953
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL | C25 | sing | 1.74Å | 1.73Å | |
C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.34Å | Aromatic |
C23 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
C18 | C19 | sing | 1.51Å | 1.50Å | |
C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C19 | F22 | sing | 1.40Å | 1.32Å | |
C19 | F21 | sing | 1.40Å | 1.33Å | |
C19 | F20 | sing | 1.40Å | 1.32Å | |
C17 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
C16 | C15 | sing | 1.48Å | 1.47Å | |
C15 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
C15 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
N1 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
C11 | C12 | sing | 1.47Å | 1.52Å | |
C11 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
C12 | N14 | sing | 1.35Å | 1.28Å | |
C12 | O13 | doub | 1.22Å | 1.25Å | |
C10 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
C2 | C3 | sing | 1.48Å | 1.47Å | |
C3 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
C3 | N4 | sing | 1.33Å | 1.37Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
C8 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
N7 | C5 | sing | 1.33Å | 1.37Å | Aromatic |
C5 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
C5 | N6 | sing | 1.38Å | 1.38Å | |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
N14 | H141 | sing | 0.97Å | 1.00Å | |
N14 | H142 | sing | 0.97Å | 1.00Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N6 | H61N | sing | 0.97Å | 1.00Å | |
N6 | H62N | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL | C25 | C24 | 117.4° | 120.1° |
CL | C25 | C16 | 118.7° | 120.1° |
C24 | C25 | C16 | 123.8° | 119.8° |
C25 | C24 | C23 | 116.9° | 120.1° |
C25 | C24 | H24 | 121.6° | 120.0° |
C25 | C16 | C17 | 118.5° | 119.7° |
C25 | C16 | C15 | 121.5° | 120.2° |
C24 | C23 | C18 | 120.3° | 120.3° |
C23 | C24 | H24 | 121.5° | 119.9° |
C24 | C23 | H23 | 119.8° | 119.8° |
C23 | C18 | C19 | 116.8° | 120.0° |
C23 | C18 | C17 | 123.1° | 120.2° |
C18 | C23 | H23 | 119.9° | 119.8° |
C19 | C18 | C17 | 120.0° | 119.9° |
C18 | C19 | F22 | 112.4° | 109.4° |
C18 | C19 | F21 | 107.6° | 109.5° |
C18 | C19 | F20 | 110.1° | 109.5° |
C18 | C17 | C16 | 117.3° | 119.9° |
C18 | C17 | H17 | 121.3° | 120.1° |
F22 | C19 | F21 | 101.4° | 109.5° |
F22 | C19 | F20 | 114.4° | 109.5° |
F21 | C19 | F20 | 110.3° | 109.5° |
C17 | C16 | C15 | 119.8° | 120.2° |
C16 | C17 | H17 | 121.4° | 120.1° |
C16 | C15 | N1 | 122.0° | 126.1° |
C16 | C15 | C11 | 129.8° | 126.1° |
N1 | C15 | C11 | 108.1° | 107.8° |
C15 | N1 | C2 | 108.2° | 109.0° |
C15 | N1 | H1 | 125.9° | 125.4° |
C15 | C11 | C12 | 122.4° | 126.5° |
C15 | C11 | C10 | 108.1° | 106.9° |
