GY7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F2 | C21 | sing | 1.35Å | 1.35Å | |
C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
O1 | C3 | doub | 1.22Å | 1.23Å | |
C2 | C3 | sing | 1.47Å | 1.50Å | |
C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
C3 | N1 | sing | 1.35Å | 1.34Å | |
C24 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
C1 | F1 | sing | 1.35Å | 1.35Å | |
N1 | C4 | sing | 1.47Å | 1.48Å | |
N1 | C20 | sing | 1.47Å | 1.47Å | |
C4 | C18 | sing | 1.54Å | 1.54Å | |
C4 | C5 | sing | 1.51Å | 1.51Å | |
C20 | C19 | sing | 1.55Å | 1.51Å | |
N4 | C5 | sing | 1.35Å | 1.36Å | |
N4 | C17 | sing | 1.35Å | 1.38Å | |
C18 | C19 | sing | 1.55Å | 1.52Å | |
C5 | N2 | doub | 1.30Å | 1.33Å | |
O4 | C17 | doub | 1.22Å | 1.24Å | |
C17 | C16 | sing | 1.47Å | 1.40Å | |
N2 | C6 | sing | 1.35Å | 1.34Å | |
C16 | C6 | doub | 1.39Å | 1.37Å | |
C16 | O3 | sing | 1.36Å | 1.34Å | |
C6 | C7 | sing | 1.48Å | 1.51Å | |
C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
N3 | C7 | sing | 1.35Å | 1.34Å | |
N3 | C8 | sing | 1.46Å | 1.46Å | |
C7 | O2 | doub | 1.22Å | 1.24Å | |
C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.51Å | 1.51Å | |
C11 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C15 | H5 | sing | 1.08Å | 1.08Å | |
C18 | H6 | sing | 1.09Å | 1.10Å | |
C18 | H7 | sing | 1.09Å | 1.10Å | |
C19 | H8 | sing | 1.09Å | 1.10Å | |
C19 | H9 | sing | 1.09Å | 1.10Å | |
C20 | H10 | sing | 1.09Å | 1.10Å | |
C20 | H11 | sing | 1.09Å | 1.10Å | |
C22 | H12 | sing | 1.08Å | 1.08Å | |
C23 | H13 | sing | 1.08Å | 1.08Å | |
C24 | H14 | sing | 1.08Å | 1.08Å | |
C4 | H15 | sing | 1.09Å | 1.10Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
C8 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
C9 | H19 | sing | 1.09Å | 1.10Å | |
N3 | H20 | sing | 0.97Å | 1.00Å | |
N4 | H21 | sing | 0.97Å | 1.00Å | |
O3 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F2 | C21 | C22 | 118.1° | 120.1° |
F2 | C21 | C2 | 119.2° | 120.1° |
C21 | C22 | C23 | 118.4° | 120.2° |
C22 | C21 | C2 | 122.7° | 119.8° |
C21 | C22 | H12 | 120.8° | 119.9° |
C22 | C23 | C24 | 121.4° | 120.4° |
C23 | C22 | H12 | 120.8° | 119.9° |
C22 | C23 | H13 | 119.3° | 119.8° |
