4Z0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | S15 | sing | 1.71Å | 1.67Å | Aromatic |
C14 | C13 | doub | 1.34Å | 1.38Å | Aromatic |
S15 | C11 | sing | 1.76Å | 1.71Å | Aromatic |
C13 | C12 | sing | 1.37Å | 1.44Å | Aromatic |
O10 | C06 | doub | 1.22Å | 1.23Å | |
C12 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
C11 | C02 | sing | 1.46Å | 1.48Å | |
C02 | O03 | sing | 1.35Å | 1.39Å | |
C02 | O01 | doub | 1.22Å | 1.24Å | |
C06 | C05 | sing | 1.41Å | 1.45Å | |
C06 | C07 | sing | 1.49Å | 1.51Å | |
O03 | C04 | sing | 1.35Å | 1.39Å | |
O08 | C07 | doub | 1.21Å | 1.35Å | |
C05 | C04 | doub | 1.35Å | 1.33Å | |
C07 | O09 | sing | 1.35Å | 1.23Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
O09 | H6 | sing | 0.97Å | 0.95Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S15 | C14 | C13 | 111.9° | 111.0° |
C14 | S15 | C11 | 94.6° | 91.6° |
S15 | C14 | H8 | 124.1° | 124.5° |
C14 | C13 | C12 | 111.4° | 115.1° |
C14 | C13 | H1 | 124.3° | 122.4° |
C13 | C14 | H8 | 124.1° | 124.5° |
S15 | C11 | C12 | 109.4° | 109.1° |
S15 | C11 | C02 | 117.1° | 125.4° |
C13 | C12 | C11 | 112.7° | 113.3° |
C12 | C13 | H1 | 124.3° | 122.5° |
C13 | C12 | H7 | 123.6° | 123.3° |
O10 | C06 | C05 | 122.4° | 120.0° |
O10 | C06 | C07 | 119.3° | 120.0° |
C12 | C11 | C02 | 133.5° | 125.5° |
C11 | C12 | H7 | 123.6° | 123.4° |
C11 | C02 | O03 | 116.3° | 120.0° |
C11 | C02 | O01 | 126.6° | 120.0° |
O03 | C02 | O01 | 112.1° | 120.0° |
C02 | O03 | C04 | 119.5° | 117.1° |
C05 | C06 | C07 | 116.2° | 120.0° |
C06 | C05 | C04 | 121.6° | 120.0° |
C06 | C05 | H4 | 119.2° | 120.0° |
C06 | C07 | O08 | 118.5° | 120.0° |
C06 | C07 | O09 | 124.1° | 120.0° |
O03 | C04 | C05 | 118.3° | 120.0° |
O03 | C04 | H2 | 120.9° | 120.0° |
O08 | C07 | O09 | 112.7° | 120.0° |
C05 | C04 | H2 | 120.8° | 120.0° |
C04 | C05 | H4 | 119.2° | 120.0° |
C07 | O09 | H6 | 109.5° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S15 | C14 | C13 | H8 | 180.0° | 179.7° |
S15 | C14 | C13 | C12 | 0.1° | 0.0° |
C14 | S15 | C11 | C12 | 0.2° | 0.3° |
C14 | S15 | C11 | C02 | 179.5° | 180.0° |
S15 | C14 | C13 | H1 | 179.9° | 179.8° |
C13 | C14 | S15 | C11 | 0.1° | 0.2° |
C14 | C13 | C12 | H1 | 180.0° | 179.8° |
C14 | C13 | C12 | C11 | 0.1° | 0.3° |
C14 | C13 | C12 | H7 | 179.9° | 179.8° |
S15 | C11 | C12 | C13 | 0.2° | 0.4° |
S15 | C11 | C12 | C02 | 179.2° | 179.7° |
S15 | C11 | C02 | O03 | 34.1° | 0.3° |
S15 | C11 | C02 | O01 | 172.9° | 179.6° |
S15 | C11 | C12 | H7 | 179.8° | 179.7° |
C11 | S15 | C14 | H8 | 179.9° | 179.9° |
C13 | C12 | C11 | H7 | 180.0° | 179.9° |
C13 | C12 | C11 | C02 | 179.4° | 179.9° |
C12 | C13 | C14 | H8 | 179.9° | 179.8° |
O10 | C06 | C05 | C07 | 163.2° | 179.9° |
O10 | C06 | C07 | O08 | 25.1° | 179.9° |
O10 | C06 | C05 | C04 | 93.7° | 0.1° |
O10 | C06 | C07 | O09 | 179.0° | 0.0° |
O10 | C06 | C05 | H4 | 86.3° | 180.0° |
C12 | C11 | C02 | O03 | 146.7° | 180.0° |
C12 | C11 | C02 | O01 | 6.2° | 0.1° |
C11 | C12 | C13 | H1 | 179.9° | 180.0° |
C11 | C02 | O03 | O01 | 156.8° | 179.9° |
C11 | C02 | O03 | C04 | 158.2° | 180.0° |
C02 | C11 | C12 | H7 | 0.6° | 0.0° |
C02 | O03 | C04 | C05 | 163.2° | 180.0° |
C02 | O03 | C04 | H2 | 16.8° | 0.0° |
O01 | C02 | O03 | C04 | 45.0° | 0.0° |
C06 | C05 | C04 | O03 | 142.5° | 179.9° |
C05 | C06 | C07 | O08 | 138.7° | 0.0° |
C06 | C05 | C04 | H4 | 180.0° | 179.9° |
C05 | C06 | C07 | O09 | 15.2° | 179.9° |
C06 | C05 | C04 | H2 | 37.5° | 0.0° |
C06 | C07 | O08 | O09 | 156.7° | 180.0° |
C07 | C06 | C05 | C04 | 69.6° | 180.0° |
C07 | C06 | C05 | H4 | 110.4° | 0.1° |
C06 | C07 | O09 | H6 | 155.3° | 180.0° |
O03 | C04 | C05 | H2 | 180.0° | 180.0° |
O03 | C04 | C05 | H4 | 37.5° | 0.0° |
O08 | C07 | O09 | H6 | 0.0° | 0.1° |
H1 | C13 | C12 | H7 | 0.1° | 0.0° |
H1 | C13 | C14 | H8 | 0.1° | 0.0° |
H2 | C04 | C05 | H4 | 142.5° | 179.9° |