GNV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C13 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
C12 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
O11 | C09 | doub | 1.21Å | 1.26Å | |
C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
C08 | C09 | sing | 1.47Å | 1.53Å | |
C08 | C07 | doub | 1.42Å | 1.41Å | Aromatic |
C09 | O10 | sing | 1.35Å | 1.26Å | |
C15 | C07 | sing | 1.41Å | 1.38Å | Aromatic |
C15 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
C07 | N06 | sing | 1.34Å | 1.35Å | Aromatic |
O17 | C16 | sing | 1.35Å | 1.19Å | |
C16 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
N06 | C05 | doub | 1.31Å | 1.33Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C04 | C02 | sing | 1.47Å | 1.53Å | |
O01 | C02 | doub | 1.22Å | 1.26Å | |
C02 | O03 | sing | 1.35Å | 1.26Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H4 | sing | 1.08Å | 1.08Å | |
C14 | H5 | sing | 1.08Å | 1.08Å | |
O03 | H6 | sing | 0.97Å | 0.95Å | |
O10 | H7 | sing | 0.97Å | 0.95Å | |
O17 | H2 | sing | 0.97Å | 0.95Å | |
C05 | H3 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C13 | C14 | 120.0° | 121.0° |
C13 | C12 | C08 | 120.2° | 120.6° |
C12 | C13 | H1 | 120.0° | 119.5° |
C13 | C12 | H4 | 119.9° | 119.7° |
C13 | C14 | C15 | 119.8° | 120.1° |
C14 | C13 | H1 | 120.0° | 119.4° |
C13 | C14 | H5 | 120.1° | 120.0° |
C12 | C08 | C09 | 119.6° | 120.3° |
C12 | C08 | C07 | 119.9° | 119.5° |
C08 | C12 | H4 | 119.9° | 119.7° |
O11 | C09 | C08 | 119.8° | 120.0° |
O11 | C09 | O10 | 120.3° | 120.0° |
C14 | C15 | C07 | 120.4° | 119.9° |
C14 | C15 | C16 | 119.6° | 121.0° |
C15 | C14 | H5 | 120.1° | 119.9° |
C09 | C08 | C07 | 120.5° | 120.3° |
C08 | C09 | O10 | 119.8° | 120.0° |
C08 | C07 | C15 | 119.7° | 118.9° |
C08 | C07 | N06 | 119.6° | 120.8° |
C09 | O10 | H7 | 109.5° | 117.0° |
C07 | C15 | C16 | 119.9° | 119.0° |
C15 | C07 | N06 | 120.7° | 120.4° |
C15 | C16 | O17 | 120.4° | 121.1° |
C15 | C16 | C04 | 118.2° | 117.8° |
C07 | N06 | C05 | 120.3° | 122.0° |
O17 | C16 | C04 | 121.5° | 121.1° |
C16 | O17 | H2 | 109.5° | 114.0° |
C16 | C04 | C05 | 118.6° | 119.3° |
C16 | C04 | C02 | 120.6° | 120.4° |
N06 | C05 | C04 | 122.3° | 121.6° |
N06 | C05 | H3 | 118.9° | 119.2° |
C05 | C04 | C02 | 120.9° | 120.4° |
C04 | C05 | H3 | 118.8° | 119.2° |
C04 | C02 | O01 | 119.9° | 119.9° |
C04 | C02 | O03 | 120.2° | 120.0° |
O01 | C02 | O03 | 119.9° | 120.1° |
C02 | O03 | H6 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C13 | C14 | H1 | 180.0° | 179.8° |