C21 | C2 | C3 | 121.4° | 120.2° |
C21 | C2 | C1 | 116.5° | 119.6° |
C23 | C24 | C1 | 118.3° | 120.2° |
C24 | C23 | H13 | 119.3° | 119.8° |
C23 | C24 | H14 | 120.8° | 119.8° |
O1 | C3 | C2 | 120.5° | 120.0° |
O1 | C3 | N1 | 121.4° | 120.0° |
C3 | C2 | C1 | 122.1° | 120.2° |
C2 | C3 | N1 | 118.0° | 120.0° |
C2 | C1 | C24 | 122.7° | 119.8° |
C2 | C1 | F1 | 119.5° | 120.1° |
C3 | N1 | C4 | 126.4° | 125.6° |
C3 | N1 | C20 | 122.6° | 125.7° |
C24 | C1 | F1 | 117.8° | 120.1° |
C1 | C24 | H14 | 120.9° | 120.0° |
C4 | N1 | C20 | 111.0° | 108.7° |
N1 | C4 | C18 | 101.7° | 107.2° |
N1 | C4 | C5 | 113.6° | 109.9° |
N1 | C4 | H15 | 109.2° | 110.0° |
N1 | C20 | C19 | 102.9° | 104.9° |
N1 | C20 | H10 | 111.1° | 110.4° |
N1 | C20 | H11 | 111.1° | 110.4° |
C18 | C4 | C5 | 114.9° | 109.9° |
C4 | C18 | C19 | 101.6° | 103.0° |
C4 | C18 | H6 | 111.4° | 110.7° |
C4 | C18 | H7 | 111.4° | 110.9° |
C18 | C4 | H15 | 108.4° | 109.9° |
C4 | C5 | N4 | 120.8° | 118.7° |
C4 | C5 | N2 | 117.9° | 118.7° |
C5 | C4 | H15 | 108.8° | 109.8° |
C20 | C19 | C18 | 101.7° | 101.6° |
C20 | C19 | H8 | 111.3° | 111.0° |
C20 | C19 | H9 | 111.4° | 111.0° |
C19 | C20 | H10 | 111.1° | 110.3° |
C19 | C20 | H11 | 111.1° | 110.3° |
C5 | N4 | C17 | 121.2° | 120.1° |
N4 | C5 | N2 | 121.3° | 122.6° |
C5 | N4 | H21 | 119.4° | 119.9° |
N4 | C17 | O4 | 119.6° | 121.1° |
N4 | C17 | C16 | 116.8° | 117.9° |
C17 | N4 | H21 | 119.4° | 120.0° |
C19 | C18 | H6 | 111.4° | 110.7° |
C19 | C18 | H7 | 111.4° | 110.7° |
C18 | C19 | H8 | 111.4° | 111.0° |
C18 | C19 | H9 | 111.4° | 111.0° |
C5 | N2 | C6 | 119.2° | 122.2° |
O4 | C17 | C16 | 123.6° | 121.0° |
C17 | C16 | C6 | 119.8° | 117.7° |
C17 | C16 | O3 | 115.1° | 121.2° |
N2 | C6 | C16 | 121.6° | 119.5° |
N2 | C6 | C7 | 115.3° | 120.3° |
C6 | C16 | O3 | 125.1° | 121.1° |
C16 | C6 | C7 | 123.1° | 120.2° |
C16 | O3 | H22 | 109.5° | 114.0° |
C6 | C7 | N3 | 113.9° | 120.0° |
C6 | C7 | O2 | 121.7° | 120.0° |
C13 | C14 | C15 | 120.2° | 120.0° |
C14 | C13 | C12 | 119.8° | 120.0° |
C14 | C13 | H3 | 120.1° | 120.0° |
C13 | C14 | H4 | 119.9° | 120.0° |
C14 | C15 | C10 | 120.8° | 120.0° |
C15 | C14 | H4 | 119.9° | 120.0° |
C14 | C15 | H5 | 119.6° | 120.0° |
