SB5
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 | 1.42Å | Aromatic |
| CA3 | CA4 | doub | 1.38Å | 1.41Å | Aromatic |
| CA3 | HCA3 | sing | 1.08Å | 1.10Å | |
| CA4 | CA5 | sing | 1.39Å | 1.44Å | Aromatic |
| CA4 | HCA4 | sing | 1.08Å | 1.10Å | |
| CA5 | CA6 | doub | 1.39Å | 1.43Å | Aromatic |
| CA5 | CC3 | sing | 1.48Å | 1.43Å | Aromatic |
| CA6 | HCA6 | sing | 1.08Å | 1.10Å | |
| CB1 | NB2 | doub | 1.32Å | 1.36Å | Aromatic |
| CB1 | CB6 | sing | 1.38Å | 1.42Å | Aromatic |
| CB1 | HCB1 | sing | 1.08Å | 1.10Å | |
| NB2 | CB3 | sing | 1.32Å | 1.33Å | Aromatic |
| CB3 | NB4 | doub | 1.32Å | 1.33Å | Aromatic |
| CB3 | NB7 | sing | 1.38Å | 1.30Å | |
| NB4 | CB5 | sing | 1.33Å | 1.38Å | Aromatic |
| CB5 | CB6 | doub | 1.40Å | 1.46Å | Aromatic |
| CB5 | CC2 | sing | 1.47Å | 1.46Å | Aromatic |
| CB6 | HCB6 | sing | 1.08Å | 1.10Å | |
| NB7 | HN71 | sing | 0.97Å | 1.02Å | |
| NB7 | HN72 | sing | 0.97Å | 1.02Å | |
| NC1 | CC2 | sing | 1.38Å | 1.46Å | 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 | 1.34Å | 1.40Å | Aromatic |
| NC4 | CC5 | doub | 1.31Å | 1.36Å | Aromatic |
| CC5 | HCC5 | sing | 1.08Å | 1.10Å | |
| CD1 | CE1 | sing | 1.53Å | 1.55Å | |
| CD1 | HCD1 | sing | 1.09Å | 1.12Å | |
| CD1 | HCD2 | sing | 1.09Å | 1.11Å | |
| CE1 | CE2 | sing | 1.53Å | 1.53Å | |
| CE1 | CE3 | sing | 1.53Å | 1.53Å | |
| CE1 | HCE1 | sing | 1.09Å | 1.11Å | |
| CE2 | CE3 | sing | 1.53Å | 1.52Å | |
| CE2 | HC21 | sing | 1.09Å | 1.12Å | |
| CE2 | HC22 | sing | 1.09Å | 1.11Å | |
| CE3 | HC31 | sing | 1.09Å | 1.11Å | |
| CE3 | HC32 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FA1 | CA2 | CA1 | 120.0° | 119.9° |
| FA1 | CA2 | CA3 | 119.6° | 119.9° |
| CA2 | CA1 | CA6 | 119.9° | 120.1° |
| CA2 | CA1 | HCA1 | 120.2° | 119.9° |
| CA1 | CA2 | CA3 | 120.4° | 120.2° |
| CA6 | CA1 | HCA1 | 119.9° | 119.9° |
| CA1 | CA6 | CA5 | 120.7° | 119.9° |
| CA1 | CA6 | HCA6 | 119.2° | 120.1° |
| CA2 | CA3 | CA4 | 119.7° | 120.1° |
| CA2 | CA3 | HCA3 | 120.5° | 120.0° |
| CA4 | CA3 | HCA3 | 119.9° | 119.9° |
| CA3 | CA4 | CA5 | 121.3° | 119.9° |
| CA3 | CA4 | HCA4 | 118.2° | 120.0° |
| CA5 | CA4 | HCA4 | 120.5° | 120.1° |
| CA4 | CA5 | CA6 | 118.0° | 119.8° |
| CA4 | CA5 | CC3 | 119.7° | 120.1° |
| CA6 | CA5 | CC3 | 122.3° | 120.1° |
| CA5 | CA6 | HCA6 | 120.1° | 120.0° |
| CA5 | CC3 | CC2 | 130.8° | 126.3° |
| CA5 | CC3 | NC4 | 119.9° | 126.3° |
| NB2 | CB1 | CB6 | 121.7° | 119.3° |
| NB2 | CB1 | HCB1 | 116.6° | 120.3° |
| CB1 | NB2 | CB3 | 118.2° | 121.0° |
