BF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.21Å | 1.22Å | |
| C07 | C06 | sing | 1.48Å | 1.51Å | |
| C07 | CZ | sing | 1.48Å | 1.50Å | |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.40Å | 1.39Å | Aromatic |
| CE1 | CD1 | sing | 1.37Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| CZ | CE2 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | CG2 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | doub | 1.37Å | 1.38Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.39Å | Aromatic |
| CG2 | CB2 | sing | 1.47Å | 1.46Å | |
| CB2 | CA2 | doub | 1.37Å | 1.47Å | |
| CA2 | C2 | sing | 1.48Å | 1.45Å | |
| CA2 | N2 | sing | 1.37Å | 1.34Å | |
| O2 | C2 | doub | 1.22Å | 1.34Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| N2 | C1 | doub | 1.30Å | 1.38Å | |
| N3 | C1 | sing | 1.37Å | 1.36Å | |
| N3 | CA3 | sing | 1.47Å | 1.46Å | |
| C1 | CA1 | sing | 1.51Å | 1.49Å | |
| CG1 | CB1 | sing | 1.53Å | 1.51Å | |
| CA3 | C3 | sing | 1.51Å | 1.50Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | N1 | sing | 1.47Å | 1.48Å | |
| CB1 | OG1 | sing | 1.43Å | 1.44Å | |
| C3 | O3 | doub | 1.21Å | 1.22Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H22 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| CE2 | H6 | sing | 1.08Å | 1.08Å | |
| CD2 | H7 | sing | 1.08Å | 1.08Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CE1 | H9 | sing | 1.08Å | 1.08Å | |
| CB2 | H10 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H18 | sing | 1.09Å | 1.10Å | |
| CG1 | H19 | sing | 1.09Å | 1.10Å | |
| CG1 | H20 | sing | 1.09Å | 1.10Å | |
| CG1 | H21 | sing | 1.09Å | 1.10Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| OG1 | H26 | sing | 0.97Å | 0.95Å | |
| C3 | OXT | sing | 1.34Å | 1.29Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | C06 | 119.2° | 120.0° |
| O08 | C07 | CZ | 120.5° | 120.0° |
| C06 | C07 | CZ | 120.1° | 120.0° |
| C07 | C06 | C01 | 119.9° | 120.2° |
| C07 | C06 | C05 | 120.1° | 120.1° |
| C07 | CZ | CE1 | 118.4° | 120.0° |
| C07 | CZ | CE2 | 121.3° | 119.9° |
| C02 | C01 | C06 | 119.4° | 119.9° |
| C01 | C02 | C03 | 120.5° | 120.2° |
| C02 | C01 | H1 | 120.3° | 120.1° |
| C01 | C02 | H22 | 119.7° | 119.9° |
| C01 | C06 | C05 | 119.9° | 119.7° |
| C06 | C01 | H1 | 120.3° | 120.0° |
| CZ | CE1 | CD1 | 120.5° | 120.1° |
| CE1 | CZ | CE2 | 120.2° | 120.1° |
| CZ | CE1 | H9 | 119.8° | 119.9° |