C13 | C12 | C11 | 120.1° | 120.0° |
C13 | C12 | H2 | 120.0° | 120.0° |
C12 | C13 | H3 | 120.1° | 120.0° |
C15 | C10 | C11 | 118.2° | 120.0° |
C15 | C10 | C9 | 121.0° | 120.0° |
C10 | C15 | H5 | 119.6° | 120.0° |
C7 | N3 | C8 | 122.8° | 120.0° |
N3 | C7 | O2 | 124.4° | 120.0° |
C7 | N3 | H20 | 118.6° | 120.0° |
N3 | C8 | C9 | 112.4° | 109.5° |
N3 | C8 | H16 | 108.7° | 109.5° |
N3 | C8 | H17 | 108.7° | 109.5° |
C8 | N3 | H20 | 118.6° | 120.0° |
C12 | C11 | C10 | 120.9° | 120.0° |
C12 | C11 | H1 | 119.6° | 120.0° |
C11 | C12 | H2 | 119.9° | 120.0° |
C8 | C9 | C10 | 113.3° | 109.5° |
C9 | C8 | H16 | 108.7° | 109.5° |
C9 | C8 | H17 | 108.7° | 109.4° |
C8 | C9 | H18 | 108.5° | 109.5° |
C8 | C9 | H19 | 108.5° | 109.5° |
C11 | C10 | C9 | 120.8° | 120.0° |
C10 | C11 | H1 | 119.5° | 120.0° |
C10 | C9 | H18 | 108.5° | 109.4° |
C10 | C9 | H19 | 108.5° | 109.5° |
H6 | C18 | H7 | 109.4° | 110.6° |
H8 | C19 | H9 | 109.5° | 110.9° |
H10 | C20 | H11 | 109.5° | 110.4° |
H16 | C8 | H17 | 109.5° | 109.5° |
H18 | C9 | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F2 | C21 | C22 | C2 | 178.8° | 179.9° |
F2 | C21 | C22 | C23 | 179.3° | 180.0° |
F2 | C21 | C2 | C3 | 0.6° | 0.1° |
F2 | C21 | C2 | C1 | 179.8° | 180.0° |
F2 | C21 | C22 | H12 | 0.7° | 0.1° |
C21 | C22 | C23 | H12 | 180.0° | 179.9° |
C21 | C22 | C23 | C24 | 0.3° | 0.3° |
C22 | C21 | C2 | C3 | 179.4° | 180.0° |
C22 | C21 | C2 | C1 | 1.4° | 0.1° |
C21 | C22 | C23 | H13 | 179.7° | 180.0° |
C23 | C22 | C21 | C2 | 0.5° | 0.1° |
C22 | C23 | C24 | H13 | 180.0° | 179.7° |
C22 | C23 | C24 | C1 | 0.0° | 0.6° |
C22 | C23 | C24 | H14 | 180.0° | 180.0° |
C21 | C2 | C3 | O1 | 110.4° | 94.9° |
C21 | C2 | C3 | C1 | 179.1° | 179.9° |
C21 | C2 | C3 | N1 | 73.8° | 85.2° |
C21 | C2 | C1 | C24 | 1.7° | 0.4° |
C21 | C2 | C1 | F1 | 179.3° | 180.0° |
C2 | C21 | C22 | H12 | 179.6° | 180.0° |
C23 | C24 | C1 | C2 | 1.1° | 0.6° |
C23 | C24 | C1 | H14 | 180.0° | 179.4° |
C23 | C24 | C1 | F1 | 179.9° | 179.8° |
C24 | C23 | C22 | H12 | 179.7° | 179.8° |
O1 | C3 | C2 | N1 | 175.8° | 180.0° |
O1 | C3 | C2 | C1 | 68.7° | 85.2° |
O1 | C3 | N1 | C4 | 159.3° | 5.0° |
O1 | C3 | N1 | C20 | 21.7° | 175.0° |
C3 | C2 | C1 | C24 | 179.1° | 179.8° |
