2 | N1 | doub | 1.31Å | 1.39Å | Aromatic |
CAL | CAM | doub | 1.33Å | 1.35Å | Aromatic |
CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
CAT | CAO | sing | 1.40Å | 1.40Å | Aromatic |
C6 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
C6 | SAN | sing | 1.76Å | 1.65Å | Aromatic |
CAS | CAR | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAO | sing | 1.48Å | 1.37Å | |
CAM | SAN | sing | 1.75Å | 1.67Å | Aromatic |
CAO | CAP | doub | 1.40Å | 1.40Å | Aromatic |
CAR | CAW | sing | 1.51Å | 1.40Å | |
CAR | CAQ | doub | 1.38Å | 1.37Å | Aromatic |
CAX | CBC | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAY | sing | 1.38Å | 1.40Å | Aromatic |
CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CBC | CBB | sing | 1.38Å | 1.39Å | Aromatic |
CAY | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
CBB | CBA | doub | 1.38Å | 1.39Å | Aromatic |
CAZ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
OAD | H1 | sing | 0.97Å | 0.95Å | |
CAL | H2 | sing | 1.08Å | 1.08Å | |
NAB | H3 | sing | 0.97Å | 1.00Å | |
CAP | H4 | sing | 1.08Å | 1.08Å | |
CAQ | H5 | sing | 1.08Å | 1.08Å | |
CAW | H6 | sing | 1.09Å | 1.10Å | |
CAW | H7 | sing | 1.09Å | 1.10Å | |
CAW | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.08Å | 1.08Å | |
CAT | H10 | sing | 1.08Å | 1.08Å | |
C2 | H11 | sing | 1.08Å | 1.08Å | |
CAC | H12 | sing | 1.09Å | 1.10Å | |
OAU | H13 | sing | 0.97Å | 0.95Å | |
CAV | H14 | sing | 1.09Å | 1.10Å | |
CAV | H15 | sing | 1.09Å | 1.10Å | |
CAY | H16 | sing | 1.08Å | 1.08Å | |
CAZ | H17 | sing | 1.08Å | 1.08Å | |
CBA | H18 | sing | 1.08Å | 1.08Å | |
CBB | H19 | sing | 1.08Å | 1.08Å | |
CBC | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | PAA | OAU | 105.9° | 109.5° |
OAE | PAA | OAD | 108.8° | 109.5° |
OAE | PAA | CAC | 106.4° | 109.5° |
OAU | PAA | OAD | 113.7° | 109.5° |
OAU | PAA | CAC | 106.5° | 109.5° |
PAA | OAU | H13 | 109.5° | 114.0° |
OAD | PAA | CAC | 115.0° | 109.5° |
PAA | OAD | H1 | 109.5° | 114.0° |
PAA | CAC | NAB | 107.5° | 109.4° |
PAA | CAC | CAV | 110.8° | 109.5° |
PAA | CAC | H12 | 106.6° | 109.4° |
NAB | CAC | CAV | 110.3° | 109.5° |
CAC | NAB | C4 | 123.7° | 120.0° |
CAC | NAB | H3 | 105.8° | 120.0° |
NAB | CAC | H12 | 111.3° | 109.5° |