| CE1 | CD1 | CG2 | 119.1° | 119.9° |
| CE1 | CD1 | H8 | 120.4° | 120.1° |
| CD1 | CE1 | H9 | 119.7° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.3° |
| C03 | C02 | H22 | 119.7° | 119.9° |
| C02 | C03 | H3 | 119.8° | 119.9° |
| C06 | C05 | C04 | 121.2° | 119.8° |
| C06 | C05 | H5 | 119.4° | 120.1° |
| CZ | CE2 | CD2 | 119.4° | 120.1° |
| CZ | CE2 | H6 | 120.3° | 120.0° |
| CD1 | CG2 | CD2 | 120.1° | 119.9° |
| CD1 | CG2 | CB2 | 117.7° | 120.0° |
| CG2 | CD1 | H8 | 120.4° | 120.0° |
| C03 | C04 | C05 | 118.4° | 120.2° |
| C04 | C03 | H3 | 119.7° | 119.9° |
| C03 | C04 | H4 | 120.8° | 119.9° |
| C05 | C04 | H4 | 120.8° | 120.0° |
| C04 | C05 | H5 | 119.4° | 120.1° |
| CE2 | CD2 | CG2 | 120.3° | 120.0° |
| CD2 | CE2 | H6 | 120.3° | 119.9° |
| CE2 | CD2 | H7 | 119.9° | 120.1° |
| CD2 | CG2 | CB2 | 120.8° | 120.0° |
| CG2 | CD2 | H7 | 119.9° | 120.0° |
| CG2 | CB2 | CA2 | 127.2° | 120.1° |
| CG2 | CB2 | H10 | 116.4° | 120.0° |
| CB2 | CA2 | C2 | 127.8° | 127.2° |
| CB2 | CA2 | N2 | 126.2° | 127.1° |
| CA2 | CB2 | H10 | 116.4° | 119.9° |
| C2 | CA2 | N2 | 105.9° | 105.7° |
| CA2 | C2 | O2 | 125.5° | 127.4° |
| CA2 | C2 | N3 | 109.5° | 105.2° |
| CA2 | N2 | C1 | 106.9° | 109.3° |
| O2 | C2 | N3 | 124.9° | 127.5° |
| C2 | N3 | C1 | 106.3° | 108.4° |
| C2 | N3 | CA3 | 123.7° | 125.8° |
| N2 | C1 | N3 | 111.3° | 111.5° |
| N2 | C1 | CA1 | 125.6° | 124.3° |
| C1 | N3 | CA3 | 129.9° | 125.8° |
| N3 | C1 | CA1 | 123.1° | 124.3° |
| N3 | CA3 | C3 | 121.3° | 109.5° |
| N3 | CA3 | HA31 | 106.5° | 109.5° |
| N3 | CA3 | HA32 | 106.4° | 109.4° |
| C1 | CA1 | CB1 | 113.5° | 109.5° |
| C1 | CA1 | N1 | 108.0° | 109.5° |
| C1 | CA1 | HA1 | 108.0° | 109.5° |
| CG1 | CB1 | CA1 | 113.1° | 109.5° |
| CG1 | CB1 | OG1 | 106.8° | 109.5° |
| CG1 | CB1 | H18 | 108.8° | 109.5° |
| CB1 | CG1 | H19 | 109.5° | 109.4° |
| CB1 | CG1 | H20 | 109.5° | 109.4° |
| CB1 | CG1 | H21 | 109.5° | 109.5° |
| CA3 | C3 | O3 | 114.0° | 120.0° |
| C3 | CA3 | HA31 | 106.4° | 109.5° |
| C3 | CA3 | HA32 | 106.4° | 109.5° |
| CA3 | C3 | OXT | 113.5° | 120.0° |
| CB1 | CA1 | N1 | 111.6° | 109.5° |
| CA1 | CB1 | OG1 | 110.0° | 109.4° |
| CB1 | CA1 | HA1 | 107.5° | 109.5° |
| CA1 | CB1 | H18 | 108.4° | 109.5° |
| N1 | CA1 | HA1 | 108.1° | 109.4° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| CA1 | N1 | H | 109.5° | 111.0° |
| OG1 | CB1 | H18 | 109.7° | 109.5° |
| CB1 | OG1 | H26 | 109.5° | 114.0° |