C3 | C2 | C1 | F1 | 0.1° | 0.1° |
C2 | C3 | N1 | C4 | 24.9° | 175.1° |
C2 | C3 | N1 | C20 | 154.0° | 4.9° |
C1 | C2 | C3 | N1 | 107.1° | 94.7° |
C2 | C1 | C24 | F1 | 179.1° | 179.6° |
C2 | C1 | C24 | H14 | 179.0° | 180.0° |
C3 | N1 | C4 | C20 | 179.1° | 180.0° |
C3 | N1 | C4 | C18 | 166.5° | 178.9° |
C3 | N1 | C4 | C5 | 69.5° | 61.7° |
C3 | N1 | C20 | C19 | 165.2° | 155.9° |
C3 | N1 | C20 | H10 | 75.8° | 85.3° |
C3 | N1 | C20 | H11 | 46.3° | 37.0° |
C3 | N1 | C4 | H15 | 52.0° | 59.4° |
C1 | C24 | C23 | H13 | 180.0° | 179.7° |
F1 | C1 | C24 | H14 | 0.1° | 0.3° |
N1 | C4 | C18 | C5 | 123.1° | 119.4° |
N1 | C4 | C18 | H15 | 115.0° | 119.6° |
N1 | C4 | C5 | H15 | 121.8° | 121.2° |
C4 | N1 | C20 | C19 | 13.9° | 24.1° |
N1 | C4 | C5 | N4 | 147.2° | 63.0° |
N1 | C4 | C18 | C19 | 36.8° | 22.2° |
N1 | C4 | C5 | N2 | 31.7° | 117.5° |
N1 | C4 | C18 | H6 | 155.6° | 140.6° |
N1 | C4 | C18 | H7 | 81.9° | 96.3° |
C4 | N1 | C20 | H10 | 105.0° | 94.7° |
C4 | N1 | C20 | H11 | 132.8° | 143.0° |
C20 | N1 | C4 | C18 | 14.5° | 1.1° |
C20 | N1 | C4 | C5 | 109.5° | 118.3° |
N1 | C20 | C19 | H10 | 118.9° | 118.8° |
N1 | C20 | C19 | H11 | 119.0° | 118.9° |
N1 | C20 | C19 | C18 | 36.8° | 37.0° |
N1 | C20 | C19 | H8 | 155.6° | 155.0° |
N1 | C20 | C19 | H9 | 81.9° | 81.1° |
N1 | C20 | H10 | H11 | 123.1° | 122.4° |
C20 | N1 | C4 | H15 | 128.9° | 120.6° |
C18 | C4 | C5 | H15 | 121.7° | 121.0° |
C4 | C18 | C19 | C20 | 46.1° | 35.5° |
C18 | C4 | C5 | N4 | 96.3° | 54.8° |
C4 | C18 | C19 | H6 | 118.7° | 118.4° |
C4 | C18 | C19 | H7 | 118.7° | 118.6° |
C18 | C4 | C5 | N2 | 84.8° | 124.7° |
C4 | C18 | H6 | H7 | 123.7° | 123.3° |
C4 | C18 | C19 | H8 | 164.8° | 153.6° |
C4 | C18 | C19 | H9 | 72.7° | 82.6° |
C4 | C5 | N4 | N2 | 178.9° | 179.5° |
C4 | C5 | N4 | C17 | 179.8° | 179.7° |
C5 | C4 | C18 | C19 | 86.2° | 141.6° |
C4 | C5 | N2 | C6 | 180.0° | 180.0° |
C5 | C4 | C18 | H6 | 32.5° | 100.0° |
C5 | C4 | C18 | H7 | 155.0° | 23.2° |
C4 | C5 | N4 | H21 | 0.2° | 0.5° |
C20 | C19 | C18 | H8 | 118.7° | 118.1° |
C20 | C19 | C18 | H9 | 118.8° | 118.1° |
C20 | C19 | C18 | H6 | 164.8° | 153.8° |
C20 | C19 | C18 | H7 | 72.6° | 83.1° |
C20 | C19 | H8 | H9 | 123.6° | 123.9° |
