M0W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
N02 | C01 | sing | 1.46Å | 1.46Å | |
N02 | C03 | sing | 1.38Å | 1.45Å | |
C12 | C03 | doub | 1.42Å | 1.43Å | Aromatic |
C12 | C07 | sing | 1.42Å | 1.36Å | Aromatic |
C08 | C07 | sing | 1.40Å | 1.42Å | Aromatic |
C03 | N04 | sing | 1.33Å | 1.33Å | Aromatic |
C07 | N06 | doub | 1.34Å | 1.36Å | Aromatic |
N04 | C05 | doub | 1.32Å | 1.32Å | Aromatic |
N06 | C05 | sing | 1.31Å | 1.32Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
C11 | H8 | sing | 1.08Å | 1.08Å | |
N02 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C09 | 120.0° | 121.0° |
C10 | C11 | C12 | 119.8° | 119.5° |
C11 | C10 | H1 | 120.0° | 119.5° |
C10 | C11 | H8 | 120.1° | 120.3° |
C10 | C09 | C08 | 119.8° | 121.0° |
C09 | C10 | H1 | 120.0° | 119.5° |
C10 | C09 | H7 | 120.1° | 119.5° |
C11 | C12 | C03 | 121.8° | 122.1° |
C11 | C12 | C07 | 120.4° | 119.7° |
C12 | C11 | H8 | 120.1° | 120.2° |
C09 | C08 | C07 | 120.0° | 119.6° |
C09 | C08 | H6 | 120.0° | 120.2° |
C08 | C09 | H7 | 120.1° | 119.5° |
C01 | N02 | C03 | 117.7° | 120.0° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.5° | 109.5° |
N02 | C01 | H4 | 109.5° | 109.5° |
C01 | N02 | H9 | 107.4° | 120.0° |
N02 | C03 | C12 | 121.2° | 120.9° |
N02 | C03 | N04 | 119.0° | 120.9° |
C03 | N02 | H9 | 107.4° | 120.0° |
C03 | C12 | C07 | 117.8° | 118.2° |
C12 | C03 | N04 | 119.8° | 118.2° |
C12 | C07 | C08 | 120.1° | 119.3° |
C12 | C07 | N06 | 118.2° | 118.8° |
C08 | C07 | N06 | 121.7° | 122.0° |
C07 | C08 | H6 | 120.0° | 120.2° |
C03 | N04 | C05 | 121.3° | 121.5° |
C07 | N06 | C05 | 123.0° | 120.5° |
N04 | C05 | N06 | 119.8° | 123.0° |
N04 | C05 | H5 | 120.1° | 118.5° |
N06 | C05 | H5 | 120.1° | 118.6° |
H2 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H4 | 109.5° | 109.5° |
H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C09 | H1 | 180.0° | 179.8° |
C10 | C11 | C12 | H8 | 180.0° | 179.9° |
C11 | C10 | C09 | C08 | 0.4° | 0.0° |
C10 | C11 | C12 | C03 | 179.6° | 180.0° |
C10 | C11 | C12 | C07 | 0.1° | 0.0° |
C11 | C10 | C09 | H7 | 179.6° | 179.9° |
C09 | C10 | C11 | C12 | 0.1° | 0.0° |
C10 | C09 | C08 | H7 | 180.0° | 179.9° |
C10 | C09 | C08 | C07 | 0.6° | 0.1° |
C10 | C09 | C08 | H6 | 179.4° | 180.0° |
C09 | C10 | C11 | H8 | 179.9° | 179.9° |
C11 | C12 | C03 | N02 | 0.5° | 0.0° |
C11 | C12 | C03 | C07 | 179.5° | 180.0° |
C11 | C12 | C07 | C08 | 0.1° | 0.0° |
C11 | C12 | C03 | N04 | 179.8° | 180.0° |
C11 | C12 | C07 | N06 | 179.9° | 180.0° |
C12 | C11 | C10 | H1 | 179.9° | 179.8° |
C09 | C08 | C07 | C12 | 0.4° | 0.1° |
C09 | C08 | C07 | H6 | 180.0° | 179.9° |
C09 | C08 | C07 | N06 | 179.5° | 180.0° |
C08 | C09 | C10 | H1 | 179.6° | 179.8° |
C01 | N02 | C03 | H9 | 121.2° | 180.0° |
C01 | N02 | C03 | C12 | 160.1° | 180.0° |
C01 | N02 | C03 | N04 | 19.7° | 0.0° |
N02 | C01 | H2 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H4 | 120.0° | 120.0° |
N02 | C01 | H3 | H4 | 120.0° | 120.0° |
N02 | C03 | C12 | N04 | 179.7° | 180.0° |
N02 | C03 | C12 | C07 | 179.1° | 180.0° |
N02 | C03 | N04 | C05 | 179.6° | 180.0° |
C03 | N02 | C01 | H2 | 180.0° | 59.9° |
C03 | N02 | C01 | H3 | 60.0° | 60.0° |
C03 | N02 | C01 | H4 | 60.0° | 180.0° |
C03 | C12 | C07 | C08 | 179.4° | 180.0° |
C03 | C12 | C07 | N06 | 0.6° | 0.0° |
C12 | C03 | N04 | C05 | 0.2° | 0.0° |
C03 | C12 | C11 | H8 | 0.4° | 0.1° |
C12 | C03 | N02 | H9 | 38.9° | 0.0° |
C12 | C07 | C08 | N06 | 180.0° | 180.0° |
C07 | C12 | C03 | N04 | 0.7° | 0.0° |
C12 | C07 | N06 | C05 | 0.0° | 0.0° |
C12 | C07 | C08 | H6 | 179.6° | 180.0° |
C07 | C12 | C11 | H8 | 179.9° | 179.9° |
C08 | C07 | N06 | C05 | 180.0° | 180.0° |
C07 | C08 | C09 | H7 | 179.4° | 180.0° |
C03 | N04 | C05 | N06 | 0.4° | 0.0° |
C03 | N04 | C05 | H5 | 179.6° | 180.0° |
N04 | C03 | N02 | H9 | 140.9° | 180.0° |
C07 | N06 | C05 | N04 | 0.5° | 0.0° |
C07 | N06 | C05 | H5 | 179.5° | 180.0° |
N06 | C07 | C08 | H6 | 0.5° | 0.0° |
N04 | C05 | N06 | H5 | 180.0° | 180.0° |
H1 | C10 | C09 | H7 | 0.5° | 0.3° |
H1 | C10 | C11 | H8 | 0.1° | 0.2° |
H2 | C01 | H3 | H4 | 120.0° | 120.0° |
H2 | C01 | N02 | H9 | 58.8° | 120.0° |
H3 | C01 | N02 | H9 | 61.2° | 120.0° |
H4 | C01 | N02 | H9 | 178.8° | 0.0° |
H6 | C08 | C09 | H7 | 0.6° | 0.1° |