| O3 | C3 | OXT | 131.9° | 120.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.4° |
| H19 | CG1 | H20 | 109.5° | 109.5° |
| H19 | CG1 | H21 | 109.4° | 109.5° |
| H20 | CG1 | H21 | 109.5° | 109.5° |
| H2 | N1 | H | 109.4° | 111.0° |
| C3 | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | C06 | CZ | 174.9° | 179.9° |
| O08 | C07 | C06 | C01 | 31.3° | 154.2° |
| O08 | C07 | CZ | CE1 | 33.2° | 160.4° |
| O08 | C07 | C06 | C05 | 145.6° | 25.8° |
| O08 | C07 | CZ | CE2 | 147.7° | 19.3° |
| C07 | C06 | C01 | C02 | 178.8° | 180.0° |
| C07 | C06 | C01 | C05 | 176.9° | 179.9° |
| C06 | C07 | CZ | CE1 | 141.7° | 19.5° |
| C06 | C07 | CZ | CE2 | 37.5° | 160.8° |
| C07 | C06 | C05 | C04 | 178.6° | 180.0° |
| C07 | C06 | C01 | H1 | 1.3° | 0.3° |
| C07 | C06 | C05 | H5 | 1.4° | 0.0° |
| CZ | C07 | C06 | C01 | 153.7° | 25.9° |
| C07 | CZ | CE1 | CE2 | 179.2° | 179.7° |
| C07 | CZ | CE1 | CD1 | 179.2° | 179.8° |
| CZ | C07 | C06 | C05 | 29.4° | 154.2° |
| C07 | CZ | CE2 | CD2 | 178.7° | 180.0° |
| C07 | CZ | CE2 | H6 | 1.3° | 0.1° |
| C07 | CZ | CE1 | H9 | 0.8° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | H22 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 1.9° | 0.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.1° |
| C01 | C02 | C03 | H3 | 179.4° | 180.0° |
| C06 | C01 | C02 | C03 | 1.3° | 0.0° |
| C01 | C06 | C05 | C04 | 1.7° | 0.0° |
| C06 | C01 | C02 | H22 | 178.7° | 180.0° |
| C01 | C06 | C05 | H5 | 178.3° | 179.9° |
| CZ | CE1 | CD1 | H9 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | CG2 | 3.0° | 0.5° |
| CE1 | CZ | CE2 | CD2 | 0.4° | 0.3° |
| CE1 | CZ | CE2 | H6 | 179.6° | 179.8° |
| CZ | CE1 | CD1 | H8 | 177.0° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.5° |
| CE1 | CD1 | CG2 | H8 | 180.0° | 179.8° |
| CE1 | CD1 | CG2 | CD2 | 6.5° | 0.2° |
| CE1 | CD1 | CG2 | CB2 | 173.8° | 179.8° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.4° | 0.1° |
| C03 | C02 | C01 | H1 | 178.7° | 179.7° |
| C02 | C03 | C04 | H4 | 179.6° | 180.0° |
| C06 | C05 | C04 | C03 | 1.0° | 0.0° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C05 | C06 | C01 | H1 | 178.2° | 179.7° |
| C06 | C05 | C04 | H4 | 179.0° | 180.0° |
| CZ | CE2 | CD2 | H6 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG2 | 4.0° | 0.1° |
| CZ | CE2 | CD2 | H7 | 176.0° | 180.0° |
| CE2 | CZ | CE1 | H9 | 179.9° | 179.7° |
| CD1 | CG2 | CD2 | CE2 | 7.1° | 0.0° |