C19 | C20 | H10 | H11 | 123.1° | 122.2° |
C5 | N4 | C17 | H21 | 180.0° | 179.2° |
C5 | N4 | C17 | O4 | 179.2° | 179.5° |
C5 | N4 | C17 | C16 | 0.8° | 0.5° |
N4 | C5 | N2 | C6 | 1.1° | 0.5° |
N4 | C5 | C4 | H15 | 25.4° | 175.9° |
C17 | N4 | C5 | N2 | 0.9° | 0.8° |
N4 | C17 | O4 | C16 | 180.0° | 180.0° |
N4 | C17 | C16 | C6 | 0.9° | 0.0° |
N4 | C17 | C16 | O3 | 179.1° | 179.8° |
C19 | C18 | H6 | H7 | 123.6° | 123.1° |
C18 | C19 | H8 | H9 | 123.6° | 123.9° |
C18 | C19 | C20 | H10 | 82.1° | 81.8° |
C18 | C19 | C20 | H11 | 155.8° | 155.9° |
C19 | C18 | C4 | H15 | 151.9° | 97.4° |
C5 | N2 | C6 | C16 | 1.2° | 0.0° |
C5 | N2 | C6 | C7 | 179.4° | 180.0° |
N2 | C5 | C4 | H15 | 153.5° | 3.7° |
N2 | C5 | N4 | H21 | 179.1° | 180.0° |
O4 | C17 | C16 | C6 | 179.1° | 180.0° |
O4 | C17 | C16 | O3 | 0.9° | 0.2° |
O4 | C17 | N4 | H21 | 0.8° | 0.3° |
C17 | C16 | C6 | N2 | 1.1° | 0.2° |
C17 | C16 | C6 | O3 | 180.0° | 179.8° |
C17 | C16 | C6 | C7 | 179.5° | 179.8° |
C16 | C17 | N4 | H21 | 179.2° | 179.7° |
C17 | C16 | O3 | H22 | 0.4° | 0.2° |
N2 | C6 | C16 | C7 | 179.4° | 180.0° |
N2 | C6 | C16 | O3 | 178.9° | 180.0° |
N2 | C6 | C7 | N3 | 5.3° | 5.3° |
N2 | C6 | C7 | O2 | 174.5° | 174.8° |
C16 | C6 | C7 | N3 | 174.1° | 174.7° |
C16 | C6 | C7 | O2 | 6.1° | 5.2° |
C6 | C16 | O3 | H22 | 179.6° | 180.0° |
O3 | C16 | C6 | C7 | 0.5° | 0.0° |
C6 | C7 | N3 | O2 | 179.8° | 179.9° |
C6 | C7 | N3 | C8 | 168.2° | 174.9° |
C6 | C7 | N3 | H20 | 11.9° | 5.1° |
C13 | C14 | C15 | H4 | 180.0° | 179.7° |
C14 | C13 | C12 | H3 | 180.0° | 179.9° |
C13 | C14 | C15 | C10 | 0.1° | 0.7° |
C14 | C13 | C12 | C11 | 0.1° | 0.0° |
C14 | C13 | C12 | H2 | 179.8° | 179.9° |
C13 | C14 | C15 | H5 | 179.9° | 180.0° |
C15 | C14 | C13 | C12 | 0.1° | 0.4° |
C14 | C15 | C10 | H5 | 180.0° | 179.4° |
C14 | C15 | C10 | C11 | 0.1° | 0.6° |
C14 | C15 | C10 | C9 | 179.8° | 179.6° |
C15 | C14 | C13 | H3 | 179.9° | 179.7° |
C13 | C12 | C11 | H2 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 0.1° | 0.0° |
C13 | C12 | C11 | H1 | 179.9° | 180.0° |
C12 | C13 | C14 | H4 | 179.9° | 180.0° |
C15 | C10 | C11 | C12 | 0.1° | 0.2° |
C15 | C10 | C9 | C8 | 77.9° | 90.3° |
C15 | C10 | C11 | C9 | 179.9° | 179.8° |
