FV8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAS | sing | 1.36Å | 1.35Å | |
CAS | CAG | doub | 1.39Å | 1.38Å | Aromatic |
CAS | CAU | sing | 1.39Å | 1.38Å | Aromatic |
NAN | CAI | sing | 1.35Å | 1.34Å | Aromatic |
NAN | CAJ | sing | 1.37Å | 1.34Å | Aromatic |
OAD | CAU | sing | 1.36Å | 1.34Å | |
CAI | NAO | doub | 1.30Å | 1.36Å | Aromatic |
CAJ | CAT | doub | 1.35Å | 1.35Å | Aromatic |
CAG | CAF | sing | 1.39Å | 1.40Å | Aromatic |
NAO | CAT | sing | 1.34Å | 1.32Å | Aromatic |
CAU | CAV | doub | 1.40Å | 1.40Å | Aromatic |
CAT | CAK | sing | 1.51Å | 1.54Å | |
CAK | CAL | sing | 1.53Å | 1.52Å | |
OAE | NAY | sing | 1.42Å | 1.42Å | |
CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAV | CAH | sing | 1.40Å | 1.39Å | Aromatic |
CAV | CAR | sing | 1.48Å | 1.34Å | |
N | CAR | doub | 1.30Å | 1.35Å | |
N | CA | sing | 1.48Å | 1.53Å | |
NAY | CAL | sing | 1.47Å | 1.45Å | |
NAY | C | sing | 1.35Å | 1.30Å | |
CAR | OG1 | sing | 1.35Å | 1.34Å | |
CA | C | sing | 1.51Å | 1.42Å | |
CA | CB | sing | 1.55Å | 1.50Å | |
C | O | doub | 1.21Å | 1.23Å | |
OG1 | CB | sing | 1.44Å | 1.45Å | |
CB | CG2 | sing | 1.53Å | 1.54Å | |
CAJ | H1 | sing | 1.08Å | 1.08Å | |
NAN | H2 | sing | 0.97Å | 1.00Å | |
CAI | H3 | sing | 1.08Å | 1.08Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
CAK | H6 | sing | 1.09Å | 1.10Å | |
CAL | H7 | sing | 1.09Å | 1.10Å | |
CAL | H8 | sing | 1.09Å | 1.10Å | |
OAE | H9 | sing | 0.97Å | 0.95Å | |
CA | H10 | sing | 1.09Å | 1.10Å | |
CB | H11 | sing | 1.09Å | 1.10Å | |
CG2 | H12 | sing | 1.09Å | 1.10Å | |
CG2 | H13 | sing | 1.09Å | 1.10Å | |
CG2 | H14 | sing | 1.09Å | 1.10Å | |
CAH | H15 | sing | 1.08Å | 1.08Å | |
CAF | H16 | sing | 1.08Å | 1.08Å | |
CAG | H17 | sing | 1.08Å | 1.08Å | |
OAC | H18 | sing | 0.97Å | 0.95Å | |
OAD | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAS | CAG | 123.2° | 120.0° |
OAC | CAS | CAU | 117.6° | 120.0° |
CAS | OAC | H18 | 109.5° | 114.0° |
CAG | CAS | CAU | 119.2° | 120.0° |
CAS | CAG | CAF | 119.3° | 120.3° |
CAS | CAG | H17 | 120.3° | 119.9° |
CAS | CAU | OAD | 118.5° | 120.2° |
CAS | CAU | CAV | 122.4° | 119.7° |
CAI | NAN | CAJ | 106.6° | 107.2° |
NAN | CAI | NAO | 110.4° | 108.7° |
CAI | NAN | H2 | 126.7° | 126.4° |
NAN | CAI | H3 | 124.8° | 125.6° |
NAN | CAJ | CAT | 107.2° | 106.8° |
NAN | CAJ | H1 | 126.4° | 126.6° |
CAJ | NAN | H2 | 126.7° | 126.4° |
OAD | CAU | CAV | 119.1° | 120.2° |
CAU | OAD | H19 | 109.5° | 114.0° |
CAI | NAO | CAT | 104.7° | 109.3° |
NAO | CAI | H3 | 124.8° | 125.7° |
