SB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FA1 | CA2 | sing | 1.35Å | 1.36Å | |
| CA1 | CA2 | doub | 1.39Å | 1.42Å | Aromatic |
| CA1 | CA6 | sing | 1.38Å | 1.42Å | Aromatic |
| CA1 | HCA1 | sing | 1.08Å | 1.10Å | |
| CA2 | CA3 | sing | 1.38Å | 1.43Å | Aromatic |
| CA3 | CA4 | doub | 1.38Å | 1.42Å | Aromatic |
| CA3 | HCA3 | sing | 1.08Å | 1.10Å | |
| CA4 | CA5 | sing | 1.39Å | 1.45Å | Aromatic |
| CA4 | HCA4 | sing | 1.08Å | 1.10Å | |
| CA5 | CA6 | doub | 1.39Å | 1.43Å | Aromatic |
| CA5 | CC3 | sing | 1.48Å | 1.44Å | Aromatic |
| CA6 | HCA6 | sing | 1.08Å | 1.10Å | |
| CB1 | NB2 | doub | 1.32Å | 1.35Å | Aromatic |
| CB1 | CB6 | sing | 1.38Å | 1.42Å | Aromatic |
| CB1 | HCB1 | sing | 1.08Å | 1.10Å | |
| NB2 | CB3 | sing | 1.32Å | 1.35Å | Aromatic |
| CB3 | CB4 | doub | 1.38Å | 1.42Å | Aromatic |
| CB3 | HCB3 | sing | 1.08Å | 1.10Å | |
| CB4 | CB5 | sing | 1.40Å | 1.44Å | Aromatic |
| CB4 | HCB4 | sing | 1.08Å | 1.10Å | |
| CB5 | CB6 | doub | 1.40Å | 1.44Å | Aromatic |
| CB5 | CC2 | sing | 1.48Å | 1.44Å | Aromatic |
| CB6 | HCB6 | sing | 1.08Å | 1.10Å | |
| NC1 | CC2 | sing | 1.38Å | 1.45Å | Aromatic |
| NC1 | CC5 | sing | 1.35Å | 1.39Å | Aromatic |
| NC1 | CD1 | sing | 1.47Å | 1.53Å | |
| CC2 | CC3 | doub | 1.38Å | 1.51Å | Aromatic |
| CC3 | NC4 | sing | 1.35Å | 1.41Å | Aromatic |
| NC4 | CC5 | doub | 1.30Å | 1.37Å | Aromatic |
| CC5 | HCC5 | sing | 1.08Å | 1.10Å | |
| CD1 | CE1 | sing | 1.53Å | 1.58Å | |
| CD1 | HCD1 | sing | 1.09Å | 1.12Å | |
| CD1 | HCD2 | sing | 1.09Å | 1.11Å | |
| CE1 | CE2 | sing | 1.53Å | 1.55Å | |
| CE1 | CE3 | sing | 1.53Å | 1.54Å | |
| CE1 | HCE1 | sing | 1.09Å | 1.11Å | |
| CE2 | CE3 | sing | 1.53Å | 1.53Å | |
| CE2 | HE21 | sing | 1.09Å | 1.11Å | |
| CE2 | HE22 | sing | 1.09Å | 1.12Å | |
| CE3 | HE31 | sing | 1.09Å | 1.11Å | |
| CE3 | HE32 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FA1 | CA2 | CA1 | 119.2° | 119.9° |
| FA1 | CA2 | CA3 | 120.4° | 119.9° |
| CA2 | CA1 | CA6 | 120.3° | 120.1° |
| CA2 | CA1 | HCA1 | 119.8° | 119.9° |