CAC | CAV | CAX | 110.1° | 109.5° |
CAV | CAC | H12 | 110.3° | 109.5° |
CAC | CAV | H14 | 109.3° | 109.4° |
CAC | CAV | H15 | 109.3° | 109.4° |
NAB | C4 | N3 | 120.2° | 120.6° |
NAB | C4 | C5 | 117.1° | 120.5° |
C4 | NAB | H3 | 105.8° | 120.0° |
CAV | CAX | CBC | 120.3° | 120.0° |
CAV | CAX | CAY | 120.1° | 120.0° |
CAX | CAV | H14 | 109.3° | 109.5° |
CAX | CAV | H15 | 109.3° | 109.5° |
N3 | C4 | C5 | 122.6° | 118.9° |
C4 | N3 | C2 | 119.7° | 121.2° |
C4 | C5 | CAL | 129.3° | 130.3° |
C4 | C5 | C6 | 117.6° | 117.5° |
N3 | C2 | N1 | 117.6° | 122.3° |
N3 | C2 | H11 | 121.2° | 118.9° |
CAL | C5 | C6 | 113.1° | 112.2° |
C5 | CAL | CAM | 115.8° | 114.6° |
C5 | CAL | H2 | 122.1° | 122.7° |
C5 | C6 | N1 | 122.3° | 119.1° |
C5 | C6 | SAN | 107.7° | 109.8° |
C2 | N1 | C6 | 120.1° | 121.1° |
N1 | C2 | H11 | 121.2° | 118.9° |
CAL | CAM | CAO | 128.3° | 124.4° |
CAL | CAM | SAN | 105.9° | 111.3° |
CAM | CAL | H2 | 122.1° | 122.7° |
CAS | CAT | CAO | 121.0° | 119.8° |
CAT | CAS | CAR | 121.3° | 120.2° |
CAT | CAS | H9 | 119.4° | 119.9° |
CAS | CAT | H10 | 119.5° | 120.0° |
CAT | CAO | CAM | 124.1° | 120.1° |
CAT | CAO | CAP | 115.9° | 119.7° |
CAO | CAT | H10 | 119.5° | 120.1° |
N1 | C6 | SAN | 130.0° | 131.1° |
C6 | SAN | CAM | 97.5° | 92.2° |
CAS | CAR | CAW | 122.1° | 119.9° |
CAS | CAR | CAQ | 118.6° | 120.3° |
CAR | CAS | H9 | 119.4° | 119.9° |
CAO | CAM | SAN | 125.8° | 124.3° |
CAM | CAO | CAP | 119.9° | 120.2° |
CAO | CAP | CAQ | 122.8° | 119.9° |
CAO | CAP | H4 | 118.6° | 120.0° |
CAW | CAR | CAQ | 119.3° | 119.9° |
CAR | CAW | H6 | 109.5° | 109.5° |
CAR | CAW | H7 | 109.5° | 109.5° |
CAR | CAW | H8 | 109.5° | 109.5° |
CAR | CAQ | CAP | 120.3° | 120.2° |
CAR | CAQ | H5 | 119.8° | 119.9° |
CBC | CAX | CAY | 119.6° | 120.0° |
CAX | CBC | CBB | 120.0° | 120.0° |
CAX | CBC | H20 | 120.0° | 120.0° |
CAX | CAY | CAZ | 120.2° | 120.0° |
CAX | CAY | H16 | 119.9° | 120.0° |
CAQ | CAP | H4 | 118.6° | 120.1° |
CAP | CAQ | H5 | 119.8° | 119.9° |
CBC | CBB | CBA | 120.4° | 120.0° |
CBC | CBB | H19 | 119.8° | 120.0° |
CBB | CBC | H20 | 120.0° | 120.0° |
CAY | CAZ | CBA | 120.1° | 120.0° |
CAZ | CAY | H16 | 119.9° | 120.0° |
CAY | CAZ | H17 | 120.0° | 119.9° |
CBB | CBA | CAZ | 119.7° | 120.0° |
CBB | CBA | H18 | 120.1° | 120.1° |
