MY6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N4 | C1 | sing | 1.47Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
C3 | N2 | doub | 1.31Å | 1.34Å | Aromatic |
N2 | C12 | sing | 1.34Å | 1.34Å | Aromatic |
C3 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
C12 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.45Å | |
C6 | N8 | sing | 1.35Å | 1.39Å | |
C6 | O7 | doub | 1.22Å | 1.37Å | |
C9 | N8 | sing | 1.36Å | 1.38Å | |
N8 | HN8 | sing | 0.97Å | 1.00Å | |
N11 | C9 | doub | 1.31Å | 1.38Å | |
C9 | N10 | sing | 1.37Å | 1.34Å | |
N10 | HN10 | sing | 0.97Å | 1.00Å | |
N10 | HN1A | sing | 0.97Å | 1.00Å | |
C12 | N11 | sing | 1.35Å | 1.39Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N4 | C1 | H1 | 109.5° | 109.5° |
N4 | C1 | H1A | 109.4° | 109.4° |
N4 | C1 | H1B | 109.5° | 109.4° |
C1 | N4 | C3 | 121.7° | 126.5° |
C1 | N4 | C5 | 128.4° | 126.5° |
H1 | C1 | H1A | 109.5° | 109.5° |
H1 | C1 | H1B | 109.4° | 109.5° |
H1A | C1 | H1B | 109.5° | 109.5° |
C3 | N2 | C12 | 109.1° | 109.8° |
N2 | C3 | N4 | 109.0° | 110.0° |
N2 | C3 | H3 | 125.5° | 125.0° |
N2 | C12 | C5 | 107.3° | 106.9° |
N2 | C12 | N11 | 132.1° | 133.8° |
N4 | C3 | H3 | 125.5° | 125.0° |
C3 | N4 | C5 | 109.9° | 107.1° |
N4 | C5 | C12 | 104.8° | 106.2° |
N4 | C5 | C6 | 138.0° | 134.7° |
C12 | C5 | C6 | 117.2° | 119.1° |
C5 | C12 | N11 | 120.6° | 119.2° |
C5 | C6 | N8 | 119.2° | 118.4° |
C5 | C6 | O7 | 122.9° | 120.8° |
N8 | C6 | O7 | 117.9° | 120.8° |
C6 | N8 | C9 | 122.4° | 120.3° |
C6 | N8 | HN8 | 118.8° | 119.8° |
C9 | N8 | HN8 | 118.8° | 119.9° |
N8 | C9 | N11 | 119.3° | 122.0° |
N8 | C9 | N10 | 120.8° | 119.0° |
N11 | C9 | N10 | 119.9° | 119.0° |
C9 | N11 | C12 | 121.3° | 121.0° |
C9 | N10 | HN10 | 120.0° | 120.1° |
C9 | N10 | HN1A | 120.0° | 120.0° |
HN10 | N10 | HN1A | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N4 | C1 | H1 | H1A | 120.0° | 120.0° |
N4 | C1 | H1 | H1B | 120.0° | 120.0° |
N4 | C1 | H1A | H1B | 120.0° | 119.9° |
C1 | N4 | C3 | N2 | 179.7° | 180.0° |
C1 | N4 | C3 | C5 | 179.3° | 180.0° |
C1 | N4 | C3 | H3 | 0.3° | 0.0° |
C1 | N4 | C5 | C12 | 179.6° | 180.0° |
C1 | N4 | C5 | C6 | 1.1° | 0.0° |
H1 | C1 | H1A | H1B | 120.0° | 120.1° |
H1 | C1 | N4 | C3 | 180.0° | 90.0° |
H1 | C1 | N4 | C5 | 0.9° | 90.0° |
H1A | C1 | N4 | C3 | 60.0° | 150.0° |
H1A | C1 | N4 | C5 | 119.2° | 30.0° |
H1B | C1 | N4 | C3 | 60.0° | 30.0° |
H1B | C1 | N4 | C5 | 120.8° | 150.0° |
N2 | C3 | N4 | H3 | 180.0° | 180.0° |
N2 | C3 | N4 | C5 | 0.4° | 0.0° |
C3 | N2 | C12 | C5 | 0.1° | 0.0° |
C3 | N2 | C12 | N11 | 179.9° | 180.0° |
C12 | N2 | C3 | N4 | 0.3° | 0.0° |
C12 | N2 | C3 | H3 | 179.6° | 180.0° |
N2 | C12 | C5 | N4 | 0.1° | 0.0° |
N2 | C12 | C5 | N11 | 180.0° | 180.0° |
N2 | C12 | C5 | C6 | 179.6° | 180.0° |
N2 | C12 | N11 | C9 | 179.9° | 180.0° |
C3 | N4 | C5 | C12 | 0.3° | 0.0° |
C3 | N4 | C5 | C6 | 179.7° | 180.0° |
H3 | C3 | N4 | C5 | 179.5° | 180.0° |
N4 | C5 | C12 | C6 | 179.5° | 180.0° |
N4 | C5 | C6 | N8 | 179.9° | 180.0° |
N4 | C5 | C6 | O7 | 1.1° | 0.0° |
N4 | C5 | C12 | N11 | 179.8° | 180.0° |
C12 | C5 | C6 | N8 | 0.7° | 0.0° |
C12 | C5 | C6 | O7 | 179.7° | 180.0° |
C5 | C12 | N11 | C9 | 0.0° | 0.0° |
C5 | C6 | N8 | O7 | 179.0° | 180.0° |
C5 | C6 | N8 | C9 | 0.7° | 0.0° |
C5 | C6 | N8 | HN8 | 179.3° | 179.9° |
C6 | C5 | C12 | N11 | 0.4° | 0.0° |
C6 | N8 | C9 | HN8 | 180.0° | 179.9° |
C6 | N8 | C9 | N11 | 0.3° | 0.0° |
C6 | N8 | C9 | N10 | 180.0° | 180.0° |
O7 | C6 | N8 | C9 | 179.7° | 180.0° |
O7 | C6 | N8 | HN8 | 0.3° | 0.1° |
N8 | C9 | N11 | N10 | 179.6° | 180.0° |
N8 | C9 | N10 | HN10 | 179.6° | 0.0° |
N8 | C9 | N10 | HN1A | 0.4° | 180.0° |
N8 | C9 | N11 | C12 | 0.0° | 0.0° |
HN8 | N8 | C9 | N11 | 179.7° | 179.9° |
HN8 | N8 | C9 | N10 | 0.1° | 0.1° |
N11 | C9 | N10 | HN10 | 0.0° | 180.0° |
N11 | C9 | N10 | HN1A | 180.0° | 0.0° |
C9 | N10 | HN10 | HN1A | 180.0° | 180.0° |
N10 | C9 | N11 | C12 | 179.6° | 180.0° |