GF7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C16 | doub | 1.21Å | 1.22Å | |
C16 | C9 | sing | 1.47Å | 1.50Å | |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C17 | H17B | sing | 1.09Å | 1.10Å | |
C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
C8 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C10 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C6 | N1 | sing | 1.39Å | 1.42Å | |
C2 | N1 | sing | 1.34Å | 1.32Å | |
N1 | C5 | sing | 1.47Å | 1.47Å | |
O12 | C2 | doub | 1.21Å | 1.22Å | |
C2 | C3 | sing | 1.51Å | 1.53Å | |
C5 | C4 | sing | 1.54Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.55Å | 1.55Å | |
C4 | C13 | sing | 1.51Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C13 | O14 | doub | 1.21Å | 1.26Å | |
C13 | O15 | sing | 1.34Å | 1.27Å | |
O15 | HO15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C16 | C9 | 118.1° | 120.0° |
O18 | C16 | C17 | 121.8° | 120.0° |
C9 | C16 | C17 | 120.0° | 120.0° |
C16 | C9 | C10 | 119.8° | 120.1° |
C16 | C9 | C8 | 120.4° | 120.1° |
C16 | C17 | H17 | 109.5° | 109.5° |
C16 | C17 | H17A | 109.5° | 109.5° |
C16 | C17 | H17B | 109.4° | 109.4° |
H17 | C17 | H17A | 109.5° | 109.5° |
H17 | C17 | H17B | 109.5° | 109.5° |
H17A | C17 | H17B | 109.5° | 109.5° |
C10 | C9 | C8 | 119.8° | 119.8° |
C9 | C10 | C11 | 120.2° | 119.9° |
C9 | C10 | H10 | 119.9° | 120.0° |
C9 | C8 | C7 | 119.5° | 119.9° |
C9 | C8 | H8 | 120.3° | 120.0° |
C7 | C8 | H8 | 120.2° | 120.0° |
C8 | C7 | C6 | 121.2° | 120.1° |
C8 | C7 | H7 | 119.4° | 120.0° |
C6 | C7 | H7 | 119.4° | 119.9° |
C7 | C6 | C11 | 118.8° | 120.2° |
C7 | C6 | N1 | 119.2° | 119.9° |
C11 | C10 | H10 | 119.9° | 120.1° |
C10 | C11 | C6 | 120.4° | 120.1° |
C10 | C11 | H11 | 119.8° | 120.0° |
C6 | C11 | H11 | 119.8° | 120.0° |
C11 | C6 | N1 | 121.8° | 119.9° |
C6 | N1 | C2 | 127.4° | 124.3° |
C6 | N1 | C5 | 116.5° | 124.4° |
C2 | N1 | C5 | 115.9° | 111.3° |
N1 | C2 | O12 | 125.9° | 125.0° |
N1 | C2 | C3 | 108.1° | 110.1° |
N1 | C5 | C4 | 98.8° | 105.5° |
N1 | C5 | H5 | 113.2° | 110.3° |
N1 | C5 | H5A | 115.4° | 110.2° |
O12 | C2 | C3 | 125.8° | 124.9° |
C2 | C3 | C4 | 99.5° | 104.2° |
C2 | C3 | H3 | 112.9° | 110.4° |
C2 | C3 | H3A | 115.0° | 110.5° |
C4 | C5 | H5 | 113.2° | 110.2° |
C4 | C5 | H5A | 115.4° | 110.2° |
