BFC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | CA | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.23Å | 1.23Å | |
C | H | sing | 1.10Å | 1.08Å | |
CA | CB | sing | 1.53Å | 1.56Å | |
CA | HA1 | sing | 1.10Å | 1.10Å | |
CA | HA2 | sing | 1.10Å | 1.10Å | |
CB | OB | sing | 1.43Å | 1.40Å | |
CB | CC | sing | 1.53Å | 1.55Å | |
CB | HB | sing | 1.10Å | 1.10Å | |
OB | HOB | sing | 0.97Å | 0.95Å | |
CC | CD | sing | 1.53Å | 1.54Å | |
CC | HC1 | sing | 1.10Å | 1.10Å | |
CC | HC2 | sing | 1.10Å | 1.10Å | |
CD | CE | sing | 1.53Å | 1.54Å | |
CD | HD1 | sing | 1.10Å | 1.10Å | |
CD | HD2 | sing | 1.10Å | 1.10Å | |
CE | CF | sing | 1.53Å | 1.54Å | |
CE | HE1 | sing | 1.10Å | 1.10Å | |
CE | HE2 | sing | 1.10Å | 1.10Å | |
CF | CG | sing | 1.53Å | 1.54Å | |
CF | HF1 | sing | 1.10Å | 1.10Å | |
CF | HF2 | sing | 1.10Å | 1.10Å | |
CG | CH | sing | 1.53Å | 1.54Å | |
CG | HG1 | sing | 1.10Å | 1.10Å | |
CG | HG2 | sing | 1.10Å | 1.10Å | |
CH | CI | sing | 1.53Å | 1.53Å | |
CH | HH1 | sing | 1.10Å | 1.10Å | |
CH | HH2 | sing | 1.10Å | 1.10Å | |
CI | CJ | sing | 1.53Å | 1.54Å | |
CI | HI1 | sing | 1.10Å | 1.10Å | |
CI | HI2 | sing | 1.10Å | 1.10Å | |
CJ | CK | sing | 1.53Å | 1.54Å | |
CJ | HJ1 | sing | 1.10Å | 1.10Å | |
CJ | HJ2 | sing | 1.10Å | 1.10Å | |
CK | CL | sing | 1.53Å | 1.54Å | |
CK | HK1 | sing | 1.10Å | 1.10Å | |
CK | HK2 | sing | 1.10Å | 1.10Å | |
CL | CM | sing | 1.52Å | 1.53Å | |
CL | HL1 | sing | 1.10Å | 1.10Å | |
CL | HL2 | sing | 1.10Å | 1.10Å | |
CM | HM1 | sing | 1.10Å | 1.10Å | |
CM | HM2 | sing | 1.09Å | 1.10Å | |
CM | HM3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | C | O | 119.4° | 123.3° |
CA | C | H | 120.3° | 115.9° |
C | CA | CB | 115.5° | 110.6° |
C | CA | HA1 | 107.5° | 106.7° |
C | CA | HA2 | 106.2° | 108.4° |
O | C | H | 120.3° | 120.7° |
CB | CA | HA1 | 107.5° | 111.0° |
CB | CA | HA2 | 106.1° | 111.1° |
CA | CB | OB | 111.5° | 109.0° |
CA | CB | CC | 108.0° | 110.8° |
CA | CB | HB | 109.2° | 110.9° |
HA1 | CA | HA2 | 114.3° | 108.9° |
OB | CB | CC | 109.5° | 108.4° |
OB | CB | HB | 107.6° | 107.9° |
CB | OB | HOB | 109.5° | 106.4° |
CC | CB | HB | 111.1° | 109.7° |
CB | CC | CD | 113.7° | 112.1° |
