M0Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
N10 | C09 | sing | 1.33Å | 1.33Å | Aromatic |
C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
C09 | C08 | doub | 1.36Å | 1.39Å | Aromatic |
N02 | C01 | sing | 1.47Å | 1.44Å | |
N02 | C03 | sing | 1.39Å | 1.45Å | |
C12 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
C12 | C07 | sing | 1.42Å | 1.37Å | Aromatic |
C08 | C07 | sing | 1.41Å | 1.43Å | Aromatic |
C03 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
C07 | N06 | doub | 1.33Å | 1.37Å | Aromatic |
C04 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
N06 | C05 | sing | 1.32Å | 1.33Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
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 | N10 | C09 | 123.4° | 122.6° |
N10 | C11 | C12 | 119.3° | 119.9° |
N10 | C11 | H8 | 120.4° | 120.0° |
N10 | C09 | C08 | 119.6° | 121.9° |
N10 | C09 | H7 | 120.2° | 119.1° |
C11 | C12 | C03 | 121.3° | 122.2° |
C11 | C12 | C07 | 120.0° | 118.9° |
C12 | C11 | H8 | 120.4° | 120.1° |
C09 | C08 | C07 | 119.8° | 118.7° |
C09 | C08 | H6 | 120.1° | 120.7° |
C08 | C09 | H7 | 120.2° | 119.0° |
C01 | N02 | C03 | 119.6° | 120.0° |
N02 | C01 | H1 | 109.5° | 109.5° |
N02 | C01 | H2 | 109.5° | 109.5° |
N02 | C01 | H3 | 109.4° | 109.4° |
C01 | N02 | H9 | 106.9° | 120.0° |
N02 | C03 | C12 | 119.5° | 121.1° |
N02 | C03 | C04 | 121.5° | 121.1° |
C03 | N02 | H9 | 106.9° | 120.0° |
C03 | C12 | C07 | 118.7° | 118.9° |
C12 | C03 | C04 | 119.0° | 117.8° |
C12 | C07 | C08 | 118.1° | 117.9° |
C12 | C07 | N06 | 120.6° | 120.1° |
C08 | C07 | N06 | 121.3° | 121.9° |
C07 | C08 | H6 | 120.1° | 120.6° |
C03 | C04 | C05 | 119.0° | 119.8° |
C03 | C04 | H4 | 120.5° | 120.1° |
C07 | N06 | C05 | 122.1° | 121.5° |
C04 | C05 | N06 | 120.5° | 121.9° |
C05 | C04 | H4 | 120.5° | 120.1° |
C04 | C05 | H5 | 119.7° | 119.1° |
N06 | C05 | H5 | 119.7° | 119.1° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C11 | C12 | H8 | 180.0° | 180.0° |
C11 | N10 | C09 | C08 | 0.5° | 0.0° |
N10 | C11 | C12 | C03 | 179.5° | 180.0° |
N10 | C11 | C12 | C07 | 0.5° | 0.0° |
C11 | N10 | C09 | H7 | 179.5° | 180.0° |
C09 | N10 | C11 | C12 | 0.7° | 0.0° |
N10 | C09 | C08 | H7 | 180.0° | 180.0° |
N10 | C09 | C08 | C07 | 0.1° | 0.0° |
N10 | C09 | C08 | H6 | 179.9° | 179.9° |
C09 | N10 | C11 | H8 | 179.3° | 180.0° |
C11 | C12 | C03 | N02 | 0.4° | 0.3° |
C11 | C12 | C03 | C07 | 180.0° | 179.9° |
C11 | C12 | C07 | C08 | 0.1° | 0.0° |
C11 | C12 | C03 | C04 | 179.9° | 179.9° |
C11 | C12 | C07 | N06 | 179.8° | 180.0° |
C09 | C08 | C07 | C12 | 0.0° | 0.0° |
C09 | C08 | C07 | H6 | 180.0° | 179.9° |
C09 | C08 | C07 | N06 | 180.0° | 180.0° |
C01 | N02 | C03 | H9 | 121.4° | 180.0° |
C01 | N02 | C03 | C12 | 168.3° | 179.7° |
C01 | N02 | C03 | C04 | 12.0° | 0.0° |
N02 | C01 | H1 | H2 | 120.0° | 120.0° |
N02 | C01 | H1 | H3 | 120.0° | 120.0° |
N02 | C01 | H2 | H3 | 120.0° | 119.9° |
N02 | C03 | C12 | C04 | 179.7° | 179.8° |
N02 | C03 | C12 | C07 | 179.6° | 179.8° |
N02 | C03 | C04 | C05 | 179.7° | 179.7° |
C03 | N02 | C01 | H1 | 180.0° | 60.0° |
C03 | N02 | C01 | H2 | 60.0° | 60.1° |
C03 | N02 | C01 | H3 | 60.0° | 180.0° |
N02 | C03 | C04 | H4 | 0.3° | 0.3° |
C03 | C12 | C07 | C08 | 179.9° | 180.0° |
C03 | C12 | C07 | N06 | 0.1° | 0.0° |
C12 | C03 | C04 | C05 | 0.0° | 0.1° |
C12 | C03 | C04 | H4 | 180.0° | 180.0° |
C03 | C12 | C11 | H8 | 0.5° | 0.1° |
C12 | C03 | N02 | H9 | 46.9° | 0.2° |
C12 | C07 | C08 | N06 | 180.0° | 180.0° |
C07 | C12 | C03 | C04 | 0.1° | 0.0° |
C12 | C07 | N06 | C05 | 0.0° | 0.0° |
C12 | C07 | C08 | H6 | 179.9° | 179.9° |
C07 | C12 | C11 | H8 | 179.5° | 180.0° |
C08 | C07 | N06 | C05 | 180.0° | 180.0° |
C07 | C08 | C09 | H7 | 179.9° | 180.0° |
C03 | C04 | C05 | H4 | 180.0° | 180.0° |
C03 | C04 | C05 | N06 | 0.1° | 0.1° |
C03 | C04 | C05 | H5 | 179.9° | 180.0° |
C04 | C03 | N02 | H9 | 133.4° | 180.0° |
C07 | N06 | C05 | C04 | 0.1° | 0.1° |
C07 | N06 | C05 | H5 | 179.9° | 180.0° |
N06 | C07 | C08 | H6 | 0.1° | 0.0° |
C04 | C05 | N06 | H5 | 180.0° | 179.9° |
N06 | C05 | C04 | H4 | 179.9° | 179.9° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | N02 | H9 | 58.6° | 120.0° |
H2 | C01 | N02 | H9 | 61.4° | 120.0° |
H3 | C01 | N02 | H9 | 178.6° | 0.0° |
H4 | C04 | C05 | H5 | 0.1° | 0.0° |
H6 | C08 | C09 | H7 | 0.1° | 0.1° |