C5 | C4 | C3 | 105.0° | 101.8° |
C5 | C4 | C13 | 119.0° | 111.0° |
C5 | C4 | H4 | 111.6° | 111.0° |
H5 | C5 | H5A | 101.6° | 110.3° |
C3 | C4 | C13 | 120.9° | 111.1° |
C3 | C4 | H4 | 109.0° | 110.8° |
C4 | C3 | H3 | 112.9° | 110.6° |
C4 | C3 | H3A | 115.0° | 110.4° |
C13 | C4 | H4 | 90.1° | 110.9° |
C4 | C13 | O14 | 119.1° | 120.1° |
C4 | C13 | O15 | 120.5° | 120.0° |
H3 | C3 | H3A | 102.1° | 110.5° |
O14 | C13 | O15 | 120.1° | 120.0° |
C13 | O15 | HO15 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C16 | C9 | C17 | 176.9° | 179.6° |
O18 | C16 | C17 | H17 | 154.5° | 0.1° |
O18 | C16 | C17 | H17A | 85.5° | 120.0° |
O18 | C16 | C17 | H17B | 34.5° | 120.0° |
O18 | C16 | C9 | C10 | 1.7° | 179.7° |
O18 | C16 | C9 | C8 | 176.0° | 0.1° |
C9 | C16 | C17 | H17 | 28.7° | 179.7° |
C9 | C16 | C17 | H17A | 91.3° | 59.6° |
C9 | C16 | C17 | H17B | 148.7° | 60.3° |
C16 | C9 | C10 | C8 | 177.7° | 179.6° |
C16 | C9 | C8 | C7 | 178.9° | 180.0° |
C16 | C9 | C8 | H8 | 1.1° | 0.1° |
C16 | C9 | C10 | C11 | 178.9° | 180.0° |
C16 | C9 | C10 | H10 | 1.1° | 0.1° |
C16 | C17 | H17 | H17A | 120.0° | 120.1° |
C16 | C17 | H17 | H17B | 120.0° | 119.9° |
C16 | C17 | H17A | H17B | 120.0° | 119.9° |
C17 | C16 | C9 | C10 | 178.6° | 0.6° |
C17 | C16 | C9 | C8 | 0.9° | 179.7° |
H17 | C17 | H17A | H17B | 120.0° | 120.0° |
C10 | C9 | C8 | C7 | 1.2° | 0.3° |
C10 | C9 | C8 | H8 | 178.8° | 179.7° |
C9 | C10 | C11 | H10 | 180.0° | 179.9° |
C9 | C10 | C11 | C6 | 0.1° | 0.1° |
C9 | C10 | C11 | H11 | 179.9° | 180.0° |
C9 | C8 | C7 | H8 | 180.0° | 179.9° |
C9 | C8 | C7 | C6 | 0.1° | 0.0° |
C9 | C8 | C7 | H7 | 179.9° | 180.0° |
C8 | C9 | C10 | C11 | 1.2° | 0.4° |
C8 | C9 | C10 | H10 | 178.8° | 179.7° |
C8 | C7 | C6 | H7 | 180.0° | 180.0° |
C8 | C7 | C6 | C11 | 1.3° | 0.2° |
C8 | C7 | C6 | N1 | 176.5° | 179.9° |
H8 | C8 | C7 | C6 | 179.9° | 180.0° |
H8 | C8 | C7 | H7 | 0.1° | 0.0° |
C7 | C6 | C11 | C10 | 1.3° | 0.2° |
C7 | C6 | C11 | N1 | 175.0° | 179.9° |
C7 | C6 | C11 | H11 | 178.6° | 179.7° |
C7 | C6 | N1 | C2 | 130.2° | 5.7° |
C7 | C6 | N1 | C5 | 55.2° | 173.9° |
H7 | C7 | C6 | C11 | 178.7° | 179.8° |
H7 | C7 | C6 | N1 | 3.5° | 0.1° |
C10 | C11 | C6 | H11 | 180.0° | 179.8° |
C10 | C11 | C6 | N1 | 176.3° | 180.0° |
H10 | C10 | C11 | C6 | 179.9° | 180.0° |
H10 | C10 | C11 | H11 | 0.1° | 0.1° |