CB | CC | HC1 | 108.1° | 109.0° |
CB | CC | HC2 | 107.2° | 109.5° |
CD | CC | HC1 | 108.1° | 109.1° |
CD | CC | HC2 | 107.1° | 109.3° |
CC | CD | CE | 113.1° | 113.3° |
CC | CD | HD1 | 108.3° | 109.0° |
CC | CD | HD2 | 107.4° | 110.3° |
HC1 | CC | HC2 | 112.8° | 107.7° |
CE | CD | HD1 | 108.3° | 107.9° |
CE | CD | HD2 | 107.4° | 109.8° |
CD | CE | CF | 114.4° | 115.8° |
CD | CE | HE1 | 107.8° | 108.4° |
CD | CE | HE2 | 106.7° | 108.9° |
HD1 | CD | HD2 | 112.4° | 106.2° |
CF | CE | HE1 | 107.9° | 108.8° |
CF | CE | HE2 | 106.7° | 108.3° |
CE | CF | CG | 115.2° | 113.5° |
CE | CF | HF1 | 107.6° | 107.9° |
CE | CF | HF2 | 106.3° | 110.0° |
HE1 | CE | HE2 | 113.4° | 106.2° |
CG | CF | HF1 | 107.6° | 109.1° |
CG | CF | HF2 | 106.3° | 109.9° |
CF | CG | CH | 114.0° | 111.1° |
CF | CG | HG1 | 108.0° | 110.0° |
CF | CG | HG2 | 107.0° | 109.0° |
HF1 | CF | HF2 | 114.1° | 106.2° |
CH | CG | HG1 | 108.0° | 109.1° |
CH | CG | HG2 | 107.0° | 110.1° |
CG | CH | CI | 113.2° | 113.4° |
CG | CH | HH1 | 108.2° | 109.0° |
CG | CH | HH2 | 107.4° | 109.7° |
HG1 | CG | HG2 | 113.1° | 107.5° |
CI | CH | HH1 | 108.2° | 108.1° |
CI | CH | HH2 | 107.4° | 109.5° |
CH | CI | CJ | 112.5° | 113.5° |
CH | CI | HI1 | 108.5° | 109.6° |
CH | CI | HI2 | 107.8° | 108.1° |
HH1 | CH | HH2 | 112.4° | 106.8° |
CJ | CI | HI1 | 108.5° | 109.6° |
CJ | CI | HI2 | 107.8° | 109.0° |
CI | CJ | CK | 113.3° | 111.3° |
CI | CJ | HJ1 | 108.2° | 110.0° |
CI | CJ | HJ2 | 107.4° | 109.6° |
HI1 | CI | HI2 | 111.8° | 106.7° |
CK | CJ | HJ1 | 108.2° | 109.1° |
CK | CJ | HJ2 | 107.4° | 109.5° |
CJ | CK | CL | 113.0° | 111.3° |
CJ | CK | HK1 | 108.3° | 109.5° |
CJ | CK | HK2 | 107.5° | 109.6° |
HJ1 | CJ | HJ2 | 112.4° | 107.3° |
CL | CK | HK1 | 108.3° | 109.6° |
CL | CK | HK2 | 107.5° | 109.6° |
CK | CL | CM | 113.8° | 111.5° |
CK | CL | HL1 | 108.1° | 109.9° |
CK | CL | HL2 | 107.0° | 109.8° |
HK1 | CK | HK2 | 112.3° | 107.1° |
CM | CL | HL1 | 108.0° | 109.2° |
CM | CL | HL2 | 107.0° | 109.1° |
CL | CM | HM1 | 109.5° | 111.0° |
CL | CM | HM2 | 109.5° | 110.3° |
CL | CM | HM3 | 109.5° | 111.0° |
HL1 | CL | HL2 | 113.0° | 107.2° |
HM1 | CM | HM2 | 109.5° | 108.0° |
HM1 | CM | HM3 | 109.4° | 108.3° |