CAJ | CAT | NAO | 111.0° | 108.0° |
CAJ | CAT | CAK | 123.8° | 126.0° |
CAT | CAJ | H1 | 126.4° | 126.6° |
CAG | CAF | CAH | 121.2° | 120.3° |
CAG | CAF | H16 | 119.4° | 119.8° |
CAF | CAG | H17 | 120.4° | 119.8° |
NAO | CAT | CAK | 125.2° | 126.0° |
CAU | CAV | CAH | 118.1° | 119.7° |
CAU | CAV | CAR | 123.1° | 120.2° |
CAT | CAK | CAL | 111.7° | 109.5° |
CAT | CAK | H5 | 108.9° | 109.5° |
CAT | CAK | H6 | 108.9° | 109.5° |
CAK | CAL | NAY | 110.4° | 109.5° |
CAL | CAK | H5 | 108.9° | 109.4° |
CAL | CAK | H6 | 108.9° | 109.4° |
CAK | CAL | H7 | 109.2° | 109.5° |
CAK | CAL | H8 | 109.2° | 109.5° |
OAE | NAY | CAL | 119.8° | 119.9° |
OAE | NAY | C | 117.8° | 120.0° |
NAY | OAE | H9 | 109.5° | 114.0° |
CAF | CAH | CAV | 119.8° | 120.0° |
CAF | CAH | H15 | 120.1° | 120.0° |
CAH | CAF | H16 | 119.4° | 119.9° |
CAH | CAV | CAR | 118.8° | 120.1° |
CAV | CAH | H15 | 120.1° | 120.0° |
CAV | CAR | N | 125.2° | 123.1° |
CAV | CAR | OG1 | 121.8° | 123.1° |
CAR | N | CA | 108.1° | 108.4° |
N | CAR | OG1 | 113.0° | 113.8° |
N | CA | C | 108.2° | 110.9° |
N | CA | CB | 102.7° | 102.0° |
N | CA | H10 | 110.4° | 110.9° |
CAL | NAY | C | 122.3° | 120.0° |
NAY | CAL | H7 | 109.2° | 109.4° |
NAY | CAL | H8 | 109.2° | 109.5° |
NAY | C | CA | 113.5° | 120.0° |
NAY | C | O | 121.5° | 120.0° |
CAR | OG1 | CB | 109.8° | 107.7° |
C | CA | CB | 112.5° | 110.9° |
CA | C | O | 124.9° | 120.0° |
C | CA | H10 | 112.0° | 110.7° |
CA | CB | OG1 | 106.3° | 101.4° |
CA | CB | CG2 | 111.7° | 111.0° |
CB | CA | H10 | 110.7° | 111.0° |
CA | CB | H11 | 110.6° | 111.1° |
OG1 | CB | CG2 | 106.8° | 111.1° |
OG1 | CB | H11 | 111.4° | 111.1° |
CG2 | CB | H11 | 110.0° | 110.9° |
CB | CG2 | H12 | 109.5° | 109.5° |
CB | CG2 | H13 | 109.5° | 109.5° |
CB | CG2 | H14 | 109.4° | 109.5° |
H5 | CAK | H6 | 109.5° | 109.4° |
H7 | CAL | H8 | 109.5° | 109.5° |
H12 | CG2 | H13 | 109.4° | 109.4° |
H12 | CG2 | H14 | 109.5° | 109.4° |
H13 | CG2 | H14 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAS | CAG | CAU | 178.2° | 179.7° |
OAC | CAS | CAU | OAD | 0.1° | 0.2° |
OAC | CAS | CAG | CAF | 179.2° | 180.0° |
OAC | CAS | CAU | CAV | 178.7° | 179.7° |
OAC | CAS | CAG | H17 | 0.8° | 0.0° |
CAG | CAS | CAU | OAD | 178.3° | 180.0° |
CAS | CAG | CAF | H17 | 180.0° | 180.0° |
CAG | CAS | CAU | CAV | 0.4° | 0.6° |
CAS | CAG | CAF | CAH | 0.6° | 0.1° |
CAS | CAG | CAF | H16 | 179.4° | 180.0° |
CAG | CAS | OAC | H18 | 180.0° | 90.0° |
CAS | CAU | OAD | CAV | 178.8° | 179.4° |
CAU | CAS | CAG | CAF | 1.0° | 0.3° |
CAS | CAU | CAV | CAH | 0.6° | 0.6° |
