5O5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
C05 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
CL2 | C03 | sing | 1.74Å | 1.74Å | |
C03 | C02 | doub | 1.38Å | 1.36Å | Aromatic |
C07 | O08 | sing | 1.36Å | 1.41Å | |
C07 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
O08 | C09 | sing | 1.43Å | 1.39Å | |
C02 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | CL1 | sing | 1.74Å | 1.72Å | |
C09 | C10 | sing | 1.51Å | 1.50Å | |
C10 | N11 | sing | 1.35Å | 1.34Å | Aromatic |
C10 | N14 | doub | 1.31Å | 1.33Å | Aromatic |
N11 | N12 | sing | 1.29Å | 1.35Å | Aromatic |
N14 | N13 | sing | 1.29Å | 1.34Å | Aromatic |
N12 | N13 | doub | 1.29Å | 1.32Å | Aromatic |
C05 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C09 | H3 | sing | 1.09Å | 1.10Å | |
C09 | H4 | sing | 1.09Å | 1.10Å | |
N11 | H5 | sing | 0.97Å | 1.00Å | |
C15 | H6 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C06 | C05 | C03 | 120.5° | 120.0° |
C05 | C06 | C07 | 120.2° | 120.0° |
C06 | C05 | H1 | 119.7° | 120.0° |
C05 | C06 | H2 | 119.9° | 120.0° |
C05 | C03 | CL2 | 119.6° | 119.9° |
C05 | C03 | C02 | 119.1° | 120.1° |
C03 | C05 | H1 | 119.8° | 120.0° |
C06 | C07 | O08 | 116.5° | 120.0° |
C06 | C07 | C15 | 118.8° | 119.9° |
C07 | C06 | H2 | 119.9° | 120.0° |
CL2 | C03 | C02 | 121.2° | 120.0° |
C03 | C02 | C15 | 120.7° | 120.0° |
C03 | C02 | CL1 | 118.5° | 120.0° |
O08 | C07 | C15 | 124.7° | 120.0° |
C07 | O08 | C09 | 117.5° | 117.0° |
C07 | C15 | C02 | 120.6° | 119.9° |
C07 | C15 | H6 | 119.7° | 120.0° |
O08 | C09 | C10 | 108.7° | 109.4° |
O08 | C09 | H3 | 109.7° | 109.4° |
O08 | C09 | H4 | 109.7° | 109.5° |
C15 | C02 | CL1 | 120.8° | 120.0° |
C02 | C15 | H6 | 119.7° | 120.0° |
C09 | C10 | N11 | 127.6° | 126.7° |
C09 | C10 | N14 | 123.5° | 126.7° |
C10 | C09 | H3 | 109.7° | 109.5° |
C10 | C09 | H4 | 109.7° | 109.5° |
N11 | C10 | N14 | 108.9° | 106.6° |
C10 | N11 | N12 | 106.6° | 107.2° |
C10 | N11 | H5 | 126.7° | 126.4° |
C10 | N14 | N13 | 107.2° | 108.0° |
N11 | N12 | N13 | 108.7° | 108.8° |
N12 | N11 | H5 | 126.7° | 126.4° |
N14 | N13 | N12 | 108.6° | 109.4° |
H3 | C09 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C06 | C05 | C03 | H1 | 180.0° | 179.9° |
C05 | C06 | C07 | H2 | 180.0° | 179.9° |
C06 | C05 | C03 | CL2 | 179.5° | 180.0° |
C06 | C05 | C03 | C02 | 0.0° | 0.0° |
C05 | C06 | C07 | O08 | 177.7° | 180.0° |
C05 | C06 | C07 | C15 | 2.2° | 0.0° |
C03 | C05 | C06 | C07 | 0.7° | 0.0° |
C05 | C03 | CL2 | C02 | 179.5° | 179.9° |
C05 | C03 | C02 | C15 | 0.7° | 0.0° |
C05 | C03 | C02 | CL1 | 179.9° | 179.7° |
C03 | C05 | C06 | H2 | 179.3° | 179.9° |
C06 | C07 | O08 | C15 | 179.9° | 179.9° |
C06 | C07 | O08 | C09 | 174.3° | 180.0° |
C06 | C07 | C15 | C02 | 2.9° | 0.0° |
C07 | C06 | C05 | H1 | 179.3° | 179.9° |
C06 | C07 | C15 | H6 | 177.1° | 179.7° |
CL2 | C03 | C02 | C15 | 178.8° | 180.0° |
CL2 | C03 | C02 | CL1 | 0.7° | 0.2° |
CL2 | C03 | C05 | H1 | 0.5° | 0.1° |
C03 | C02 | C15 | C07 | 2.2° | 0.0° |
C03 | C02 | C15 | CL1 | 179.4° | 179.7° |
C02 | C03 | C05 | H1 | 179.9° | 180.0° |
C03 | C02 | C15 | H6 | 177.8° | 179.7° |
O08 | C07 | C15 | C02 | 176.9° | 180.0° |
C07 | O08 | C09 | C10 | 69.2° | 180.0° |
O08 | C07 | C06 | H2 | 2.3° | 0.1° |
C07 | O08 | C09 | H3 | 170.9° | 60.1° |
C07 | O08 | C09 | H4 | 50.7° | 60.0° |
O08 | C07 | C15 | H6 | 3.1° | 0.2° |
C15 | C07 | O08 | C09 | 5.8° | 0.1° |
C07 | C15 | C02 | H6 | 180.0° | 179.7° |
C07 | C15 | C02 | CL1 | 178.3° | 179.7° |
C15 | C07 | C06 | H2 | 177.8° | 180.0° |
O08 | C09 | C10 | H3 | 119.9° | 120.0° |
O08 | C09 | C10 | H4 | 119.9° | 120.0° |
O08 | C09 | C10 | N11 | 48.8° | 0.0° |
O08 | C09 | C10 | N14 | 129.8° | 179.7° |
O08 | C09 | H3 | H4 | 120.4° | 120.0° |
CL1 | C02 | C15 | H6 | 1.7° | 0.0° |
C09 | C10 | N11 | N14 | 178.8° | 179.7° |
C09 | C10 | N11 | N12 | 179.0° | 180.0° |
C09 | C10 | N14 | N13 | 180.0° | 179.9° |
C10 | C09 | H3 | H4 | 120.4° | 120.0° |
C09 | C10 | N11 | H5 | 1.0° | 0.1° |
C10 | N11 | N12 | H5 | 180.0° | 179.9° |
N11 | C10 | N14 | N13 | 1.1° | 0.4° |
C10 | N11 | N12 | N13 | 0.9° | 0.0° |
N11 | C10 | C09 | H3 | 71.0° | 120.0° |
N11 | C10 | C09 | H4 | 168.7° | 120.0° |
N14 | C10 | N11 | N12 | 0.1° | 0.3° |
C10 | N14 | N13 | N12 | 1.6° | 0.4° |
N14 | C10 | C09 | H3 | 110.3° | 59.7° |
N14 | C10 | C09 | H4 | 10.0° | 60.3° |
N14 | C10 | N11 | H5 | 179.9° | 179.8° |
N11 | N12 | N13 | N14 | 1.6° | 0.2° |
N13 | N12 | N11 | H5 | 179.1° | 180.0° |
H1 | C05 | C06 | H2 | 0.7° | 0.0° |