CBA | CBB | H19 | 119.8° | 120.0° |
CBA | CAZ | H17 | 119.9° | 120.0° |
CAZ | CBA | H18 | 120.2° | 120.0° |
H6 | CAW | H7 | 109.4° | 109.5° |
H6 | CAW | H8 | 109.5° | 109.4° |
H7 | CAW | H8 | 109.5° | 109.5° |
H14 | CAV | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | PAA | OAU | OAD | 119.4° | 120.0° |
OAE | PAA | OAU | CAC | 113.0° | 120.0° |
OAE | PAA | OAD | CAC | 119.2° | 120.0° |
OAE | PAA | CAC | NAB | 59.4° | 68.5° |
OAE | PAA | CAC | CAV | 180.0° | 51.5° |
OAE | PAA | OAD | H1 | 0.0° | 60.0° |
OAE | PAA | CAC | H12 | 60.0° | 171.5° |
OAE | PAA | OAU | H13 | 0.0° | 177.9° |
OAU | PAA | OAD | CAC | 123.1° | 120.0° |
OAU | PAA | CAC | NAB | 172.1° | 51.5° |
OAU | PAA | CAC | CAV | 67.4° | 171.5° |
OAU | PAA | OAD | H1 | 117.7° | 60.0° |
OAU | PAA | CAC | H12 | 52.7° | 68.5° |
OAD | PAA | CAC | NAB | 61.1° | 171.5° |
OAD | PAA | CAC | CAV | 59.5° | 68.5° |
OAD | PAA | CAC | H12 | 179.5° | 51.5° |
OAD | PAA | OAU | H13 | 119.3° | 62.1° |
PAA | CAC | NAB | CAV | 120.8° | 120.0° |
PAA | CAC | NAB | H12 | 116.3° | 119.9° |
PAA | CAC | CAV | H12 | 117.8° | 119.9° |
PAA | CAC | NAB | C4 | 131.3° | 104.4° |
PAA | CAC | CAV | CAX | 156.3° | 65.4° |
CAC | PAA | OAD | H1 | 119.2° | 180.0° |
PAA | CAC | NAB | H3 | 106.8° | 75.7° |
CAC | PAA | OAU | H13 | 113.0° | 57.9° |
PAA | CAC | CAV | H14 | 83.6° | 54.6° |
PAA | CAC | CAV | H15 | 36.2° | 174.6° |
NAB | CAC | CAV | H12 | 123.4° | 120.1° |
CAC | NAB | C4 | H3 | 121.9° | 179.9° |
NAB | CAC | CAV | CAX | 37.4° | 174.6° |
CAC | NAB | C4 | N3 | 14.8° | 5.9° |
CAC | NAB | C4 | C5 | 166.0° | 174.3° |
NAB | CAC | CAV | H14 | 157.5° | 65.4° |
NAB | CAC | CAV | H15 | 82.7° | 54.6° |
CAV | CAC | NAB | C4 | 107.9° | 135.6° |
CAC | CAV | CAX | H14 | 120.1° | 120.0° |
CAC | CAV | CAX | H15 | 120.1° | 120.0° |
CAC | CAV | CAX | CBC | 89.6° | 97.1° |
CAC | CAV | CAX | CAY | 89.6° | 82.6° |
CAV | CAC | NAB | H3 | 14.0° | 44.3° |
CAC | CAV | H14 | H15 | 119.7° | 119.9° |
NAB | C4 | N3 | C5 | 179.1° | 179.8° |
NAB | C4 | N3 | C2 | 179.7° | 180.0° |
NAB | C4 | C5 | CAL | 0.8° | 0.2° |
NAB | C4 | C5 | C6 | 179.6° | 180.0° |
C4 | NAB | CAC | H12 | 14.9° | 15.5° |
CAV | CAX | CBC | CAY | 179.2° | 179.7° |
CAV | CAX | CBC | CBB | 179.4° | 179.8° |
