F35
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | doub | 1.22Å | 1.28Å | |
C2 | N | sing | 1.35Å | 1.36Å | |
C2 | N1 | sing | 1.34Å | 1.34Å | |
N | C1 | sing | 1.47Å | 1.47Å | |
C1 | C | sing | 1.52Å | 1.50Å | |
C | O | doub | 1.21Å | 1.29Å | |
C | N1 | sing | 1.35Å | 1.33Å | |
N1 | C3 | sing | 1.46Å | 1.46Å | |
C3 | C4 | sing | 1.51Å | 1.51Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
C7 | C10 | sing | 1.48Å | 1.48Å | |
C10 | N3 | sing | 1.37Å | 1.36Å | |
C10 | N2 | doub | 1.31Å | 1.36Å | |
N3 | C17 | sing | 1.35Å | 1.35Å | |
C17 | O2 | doub | 1.22Å | 1.25Å | |
C17 | C12 | sing | 1.47Å | 1.49Å | |
N2 | C11 | sing | 1.35Å | 1.35Å | |
C11 | C12 | sing | 1.41Å | 1.47Å | Aromatic |
C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
N | H | sing | 0.97Å | 1.00Å | |
C1 | H11C | sing | 1.09Å | 1.10Å | |
C1 | H12C | sing | 1.09Å | 1.10Å | |
C3 | H31C | sing | 1.09Å | 1.10Å | |
C3 | H32C | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C2 | N | 122.3° | 123.7° |
O1 | C2 | N1 | 121.0° | 123.8° |
N | C2 | N1 | 116.7° | 112.4° |
C2 | N | C1 | 108.6° | 106.6° |
C2 | N | H | 125.7° | 126.7° |
C2 | N1 | C | 100.5° | 111.7° |
C2 | N1 | C3 | 128.1° | 124.2° |
N | C1 | C | 95.5° | 103.6° |
C1 | N | H | 125.7° | 126.7° |
N | C1 | H11C | 112.9° | 110.7° |
N | C1 | H12C | 112.8° | 110.6° |
C1 | C | O | 120.8° | 127.2° |
C1 | C | N1 | 118.7° | 105.7° |
C | C1 | H11C | 112.9° | 110.6° |
C | C1 | H12C | 112.9° | 110.6° |
O | C | N1 | 120.5° | 127.2° |
C | N1 | C3 | 131.3° | 124.2° |
N1 | C3 | C4 | 117.6° | 109.5° |
N1 | C3 | H31C | 107.4° | 109.5° |
N1 | C3 | H32C | 107.4° | 109.5° |
C3 | C4 | C5 | 118.0° | 119.8° |
C3 | C4 | C9 | 122.0° | 119.9° |
C4 | C3 | H31C | 107.4° | 109.5° |
C4 | C3 | H32C | 107.4° | 109.4° |
C5 | C4 | C9 | 120.0° | 120.3° |
C4 | C5 | C6 | 120.9° | 120.2° |
C4 | C5 | H5 | 119.5° | 119.9° |
C4 | C9 | C8 | 119.4° | 120.2° |
C4 | C9 | H9 | 120.3° | 119.9° |
C5 | C6 | C7 | 119.2° | 119.8° |
C6 | C5 | H5 | 119.6° | 119.9° |
C5 | C6 | H6 | 120.4° | 120.1° |
C6 | C7 | C8 | 120.0° | 119.7° |
C6 | C7 | C10 | 118.8° | 120.1° |
C7 | C6 | H6 | 120.4° | 120.1° |
C9 | C8 | C7 | 120.3° | 119.8° |
C8 | C9 | H9 | 120.3° | 120.0° |
C9 | C8 | H8 | 119.8° | 120.1° |
C8 | C7 | C10 | 120.8° | 120.1° |
C7 | C8 | H8 | 119.8° | 120.1° |
C7 | C10 | N3 | 121.1° | 118.4° |
C7 | C10 | N2 | 114.8° | 118.5° |
N3 | C10 | N2 | 123.6° | 123.1° |
C10 | N3 | C17 | 120.7° | 120.4° |
C10 | N3 | H3 | 119.7° | 119.8° |
C10 | N2 | C11 | 121.0° | 121.7° |
N3 | C17 | O2 | 121.7° | 121.2° |
N3 | C17 | C12 | 118.4° | 117.5° |
C17 | N3 | H3 | 119.6° | 119.8° |
O2 | C17 | C12 | 119.8° | 121.3° |
C17 | C12 | C11 | 117.4° | 118.2° |
C17 | C12 | C13 | 123.7° | 121.8° |
N2 | C11 | C12 | 118.7° | 119.2° |
N2 | C11 | C16 | 121.8° | 121.5° |