CAS | CAU | CAV | CAR | 178.1° | 179.7° |
CAU | CAS | CAG | H17 | 179.0° | 179.7° |
CAU | CAS | OAC | H18 | 1.8° | 89.7° |
CAS | CAU | OAD | H19 | 180.0° | 90.0° |
CAI | NAN | CAJ | H2 | 180.0° | 180.0° |
NAN | CAI | NAO | H3 | 180.0° | 180.0° |
CAI | NAN | CAJ | CAT | 1.3° | 0.0° |
NAN | CAI | NAO | CAT | 1.0° | 0.0° |
CAI | NAN | CAJ | H1 | 178.7° | 179.7° |
CAJ | NAN | CAI | NAO | 1.5° | 0.0° |
NAN | CAJ | CAT | H1 | 180.0° | 179.8° |
NAN | CAJ | CAT | NAO | 0.7° | 0.0° |
NAN | CAJ | CAT | CAK | 180.0° | 179.8° |
CAJ | NAN | CAI | H3 | 178.5° | 180.0° |
OAD | CAU | CAV | CAH | 179.4° | 179.9° |
OAD | CAU | CAV | CAR | 3.1° | 0.3° |
CAI | NAO | CAT | CAJ | 0.2° | 0.0° |
CAI | NAO | CAT | CAK | 179.1° | 179.7° |
NAO | CAI | NAN | H2 | 178.5° | 180.0° |
CAJ | CAT | NAO | CAK | 179.3° | 179.7° |
CAJ | CAT | CAK | CAL | 119.0° | 125.0° |
CAT | CAJ | NAN | H2 | 178.7° | 180.0° |
CAJ | CAT | CAK | H5 | 1.3° | 115.0° |
CAJ | CAT | CAK | H6 | 120.7° | 5.0° |
CAG | CAF | CAH | H16 | 180.0° | 179.9° |
CAG | CAF | CAH | CAV | 0.4° | 0.0° |
CAG | CAF | CAH | H15 | 179.6° | 180.0° |
NAO | CAT | CAK | CAL | 61.8° | 55.3° |
NAO | CAT | CAJ | H1 | 179.3° | 179.7° |
CAT | NAO | CAI | H3 | 179.0° | 180.0° |
NAO | CAT | CAK | H5 | 177.9° | 64.7° |
NAO | CAT | CAK | H6 | 58.5° | 175.3° |
CAU | CAV | CAH | CAF | 1.0° | 0.3° |
CAU | CAV | CAH | CAR | 177.6° | 179.7° |
CAU | CAV | CAR | N | 2.2° | 0.3° |
CAU | CAV | CAR | OG1 | 178.8° | 179.7° |
CAU | CAV | CAH | H15 | 179.0° | 179.7° |
CAV | CAU | OAD | H19 | 1.2° | 90.6° |
CAT | CAK | CAL | H5 | 120.3° | 120.0° |
CAT | CAK | CAL | H6 | 120.3° | 120.0° |
CAT | CAK | CAL | NAY | 57.7° | 180.0° |
CAK | CAT | CAJ | H1 | 0.0° | 0.0° |
CAT | CAK | H5 | H6 | 119.0° | 120.0° |
CAT | CAK | CAL | H7 | 62.4° | 60.0° |
CAT | CAK | CAL | H8 | 177.9° | 60.0° |
CAK | CAL | NAY | OAE | 35.3° | 105.0° |
CAK | CAL | NAY | H7 | 120.2° | 120.0° |
CAK | CAL | NAY | H8 | 120.1° | 120.0° |
CAK | CAL | NAY | C | 147.4° | 75.0° |
CAL | CAK | H5 | H6 | 119.0° | 119.9° |
CAK | CAL | H7 | H8 | 119.5° | 120.0° |
OAE | NAY | CAL | C | 177.3° | 180.0° |
OAE | NAY | C | CA | 4.8° | 4.0° |
OAE | NAY | C | O | 171.3° | 176.0° |
OAE | NAY | CAL | H7 | 155.5° | 135.0° |
OAE | NAY | CAL | H8 | 84.8° | 15.0° |
CAF | CAH | CAV | H15 | 180.0° | 180.0° |
CAF | CAH | CAV | CAR | 178.6° | 180.0° |
CAH | CAF | CAG | H17 | 179.4° | 179.9° |
CAH | CAV | CAR | N | 175.3° | 180.0° |
CAH | CAV | CAR | OG1 | 1.3° | 0.1° |
CAV | CAH | CAF | H16 | 179.6° | 180.0° |