C11 | C6 | N1 | C2 | 54.8° | 174.5° |
C11 | C6 | N1 | C5 | 119.7° | 5.9° |
H11 | C11 | C6 | N1 | 3.7° | 0.2° |
C6 | N1 | C2 | C5 | 174.5° | 179.7° |
C6 | N1 | C2 | O12 | 4.2° | 0.4° |
C6 | N1 | C2 | C3 | 179.1° | 179.5° |
C6 | N1 | C5 | C4 | 157.5° | 163.0° |
C6 | N1 | C5 | H5 | 37.5° | 43.9° |
C6 | N1 | C5 | H5A | 78.9° | 78.1° |
N1 | C2 | O12 | C3 | 174.0° | 179.9° |
C2 | N1 | C5 | C4 | 17.7° | 16.7° |
C2 | N1 | C5 | H5 | 137.7° | 135.8° |
C2 | N1 | C5 | H5A | 105.9° | 102.3° |
N1 | C2 | C3 | C4 | 24.5° | 16.4° |
N1 | C2 | C3 | H3 | 95.6° | 102.5° |
N1 | C2 | C3 | H3A | 147.9° | 135.0° |
C5 | N1 | C2 | O12 | 170.4° | 179.9° |
C5 | N1 | C2 | C3 | 4.5° | 0.1° |
N1 | C5 | C4 | H5 | 120.0° | 119.1° |
N1 | C5 | C4 | H5A | 123.6° | 119.0° |
N1 | C5 | H5 | H5A | 124.3° | 121.9° |
N1 | C5 | C4 | C3 | 32.0° | 25.2° |
N1 | C5 | C4 | C13 | 171.2° | 143.5° |
N1 | C5 | C4 | H4 | 86.0° | 92.7° |
O12 | C2 | C3 | C4 | 150.4° | 163.6° |
O12 | C2 | C3 | H3 | 89.5° | 77.6° |
O12 | C2 | C3 | H3A | 27.0° | 45.0° |
C2 | C3 | C4 | C5 | 34.9° | 24.7° |
C2 | C3 | C4 | H3 | 120.0° | 118.7° |
C2 | C3 | C4 | H3A | 123.4° | 118.7° |
C2 | C3 | C4 | C13 | 173.1° | 142.9° |
C2 | C3 | C4 | H4 | 84.9° | 93.3° |
C2 | C3 | H3 | H3A | 124.0° | 122.6° |
C4 | C5 | H5 | H5A | 124.4° | 121.9° |
C5 | C4 | C3 | C13 | 138.2° | 118.2° |
C5 | C4 | C3 | H4 | 119.7° | 118.0° |
C5 | C4 | C13 | H4 | 115.0° | 123.8° |
C5 | C4 | C3 | H3 | 85.1° | 94.0° |
C5 | C4 | C3 | H3A | 158.3° | 143.4° |
C5 | C4 | C13 | O14 | 26.1° | 0.0° |
C5 | C4 | C13 | O15 | 160.4° | 180.0° |
H5 | C5 | C4 | C3 | 152.0° | 144.3° |
H5 | C5 | C4 | C13 | 68.8° | 97.4° |
H5 | C5 | C4 | H4 | 34.0° | 26.4° |
H5A | C5 | C4 | C3 | 91.6° | 93.8° |
H5A | C5 | C4 | C13 | 47.6° | 24.5° |
H5A | C5 | C4 | H4 | 150.4° | 148.3° |
C3 | C4 | C13 | H4 | 112.4° | 123.7° |
C4 | C3 | H3 | H3A | 124.0° | 122.5° |
C3 | C4 | C13 | O14 | 158.7° | 112.5° |
C3 | C4 | C13 | O15 | 27.8° | 67.5° |
C13 | C4 | C3 | H3 | 53.1° | 24.2° |
C13 | C4 | C3 | H3A | 63.5° | 98.4° |
C4 | C13 | O14 | O15 | 173.5° | 180.0° |
C4 | C13 | O15 | HO15 | 173.5° | 180.0° |
H4 | C4 | C3 | H3 | 155.1° | 148.0° |
H4 | C4 | C3 | H3A | 38.5° | 25.4° |
H4 | C4 | C13 | O14 | 88.9° | 123.8° |
H4 | C4 | C13 | O15 | 84.6° | 56.2° |
O14 | C13 | O15 | HO15 | 0.0° | 0.1° |