C12 | C11 | C16 | 119.5° | 119.3° |
C11 | C12 | C13 | 118.9° | 120.0° |
C11 | C16 | C15 | 120.0° | 119.7° |
C11 | C16 | H16 | 120.0° | 120.2° |
C12 | C13 | C14 | 120.1° | 119.6° |
C12 | C13 | H13 | 119.9° | 120.2° |
C16 | C15 | C14 | 121.0° | 120.8° |
C15 | C16 | H16 | 120.0° | 120.1° |
C16 | C15 | H15 | 119.5° | 119.5° |
C15 | C14 | C13 | 120.5° | 120.6° |
C14 | C15 | H15 | 119.5° | 119.6° |
C15 | C14 | H14 | 119.8° | 119.7° |
C14 | C13 | H13 | 120.0° | 120.2° |
C13 | C14 | H14 | 119.8° | 119.7° |
H11C | C1 | H12C | 109.5° | 110.6° |
H31C | C3 | H32C | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | N | N1 | 179.5° | 179.7° |
O1 | C2 | N | C1 | 179.2° | 180.0° |
O1 | C2 | N1 | C | 180.0° | 179.8° |
O1 | C2 | N1 | C3 | 3.0° | 0.0° |
O1 | C2 | N | H | 0.8° | 0.1° |
C2 | N | C1 | H | 180.0° | 179.9° |
C2 | N | C1 | C | 1.3° | 0.0° |
N | C2 | N1 | C | 0.5° | 0.5° |
N | C2 | N1 | C3 | 177.4° | 179.7° |
C2 | N | C1 | H11C | 116.3° | 118.5° |
C2 | N | C1 | H12C | 118.9° | 118.5° |
N1 | C2 | N | C1 | 1.3° | 0.3° |
C2 | N1 | C | C1 | 0.5° | 0.5° |
C2 | N1 | C | O | 178.6° | 179.9° |
C2 | N1 | C | C3 | 176.8° | 179.8° |
C2 | N1 | C3 | C4 | 92.4° | 90.0° |
N1 | C2 | N | H | 178.7° | 179.7° |
C2 | N1 | C3 | H31C | 28.8° | 150.0° |
C2 | N1 | C3 | H32C | 146.4° | 30.0° |
N | C1 | C | H11C | 117.6° | 118.6° |
N | C1 | C | H12C | 117.6° | 118.5° |
N | C1 | C | O | 179.2° | 179.9° |
N | C1 | C | N1 | 1.2° | 0.3° |
N | C1 | H11C | H12C | 126.6° | 122.9° |
C1 | C | O | N1 | 178.0° | 179.6° |
C1 | C | N1 | C3 | 176.3° | 179.7° |
C | C1 | N | H | 178.7° | 180.0° |
C | C1 | H11C | H12C | 126.6° | 122.9° |
O | C | N1 | C3 | 1.8° | 0.1° |
O | C | C1 | H11C | 61.6° | 61.5° |
O | C | C1 | H12C | 63.2° | 61.4° |
C | N1 | C3 | C4 | 91.6° | 89.8° |
N1 | C | C1 | H11C | 116.5° | 118.9° |
N1 | C | C1 | H12C | 118.8° | 118.2° |
C | N1 | C3 | H31C | 147.2° | 30.2° |
C | N1 | C3 | H32C | 29.5° | 150.3° |
N1 | C3 | C4 | H31C | 121.2° | 120.0° |
N1 | C3 | C4 | H32C | 121.2° | 120.0° |
N1 | C3 | C4 | C5 | 136.7° | 90.0° |
N1 | C3 | C4 | C9 | 45.1° | 90.3° |
N1 | C3 | H31C | H32C | 116.3° | 120.0° |
C3 | C4 | C5 | C9 | 178.2° | 179.7° |
C3 | C4 | C5 | C6 | 178.9° | 180.0° |
C3 | C4 | C9 | C8 | 178.2° | 180.0° |
C4 | C3 | H31C | H32C | 116.3° | 119.9° |
C3 | C4 | C5 | H5 | 1.1° | 0.0° |
C3 | C4 | C9 | H9 | 1.8° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 1.0° | 0.0° |
C5 | C4 | C9 | C8 | 0.0° | 0.3° |
C5 | C4 | C3 | H31C | 15.5° | 30.0° |
C5 | C4 | C3 | H32C | 102.2° | 150.0° |
C5 | C4 | C9 | H9 | 180.0° | 179.7° |
C4 | C5 | C6 | H6 | 179.0° | 180.0° |
C9 | C4 | C5 | C6 | 0.7° | 0.3° |
C4 | C9 | C8 | H9 | 180.0° | 180.0° |
C4 | C9 | C8 | C7 | 2.3° | 0.0° |
C9 | C4 | C3 | H31C | 166.3° | 149.7° |
C9 | C4 | C3 | H32C | 76.0° | 29.7° |
C9 | C4 | C5 | H5 | 179.4° | 179.7° |