| CB6 | CB1 | HCB1 | 121.6° | 120.3° |
| CB1 | CB6 | CB5 | 116.0° | 118.4° |
| CB1 | CB6 | HCB6 | 120.9° | 120.8° |
| NB2 | CB3 | NB4 | 125.9° | 121.8° |
| NB2 | CB3 | NB7 | 116.5° | 119.1° |
| NB4 | CB3 | NB7 | 117.6° | 119.1° |
| CB3 | NB4 | CB5 | 119.1° | 120.6° |
| CB3 | NB7 | HN71 | 116.6° | 120.0° |
| CB3 | NB7 | HN72 | 109.7° | 120.0° |
| NB4 | CB5 | CB6 | 119.0° | 118.8° |
| NB4 | CB5 | CC2 | 119.4° | 120.6° |
| CB6 | CB5 | CC2 | 121.6° | 120.6° |
| CB5 | CB6 | HCB6 | 123.1° | 120.8° |
| CB5 | CC2 | NC1 | 122.9° | 127.0° |
| CB5 | CC2 | CC3 | 128.4° | 127.0° |
| HN71 | NB7 | HN72 | 109.7° | 120.0° |
| CC2 | NC1 | CC5 | 99.0° | 107.4° |
| CC2 | NC1 | CD1 | 133.2° | 126.3° |
| NC1 | CC2 | CC3 | 107.9° | 106.1° |
| CC5 | NC1 | CD1 | 127.1° | 126.3° |
| NC1 | CC5 | NC4 | 122.7° | 109.6° |
| NC1 | CC5 | HCC5 | 119.7° | 125.2° |
| NC1 | CD1 | CE1 | 114.0° | 109.5° |
| NC1 | CD1 | HCD1 | 110.5° | 109.5° |
| NC1 | CD1 | HCD2 | 110.6° | 109.4° |
| CC2 | CC3 | NC4 | 109.1° | 107.4° |
| CC3 | NC4 | CC5 | 101.3° | 109.6° |
| NC4 | CC5 | HCC5 | 117.6° | 125.2° |
| CE1 | CD1 | HCD1 | 110.5° | 109.5° |
| CE1 | CD1 | HCD2 | 110.5° | 109.5° |
| CD1 | CE1 | CE2 | 118.4° | 117.5° |
| CD1 | CE1 | CE3 | 117.7° | 117.5° |
| CD1 | CE1 | HCE1 | 92.3° | 115.6° |
| HCD1 | CD1 | HCD2 | 99.7° | 109.5° |
| CE2 | CE1 | CE3 | 59.5° | 60.0° |
| CE2 | CE1 | HCE1 | 135.0° | 117.5° |
| CE1 | CE2 | CE3 | 60.3° | 60.0° |
| CE1 | CE2 | HC21 | 134.8° | 117.5° |
| CE1 | CE2 | HC22 | 134.8° | 117.5° |
| CE3 | CE1 | HCE1 | 135.5° | 117.5° |
| CE1 | CE3 | CE2 | 60.2° | 60.0° |
| CE1 | CE3 | HC31 | 134.9° | 117.5° |
| CE1 | CE3 | HC32 | 134.9° | 117.5° |
| CE3 | CE2 | HC21 | 134.8° | 117.5° |
| CE3 | CE2 | HC22 | 134.8° | 117.5° |
| CE2 | CE3 | HC31 | 134.8° | 117.5° |
| CE2 | CE3 | HC32 | 134.9° | 117.5° |
| HC21 | CE2 | HC22 | 70.8° | 115.6° |
| HC31 | CE3 | HC32 | 70.7° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FA1 | CA2 | CA1 | CA3 | 179.9° | 180.0° |
| FA1 | CA2 | CA1 | CA6 | 179.7° | 179.7° |
| FA1 | CA2 | CA1 | HCA1 | 0.3° | 0.0° |
| FA1 | CA2 | CA3 | CA4 | 179.7° | 180.0° |
| FA1 | CA2 | CA3 | HCA3 | 0.3° | 0.0° |
| CA2 | CA1 | CA6 | HCA1 | 180.0° | 179.7° |
| CA1 | CA2 | CA3 | CA4 | 0.1° | 0.0° |
| CA1 | CA2 | CA3 | HCA3 | 179.8° | 180.0° |
| CA2 | CA1 | CA6 | CA5 | 0.1° | 0.6° |
| CA2 | CA1 | CA6 | HCA6 | 180.0° | 179.9° |
| CA6 | CA1 | CA2 | CA3 | 0.1° | 0.3° |
| CA1 | CA6 | CA5 | CA4 | 0.0° | 0.6° |
| CA1 | CA6 | CA5 | HCA6 | 180.0° | 179.5° |