HM2 | CM | HM3 | 109.5° | 108.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | C | O | H | 180.0° | 177.4° |
C | CA | CB | HA1 | 120.0° | 118.2° |
C | CA | CB | HA2 | 117.3° | 120.5° |
C | CA | HA1 | HA2 | 117.6° | 116.8° |
C | CA | CB | OB | 71.7° | 58.7° |
C | CA | CB | CC | 168.0° | 177.9° |
C | CA | CB | HB | 47.1° | 60.0° |
O | C | CA | CB | 167.8° | 119.2° |
O | C | CA | HA1 | 72.2° | 120.0° |
O | C | CA | HA2 | 50.5° | 2.9° |
H | C | CA | CB | 12.2° | 63.3° |
H | C | CA | HA1 | 107.8° | 57.5° |
H | C | CA | HA2 | 129.5° | 174.6° |
CB | CA | HA1 | HA2 | 117.5° | 122.6° |
CA | CB | OB | CC | 119.4° | 120.7° |
CA | CB | OB | HB | 119.7° | 120.5° |
CA | CB | CC | HB | 119.7° | 122.8° |
CA | CB | OB | HOB | 38.5° | 2.7° |
CA | CB | CC | CD | 163.3° | 179.2° |
CA | CB | CC | HC1 | 76.7° | 59.9° |
CA | CB | CC | HC2 | 45.1° | 57.7° |
HA1 | CA | CB | OB | 48.3° | 176.9° |
HA1 | CA | CB | CC | 72.0° | 63.9° |
HA1 | CA | CB | HB | 167.1° | 58.2° |
HA2 | CA | CB | OB | 171.0° | 61.8° |
HA2 | CA | CB | CC | 50.7° | 57.4° |
HA2 | CA | CB | HB | 70.2° | 179.6° |
OB | CB | CC | HB | 118.8° | 117.6° |
OB | CB | CC | CD | 75.2° | 61.2° |
OB | CB | CC | HC1 | 44.8° | 59.7° |
OB | CB | CC | HC2 | 166.6° | 177.3° |
CC | CB | OB | HOB | 157.9° | 118.0° |
CB | CC | CD | HC1 | 120.0° | 120.8° |
CB | CC | CD | HC2 | 118.2° | 121.6° |
CB | CC | HC1 | HC2 | 118.3° | 118.8° |
CB | CC | CD | CE | 76.3° | 179.2° |
CB | CC | CD | HD1 | 43.7° | 59.0° |
CB | CC | CD | HD2 | 165.3° | 57.2° |
HB | CB | OB | HOB | 81.2° | 123.2° |
HB | CB | CC | CD | 43.6° | 56.4° |
HB | CB | CC | HC1 | 163.6° | 177.2° |
HB | CB | CC | HC2 | 74.6° | 65.1° |
CD | CC | HC1 | HC2 | 118.3° | 118.6° |
CC | CD | CE | HD1 | 120.0° | 120.8° |
CC | CD | CE | HD2 | 118.4° | 123.8° |
CC | CD | HD1 | HD2 | 118.5° | 118.8° |
CC | CD | CE | CF | 178.9° | 179.2° |
CC | CD | CE | HE1 | 61.0° | 58.2° |
CC | CD | CE | HE2 | 61.2° | 56.9° |
HC1 | CC | CD | CE | 163.7° | 60.0° |
HC1 | CC | CD | HD1 | 76.3° | 179.8° |
HC1 | CC | CD | HD2 | 45.3° | 63.6° |
HC2 | CC | CD | CE | 41.9° | 57.5° |
HC2 | CC | CD | HD1 | 161.9° | 62.6° |
HC2 | CC | CD | HD2 | 76.5° | 178.8° |
CE | CD | HD1 | HD2 | 118.5° | 117.7° |
CD | CE | CF | HE1 | 120.0° | 122.4° |
