L3Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | S02 | doub | 1.42Å | 1.49Å | |
O03 | S02 | doub | 1.42Å | 1.45Å | |
S02 | C01 | sing | 1.81Å | 1.80Å | |
S02 | C04 | sing | 1.76Å | 1.79Å | |
C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
C09 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
C07 | C08 | sing | 1.47Å | 1.51Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C08 | O1 | doub | 1.21Å | 1.29Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | S02 | O03 | 120.9° | 121.1° |
O11 | S02 | C01 | 100.2° | 110.5° |
O11 | S02 | C04 | 112.8° | 104.3° |
O03 | S02 | C01 | 109.7° | 110.5° |
O03 | S02 | C04 | 108.2° | 104.3° |
C01 | S02 | C04 | 103.5° | 104.4° |
S02 | C01 | H1 | 109.5° | 109.4° |
S02 | C01 | H2 | 109.5° | 109.5° |
S02 | C01 | H3 | 109.4° | 109.4° |
S02 | C04 | C05 | 116.2° | 119.8° |
S02 | C04 | C10 | 119.8° | 119.8° |
C05 | C04 | C10 | 124.0° | 120.3° |
C04 | C05 | C06 | 117.7° | 120.2° |
C04 | C05 | H4 | 121.2° | 119.9° |
C04 | C10 | C09 | 118.0° | 120.2° |
C04 | C10 | H10 | 121.0° | 119.9° |
C05 | C06 | C07 | 120.4° | 119.8° |
C06 | C05 | H4 | 121.2° | 119.9° |
C05 | C06 | H5 | 119.8° | 120.0° |
C10 | C09 | C07 | 119.5° | 119.8° |
C10 | C09 | H9 | 120.3° | 120.1° |
C09 | C10 | H10 | 121.0° | 119.9° |
C06 | C07 | C09 | 120.3° | 119.7° |
C06 | C07 | C08 | 118.5° | 120.2° |
C07 | C06 | H5 | 119.8° | 120.2° |
C09 | C07 | C08 | 121.0° | 120.2° |
C07 | C09 | H9 | 120.2° | 120.1° |
C07 | C08 | H6 | 118.5° | 120.0° |
C07 | C08 | O1 | 123.1° | 120.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H6 | C08 | O1 | 118.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | S02 | O03 | C01 | 115.6° | 131.5° |
O11 | S02 | O03 | C04 | 132.1° | 116.8° |
O11 | S02 | C01 | C04 | 116.6° | 111.6° |
O11 | S02 | C04 | C05 | 33.3° | 26.0° |
O11 | S02 | C04 | C10 | 147.5° | 153.6° |
O11 | S02 | C01 | H1 | 180.0° | 171.6° |
O11 | S02 | C01 | H2 | 60.0° | 68.4° |
O11 | S02 | C01 | H3 | 60.0° | 51.7° |
O03 | S02 | C01 | C04 | 115.3° | 111.6° |
O03 | S02 | C04 | C05 | 169.7° | 153.9° |
O03 | S02 | C04 | C10 | 11.1° | 25.7° |
O03 | S02 | C01 | H1 | 51.9° | 51.6° |
O03 | S02 | C01 | H2 | 68.1° | 68.4° |
O03 | S02 | C01 | H3 | 171.9° | 171.6° |
C01 | S02 | C04 | C05 | 74.0° | 90.1° |
C01 | S02 | C04 | C10 | 105.2° | 90.3° |
S02 | C01 | H1 | H2 | 120.0° | 120.0° |
S02 | C01 | H1 | H3 | 120.0° | 119.9° |
S02 | C01 | H2 | H3 | 120.0° | 120.0° |
S02 | C04 | C05 | C10 | 179.2° | 179.6° |
S02 | C04 | C05 | C06 | 177.7° | 180.0° |
S02 | C04 | C10 | C09 | 178.1° | 179.8° |
C04 | S02 | C01 | H1 | 63.4° | 60.0° |
C04 | S02 | C01 | H2 | 176.6° | 180.0° |
C04 | S02 | C01 | H3 | 56.6° | 60.0° |
S02 | C04 | C05 | H4 | 2.3° | 0.1° |
S02 | C04 | C10 | H10 | 1.9° | 0.1° |
C04 | C05 | C06 | H4 | 180.0° | 180.0° |
C05 | C04 | C10 | C09 | 1.0° | 0.6° |
C04 | C05 | C06 | C07 | 0.3° | 0.0° |
C04 | C05 | C06 | H5 | 179.7° | 179.9° |
C05 | C04 | C10 | H10 | 179.0° | 179.7° |
C10 | C04 | C05 | C06 | 1.4° | 0.3° |
C04 | C10 | C09 | H10 | 180.0° | 179.8° |
C04 | C10 | C09 | C07 | 0.6° | 0.5° |
C10 | C04 | C05 | H4 | 178.5° | 179.7° |
C04 | C10 | C09 | H9 | 179.4° | 179.7° |
C05 | C06 | C07 | H5 | 180.0° | 179.9° |
C05 | C06 | C07 | C09 | 1.2° | 0.1° |
C05 | C06 | C07 | C08 | 176.7° | 179.9° |
C10 | C09 | C07 | C06 | 1.6° | 0.2° |
C10 | C09 | C07 | H9 | 180.0° | 179.8° |
C10 | C09 | C07 | C08 | 177.0° | 179.7° |
C06 | C07 | C09 | C08 | 175.3° | 179.9° |
C07 | C06 | C05 | H4 | 179.7° | 180.0° |
C06 | C07 | C08 | H6 | 13.4° | 180.0° |
C06 | C07 | C09 | H9 | 178.4° | 180.0° |
C06 | C07 | C08 | O1 | 166.6° | 0.1° |
C09 | C07 | C06 | H5 | 178.8° | 180.0° |
C09 | C07 | C08 | H6 | 162.0° | 0.1° |
C07 | C09 | C10 | H10 | 179.5° | 179.8° |
C09 | C07 | C08 | O1 | 18.0° | 180.0° |
C08 | C07 | C06 | H5 | 3.4° | 0.1° |
C07 | C08 | H6 | O1 | 180.0° | 179.9° |
C08 | C07 | C09 | H9 | 3.0° | 0.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C05 | C06 | H5 | 0.3° | 0.1° |
H9 | C09 | C10 | H10 | 0.5° | 0.1° |