| CA1 | CA2 | CA3 | 120.4° | 120.2° |
| CA6 | CA1 | HCA1 | 119.9° | 120.0° |
| CA1 | CA6 | CA5 | 121.2° | 119.9° |
| CA1 | CA6 | HCA6 | 118.8° | 120.0° |
| CA2 | CA3 | CA4 | 119.5° | 120.1° |
| CA2 | CA3 | HCA3 | 120.3° | 119.9° |
| CA4 | CA3 | HCA3 | 120.1° | 120.0° |
| CA3 | CA4 | CA5 | 121.0° | 119.9° |
| CA3 | CA4 | HCA4 | 118.4° | 120.1° |
| CA5 | CA4 | HCA4 | 120.6° | 120.0° |
| CA4 | CA5 | CA6 | 117.7° | 119.8° |
| CA4 | CA5 | CC3 | 121.9° | 120.1° |
| CA6 | CA5 | CC3 | 120.4° | 120.1° |
| CA5 | CA6 | HCA6 | 120.0° | 120.1° |
| CA5 | CC3 | CC2 | 129.2° | 126.3° |
| CA5 | CC3 | NC4 | 121.7° | 126.3° |
| NB2 | CB1 | CB6 | 120.7° | 121.0° |
| NB2 | CB1 | HCB1 | 117.1° | 119.5° |
| CB1 | NB2 | CB3 | 122.4° | 122.0° |
| CB6 | CB1 | HCB1 | 122.2° | 119.5° |
| CB1 | CB6 | CB5 | 119.3° | 118.9° |
| CB1 | CB6 | HCB6 | 119.6° | 120.5° |
| NB2 | CB3 | CB4 | 120.9° | 121.0° |
| NB2 | CB3 | HCB3 | 116.9° | 119.5° |
| CB4 | CB3 | HCB3 | 122.2° | 119.5° |
| CB3 | CB4 | CB5 | 119.1° | 118.9° |
| CB3 | CB4 | HCB4 | 119.7° | 120.6° |
| CB5 | CB4 | HCB4 | 121.1° | 120.5° |
| CB4 | CB5 | CB6 | 117.6° | 118.2° |
| CB4 | CB5 | CC2 | 120.8° | 120.9° |
| CB6 | CB5 | CC2 | 121.6° | 120.9° |
| CB5 | CB6 | HCB6 | 121.1° | 120.6° |
| CB5 | CC2 | NC1 | 123.6° | 126.9° |
| CB5 | CC2 | CC3 | 127.8° | 127.0° |
| CC2 | NC1 | CC5 | 98.9° | 107.4° |
| CC2 | NC1 | CD1 | 134.2° | 126.3° |
| NC1 | CC2 | CC3 | 108.5° | 106.1° |
| CC5 | NC1 | CD1 | 126.8° | 126.3° |
| NC1 | CC5 | NC4 | 122.5° | 109.6° |
| NC1 | CC5 | HCC5 | 119.5° | 125.2° |
| NC1 | CD1 | CE1 | 114.0° | 109.5° |
| NC1 | CD1 | HCD1 | 110.5° | 109.4° |
| NC1 | CD1 | HCD2 | 110.6° | 109.5° |
| CC2 | CC3 | NC4 | 109.0° | 107.4° |
| CC3 | NC4 | CC5 | 101.0° | 109.5° |
| NC4 | CC5 | HCC5 | 118.0° | 125.2° |
| CE1 | CD1 | HCD1 | 110.5° | 109.5° |
| CE1 | CD1 | HCD2 | 110.6° | 109.5° |
| CD1 | CE1 | CE2 | 122.2° | 117.5° |
| CD1 | CE1 | CE3 | 118.1° | 117.5° |
| CD1 | CE1 | HCE1 | 89.9° | 115.5° |
| HCD1 | CD1 | HCD2 | 99.8° | 109.5° |
| CE2 | CE1 | CE3 | 59.4° | 60.0° |