N1 | C2 | C10 | 109.8° | 108.7° |
N1 | C2 | C3 | 123.3° | 125.6° |
C2 | N1 | H1 | 125.9° | 125.5° |
C12 | C11 | C10 | 129.4° | 126.5° |
C11 | C12 | N14 | 122.2° | 120.0° |
C11 | C12 | O13 | 120.0° | 120.0° |
C11 | C10 | C2 | 105.8° | 107.5° |
C11 | C10 | H10 | 127.1° | 126.3° |
N14 | C12 | O13 | 117.7° | 120.0° |
C12 | N14 | H141 | 120.0° | 120.0° |
C12 | N14 | H142 | 120.0° | 120.0° |
C10 | C2 | C3 | 126.7° | 125.6° |
C2 | C10 | H10 | 127.1° | 126.3° |
C2 | C3 | C9 | 123.3° | 120.5° |
C2 | C3 | N4 | 114.7° | 120.5° |
C9 | C3 | N4 | 122.0° | 119.0° |
C3 | C9 | C8 | 117.2° | 118.4° |
C3 | C9 | H9 | 121.4° | 120.8° |
C3 | N4 | C5 | 119.1° | 120.5° |
C9 | C8 | N7 | 120.9° | 119.3° |
C8 | C9 | H9 | 121.4° | 120.8° |
C9 | C8 | H8 | 119.6° | 120.3° |
C8 | N7 | C5 | 120.8° | 121.0° |
N7 | C8 | H8 | 119.5° | 120.4° |
N7 | C5 | N4 | 119.9° | 121.8° |
N7 | C5 | N6 | 123.4° | 119.1° |
N4 | C5 | N6 | 116.6° | 119.1° |
C5 | N6 | H61N | 109.5° | 120.0° |
C5 | N6 | H62N | 109.4° | 120.0° |
H141 | N14 | H142 | 120.0° | 120.0° |
H61N | N6 | H62N | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL | C25 | C24 | C16 | 177.1° | 179.7° |
CL | C25 | C24 | C23 | 174.8° | 179.9° |
CL | C25 | C16 | C17 | 174.7° | 179.8° |
CL | C25 | C16 | C15 | 0.5° | 0.0° |
CL | C25 | C24 | H24 | 5.2° | 0.1° |
C25 | C24 | C23 | H24 | 180.0° | 180.0° |
C25 | C24 | C23 | C18 | 2.0° | 0.1° |
C24 | C25 | C16 | C17 | 2.4° | 0.5° |
C24 | C25 | C16 | C15 | 177.5° | 179.7° |
C25 | C24 | C23 | H23 | 178.0° | 180.0° |
C16 | C25 | C24 | C23 | 2.3° | 0.3° |
C25 | C16 | C17 | C18 | 2.0° | 0.5° |
C25 | C16 | C17 | C15 | 175.3° | 179.7° |
C25 | C16 | C15 | N1 | 73.3° | 115.0° |
C25 | C16 | C15 | C11 | 101.4° | 64.7° |
C16 | C25 | C24 | H24 | 177.7° | 179.7° |
C25 | C16 | C17 | H17 | 178.0° | 179.7° |
C24 | C23 | C18 | H23 | 180.0° | 179.9° |
C24 | C23 | C18 | C19 | 179.9° | 180.0° |
C24 | C23 | C18 | C17 | 1.9° | 0.1° |
C23 | C18 | C19 | C17 | 178.3° | 179.9° |
C23 | C18 | C19 | F22 | 174.4° | 0.1° |
C23 | C18 | C19 | F21 | 74.8° | 119.9° |
C23 | C18 | C19 | F20 | 45.4° | 120.0° |
C23 | C18 | C17 | C16 | 1.8° | 0.2° |
C18 | C23 | C24 | H24 | 178.0° | 179.9° |
C23 | C18 | C17 | H17 | 178.2° | 180.0° |
C18 | C19 | F22 | F21 | 114.7° | 120.0° |
C18 | C19 | F22 | F20 | 126.6° | 120.0° |
C18 | C19 | F21 | F20 | 120.1° | 120.1° |
C19 | C18 | C17 | C16 | 180.0° | 179.7° |
C19 | C18 | C23 | H23 | 0.1° | 0.1° |
C19 | C18 | C17 | H17 | 0.0° | 0.1° |
C17 | C18 | C19 | F22 | 7.3° | 180.0° |
C17 | C18 | C19 | F21 | 103.5° | 60.0° |
C17 | C18 | C19 | F20 | 136.2° | 60.1° |
C18 | C17 | C16 | H17 | 180.0° | 179.8° |
C18 | C17 | C16 | C15 | 177.2° | 179.7° |
C17 | C18 | C23 | H23 | 178.1° | 180.0° |