CAV | CAR | N | OG1 | 176.9° | 180.0° |
CAV | CAR | N | CA | 176.4° | 179.6° |
CAV | CAR | OG1 | CB | 175.2° | 162.6° |
CAR | CAV | CAH | H15 | 1.4° | 0.0° |
CAR | N | CA | C | 120.1° | 133.3° |
CAR | N | CA | CB | 1.0° | 15.1° |
N | CAR | OG1 | CB | 1.8° | 17.3° |
CAR | N | CA | H10 | 117.0° | 103.2° |
N | CA | C | NAY | 59.8° | 160.6° |
CA | N | CAR | OG1 | 0.4° | 0.4° |
N | CA | C | CB | 112.7° | 112.6° |
N | CA | C | H10 | 121.9° | 123.7° |
N | CA | CB | H10 | 117.8° | 118.2° |
N | CA | C | O | 124.2° | 19.4° |
N | CA | CB | OG1 | 1.9° | 23.5° |
N | CA | CB | CG2 | 118.1° | 141.6° |
N | CA | CB | H11 | 119.1° | 94.6° |
CAL | NAY | C | CA | 177.9° | 176.0° |
CAL | NAY | C | O | 6.0° | 4.1° |
NAY | CAL | CAK | H5 | 178.1° | 60.0° |
NAY | CAL | CAK | H6 | 62.6° | 59.9° |
NAY | CAL | H7 | H8 | 119.6° | 120.0° |
CAL | NAY | OAE | H9 | 180.0° | 174.8° |
NAY | C | CA | O | 176.0° | 180.0° |
NAY | C | CA | CB | 172.6° | 86.7° |
C | NAY | CAL | H7 | 27.2° | 45.0° |
C | NAY | CAL | H8 | 92.5° | 165.0° |
C | NAY | OAE | H9 | 2.6° | 5.2° |
NAY | C | CA | H10 | 62.1° | 37.0° |
CAR | OG1 | CB | CA | 2.3° | 24.9° |
CAR | OG1 | CB | CG2 | 121.7° | 142.9° |
CAR | OG1 | CB | H11 | 118.2° | 93.2° |
C | CA | CB | H10 | 126.1° | 123.6° |
C | CA | CB | OG1 | 118.1° | 141.7° |
C | CA | CB | CG2 | 125.8° | 100.2° |
C | CA | CB | H11 | 3.0° | 23.6° |
CB | CA | C | O | 11.4° | 93.3° |
CA | CB | OG1 | CG2 | 119.4° | 118.0° |
CA | CB | OG1 | H11 | 120.5° | 118.1° |
CA | CB | CG2 | H11 | 123.2° | 124.0° |
CA | CB | CG2 | H12 | 180.0° | 63.3° |
CA | CB | CG2 | H13 | 60.0° | 176.8° |
CA | CB | CG2 | H14 | 60.0° | 56.7° |
O | C | CA | H10 | 113.9° | 143.0° |
OG1 | CB | CG2 | H11 | 121.0° | 124.0° |
OG1 | CB | CA | H10 | 115.8° | 94.7° |
OG1 | CB | CG2 | H12 | 64.2° | 48.7° |
OG1 | CB | CG2 | H13 | 175.9° | 71.2° |
OG1 | CB | CG2 | H14 | 55.9° | 168.7° |
CG2 | CB | CA | H10 | 0.3° | 23.3° |
CB | CG2 | H12 | H13 | 120.0° | 120.0° |
CB | CG2 | H12 | H14 | 120.0° | 120.0° |
CB | CG2 | H13 | H14 | 120.0° | 120.1° |
H1 | CAJ | NAN | H2 | 1.3° | 0.2° |
H2 | NAN | CAI | H3 | 1.4° | 0.0° |
H5 | CAK | CAL | H7 | 57.9° | 180.0° |
H5 | CAK | CAL | H8 | 61.8° | 60.0° |
H6 | CAK | CAL | H7 | 177.2° | 60.0° |
H6 | CAK | CAL | H8 | 57.5° | 180.0° |
H10 | CA | CB | H11 | 123.1° | 147.2° |
H11 | CB | CG2 | H12 | 56.8° | 172.8° |
H11 | CB | CG2 | H13 | 63.2° | 52.8° |
H11 | CB | CG2 | H14 | 176.9° | 67.3° |
H12 | CG2 | H13 | H14 | 120.0° | 120.0° |
H15 | CAH | CAF | H16 | 0.4° | 0.1° |
H16 | CAF | CAG | H17 | 0.6° | 0.0° |