| CE2 | CE1 | HCE1 | 133.5° | 117.5° |
| CE1 | CE2 | CE3 | 59.9° | 60.0° |
| CE1 | CE2 | HE21 | 135.1° | 117.5° |
| CE1 | CE2 | HE22 | 135.1° | 117.5° |
| CE3 | CE1 | HCE1 | 137.0° | 117.6° |
| CE1 | CE3 | CE2 | 60.7° | 60.0° |
| CE1 | CE3 | HE31 | 134.6° | 117.5° |
| CE1 | CE3 | HE32 | 134.6° | 117.5° |
| CE3 | CE2 | HE21 | 135.1° | 117.4° |
| CE3 | CE2 | HE22 | 135.1° | 117.5° |
| CE2 | CE3 | HE31 | 134.5° | 117.5° |
| CE2 | CE3 | HE32 | 134.6° | 117.5° |
| HE21 | CE2 | HE22 | 70.4° | 115.6° |
| HE31 | CE3 | HE32 | 71.1° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FA1 | CA2 | CA1 | CA3 | 179.9° | 179.6° |
| FA1 | CA2 | CA1 | CA6 | 179.4° | 179.9° |
| FA1 | CA2 | CA1 | HCA1 | 0.5° | 0.2° |
| FA1 | CA2 | CA3 | CA4 | 179.4° | 179.8° |
| FA1 | CA2 | CA3 | HCA3 | 0.6° | 0.3° |
| CA2 | CA1 | CA6 | HCA1 | 180.0° | 179.9° |
| CA1 | CA2 | CA3 | CA4 | 0.5° | 0.6° |
| CA1 | CA2 | CA3 | HCA3 | 179.6° | 179.9° |
| CA2 | CA1 | CA6 | CA5 | 0.0° | 0.1° |
| CA2 | CA1 | CA6 | HCA6 | 180.0° | 179.9° |
| CA6 | CA1 | CA2 | CA3 | 0.4° | 0.3° |
| CA1 | CA6 | CA5 | CA4 | 0.4° | 0.0° |
| CA1 | CA6 | CA5 | HCA6 | 180.0° | 179.9° |
| CA1 | CA6 | CA5 | CC3 | 179.0° | 180.0° |
| HCA1 | CA1 | CA2 | CA3 | 179.6° | 179.8° |
| HCA1 | CA1 | CA6 | CA5 | 180.0° | 180.0° |
| HCA1 | CA1 | CA6 | HCA6 | 0.0° | 0.0° |
| CA2 | CA3 | CA4 | HCA3 | 180.0° | 179.5° |
| CA2 | CA3 | CA4 | CA5 | 0.1° | 0.5° |
| CA2 | CA3 | CA4 | HCA4 | 179.9° | 179.7° |
| CA3 | CA4 | CA5 | HCA4 | 180.0° | 179.7° |
| CA3 | CA4 | CA5 | CA6 | 0.4° | 0.3° |
| CA3 | CA4 | CA5 | CC3 | 179.0° | 179.8° |
| HCA3 | CA3 | CA4 | CA5 | 180.0° | 180.0° |
| HCA3 | CA3 | CA4 | HCA4 | 0.1° | 0.2° |
| CA4 | CA5 | CA6 | CC3 | 179.4° | 179.9° |
| CA4 | CA5 | CA6 | HCA6 | 179.6° | 179.9° |
| CA4 | CA5 | CC3 | CC2 | 55.5° | 40.3° |
| CA4 | CA5 | CC3 | NC4 | 127.5° | 139.9° |
| HCA4 | CA4 | CA5 | CA6 | 179.7° | 180.0° |
| HCA4 | CA4 | CA5 | CC3 | 0.9° | 0.1° |
| CA6 | CA5 | CC3 | CC2 | 123.8° | 139.7° |
| CA6 | CA5 | CC3 | NC4 | 53.1° | 40.0° |