| CA1 | CA6 | CA5 | CC3 | 179.4° | 179.7° |
| HCA1 | CA1 | CA2 | CA3 | 179.8° | 180.0° |
| HCA1 | CA1 | CA6 | CA5 | 179.9° | 179.7° |
| HCA1 | CA1 | CA6 | HCA6 | 0.0° | 0.2° |
| CA2 | CA3 | CA4 | HCA3 | 180.0° | 180.0° |
| CA2 | CA3 | CA4 | CA5 | 0.1° | 0.1° |
| CA2 | CA3 | CA4 | HCA4 | 180.0° | 179.9° |
| CA3 | CA4 | CA5 | HCA4 | 179.9° | 179.9° |
| CA3 | CA4 | CA5 | CA6 | 0.0° | 0.3° |
| CA3 | CA4 | CA5 | CC3 | 179.4° | 180.0° |
| HCA3 | CA3 | CA4 | CA5 | 179.9° | 180.0° |
| HCA3 | CA3 | CA4 | HCA4 | 0.0° | 0.1° |
| CA4 | CA5 | CA6 | CC3 | 179.4° | 179.7° |
| CA4 | CA5 | CA6 | HCA6 | 179.9° | 179.9° |
| CA4 | CA5 | CC3 | CC2 | 73.5° | 139.6° |
| CA4 | CA5 | CC3 | NC4 | 100.4° | 40.0° |
| HCA4 | CA4 | CA5 | CA6 | 179.9° | 179.8° |
| HCA4 | CA4 | CA5 | CC3 | 0.6° | 0.1° |
| CA6 | CA5 | CC3 | CC2 | 107.0° | 40.7° |
| CA6 | CA5 | CC3 | NC4 | 79.1° | 139.7° |
| CC3 | CA5 | CA6 | HCA6 | 0.6° | 0.2° |
| CA5 | CC3 | CC2 | CB5 | 3.9° | 0.2° |
| CA5 | CC3 | CC2 | NC1 | 173.3° | 180.0° |
| CA5 | CC3 | CC2 | NC4 | 174.4° | 179.6° |
| CA5 | CC3 | NC4 | CC5 | 174.4° | 180.0° |
| NB2 | CB1 | CB6 | HCB1 | 180.0° | 180.0° |
| CB1 | NB2 | CB3 | NB4 | 0.0° | 0.3° |
| CB1 | NB2 | CB3 | NB7 | 179.8° | 180.0° |
| NB2 | CB1 | CB6 | CB5 | 0.4° | 0.1° |
| NB2 | CB1 | CB6 | HCB6 | 179.6° | 180.0° |
| CB6 | CB1 | NB2 | CB3 | 0.2° | 0.0° |
| CB1 | CB6 | CB5 | NB4 | 0.4° | 0.2° |
| CB1 | CB6 | CB5 | HCB6 | 180.0° | 180.0° |
| CB1 | CB6 | CB5 | CC2 | 179.7° | 180.0° |
| HCB1 | CB1 | NB2 | CB3 | 179.8° | 180.0° |
| HCB1 | CB1 | CB6 | CB5 | 179.6° | 180.0° |
| HCB1 | CB1 | CB6 | HCB6 | 0.4° | 0.0° |
| NB2 | CB3 | NB4 | NB7 | 179.8° | 179.7° |
| NB2 | CB3 | NB4 | CB5 | 0.0° | 0.5° |
| NB2 | CB3 | NB7 | HN71 | 180.0° | 0.0° |
| NB2 | CB3 | NB7 | HN72 | 54.7° | 179.7° |
| CB3 | NB4 | CB5 | CB6 | 0.2° | 0.5° |
| CB3 | NB4 | CB5 | CC2 | 179.6° | 179.7° |
| NB4 | CB3 | NB7 | HN71 | 0.3° | 179.8° |
| NB4 | CB3 | NB7 | HN72 | 125.1° | 0.6° |
| NB7 | CB3 | NB4 | CB5 | 179.8° | 179.7° |
| CB3 | NB7 | HN71 | HN72 | 125.3° | 179.7° |
| NB4 | CB5 | CB6 | CC2 | 179.4° | 179.8° |
| NB4 | CB5 | CB6 | HCB6 | 179.6° | 179.8° |
| NB4 | CB5 | CC2 | NC1 | 28.8° | 140.2° |
| NB4 | CB5 | CC2 | CC3 | 139.2° | 40.0° |
| CB6 | CB5 | CC2 | NC1 | 150.6° | 40.0° |
| CB6 | CB5 | CC2 | CC3 | 41.4° | 139.7° |
| CC2 | CB5 | CB6 | HCB6 | 0.3° | 0.0° |
| CB5 | CC2 | NC1 | CC3 | 170.1° | 179.8° |
| CB5 | CC2 | NC1 | CC5 | 171.0° | 180.0° |
| CB5 | CC2 | NC1 | CD1 | 0.3° | 0.0° |