F22 | C19 | F21 | F20 | 121.6° | 120.0° |
C17 | C16 | C15 | N1 | 101.8° | 65.3° |
C17 | C16 | C15 | C11 | 83.5° | 115.0° |
C16 | C15 | N1 | C11 | 175.8° | 179.7° |
C16 | C15 | N1 | C2 | 178.8° | 180.0° |
C16 | C15 | C11 | C12 | 0.6° | 0.0° |
C16 | C15 | C11 | C10 | 176.9° | 180.0° |
C15 | C16 | C17 | H17 | 2.8° | 0.0° |
C16 | C15 | N1 | H1 | 1.2° | 0.0° |
C15 | N1 | C2 | H1 | 180.0° | 180.0° |
N1 | C15 | C11 | C12 | 174.7° | 179.7° |
N1 | C15 | C11 | C10 | 1.6° | 0.2° |
C15 | N1 | C2 | C10 | 3.4° | 0.2° |
C15 | N1 | C2 | C3 | 178.1° | 180.0° |
C11 | C15 | N1 | C2 | 3.1° | 0.2° |
C15 | C11 | C12 | C10 | 175.4° | 179.9° |
C15 | C11 | C12 | N14 | 15.0° | 180.0° |
C15 | C11 | C12 | O13 | 163.7° | 0.1° |
C15 | C11 | C10 | C2 | 0.5° | 0.1° |
C11 | C15 | N1 | H1 | 177.0° | 179.7° |
C15 | C11 | C10 | H10 | 179.5° | 179.9° |
N1 | C2 | C10 | C11 | 2.4° | 0.0° |
N1 | C2 | C10 | C3 | 174.4° | 179.9° |
N1 | C2 | C3 | C9 | 177.9° | 0.0° |
N1 | C2 | C3 | N4 | 0.7° | 179.7° |
N1 | C2 | C10 | H10 | 177.6° | 179.9° |
C11 | C12 | N14 | O13 | 178.7° | 179.9° |
C12 | C11 | C10 | C2 | 176.4° | 179.8° |
C12 | C11 | C10 | H10 | 3.6° | 0.1° |
C11 | C12 | N14 | H141 | 178.7° | 0.0° |
C11 | C12 | N14 | H142 | 1.3° | 180.0° |
C10 | C11 | C12 | N14 | 169.6° | 0.1° |
C10 | C11 | C12 | O13 | 11.7° | 180.0° |
C11 | C10 | C2 | H10 | 180.0° | 179.9° |
C11 | C10 | C2 | C3 | 176.9° | 179.9° |
C12 | N14 | H141 | H142 | 180.0° | 180.0° |
O13 | C12 | N14 | H141 | 0.0° | 179.9° |
O13 | C12 | N14 | H142 | 180.0° | 0.1° |
C10 | C2 | C3 | C9 | 4.1° | 179.8° |
C10 | C2 | C3 | N4 | 174.5° | 0.2° |
C10 | C2 | N1 | H1 | 176.6° | 179.8° |
C2 | C3 | C9 | N4 | 178.5° | 179.6° |
C2 | C3 | C9 | C8 | 178.2° | 180.0° |
C2 | C3 | N4 | C5 | 176.7° | 179.8° |
C3 | C2 | N1 | H1 | 1.9° | 0.1° |
C3 | C2 | C10 | H10 | 3.2° | 0.0° |
C2 | C3 | C9 | H9 | 1.8° | 0.1° |
C3 | C9 | C8 | H9 | 180.0° | 180.0° |
C3 | C9 | C8 | N7 | 0.6° | 0.0° |
C9 | C3 | N4 | C5 | 1.9° | 0.6° |
C3 | C9 | C8 | H8 | 179.5° | 180.0° |
N4 | C3 | C9 | C8 | 0.3° | 0.3° |
C3 | N4 | C5 | N7 | 2.7° | 0.6° |
C3 | N4 | C5 | N6 | 179.8° | 179.7° |
N4 | C3 | C9 | H9 | 179.7° | 179.7° |
C9 | C8 | N7 | H8 | 180.0° | 180.0° |
C9 | C8 | N7 | C5 | 0.2° | 0.0° |
C8 | N7 | C5 | N4 | 1.9° | 0.3° |
C8 | N7 | C5 | N6 | 178.8° | 180.0° |
N7 | C8 | C9 | H9 | 179.4° | 180.0° |
N7 | C5 | N4 | N6 | 177.1° | 179.7° |
C5 | N7 | C8 | H8 | 179.8° | 180.0° |
N7 | C5 | N6 | H61N | 0.0° | 0.0° |
N7 | C5 | N6 | H62N | 120.0° | 180.0° |
N4 | C5 | N6 | H61N | 177.0° | 179.7° |
N4 | C5 | N6 | H62N | 57.0° | 0.3° |
C5 | N6 | H61N | H62N | 120.0° | 180.0° |
H24 | C24 | C23 | H23 | 2.0° | 0.0° |
H9 | C9 | C8 | H8 | 0.5° | 0.0° |