| CC3 | CA5 | CA6 | HCA6 | 1.0° | 0.0° |
| CA5 | CC3 | CC2 | CB5 | 6.1° | 0.2° |
| CA5 | CC3 | CC2 | NC1 | 177.8° | 179.9° |
| CA5 | CC3 | CC2 | NC4 | 177.2° | 179.8° |
| CA5 | CC3 | NC4 | CC5 | 177.9° | 180.0° |
| NB2 | CB1 | CB6 | HCB1 | 179.9° | 179.7° |
| CB1 | NB2 | CB3 | CB4 | 0.0° | 0.0° |
| CB1 | NB2 | CB3 | HCB3 | 180.0° | 179.9° |
| NB2 | CB1 | CB6 | CB5 | 0.2° | 0.6° |
| NB2 | CB1 | CB6 | HCB6 | 179.8° | 180.0° |
| CB6 | CB1 | NB2 | CB3 | 0.1° | 0.3° |
| CB1 | CB6 | CB5 | CB4 | 0.1° | 0.6° |
| CB1 | CB6 | CB5 | HCB6 | 180.0° | 179.4° |
| CB1 | CB6 | CB5 | CC2 | 179.8° | 179.7° |
| HCB1 | CB1 | NB2 | CB3 | 179.9° | 180.0° |
| HCB1 | CB1 | CB6 | CB5 | 179.9° | 179.7° |
| HCB1 | CB1 | CB6 | HCB6 | 0.1° | 0.3° |
| NB2 | CB3 | CB4 | HCB3 | 180.0° | 180.0° |
| NB2 | CB3 | CB4 | CB5 | 0.1° | 0.0° |
| NB2 | CB3 | CB4 | HCB4 | 179.9° | 179.9° |
| CB3 | CB4 | CB5 | HCB4 | 180.0° | 179.8° |
| CB3 | CB4 | CB5 | CB6 | 0.0° | 0.3° |
| CB3 | CB4 | CB5 | CC2 | 179.9° | 180.0° |
| HCB3 | CB3 | CB4 | CB5 | 179.9° | 179.9° |
| HCB3 | CB3 | CB4 | HCB4 | 0.1° | 0.1° |
| CB4 | CB5 | CB6 | CC2 | 179.9° | 179.6° |
| CB4 | CB5 | CB6 | HCB6 | 179.9° | 180.0° |
| CB4 | CB5 | CC2 | NC1 | 115.4° | 120.0° |
| CB4 | CB5 | CC2 | CC3 | 69.0° | 60.3° |
| HCB4 | CB4 | CB5 | CB6 | 180.0° | 179.8° |
| HCB4 | CB4 | CB5 | CC2 | 0.1° | 0.2° |
| CB6 | CB5 | CC2 | NC1 | 64.5° | 60.4° |
| CB6 | CB5 | CC2 | CC3 | 111.1° | 119.3° |
| CC2 | CB5 | CB6 | HCB6 | 0.2° | 0.3° |
| CB5 | CC2 | NC1 | CC3 | 176.3° | 179.7° |
| CB5 | CC2 | NC1 | CC5 | 176.8° | 180.0° |
| CB5 | CC2 | NC1 | CD1 | 2.1° | 0.2° |
| CB5 | CC2 | CC3 | NC4 | 176.7° | 180.0° |
| CC2 | NC1 | CC5 | CD1 | 179.0° | 179.8° |
| NC1 | CC2 | CC3 | NC4 | 0.6° | 0.3° |
| CC2 | NC1 | CC5 | NC4 | 0.2° | 0.2° |
| CC2 | NC1 | CC5 | HCC5 | 179.8° | 179.8° |
| CC2 | NC1 | CD1 | CE1 | 83.0° | 89.8° |
| CC2 | NC1 | CD1 | HCD1 | 42.2° | 30.3° |
| CC2 | NC1 | CD1 | HCD2 | 151.7° | 150.2° |
| CC5 | NC1 | CC2 | CC3 | 0.4° | 0.3° |
| NC1 | CC5 | NC4 | CC3 | 0.1° | 0.0° |
