V9D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O12 | N11 | sing | 1.42Å | 1.41Å | |
N11 | C10 | sing | 1.35Å | 1.46Å | |
O13 | C10 | doub | 1.22Å | 1.19Å | |
C10 | C09 | sing | 1.48Å | 1.54Å | |
C09 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
C09 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C02 | sing | 1.48Å | 1.54Å | |
C02 | O01 | doub | 1.22Å | 1.19Å | |
C02 | N03 | sing | 1.35Å | 1.45Å | |
N03 | O04 | sing | 1.42Å | 1.41Å | |
C06 | H1 | sing | 1.08Å | 1.08Å | |
C07 | H2 | sing | 1.08Å | 1.08Å | |
C08 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
N03 | H5 | sing | 0.97Å | 1.00Å | |
N11 | H6 | sing | 0.97Å | 1.00Å | |
O04 | H7 | sing | 0.97Å | 0.95Å | |
O12 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O12 | N11 | C10 | 118.6° | 120.0° |
O12 | N11 | H6 | 120.7° | 120.0° |
N11 | O12 | H8 | 109.5° | 114.0° |
N11 | C10 | O13 | 118.1° | 120.0° |
N11 | C10 | C09 | 122.8° | 120.0° |
C10 | N11 | H6 | 120.7° | 120.0° |
O13 | C10 | C09 | 119.1° | 120.0° |
C10 | C09 | C08 | 117.0° | 120.1° |
C10 | C09 | C14 | 123.0° | 120.0° |
C08 | C09 | C14 | 120.0° | 119.9° |
C09 | C08 | C07 | 120.2° | 120.2° |
C09 | C08 | H3 | 119.9° | 120.0° |
C09 | C14 | C05 | 119.6° | 119.7° |
C09 | C14 | H4 | 120.2° | 120.2° |
C08 | C07 | C06 | 119.7° | 120.3° |
C08 | C07 | H2 | 120.2° | 119.9° |
C07 | C08 | H3 | 119.9° | 119.9° |
C14 | C05 | C06 | 119.3° | 119.9° |
C14 | C05 | C02 | 123.1° | 120.0° |
C05 | C14 | H4 | 120.2° | 120.2° |
C07 | C06 | C05 | 121.2° | 120.2° |
C07 | C06 | H1 | 119.4° | 119.9° |
C06 | C07 | H2 | 120.2° | 119.9° |
C06 | C05 | C02 | 117.6° | 120.1° |
C05 | C06 | H1 | 119.4° | 120.0° |
C05 | C02 | O01 | 122.9° | 120.0° |
C05 | C02 | N03 | 120.7° | 120.0° |
O01 | C02 | N03 | 116.3° | 120.0° |
C02 | N03 | O04 | 117.6° | 120.0° |
C02 | N03 | H5 | 121.2° | 120.0° |
O04 | N03 | H5 | 121.2° | 120.0° |
N03 | O04 | H7 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O12 | N11 | C10 | H6 | 180.0° | 180.0° |
O12 | N11 | C10 | O13 | 0.2° | 0.0° |
O12 | N11 | C10 | C09 | 179.7° | 180.0° |
N11 | C10 | O13 | C09 | 179.8° | 180.0° |
N11 | C10 | C09 | C08 | 159.3° | 0.0° |
N11 | C10 | C09 | C14 | 20.7° | 179.7° |
C10 | N11 | O12 | H8 | 0.1° | 180.0° |
O13 | C10 | C09 | C08 | 20.5° | 180.0° |
O13 | C10 | C09 | C14 | 159.5° | 0.3° |
O13 | C10 | N11 | H6 | 179.8° | 180.0° |
C10 | C09 | C08 | C14 | 180.0° | 179.7° |
C10 | C09 | C08 | C07 | 180.0° | 180.0° |
C10 | C09 | C14 | C05 | 179.8° | 179.7° |
C10 | C09 | C08 | H3 | 0.0° | 0.0° |
C10 | C09 | C14 | H4 | 0.2° | 0.3° |
C09 | C10 | N11 | H6 | 0.3° | 0.0° |
C09 | C08 | C07 | H3 | 180.0° | 180.0° |
C08 | C09 | C14 | C05 | 0.3° | 0.7° |
C09 | C08 | C07 | C06 | 0.0° | 0.0° |
C09 | C08 | C07 | H2 | 179.9° | 180.0° |
C08 | C09 | C14 | H4 | 179.7° | 180.0° |
C14 | C09 | C08 | C07 | 0.0° | 0.3° |
C09 | C14 | C05 | H4 | 180.0° | 179.3° |
C09 | C14 | C05 | C06 | 0.5° | 0.7° |
C09 | C14 | C05 | C02 | 180.0° | 179.7° |
C14 | C09 | C08 | H3 | 180.0° | 179.7° |
C08 | C07 | C06 | H2 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 0.2° | 0.0° |
C08 | C07 | C06 | H1 | 179.8° | 180.0° |
C14 | C05 | C06 | C07 | 0.5° | 0.3° |
C14 | C05 | C06 | C02 | 179.5° | 179.7° |
C14 | C05 | C02 | O01 | 90.1° | 0.3° |
C14 | C05 | C02 | N03 | 91.6° | 180.0° |
C14 | C05 | C06 | H1 | 179.6° | 179.7° |
C07 | C06 | C05 | H1 | 180.0° | 180.0° |
C07 | C06 | C05 | C02 | 180.0° | 180.0° |
C06 | C07 | C08 | H3 | 180.0° | 180.0° |
C06 | C05 | C02 | O01 | 90.4° | 179.9° |
C06 | C05 | C02 | N03 | 87.9° | 0.3° |
C05 | C06 | C07 | H2 | 179.8° | 180.0° |
C06 | C05 | C14 | H4 | 179.5° | 180.0° |
C05 | C02 | O01 | N03 | 178.4° | 179.8° |
C05 | C02 | N03 | O04 | 179.2° | 179.7° |
C02 | C05 | C06 | H1 | 0.0° | 0.0° |
C02 | C05 | C14 | H4 | 0.0° | 0.3° |
C05 | C02 | N03 | H5 | 0.8° | 0.3° |
O01 | C02 | N03 | O04 | 0.8° | 0.0° |
O01 | C02 | N03 | H5 | 179.2° | 179.9° |
C02 | N03 | O04 | H5 | 180.0° | 180.0° |
C02 | N03 | O04 | H7 | 0.4° | 180.0° |
H1 | C06 | C07 | H2 | 0.1° | 0.0° |
H2 | C07 | C08 | H3 | 0.1° | 0.0° |
H5 | N03 | O04 | H7 | 179.6° | 0.0° |
H6 | N11 | O12 | H8 | 179.9° | 0.0° |