C4 | C9 | C8 | H8 | 177.6° | 180.0° |
C5 | C6 | C7 | H6 | 180.0° | 180.0° |
C5 | C6 | C7 | C8 | 3.4° | 0.2° |
C5 | C6 | C7 | C10 | 176.0° | 180.0° |
C6 | C7 | C8 | C9 | 4.0° | 0.2° |
C6 | C7 | C8 | C10 | 172.5° | 179.8° |
C6 | C7 | C10 | N3 | 14.2° | 179.9° |
C6 | C7 | C10 | N2 | 157.7° | 0.3° |
C7 | C6 | C5 | H5 | 178.9° | 180.0° |
C6 | C7 | C8 | H8 | 175.9° | 179.7° |
C9 | C8 | C7 | H8 | 180.0° | 180.0° |
C9 | C8 | C7 | C10 | 176.6° | 180.0° |
C8 | C7 | C10 | N3 | 173.1° | 0.3° |
C8 | C7 | C10 | N2 | 14.9° | 179.9° |
C7 | C8 | C9 | H9 | 177.7° | 180.0° |
C8 | C7 | C6 | H6 | 176.6° | 179.8° |
C7 | C10 | N3 | N2 | 171.2° | 179.6° |
C7 | C10 | N3 | C17 | 176.4° | 180.0° |
C7 | C10 | N2 | C11 | 177.1° | 180.0° |
C10 | C7 | C6 | H6 | 4.0° | 0.0° |
C10 | C7 | C8 | H8 | 3.4° | 0.1° |
C7 | C10 | N3 | H3 | 3.6° | 0.1° |
C10 | N3 | C17 | H3 | 180.0° | 179.8° |
C10 | N3 | C17 | O2 | 177.3° | 180.0° |
C10 | N3 | C17 | C12 | 3.1° | 0.1° |
N3 | C10 | N2 | C11 | 5.3° | 0.4° |
N2 | C10 | N3 | C17 | 5.2° | 0.4° |
C10 | N2 | C11 | C12 | 3.4° | 0.0° |
C10 | N2 | C11 | C16 | 177.0° | 179.9° |
N2 | C10 | N3 | H3 | 174.8° | 179.8° |
N3 | C17 | O2 | C12 | 179.6° | 180.0° |
N3 | C17 | C12 | C11 | 1.4° | 0.3° |
N3 | C17 | C12 | C13 | 178.8° | 179.9° |
O2 | C17 | C12 | C11 | 179.0° | 179.7° |
O2 | C17 | C12 | C13 | 0.8° | 0.0° |
O2 | C17 | N3 | H3 | 2.7° | 0.1° |
C17 | C12 | C11 | N2 | 1.5° | 0.3° |
C17 | C12 | C11 | C13 | 179.8° | 179.7° |
C17 | C12 | C11 | C16 | 178.9° | 179.8° |
C17 | C12 | C13 | C14 | 179.5° | 179.7° |
C12 | C17 | N3 | H3 | 176.9° | 179.9° |
C17 | C12 | C13 | H13 | 0.5° | 0.1° |
N2 | C11 | C12 | C16 | 179.6° | 179.9° |
N2 | C11 | C12 | C13 | 178.7° | 180.0° |
N2 | C11 | C16 | C15 | 179.3° | 180.0° |
N2 | C11 | C16 | H16 | 0.6° | 0.1° |
C12 | C11 | C16 | C15 | 0.2° | 0.1° |
C11 | C12 | C13 | C14 | 0.3° | 0.1° |
C12 | C11 | C16 | H16 | 179.8° | 180.0° |
C11 | C12 | C13 | H13 | 179.7° | 179.7° |
C16 | C11 | C12 | C13 | 0.9° | 0.1° |
C11 | C16 | C15 | H16 | 180.0° | 179.9° |
C11 | C16 | C15 | C14 | 1.1° | 0.1° |
C11 | C16 | C15 | H15 | 178.9° | 180.0° |
C12 | C13 | C14 | C15 | 1.0° | 0.0° |
C12 | C13 | C14 | H13 | 180.0° | 179.8° |
C12 | C13 | C14 | H14 | 179.0° | 180.0° |
C16 | C15 | C14 | H15 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 1.7° | 0.0° |
C16 | C15 | C14 | H14 | 178.3° | 180.0° |
C15 | C14 | C13 | H14 | 180.0° | 180.0° |
C14 | C15 | C16 | H16 | 178.9° | 180.0° |
C15 | C14 | C13 | H13 | 179.0° | 179.8° |
C13 | C14 | C15 | H15 | 178.2° | 180.0° |
H | N | C1 | H11C | 63.7° | 61.4° |
H | N | C1 | H12C | 61.1° | 61.5° |
H5 | C5 | C6 | H6 | 1.0° | 0.0° |
H9 | C9 | C8 | H8 | 2.4° | 0.0° |
H16 | C16 | C15 | H15 | 1.2° | 0.0° |
H13 | C13 | C14 | H14 | 1.0° | 0.2° |
H15 | C15 | C14 | H14 | 1.8° | 0.0° |