| NC1 | CC5 | NC4 | HCC5 | 180.0° | 179.9° |
| CC5 | NC1 | CD1 | CE1 | 95.5° | 90.0° |
| CC5 | NC1 | CD1 | HCD1 | 139.3° | 150.0° |
| CC5 | NC1 | CD1 | HCD2 | 29.8° | 30.0° |
| CD1 | NC1 | CC2 | CC3 | 178.4° | 179.9° |
| CD1 | NC1 | CC5 | NC4 | 178.7° | 180.0° |
| CD1 | NC1 | CC5 | HCC5 | 1.2° | 0.1° |
| NC1 | CD1 | CE1 | HCD1 | 125.2° | 120.0° |
| NC1 | CD1 | CE1 | HCD2 | 125.3° | 120.0° |
| NC1 | CD1 | HCD1 | HCD2 | 116.4° | 120.0° |
| NC1 | CD1 | CE1 | CE2 | 8.2° | 180.0° |
| NC1 | CD1 | CE1 | CE3 | 78.0° | 111.4° |
| NC1 | CD1 | CE1 | HCE1 | 136.1° | 34.4° |
| CC2 | CC3 | NC4 | CC5 | 0.4° | 0.2° |
| CC3 | NC4 | CC5 | HCC5 | 179.9° | 180.0° |
| CE1 | CD1 | HCD1 | HCD2 | 116.4° | 120.0° |
| CD1 | CE1 | CE2 | CE3 | 106.0° | 107.5° |
| CD1 | CE1 | CE2 | HCE1 | 126.3° | 144.9° |
| CD1 | CE1 | CE3 | HCE1 | 124.8° | 145.1° |
| CD1 | CE1 | CE2 | HE21 | 19.3° | 145.1° |
| CD1 | CE1 | CE2 | HE22 | 128.8° | 0.1° |
| CD1 | CE1 | CE3 | HE31 | 122.2° | 0.1° |
| CD1 | CE1 | CE3 | HE32 | 12.6° | 145.0° |
| HCD1 | CD1 | CE1 | CE2 | 133.4° | 60.0° |
| HCD1 | CD1 | CE1 | CE3 | 156.8° | 128.6° |
| HCD1 | CD1 | CE1 | HCE1 | 10.9° | 85.6° |
| HCD2 | CD1 | CE1 | CE2 | 117.1° | 60.0° |
| HCD2 | CD1 | CE1 | CE3 | 47.3° | 8.6° |
| HCD2 | CD1 | CE1 | HCE1 | 98.7° | 154.4° |
| CE2 | CE1 | CE3 | HCE1 | 122.6° | 107.5° |
| CE1 | CE2 | CE3 | HE21 | 125.3° | 107.5° |
| CE1 | CE2 | CE3 | HE22 | 125.3° | 107.5° |
| CE1 | CE2 | HE21 | HE22 | 135.0° | 145.8° |
| CE2 | CE1 | CE3 | HE31 | 125.2° | 107.5° |
| CE2 | CE1 | CE3 | HE32 | 125.2° | 107.6° |
| CE1 | CE3 | HE31 | HE32 | 134.9° | 145.6° |
| HCE1 | CE1 | CE2 | HE21 | 107.0° | 0.1° |
| HCE1 | CE1 | CE2 | HE22 | 2.4° | 145.0° |
| HCE1 | CE1 | CE3 | HE31 | 2.6° | 145.0° |
| HCE1 | CE1 | CE3 | HE32 | 112.2° | 0.1° |
| CE3 | CE2 | HE21 | HE22 | 135.0° | 145.6° |
| CE2 | CE3 | HE31 | HE32 | 134.8° | 145.7° |
| HE21 | CE2 | CE3 | HE31 | 109.5° | 145.0° |
| HE21 | CE2 | CE3 | HE32 | 0.0° | 0.0° |
| HE22 | CE2 | CE3 | HE31 | 0.0° | 0.0° |
| HE22 | CE2 | CE3 | HE32 | 109.4° | 145.0° |