CAV | CAX | CAY | CAZ | 179.2° | 180.0° |
CAX | CAV | CAC | H12 | 85.9° | 54.5° |
CAX | CAV | H14 | H15 | 119.7° | 120.0° |
CAV | CAX | CAY | H16 | 0.8° | 0.1° |
CAV | CAX | CBC | H20 | 0.6° | 0.0° |
N3 | C4 | C5 | CAL | 179.9° | 180.0° |
N3 | C4 | C5 | C6 | 0.5° | 0.2° |
C4 | N3 | C2 | N1 | 0.3° | 0.1° |
N3 | C4 | NAB | H3 | 107.1° | 174.2° |
C4 | N3 | C2 | H11 | 179.7° | 179.9° |
C5 | C4 | N3 | C2 | 0.6° | 0.2° |
C4 | C5 | CAL | C6 | 179.6° | 179.9° |
C4 | C5 | CAL | CAM | 179.7° | 180.0° |
C4 | C5 | C6 | N1 | 0.1° | 0.0° |
C4 | C5 | C6 | SAN | 179.8° | 179.8° |
C4 | C5 | CAL | H2 | 0.4° | 0.0° |
C5 | C4 | NAB | H3 | 72.0° | 5.6° |
N3 | C2 | N1 | H11 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.1° | 0.0° |
C5 | CAL | CAM | H2 | 180.0° | 180.0° |
CAL | C5 | C6 | N1 | 179.7° | 179.9° |
CAL | C5 | C6 | SAN | 0.5° | 0.1° |
C5 | CAL | CAM | CAO | 178.8° | 180.0° |
C5 | CAL | CAM | SAN | 0.5° | 0.2° |
C5 | C6 | N1 | C2 | 0.2° | 0.0° |
C6 | C5 | CAL | CAM | 0.7° | 0.1° |
C5 | C6 | N1 | SAN | 179.7° | 179.8° |
C5 | C6 | SAN | CAM | 0.2° | 0.2° |
C6 | C5 | CAL | H2 | 179.2° | 179.9° |
C2 | N1 | C6 | SAN | 179.5° | 179.8° |
CAL | CAM | CAO | CAT | 0.7° | 0.0° |
CAL | CAM | SAN | C6 | 0.2° | 0.3° |
CAL | CAM | CAO | SAN | 178.0° | 179.7° |
CAL | CAM | CAO | CAP | 177.8° | 179.8° |
CAS | CAT | CAO | H10 | 180.0° | 179.6° |
CAT | CAS | CAR | H9 | 180.0° | 179.8° |
CAS | CAT | CAO | CAM | 179.7° | 179.8° |
CAS | CAT | CAO | CAP | 1.1° | 0.5° |
CAT | CAS | CAR | CAW | 178.7° | 179.7° |
CAT | CAS | CAR | CAQ | 0.4° | 0.2° |
CAO | CAT | CAS | CAR | 1.2° | 0.4° |
CAT | CAO | CAM | CAP | 178.5° | 179.7° |
CAT | CAO | CAM | SAN | 178.7° | 179.7° |
CAT | CAO | CAP | CAQ | 0.4° | 0.2° |
CAT | CAO | CAP | H4 | 179.6° | 179.7° |
CAO | CAT | CAS | H9 | 178.8° | 179.8° |
N1 | C6 | SAN | CAM | 179.9° | 180.0° |
C6 | N1 | C2 | H11 | 180.0° | 179.9° |
C6 | SAN | CAM | CAO | 178.5° | 180.0° |
CAS | CAR | CAW | CAQ | 179.1° | 179.9° |
CAS | CAR | CAQ | CAP | 0.4° | 0.1° |
CAS | CAR | CAQ | H5 | 179.6° | 180.0° |
CAS | CAR | CAW | H6 | 89.5° | 90.0° |
CAS | CAR | CAW | H7 | 150.5° | 30.1° |
CAS | CAR | CAW | H8 | 30.5° | 150.1° |
CAR | CAS | CAT | H10 | 178.8° | 180.0° |
CAM | CAO | CAP | CAQ | 179.0° | 180.0° |
