4ZD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S06 | C05 | sing | 1.76Å | 1.72Å | |
S06 | C07 | sing | 1.76Å | 1.77Å | |
C04 | C05 | doub | 1.35Å | 1.34Å | |
C04 | C02 | sing | 1.41Å | 1.48Å | |
C02 | O01 | doub | 1.22Å | 1.37Å | |
C02 | O03 | sing | 1.35Å | 1.23Å | |
C07 | C08 | doub | 1.39Å | 1.41Å | Aromatic |
C07 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.40Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
O03 | H2 | sing | 0.97Å | 0.95Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
C09 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H9 | sing | 1.08Å | 1.08Å | |
C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | S06 | C07 | 113.1° | 100.0° |
S06 | C05 | C04 | 123.8° | 120.0° |
S06 | C05 | H5 | 118.1° | 120.0° |
S06 | C07 | C08 | 120.9° | 120.1° |
S06 | C07 | C12 | 121.9° | 120.0° |
C05 | C04 | C02 | 121.2° | 120.0° |
C05 | C04 | H3 | 119.4° | 120.0° |
C04 | C05 | H5 | 118.1° | 120.0° |
C04 | C02 | O01 | 117.3° | 120.0° |
C04 | C02 | O03 | 127.0° | 120.0° |
C02 | C04 | H3 | 119.4° | 120.0° |
O01 | C02 | O03 | 114.4° | 120.0° |
C02 | O03 | H2 | 109.5° | 114.0° |
C08 | C07 | C12 | 117.2° | 119.9° |
C07 | C08 | C09 | 121.8° | 119.9° |
C07 | C08 | H7 | 119.1° | 120.0° |
C07 | C12 | C11 | 121.3° | 119.9° |
C07 | C12 | H10 | 119.4° | 120.1° |
C08 | C09 | C10 | 120.2° | 120.1° |
C09 | C08 | H7 | 119.1° | 120.1° |
C08 | C09 | H8 | 119.9° | 120.0° |
C12 | C11 | C10 | 120.8° | 120.1° |
C12 | C11 | H9 | 119.6° | 120.0° |
C11 | C12 | H10 | 119.4° | 120.0° |
C09 | C10 | C11 | 118.8° | 120.1° |
C09 | C10 | H1 | 120.6° | 119.9° |
C10 | C09 | H8 | 119.9° | 119.9° |
C11 | C10 | H1 | 120.6° | 120.0° |
C10 | C11 | H9 | 119.6° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S06 | C05 | C04 | H5 | 180.0° | 179.9° |
S06 | C05 | C04 | C02 | 117.6° | 180.0° |
C05 | S06 | C07 | C08 | 127.8° | 85.9° |
C05 | S06 | C07 | C12 | 52.8° | 94.2° |
S06 | C05 | C04 | H3 | 62.4° | 0.0° |
C07 | S06 | C05 | C04 | 86.9° | 174.8° |
S06 | C07 | C08 | C12 | 179.4° | 179.9° |
S06 | C07 | C08 | C09 | 179.4° | 180.0° |
S06 | C07 | C12 | C11 | 179.4° | 180.0° |
C07 | S06 | C05 | H5 | 93.1° | 5.2° |
S06 | C07 | C08 | H7 | 0.6° | 0.1° |
S06 | C07 | C12 | H10 | 0.6° | 0.1° |
C05 | C04 | C02 | H3 | 180.0° | 180.0° |
C05 | C04 | C02 | O01 | 89.4° | 0.0° |
C05 | C04 | C02 | O03 | 76.9° | 180.0° |
C04 | C02 | O01 | O03 | 168.0° | 179.9° |
C04 | C02 | O03 | H2 | 166.6° | 180.0° |
C02 | C04 | C05 | H5 | 62.4° | 0.0° |
O01 | C02 | O03 | H2 | 0.0° | 0.1° |
O01 | C02 | C04 | H3 | 90.6° | 180.0° |
O03 | C02 | C04 | H3 | 103.1° | 0.1° |
C07 | C08 | C09 | H7 | 180.0° | 179.9° |
C08 | C07 | C12 | C11 | 0.0° | 0.2° |
C07 | C08 | C09 | C10 | 0.0° | 0.1° |
C07 | C08 | C09 | H8 | 179.9° | 180.0° |
C08 | C07 | C12 | H10 | 180.0° | 180.0° |
C12 | C07 | C08 | C09 | 0.1° | 0.2° |
C07 | C12 | C11 | H10 | 180.0° | 179.8° |
C07 | C12 | C11 | C10 | 0.2° | 0.0° |
C12 | C07 | C08 | H7 | 179.9° | 179.8° |
C07 | C12 | C11 | H9 | 179.8° | 180.0° |
C08 | C09 | C10 | H8 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.2° | 0.3° |
C08 | C09 | C10 | H1 | 179.8° | 180.0° |
C12 | C11 | C10 | C09 | 0.3° | 0.3° |
C12 | C11 | C10 | H9 | 180.0° | 180.0° |
C12 | C11 | C10 | H1 | 179.7° | 180.0° |
C09 | C10 | C11 | H1 | 180.0° | 179.7° |
C10 | C09 | C08 | H7 | 180.0° | 180.0° |
C09 | C10 | C11 | H9 | 179.7° | 179.7° |
C11 | C10 | C09 | H8 | 179.8° | 179.8° |
C10 | C11 | C12 | H10 | 179.8° | 179.8° |
H1 | C10 | C09 | H8 | 0.3° | 0.1° |
H1 | C10 | C11 | H9 | 0.3° | 0.0° |
H3 | C04 | C05 | H5 | 117.6° | 179.9° |
H7 | C08 | C09 | H8 | 0.1° | 0.1° |
H9 | C11 | C12 | H10 | 0.2° | 0.2° |