C13 | C12 | C08 | H4 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.3° | 0.1° |
C13 | C12 | C08 | C09 | 179.9° | 179.9° |
C13 | C12 | C08 | C07 | 0.1° | 0.1° |
C12 | C13 | C14 | H5 | 179.7° | 180.0° |
C14 | C13 | C12 | C08 | 0.3° | 0.1° |
C13 | C14 | C15 | H5 | 180.0° | 180.0° |
C13 | C14 | C15 | C07 | 0.3° | 0.0° |
C13 | C14 | C15 | C16 | 179.8° | 180.0° |
C14 | C13 | C12 | H4 | 179.8° | 180.0° |
C12 | C08 | C09 | O11 | 30.1° | 180.0° |
C12 | C08 | C09 | C07 | 179.8° | 180.0° |
C12 | C08 | C09 | O10 | 149.6° | 0.1° |
C12 | C08 | C07 | C15 | 0.1° | 0.0° |
C12 | C08 | C07 | N06 | 179.7° | 180.0° |
C08 | C12 | C13 | H1 | 179.7° | 179.7° |
O11 | C09 | C08 | O10 | 179.7° | 179.9° |
O11 | C09 | C08 | C07 | 150.1° | 0.0° |
O11 | C09 | O10 | H7 | 0.0° | 0.1° |
C14 | C15 | C07 | C08 | 0.2° | 0.0° |
C14 | C15 | C07 | C16 | 179.9° | 180.0° |
C14 | C15 | C07 | N06 | 179.6° | 180.0° |
C14 | C15 | C16 | O17 | 0.1° | 0.1° |
C14 | C15 | C16 | C04 | 179.9° | 180.0° |
C15 | C14 | C13 | H1 | 179.7° | 179.7° |
C09 | C08 | C07 | C15 | 179.9° | 179.9° |
C09 | C08 | C07 | N06 | 0.1° | 0.0° |
C09 | C08 | C12 | H4 | 0.1° | 0.0° |
C08 | C09 | O10 | H7 | 179.7° | 180.0° |
C07 | C08 | C09 | O10 | 30.2° | 179.9° |
C08 | C07 | C15 | N06 | 179.8° | 180.0° |
C08 | C07 | C15 | C16 | 179.9° | 180.0° |
C08 | C07 | N06 | C05 | 179.8° | 180.0° |
C07 | C08 | C12 | H4 | 179.9° | 180.0° |
C07 | C15 | C16 | O17 | 180.0° | 180.0° |
C07 | C15 | C16 | C04 | 0.0° | 0.0° |
C15 | C07 | N06 | C05 | 0.0° | 0.0° |
C07 | C15 | C14 | H5 | 179.7° | 180.0° |
C16 | C15 | C07 | N06 | 0.3° | 0.0° |
C15 | C16 | O17 | C04 | 180.0° | 179.9° |
C15 | C16 | C04 | C05 | 0.6° | 0.1° |
C15 | C16 | C04 | C02 | 179.6° | 180.0° |
C16 | C15 | C14 | H5 | 0.2° | 0.0° |
C15 | C16 | O17 | H2 | 174.0° | 90.0° |
C07 | N06 | C05 | C04 | 0.6° | 0.0° |
C07 | N06 | C05 | H3 | 179.4° | 180.0° |
O17 | C16 | C04 | C05 | 179.4° | 180.0° |
O17 | C16 | C04 | C02 | 0.4° | 0.1° |
C16 | C04 | C05 | N06 | 0.9° | 0.0° |
C16 | C04 | C05 | C02 | 179.0° | 180.0° |
C16 | C04 | C02 | O01 | 15.4° | 0.0° |
C16 | C04 | C02 | O03 | 163.4° | 179.9° |
C04 | C16 | O17 | H2 | 5.9° | 90.1° |
C16 | C04 | C05 | H3 | 179.1° | 179.9° |
N06 | C05 | C04 | H3 | 180.0° | 180.0° |
N06 | C05 | C04 | C02 | 179.9° | 180.0° |
C05 | C04 | C02 | O01 | 165.7° | 180.0° |
C05 | C04 | C02 | O03 | 15.5° | 0.0° |
C04 | C02 | O01 | O03 | 178.8° | 180.0° |
C04 | C02 | O03 | H6 | 178.8° | 179.9° |
C02 | C04 | C05 | H3 | 0.1° | 0.0° |
O01 | C02 | O03 | H6 | 0.0° | 0.0° |
H1 | C13 | C12 | H4 | 0.2° | 0.3° |
H1 | C13 | C14 | H5 | 0.3° | 0.3° |