EUF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S03 | C02 | sing | 1.81Å | 1.83Å | |
C02 | C01 | sing | 1.53Å | 1.54Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
S03 | S1 | sing | 2.06Å | 52.60Å | |
S1 | C5 | sing | 1.76Å | 0.00Å | |
C5 | N1 | doub | 1.29Å | 0.00Å | Aromatic |
N1 | C2 | sing | 1.35Å | 0.00Å | Aromatic |
C2 | C3 | sing | 1.40Å | 0.00Å | Aromatic |
C3 | S2 | sing | 1.76Å | 0.00Å | Aromatic |
S2 | C5 | sing | 1.76Å | 0.00Å | Aromatic |
C3 | C1 | doub | 1.39Å | 0.00Å | Aromatic |
C1 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
C4 | C6 | doub | 1.39Å | 0.00Å | Aromatic |
C6 | C7 | sing | 1.37Å | 0.00Å | Aromatic |
C7 | C2 | doub | 1.41Å | 0.00Å | Aromatic |
C1 | H6 | sing | 1.08Å | 0.00Å | |
C4 | H7 | sing | 1.08Å | 0.00Å | |
C6 | H8 | sing | 1.08Å | 0.00Å | |
C7 | H9 | sing | 1.08Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S03 | C02 | C01 | 112.2° | 109.5° |
S03 | C02 | H4 | 108.8° | 109.5° |
S03 | C02 | H5 | 108.8° | 109.5° |
C02 | S03 | S1 | 88.9° | 103.0° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 108.8° | 109.5° |
C01 | C02 | H5 | 108.8° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C02 | H5 | 109.5° | 109.5° |
S03 | S1 | C5 | 90.0° | 100.0° |
S1 | C5 | N1 | 90.0° | 124.8° |
S1 | C5 | S2 | 90.0° | 124.8° |
C5 | N1 | C2 | 90.0° | 117.9° |
N1 | C5 | S2 | 90.0° | 110.3° |
N1 | C2 | C3 | 90.0° | 112.9° |
N1 | C2 | C7 | 90.0° | 128.7° |
C2 | C3 | S2 | 90.0° | 108.5° |
C2 | C3 | C1 | 90.0° | 120.4° |
C3 | C2 | C7 | 90.0° | 118.4° |
C3 | S2 | C5 | 90.0° | 90.4° |
S2 | C3 | C1 | 90.0° | 131.2° |
C3 | C1 | C4 | 90.0° | 120.2° |
C3 | C1 | H6 | 90.0° | 119.9° |
C1 | C4 | C6 | 90.0° | 119.9° |
C4 | C1 | H6 | 90.0° | 119.9° |
C1 | C4 | H7 | 90.0° | 120.0° |
C4 | C6 | C7 | 90.0° | 120.6° |
C6 | C4 | H7 | 90.0° | 120.0° |
C4 | C6 | H8 | 90.0° | 119.7° |
C6 | C7 | C2 | 90.0° | 120.4° |
C7 | C6 | H8 | 90.0° | 119.7° |
C6 | C7 | H9 | 90.0° | 119.8° |
C2 | C7 | H9 | 90.0° | 119.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S03 | C02 | C01 | H4 | 120.4° | 120.0° |
S03 | C02 | C01 | H5 | 120.4° | 120.0° |
S03 | C02 | C01 | H1 | 180.0° | 180.0° |
S03 | C02 | C01 | H2 | 60.0° | 60.0° |
S03 | C02 | C01 | H3 | 60.0° | 60.0° |
S03 | C02 | H4 | H5 | 118.7° | 120.0° |
C02 | S03 | S1 | C5 | 90.0° | 85.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 118.8° | 120.0° |
C01 | C02 | S03 | S1 | 53.5° | 70.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 59.6° | 60.0° |
H1 | C01 | C02 | H5 | 59.6° | 60.0° |
H2 | C01 | C02 | H4 | 179.6° | 60.0° |
H2 | C01 | C02 | H5 | 60.4° | 180.0° |
H3 | C01 | C02 | H4 | 60.4° | 180.0° |
H3 | C01 | C02 | H5 | 179.6° | 60.0° |
H4 | C02 | S03 | S1 | 173.9° | 50.0° |
H5 | C02 | S03 | S1 | 66.9° | 170.0° |
S03 | S1 | C5 | N1 | 90.0° | 90.0° |
S03 | S1 | C5 | S2 | 90.0° | 90.3° |
S1 | C5 | N1 | S2 | 90.0° | 179.7° |
S1 | C5 | N1 | C2 | 90.0° | 180.0° |
S1 | C5 | S2 | C3 | 90.0° | 179.9° |
C5 | N1 | C2 | C3 | 90.0° | 0.0° |
N1 | C5 | S2 | C3 | 90.0° | 0.4° |
C5 | N1 | C2 | C7 | 90.0° | 180.0° |
N1 | C2 | C3 | C7 | 90.0° | 180.0° |
N1 | C2 | C3 | S2 | 90.0° | 0.2° |
C2 | N1 | C5 | S2 | 90.0° | 0.3° |
N1 | C2 | C3 | C1 | 90.0° | 179.9° |
N1 | C2 | C7 | C6 | 90.0° | 179.9° |
N1 | C2 | C7 | H9 | 90.0° | 0.0° |
C2 | C3 | S2 | C1 | 90.0° | 179.7° |
C2 | C3 | S2 | C5 | 90.0° | 0.3° |
C2 | C3 | C1 | C4 | 90.0° | 0.0° |
C3 | C2 | C7 | C6 | 90.0° | 0.1° |
C2 | C3 | C1 | H6 | 90.0° | 180.0° |
C3 | C2 | C7 | H9 | 90.0° | 180.0° |
S2 | C3 | C1 | C4 | 90.0° | 179.7° |
S2 | C3 | C2 | C7 | 90.0° | 179.7° |
S2 | C3 | C1 | H6 | 90.0° | 0.4° |
C5 | S2 | C3 | C1 | 90.0° | 180.0° |
C3 | C1 | C4 | H6 | 90.0° | 180.0° |
C3 | C1 | C4 | C6 | 90.0° | 0.1° |
C1 | C3 | C2 | C7 | 90.0° | 0.0° |
C3 | C1 | C4 | H7 | 90.0° | 180.0° |
C1 | C4 | C6 | H7 | 90.0° | 179.9° |
C1 | C4 | C6 | C7 | 90.0° | 0.1° |
C1 | C4 | C6 | H8 | 90.0° | 180.0° |
C4 | C6 | C7 | H8 | 90.0° | 179.9° |
C4 | C6 | C7 | C2 | 90.0° | 0.1° |
C6 | C4 | C1 | H6 | 90.0° | 180.0° |
C4 | C6 | C7 | H9 | 90.0° | 180.0° |
C6 | C7 | C2 | H9 | 90.0° | 179.9° |
C7 | C6 | C4 | H7 | 90.0° | 180.0° |
C2 | C7 | C6 | H8 | 90.0° | 180.0° |
H6 | C1 | C4 | H7 | 90.0° | 0.0° |
H7 | C4 | C6 | H8 | 90.0° | 0.0° |
H8 | C6 | C7 | H9 | 90.0° | 0.1° |