| CD1 | CG2 | CD2 | CB2 | 166.8° | 180.0° |
| CD1 | CG2 | CB2 | CA2 | 174.0° | 174.0° |
| CD1 | CG2 | CD2 | H7 | 172.9° | 179.9° |
| CG2 | CD1 | CE1 | H9 | 177.0° | 179.7° |
| CD1 | CG2 | CB2 | H10 | 6.0° | 5.9° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | H22 | 179.4° | 180.0° |
| C03 | C04 | C05 | H5 | 179.0° | 180.0° |
| C05 | C04 | C03 | H3 | 179.6° | 179.9° |
| CE2 | CD2 | CG2 | H7 | 180.0° | 179.9° |
| CE2 | CD2 | CG2 | CB2 | 173.9° | 180.0° |
| CD2 | CG2 | CB2 | CA2 | 6.9° | 6.0° |
| CG2 | CD2 | CE2 | H6 | 176.0° | 180.0° |
| CD2 | CG2 | CD1 | H8 | 173.4° | 180.0° |
| CD2 | CG2 | CB2 | H10 | 173.1° | 174.1° |
| CG2 | CB2 | CA2 | H10 | 180.0° | 180.0° |
| CG2 | CB2 | CA2 | C2 | 173.0° | 174.6° |
| CG2 | CB2 | CA2 | N2 | 11.6° | 5.7° |
| CB2 | CG2 | CD2 | H7 | 6.1° | 0.1° |
| CB2 | CG2 | CD1 | H8 | 6.2° | 0.0° |
| CB2 | CA2 | C2 | N2 | 176.2° | 179.8° |
| CB2 | CA2 | C2 | O2 | 3.5° | 0.0° |
| CB2 | CA2 | C2 | N3 | 176.7° | 180.0° |
| CB2 | CA2 | N2 | C1 | 177.1° | 180.0° |
| CA2 | C2 | O2 | N3 | 179.8° | 180.0° |
| C2 | CA2 | N2 | C1 | 0.9° | 0.3° |
| CA2 | C2 | N3 | C1 | 0.0° | 0.1° |
| CA2 | C2 | N3 | CA3 | 177.2° | 180.0° |
| C2 | CA2 | CB2 | H10 | 7.0° | 5.4° |
| N2 | CA2 | C2 | O2 | 179.6° | 179.8° |
| N2 | CA2 | C2 | N3 | 0.6° | 0.2° |
| CA2 | N2 | C1 | N3 | 1.0° | 0.2° |
| CA2 | N2 | C1 | CA1 | 178.5° | 179.9° |
| N2 | CA2 | CB2 | H10 | 168.4° | 174.3° |
| O2 | C2 | N3 | C1 | 179.8° | 179.9° |
| O2 | C2 | N3 | CA3 | 2.6° | 0.0° |
| C2 | N3 | C1 | N2 | 0.6° | 0.0° |
| C2 | N3 | C1 | CA3 | 177.0° | 179.9° |
| C2 | N3 | C1 | CA1 | 178.9° | 179.8° |
| C2 | N3 | CA3 | C3 | 90.5° | 89.9° |
| C2 | N3 | CA3 | HA31 | 31.2° | 30.1° |
| C2 | N3 | CA3 | HA32 | 147.9° | 150.0° |
| N2 | C1 | N3 | CA1 | 179.5° | 179.8° |
| N2 | C1 | N3 | CA3 | 177.6° | 179.8° |
| N2 | C1 | CA1 | CB1 | 26.6° | 85.0° |
| N2 | C1 | CA1 | N1 | 97.7° | 35.0° |
| N2 | C1 | CA1 | HA1 | 145.6° | 154.9° |
| C1 | N3 | CA3 | C3 | 93.0° | 89.9° |
| N3 | C1 | CA1 | CB1 | 154.0° | 95.2° |
| N3 | C1 | CA1 | N1 | 81.7° | 144.8° |
| C1 | N3 | CA3 | HA31 | 145.3° | 150.1° |
| C1 | N3 | CA3 | HA32 | 28.6° | 30.2° |
| N3 | C1 | CA1 | HA1 | 35.0° | 24.8° |
| CA3 | N3 | C1 | CA1 | 1.9° | 0.1° |
| N3 | CA3 | C3 | HA31 | 121.7° | 120.0° |
| N3 | CA3 | C3 | HA32 | 121.6° | 120.0° |
| N3 | CA3 | C3 | O3 | 159.8° | 0.1° |
| N3 | CA3 | HA31 | HA32 | 114.7° | 119.9° |