CAO | CAM | CAL | H2 | 1.1° | 0.0° |
CAM | CAO | CAP | H4 | 1.0° | 0.0° |
CAM | CAO | CAT | H10 | 0.3° | 0.2° |
SAN | CAM | CAO | CAP | 0.2° | 0.0° |
SAN | CAM | CAL | H2 | 179.4° | 179.8° |
CAO | CAP | CAQ | CAR | 0.4° | 0.0° |
CAO | CAP | CAQ | H4 | 180.0° | 180.0° |
CAO | CAP | CAQ | H5 | 179.6° | 180.0° |
CAP | CAO | CAT | H10 | 178.8° | 180.0° |
CAW | CAR | CAQ | CAP | 179.5° | 180.0° |
CAW | CAR | CAQ | H5 | 0.5° | 0.1° |
CAR | CAW | H6 | H7 | 120.0° | 120.0° |
CAR | CAW | H6 | H8 | 120.0° | 120.0° |
CAR | CAW | H7 | H8 | 120.0° | 120.0° |
CAW | CAR | CAS | H9 | 1.3° | 0.1° |
CAR | CAQ | CAP | H5 | 180.0° | 180.0° |
CAR | CAQ | CAP | H4 | 179.7° | 180.0° |
CAQ | CAR | CAW | H6 | 89.5° | 89.9° |
CAQ | CAR | CAW | H7 | 30.4° | 150.0° |
CAQ | CAR | CAW | H8 | 150.4° | 30.0° |
CAQ | CAR | CAS | H9 | 179.6° | 180.0° |
CAX | CBC | CBB | H20 | 180.0° | 179.8° |
CBC | CAX | CAY | CAZ | 0.0° | 0.3° |
CAX | CBC | CBB | CBA | 0.3° | 0.5° |
CBC | CAX | CAV | H14 | 30.6° | 22.9° |
CBC | CAX | CAV | H15 | 150.3° | 143.0° |
CBC | CAX | CAY | H16 | 180.0° | 179.7° |
CAX | CBC | CBB | H19 | 179.7° | 179.7° |
CAY | CAX | CBC | CBB | 0.2° | 0.5° |
CAX | CAY | CAZ | H16 | 180.0° | 179.9° |
CAX | CAY | CAZ | CBA | 0.0° | 0.1° |
CAY | CAX | CAV | H14 | 150.3° | 157.4° |
CAY | CAX | CAV | H15 | 30.5° | 37.4° |
CAX | CAY | CAZ | H17 | 180.0° | 179.9° |
CAY | CAX | CBC | H20 | 179.8° | 179.7° |
CBC | CBB | CBA | H19 | 180.0° | 179.9° |
CBC | CBB | CBA | CAZ | 0.2° | 0.2° |
CBC | CBB | CBA | H18 | 179.8° | 179.8° |
CAY | CAZ | CBA | CBB | 0.1° | 0.0° |
CAY | CAZ | CBA | H17 | 180.0° | 180.0° |
CAY | CAZ | CBA | H18 | 180.0° | 180.0° |
CBB | CBA | CAZ | H18 | 180.0° | 180.0° |
CBB | CBA | CAZ | H17 | 180.0° | 180.0° |
CBA | CBB | CBC | H20 | 179.7° | 179.8° |
CBA | CAZ | CAY | H16 | 180.0° | 180.0° |
CAZ | CBA | CBB | H19 | 179.8° | 179.9° |
H3 | NAB | CAC | H12 | 136.8° | 164.4° |
H4 | CAP | CAQ | H5 | 0.4° | 0.0° |
H6 | CAW | H7 | H8 | 120.0° | 119.9° |
H9 | CAS | CAT | H10 | 1.2° | 0.2° |
H12 | CAC | CAV | H14 | 34.2° | 174.5° |
H12 | CAC | CAV | H15 | 154.0° | 65.5° |
H16 | CAY | CAZ | H17 | 0.0° | 0.0° |
H17 | CAZ | CBA | H18 | 0.0° | 0.0° |
H18 | CBA | CBB | H19 | 0.2° | 0.1° |
H19 | CBB | CBC | H20 | 0.3° | 0.1° |