CD | CE | CF | HE2 | 117.8° | 122.6° |
CD | CE | HE1 | HE2 | 118.0° | 116.8° |
CD | CE | CF | CG | 69.7° | 177.6° |
CD | CE | CF | HF1 | 50.2° | 56.7° |
CD | CE | CF | HF2 | 172.9° | 58.8° |
HD1 | CD | CE | CF | 58.9° | 60.0° |
HD1 | CD | CE | HE1 | 179.0° | 62.6° |
HD1 | CD | CE | HE2 | 58.8° | 177.7° |
HD2 | CD | CE | CF | 62.7° | 55.4° |
HD2 | CD | CE | HE1 | 57.3° | 178.0° |
HD2 | CD | CE | HE2 | 179.5° | 66.9° |
CF | CE | HE1 | HE2 | 117.9° | 116.4° |
CE | CF | CG | HF1 | 120.0° | 120.3° |
CE | CF | CG | HF2 | 117.4° | 123.6° |
CE | CF | HF1 | HF2 | 117.7° | 117.9° |
CE | CF | CG | CH | 62.9° | 179.7° |
CE | CF | CG | HG1 | 177.1° | 58.8° |
CE | CF | CG | HG2 | 55.1° | 58.8° |
HE1 | CE | CF | CG | 170.2° | 60.0° |
HE1 | CE | CF | HF1 | 69.8° | 179.1° |
HE1 | CE | CF | HF2 | 52.9° | 63.6° |
HE2 | CE | CF | CG | 48.1° | 55.1° |
HE2 | CE | CF | HF1 | 168.0° | 65.9° |
HE2 | CE | CF | HF2 | 69.3° | 178.6° |
CG | CF | HF1 | HF2 | 117.6° | 118.4° |
CF | CG | CH | HG1 | 120.0° | 121.4° |
CF | CG | CH | HG2 | 118.0° | 120.9° |
CF | CG | HG1 | HG2 | 118.2° | 118.6° |
CF | CG | CH | CI | 176.1° | 178.5° |
CF | CG | CH | HH1 | 63.9° | 60.9° |
CF | CG | CH | HH2 | 57.7° | 55.7° |
HF1 | CF | CG | CH | 177.1° | 60.0° |
HF1 | CF | CG | HG1 | 57.1° | 179.1° |
HF1 | CF | CG | HG2 | 64.9° | 61.5° |
HF2 | CF | CG | CH | 54.5° | 56.0° |
HF2 | CF | CG | HG1 | 65.5° | 64.9° |
HF2 | CF | CG | HG2 | 172.5° | 177.5° |
CH | CG | HG1 | HG2 | 118.2° | 119.3° |
CG | CH | CI | HH1 | 120.0° | 121.0° |
CG | CH | CI | HH2 | 118.4° | 123.0° |
CG | CH | HH1 | HH2 | 118.5° | 118.5° |
CG | CH | CI | CJ | 177.6° | 178.9° |
CG | CH | CI | HI1 | 62.4° | 56.0° |
CG | CH | CI | HI2 | 58.9° | 60.0° |
HG1 | CG | CH | CI | 56.1° | 60.0° |
HG1 | CG | CH | HH1 | 176.1° | 60.5° |
HG1 | CG | CH | HH2 | 62.3° | 177.1° |
HG2 | CG | CH | CI | 65.9° | 57.7° |
HG2 | CG | CH | HH1 | 54.1° | 178.2° |
HG2 | CG | CH | HH2 | 175.8° | 65.2° |
CI | CH | HH1 | HH2 | 118.5° | 117.8° |
CH | CI | CJ | HI1 | 120.0° | 123.0° |
CH | CI | CJ | HI2 | 118.7° | 120.6° |
CH | CI | HI1 | HI2 | 118.8° | 116.9° |
CH | CI | CJ | CK | 179.4° | 177.0° |
CH | CI | CJ | HJ1 | 59.4° | 62.0° |