C15 | C10 | C11 | H1 | 179.9° | 179.7° |
C10 | C15 | C14 | H4 | 179.9° | 179.7° |
C15 | C10 | C9 | H18 | 42.7° | 29.7° |
C15 | C10 | C9 | H19 | 161.6° | 149.7° |
C7 | N3 | C8 | H20 | 180.0° | 180.0° |
C7 | N3 | C8 | C9 | 123.9° | 180.0° |
C7 | N3 | C8 | H16 | 115.7° | 60.0° |
C7 | N3 | C8 | H17 | 3.5° | 60.0° |
C8 | N3 | C7 | O2 | 12.1° | 5.0° |
N3 | C8 | C9 | H16 | 120.4° | 120.1° |
N3 | C8 | C9 | H17 | 120.4° | 120.0° |
N3 | C8 | C9 | C10 | 49.2° | 180.0° |
N3 | C8 | H16 | H17 | 118.7° | 120.0° |
N3 | C8 | C9 | H18 | 169.8° | 60.0° |
N3 | C8 | C9 | H19 | 71.4° | 60.0° |
O2 | C7 | N3 | H20 | 167.9° | 175.0° |
C12 | C11 | C10 | H1 | 180.0° | 179.9° |
C12 | C11 | C10 | C9 | 179.8° | 180.0° |
C11 | C12 | C13 | H3 | 179.8° | 179.9° |
C8 | C9 | C10 | C11 | 102.3° | 90.0° |
C8 | C9 | C10 | H18 | 120.6° | 120.0° |
C8 | C9 | C10 | H19 | 120.5° | 120.0° |
C9 | C8 | H16 | H17 | 118.7° | 119.9° |
C8 | C9 | H18 | H19 | 118.3° | 120.0° |
C9 | C8 | N3 | H20 | 56.1° | 0.0° |
C10 | C11 | C12 | H2 | 179.9° | 180.0° |
C11 | C10 | C15 | H5 | 179.9° | 180.0° |
C11 | C10 | C9 | H18 | 137.2° | 150.0° |
C11 | C10 | C9 | H19 | 18.3° | 30.1° |
C9 | C10 | C11 | H1 | 0.2° | 0.1° |
C9 | C10 | C15 | H5 | 0.2° | 0.3° |
C10 | C9 | C8 | H16 | 71.3° | 60.0° |
C10 | C9 | C8 | H17 | 169.6° | 60.0° |
C10 | C9 | H18 | H19 | 118.3° | 120.0° |
H1 | C11 | C12 | H2 | 0.1° | 0.1° |
H2 | C12 | C13 | H3 | 0.2° | 0.0° |
H3 | C13 | C14 | H4 | 0.2° | 0.1° |
H4 | C14 | C15 | H5 | 0.1° | 0.3° |
H6 | C18 | C19 | H8 | 76.4° | 88.1° |
H6 | C18 | C19 | H9 | 46.1° | 35.8° |
H6 | C18 | C4 | H15 | 89.4° | 21.0° |
H7 | C18 | C19 | H8 | 46.1° | 35.0° |
H7 | C18 | C19 | H9 | 168.6° | 158.8° |
H7 | C18 | C4 | H15 | 33.2° | 144.1° |
H8 | C19 | C20 | H10 | 36.6° | 36.2° |
H8 | C19 | C20 | H11 | 85.5° | 86.0° |
H9 | C19 | C20 | H10 | 159.1° | 160.1° |
H9 | C19 | C20 | H11 | 37.0° | 37.9° |
H12 | C22 | C23 | H13 | 0.3° | 0.1° |
H13 | C23 | C24 | H14 | 0.0° | 0.3° |
H16 | C8 | C9 | H18 | 49.3° | 179.9° |
H16 | C8 | C9 | H19 | 168.2° | 60.1° |
H16 | C8 | N3 | H20 | 64.4° | 120.0° |
H17 | C8 | C9 | H18 | 69.8° | 60.0° |
H17 | C8 | C9 | H19 | 49.1° | 180.0° |
H17 | C8 | N3 | H20 | 176.5° | 120.0° |