MYQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | C2 | sing | 0.00Å | 1.80Å | |
S | AU | sing | 0.00Å | 2.50Å | |
O1 | C1 | doub | 0.00Å | 1.30Å | |
O2 | C1 | sing | 0.00Å | 1.30Å | |
O2 | HO2 | sing | 0.00Å | 0.95Å | |
O3 | C4 | sing | 0.00Å | 1.26Å | |
O3 | HO3 | sing | 0.00Å | 0.95Å | |
O4 | C4 | doub | 0.00Å | 1.33Å | |
C1 | C2 | sing | 0.00Å | 1.49Å | |
C2 | C3 | sing | 0.00Å | 1.53Å | |
C2 | H2 | sing | 0.00Å | 1.10Å | |
C3 | C4 | sing | 0.00Å | 1.52Å | |
C3 | H31 | sing | 0.00Å | 1.10Å | |
C3 | H32 | sing | 0.00Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | S | AU | 113.2° | 90.0° |
S | C2 | C1 | 128.5° | 90.0° |
S | C2 | C3 | 108.3° | 90.0° |
S | C2 | H2 | 96.5° | 90.0° |
O1 | C1 | O2 | 115.9° | 90.0° |
O1 | C1 | C2 | 121.3° | 90.0° |
C1 | O2 | HO2 | 109.5° | 90.0° |
O2 | C1 | C2 | 122.7° | 90.0° |
C4 | O3 | HO3 | 109.5° | 90.0° |
O3 | C4 | O4 | 119.8° | 90.0° |
O3 | C4 | C3 | 117.7° | 90.0° |
O4 | C4 | C3 | 122.5° | 90.0° |
C1 | C2 | C3 | 113.8° | 90.0° |
C1 | C2 | H2 | 87.4° | 90.0° |
C3 | C2 | H2 | 119.9° | 90.0° |
C2 | C3 | C4 | 121.2° | 90.0° |
C2 | C3 | H31 | 103.0° | 90.0° |
C2 | C3 | H32 | 105.7° | 90.0° |
C4 | C3 | H31 | 103.0° | 90.0° |
C4 | C3 | H32 | 105.7° | 90.0° |
H31 | C3 | H32 | 119.2° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S | C2 | C1 | O1 | 0.8° | 90.0° |
S | C2 | C1 | O2 | 176.2° | 90.0° |
S | C2 | C1 | C3 | 142.0° | 90.0° |
S | C2 | C1 | H2 | 96.3° | 90.0° |
S | C2 | C3 | H2 | 109.1° | 90.0° |
S | C2 | C3 | C4 | 128.8° | 90.0° |
S | C2 | C3 | H31 | 14.7° | 90.0° |
S | C2 | C3 | H32 | 111.2° | 90.0° |
AU | S | C2 | C1 | 8.7° | 90.0° |
AU | S | C2 | C3 | 152.3° | 90.0° |
AU | S | C2 | H2 | 83.2° | 90.0° |
O1 | C1 | O2 | C2 | 177.2° | 90.0° |
O1 | C1 | O2 | HO2 | 0.0° | 90.0° |
O1 | C1 | C2 | C3 | 141.1° | 90.0° |
O1 | C1 | C2 | H2 | 97.1° | 90.0° |
O2 | C1 | C2 | C3 | 41.8° | 90.0° |
O2 | C1 | C2 | H2 | 80.0° | 90.0° |
HO2 | O2 | C1 | C2 | 177.2° | 90.0° |
O3 | C4 | O4 | C3 | 178.0° | 90.0° |
O3 | C4 | C3 | C2 | 139.2° | 90.0° |
O3 | C4 | C3 | H31 | 106.6° | 90.0° |
O3 | C4 | C3 | H32 | 19.2° | 90.0° |
HO3 | O3 | C4 | O4 | 0.0° | 90.0° |
HO3 | O3 | C4 | C3 | 178.1° | 90.0° |
O4 | C4 | C3 | C2 | 42.8° | 90.0° |
O4 | C4 | C3 | H31 | 71.4° | 90.0° |
O4 | C4 | C3 | H32 | 162.8° | 90.0° |
C1 | C2 | C3 | H2 | 101.4° | 90.0° |
C1 | C2 | C3 | C4 | 20.7° | 90.0° |
C1 | C2 | C3 | H31 | 134.8° | 90.0° |
C1 | C2 | C3 | H32 | 99.3° | 90.0° |
C2 | C3 | C4 | H31 | 114.2° | 90.0° |
C2 | C3 | C4 | H32 | 120.0° | 90.0° |
C2 | C3 | H31 | H32 | 116.6° | 90.0° |
H2 | C2 | C3 | C4 | 122.0° | 90.0° |
H2 | C2 | C3 | H31 | 123.8° | 90.0° |
H2 | C2 | C3 | H32 | 2.0° | 90.0° |
C4 | C3 | H31 | H32 | 116.6° | 90.0° |