CH | CI | CJ | HJ2 | 62.2° | 55.8° |
HH1 | CH | CI | CJ | 57.6° | 60.0° |
HH1 | CH | CI | HI1 | 177.6° | 177.0° |
HH1 | CH | CI | HI2 | 61.1° | 61.0° |
HH2 | CH | CI | CJ | 64.0° | 56.0° |
HH2 | CH | CI | HI1 | 56.0° | 67.0° |
HH2 | CH | CI | HI2 | 177.2° | 177.0° |
CJ | CI | HI1 | HI2 | 118.8° | 117.9° |
CI | CJ | CK | HJ1 | 120.0° | 121.6° |
CI | CJ | CK | HJ2 | 118.4° | 121.3° |
CI | CJ | HJ1 | HJ2 | 118.5° | 119.1° |
CI | CJ | CK | CL | 176.9° | 178.5° |
CI | CJ | CK | HK1 | 57.0° | 60.2° |
CI | CJ | CK | HK2 | 64.6° | 57.0° |
HI1 | CI | CJ | CK | 60.6° | 60.0° |
HI1 | CI | CJ | HJ1 | 179.4° | 61.0° |
HI1 | CI | CJ | HJ2 | 57.8° | 178.7° |
HI2 | CI | CJ | CK | 60.7° | 56.5° |
HI2 | CI | CJ | HJ1 | 59.3° | 177.5° |
HI2 | CI | CJ | HJ2 | 179.0° | 64.8° |
CK | CJ | HJ1 | HJ2 | 118.4° | 118.6° |
CJ | CK | CL | HK1 | 120.0° | 121.3° |
CJ | CK | CL | HK2 | 118.5° | 121.5° |
CJ | CK | HK1 | HK2 | 118.6° | 118.8° |
CJ | CK | CL | CM | 178.6° | 178.7° |
CJ | CK | CL | HL1 | 58.6° | 60.1° |
CJ | CK | CL | HL2 | 63.3° | 57.5° |
HJ1 | CJ | CK | CL | 63.1° | 59.9° |
HJ1 | CJ | CK | HK1 | 176.9° | 61.4° |
HJ1 | CJ | CK | HK2 | 55.4° | 178.6° |
HJ2 | CJ | CK | CL | 58.5° | 57.2° |
HJ2 | CJ | CK | HK1 | 61.4° | 178.5° |
HJ2 | CJ | CK | HK2 | 177.0° | 64.2° |
CL | CK | HK1 | HK2 | 118.6° | 118.8° |
CK | CL | CM | HL1 | 120.0° | 121.6° |
CK | CL | CM | HL2 | 118.1° | 121.5° |
CK | CL | HL1 | HL2 | 118.2° | 119.3° |
CK | CL | CM | HM1 | 158.9° | 60.4° |
CK | CL | CM | HM2 | 38.9° | 179.9° |
CK | CL | CM | HM3 | 81.1° | 60.2° |
HK1 | CK | CL | CM | 61.4° | 60.0° |
HK1 | CK | CL | HL1 | 178.6° | 61.2° |
HK1 | CK | CL | HL2 | 56.7° | 178.8° |
HK2 | CK | CL | CM | 60.2° | 57.2° |
HK2 | CK | CL | HL1 | 59.8° | 178.4° |
HK2 | CK | CL | HL2 | 178.2° | 63.9° |
CM | CL | HL1 | HL2 | 118.2° | 118.1° |
CL | CM | HM1 | HM2 | 120.0° | 121.0° |
CL | CM | HM1 | HM3 | 120.0° | 122.2° |
CL | CM | HM2 | HM3 | 120.0° | 121.5° |
HL1 | CL | CM | HM1 | 81.1° | 61.2° |
HL1 | CL | CM | HM2 | 159.0° | 58.5° |
HL1 | CL | CM | HM3 | 38.9° | 178.2° |
HL2 | CL | CM | HM1 | 40.9° | 178.1° |
HL2 | CL | CM | HM2 | 79.1° | 58.4° |
HL2 | CL | CM | HM3 | 160.8° | 61.3° |
HM1 | CM | HM2 | HM3 | 120.0° | 117.0° |