HLZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
C1 | C6 | sing | 1.41Å | 1.49Å | Aromatic |
C1 | N11 | sing | 1.38Å | 1.35Å | |
N2 | N3 | sing | 1.28Å | 1.41Å | Aromatic |
N3 | C4 | doub | 1.31Å | 1.35Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.42Å | 1.49Å | Aromatic |
C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
C9 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
N11 | N12 | sing | 1.37Å | 1.40Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
N11 | HN11 | sing | 0.97Å | 1.00Å | |
N12 | HN12 | sing | 1.01Å | 1.00Å | |
N12 | HN1A | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | C6 | 118.5° | 118.7° |
N2 | C1 | N11 | 120.5° | 120.6° |
C1 | N2 | N3 | 121.5° | 123.2° |
C6 | C1 | N11 | 121.0° | 120.6° |
C1 | C6 | C5 | 117.4° | 117.7° |
C1 | C6 | C7 | 123.0° | 122.8° |
C1 | N11 | N12 | 120.0° | 120.0° |
C1 | N11 | HN11 | 106.1° | 120.0° |
N2 | N3 | C4 | 122.9° | 123.5° |
N3 | C4 | C5 | 120.6° | 119.1° |
N3 | C4 | H4 | 119.7° | 120.4° |
C4 | C5 | C6 | 119.0° | 117.7° |
C4 | C5 | C10 | 121.9° | 122.8° |
C5 | C4 | H4 | 119.7° | 120.5° |
C6 | C5 | C10 | 119.2° | 119.5° |
C5 | C6 | C7 | 119.6° | 119.5° |
C5 | C10 | C9 | 119.4° | 119.4° |
C5 | C10 | H10 | 120.3° | 120.3° |
C6 | C7 | C8 | 119.2° | 119.4° |
C6 | C7 | H7 | 120.4° | 120.3° |
C7 | C8 | C9 | 121.3° | 121.1° |
C8 | C7 | H7 | 120.4° | 120.3° |
C7 | C8 | H8 | 119.3° | 119.5° |
C8 | C9 | C10 | 121.4° | 121.1° |
C9 | C8 | H8 | 119.3° | 119.4° |
C8 | C9 | H9 | 119.3° | 119.5° |
C10 | C9 | H9 | 119.3° | 119.5° |
C9 | C10 | H10 | 120.3° | 120.3° |
N12 | N11 | HN11 | 106.1° | 120.0° |
N11 | N12 | HN12 | 109.5° | 111.0° |
N11 | N12 | HN1A | 109.5° | 111.0° |
HN12 | N12 | HN1A | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | C6 | N11 | 179.9° | 179.7° |
C1 | N2 | N3 | C4 | 0.0° | 0.1° |
N2 | C1 | C6 | C5 | 0.2° | 0.0° |
N2 | C1 | C6 | C7 | 180.0° | 179.9° |
N2 | C1 | N11 | N12 | 107.2° | 0.1° |
N2 | C1 | N11 | HN11 | 132.9° | 180.0° |
C6 | C1 | N2 | N3 | 0.2° | 0.0° |
C1 | C6 | C5 | C4 | 0.1° | 0.0° |
C1 | C6 | C5 | C7 | 179.8° | 180.0° |
C1 | C6 | C5 | C10 | 179.9° | 180.0° |
C1 | C6 | C7 | C8 | 179.9° | 180.0° |
C6 | C1 | N11 | N12 | 72.8° | 179.7° |
C1 | C6 | C7 | H7 | 0.1° | 0.1° |
C6 | C1 | N11 | HN11 | 47.2° | 0.3° |
N11 | C1 | N2 | N3 | 179.8° | 179.7° |
N11 | C1 | C6 | C5 | 179.7° | 179.7° |
N11 | C1 | C6 | C7 | 0.0° | 0.2° |
C1 | N11 | N12 | HN11 | 120.0° | 179.9° |
C1 | N11 | N12 | HN12 | 180.0° | 56.0° |
C1 | N11 | N12 | HN1A | 60.0° | 180.0° |
N2 | N3 | C4 | C5 | 0.0° | 0.1° |
N2 | N3 | C4 | H4 | 180.0° | 180.0° |
N3 | C4 | C5 | H4 | 180.0° | 179.9° |
N3 | C4 | C5 | C6 | 0.0° | 0.1° |
N3 | C4 | C5 | C10 | 180.0° | 180.0° |
C4 | C5 | C6 | C10 | 179.9° | 179.9° |
C4 | C5 | C6 | C7 | 179.9° | 179.9° |
C4 | C5 | C10 | C9 | 180.0° | 180.0° |
C4 | C5 | C10 | H10 | 0.0° | 0.1° |
C5 | C6 | C7 | C8 | 0.2° | 0.1° |
C6 | C5 | C10 | C9 | 0.1° | 0.1° |
C6 | C5 | C4 | H4 | 180.0° | 179.9° |
C5 | C6 | C7 | H7 | 179.8° | 180.0° |
C6 | C5 | C10 | H10 | 179.9° | 180.0° |
C10 | C5 | C6 | C7 | 0.2° | 0.0° |
C5 | C10 | C9 | C8 | 0.1° | 0.1° |
C5 | C10 | C9 | H10 | 180.0° | 179.9° |
C10 | C5 | C4 | H4 | 0.0° | 0.1° |
C5 | C10 | C9 | H9 | 179.9° | 180.0° |
C6 | C7 | C8 | H7 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.1° | 0.1° |
C6 | C7 | C8 | H8 | 179.9° | 180.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.1° | 0.0° |
C7 | C8 | C9 | H9 | 179.9° | 179.9° |
C8 | C9 | C10 | H9 | 180.0° | 179.9° |
C9 | C8 | C7 | H7 | 179.9° | 180.0° |
C8 | C9 | C10 | H10 | 180.0° | 180.0° |
C10 | C9 | C8 | H8 | 179.9° | 180.0° |
N11 | N12 | HN12 | HN1A | 120.0° | 123.9° |
H7 | C7 | C8 | H8 | 0.1° | 0.1° |
H8 | C8 | C9 | H9 | 0.1° | 0.0° |
H9 | C9 | C10 | H10 | 0.0° | 0.1° |
HN11 | N11 | N12 | HN12 | 60.0° | 123.9° |
HN11 | N11 | N12 | HN1A | 180.0° | 0.1° |