| N3 | CA3 | C3 | OXT | 28.3° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 63.8° | 180.0° |
| C1 | CA1 | CB1 | N1 | 122.3° | 120.0° |
| C1 | CA1 | CB1 | HA1 | 119.3° | 120.0° |
| C1 | CA1 | N1 | HA1 | 116.6° | 120.0° |
| C1 | CA1 | CB1 | OG1 | 177.0° | 60.0° |
| C1 | CA1 | CB1 | H18 | 57.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 180.0° | 60.0° |
| C1 | CA1 | N1 | H | 60.0° | 176.0° |
| CG1 | CB1 | CA1 | OG1 | 119.2° | 120.0° |
| CG1 | CB1 | CA1 | H18 | 120.7° | 120.0° |
| CG1 | CB1 | CA1 | N1 | 58.5° | 60.0° |
| CG1 | CB1 | OG1 | H18 | 117.8° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 176.9° | 60.0° |
| CB1 | CG1 | H19 | H20 | 120.0° | 119.9° |
| CB1 | CG1 | H19 | H21 | 120.0° | 120.0° |
| CB1 | CG1 | H20 | H21 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H26 | 180.0° | 60.0° |
| CA3 | C3 | O3 | OXT | 170.1° | 179.9° |
| C3 | CA3 | HA31 | HA32 | 114.7° | 120.1° |
| CA3 | C3 | OXT | HXT | 170.1° | 179.9° |
| CB1 | CA1 | N1 | HA1 | 118.0° | 120.0° |
| CA1 | CB1 | OG1 | H18 | 119.2° | 120.0° |
| CA1 | CB1 | CG1 | H19 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | H20 | 60.0° | 180.0° |
| CA1 | CB1 | CG1 | H21 | 60.0° | 60.0° |
| CB1 | CA1 | N1 | H2 | 54.6° | 60.0° |
| CB1 | CA1 | N1 | H | 174.6° | 64.0° |
| CA1 | CB1 | OG1 | H26 | 57.0° | 60.0° |
| N1 | CA1 | CB1 | OG1 | 60.7° | 180.0° |
| N1 | CA1 | CB1 | H18 | 179.3° | 60.0° |
| CA1 | N1 | H2 | H | 120.0° | 124.0° |
| OG1 | CB1 | CA1 | HA1 | 57.7° | 60.0° |
| OG1 | CB1 | CG1 | H19 | 58.9° | 180.0° |
| OG1 | CB1 | CG1 | H20 | 61.1° | 60.0° |
| OG1 | CB1 | CG1 | H21 | 178.9° | 60.0° |
| O3 | C3 | CA3 | HA31 | 38.1° | 120.1° |
| O3 | C3 | CA3 | HA32 | 78.6° | 119.9° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| H1 | C01 | C02 | H22 | 1.3° | 0.3° |
| H22 | C02 | C03 | H3 | 0.5° | 0.1° |
| H3 | C03 | C04 | H4 | 0.4° | 0.1° |
| H4 | C04 | C05 | H5 | 1.0° | 0.0° |
| H6 | CE2 | CD2 | H7 | 4.0° | 0.1° |
| H8 | CD1 | CE1 | H9 | 3.0° | 0.1° |
| HA31 | CA3 | C3 | OXT | 149.9° | 60.0° |
| HA32 | CA3 | C3 | OXT | 93.3° | 60.0° |
| HA1 | CA1 | CB1 | H18 | 62.3° | 180.0° |
| HA1 | CA1 | N1 | H2 | 63.4° | 180.0° |
| HA1 | CA1 | N1 | H | 56.6° | 56.0° |
| H18 | CB1 | CG1 | H19 | 59.5° | 60.0° |
| H18 | CB1 | CG1 | H20 | 179.5° | 60.0° |
| H18 | CB1 | CG1 | H21 | 60.5° | 180.0° |
| H18 | CB1 | OG1 | H26 | 62.3° | 180.0° |
| H19 | CG1 | H20 | H21 | 119.9° | 120.1° |