| CB5 | CC2 | CC3 | NC4 | 170.5° | 179.8° |
| CC2 | NC1 | CC5 | CD1 | 171.5° | 180.0° |
| NC1 | CC2 | CC3 | NC4 | 1.1° | 0.4° |
| CC2 | NC1 | CC5 | NC4 | 0.5° | 0.0° |
| CC2 | NC1 | CC5 | HCC5 | 179.6° | 180.0° |
| CC2 | NC1 | CD1 | CE1 | 148.3° | 90.0° |
| CC2 | NC1 | CD1 | HCD1 | 23.0° | 30.0° |
| CC2 | NC1 | CD1 | HCD2 | 86.5° | 150.0° |
| CC5 | NC1 | CC2 | CC3 | 0.9° | 0.3° |
| NC1 | CC5 | NC4 | CC3 | 0.1° | 0.2° |
| NC1 | CC5 | NC4 | HCC5 | 180.0° | 179.9° |
| CC5 | NC1 | CD1 | CE1 | 20.2° | 90.0° |
| CC5 | NC1 | CD1 | HCD1 | 145.5° | 150.0° |
| CC5 | NC1 | CD1 | HCD2 | 105.1° | 30.0° |
| CD1 | NC1 | CC2 | CC3 | 169.9° | 179.8° |
| CD1 | NC1 | CC5 | NC4 | 171.0° | 180.0° |
| CD1 | NC1 | CC5 | HCC5 | 8.9° | 0.0° |
| NC1 | CD1 | CE1 | HCD1 | 125.2° | 120.0° |
| NC1 | CD1 | CE1 | HCD2 | 125.3° | 119.9° |
| NC1 | CD1 | HCD1 | HCD2 | 116.4° | 119.9° |
| NC1 | CD1 | CE1 | CE2 | 144.5° | 180.0° |
| NC1 | CD1 | CE1 | CE3 | 76.1° | 111.4° |
| NC1 | CD1 | CE1 | HCE1 | 69.8° | 34.3° |
| CC2 | CC3 | NC4 | CC5 | 0.7° | 0.4° |
| CC3 | NC4 | CC5 | HCC5 | 179.8° | 179.7° |
| CE1 | CD1 | HCD1 | HCD2 | 116.4° | 120.1° |
| CD1 | CE1 | CE2 | CE3 | 107.1° | 107.5° |
| CD1 | CE1 | CE2 | HCE1 | 127.3° | 145.1° |
| CD1 | CE1 | CE3 | HCE1 | 126.9° | 145.0° |
| CD1 | CE1 | CE2 | HC21 | 18.1° | 145.1° |
| CD1 | CE1 | CE2 | HC22 | 127.7° | 0.0° |
| CD1 | CE1 | CE3 | HC31 | 126.5° | 0.0° |
| CD1 | CE1 | CE3 | HC32 | 17.0° | 145.0° |
| HCD1 | CD1 | CE1 | CE2 | 19.2° | 60.0° |
| HCD1 | CD1 | CE1 | CE3 | 49.1° | 128.6° |
| HCD1 | CD1 | CE1 | HCE1 | 164.9° | 85.7° |
| HCD2 | CD1 | CE1 | CE2 | 90.2° | 60.0° |
| HCD2 | CD1 | CE1 | CE3 | 158.6° | 8.6° |
| HCD2 | CD1 | CE1 | HCE1 | 55.5° | 154.2° |
| CE2 | CE1 | CE3 | HCE1 | 124.8° | 107.5° |
| CE1 | CE2 | CE3 | HC21 | 125.3° | 107.5° |
| CE1 | CE2 | CE3 | HC22 | 125.3° | 107.5° |
| CE1 | CE2 | HC21 | HC22 | 135.0° | 145.7° |
| CE2 | CE1 | CE3 | HC31 | 125.2° | 107.5° |
| CE2 | CE1 | CE3 | HC32 | 125.3° | 107.5° |
| CE1 | CE3 | HC31 | HC32 | 135.0° | 145.7° |
| HCE1 | CE1 | CE2 | HC21 | 109.2° | 0.0° |
| HCE1 | CE1 | CE2 | HC22 | 0.4° | 145.0° |
| HCE1 | CE1 | CE3 | HC31 | 0.4° | 145.0° |
| HCE1 | CE1 | CE3 | HC32 | 110.0° | 0.0° |
| CE3 | CE2 | HC21 | HC22 | 134.8° | 145.7° |
| CE2 | CE3 | HC31 | HC32 | 134.9° | 145.7° |
| HC21 | CE2 | CE3 | HC31 | 109.4° | 145.0° |
| HC21 | CE2 | CE3 | HC32 | 0.0° | 0.0° |
| HC22 | CE2 | CE3 | HC31 | 0.0° | 0.0° |
| HC22 | CE2 | CE3 | HC32 | 109.4° | 145.0° |
