GFO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
C28 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
C30 | C31 | doub | 1.36Å | 1.39Å | Aromatic |
C27 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
C27 | C32 | sing | 1.42Å | 1.36Å | Aromatic |
C31 | C32 | sing | 1.41Å | 1.43Å | Aromatic |
C26 | C25 | sing | 1.36Å | 1.36Å | Aromatic |
C32 | N1 | doub | 1.34Å | 1.40Å | Aromatic |
C25 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
C2 | N3 | sing | 1.39Å | 1.47Å | |
N3 | C4 | sing | 1.46Å | 1.45Å | |
C4 | C5 | sing | 1.51Å | 1.54Å | |
C5 | C6 | sing | 1.51Å | 1.46Å | |
C5 | N24 | doub | 1.29Å | 1.44Å | |
C6 | C7 | sing | 1.52Å | 1.48Å | |
N24 | C23 | sing | 1.36Å | 1.52Å | |
C7 | O8 | doub | 1.21Å | 1.18Å | |
C7 | N9 | sing | 1.35Å | 1.49Å | |
C23 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
C23 | N22 | doub | 1.32Å | 1.36Å | Aromatic |
N9 | N10 | sing | 1.40Å | 1.36Å | Aromatic |
N22 | C11 | sing | 1.34Å | 1.39Å | Aromatic |
N10 | C11 | doub | 1.31Å | 1.37Å | Aromatic |
C11 | C12 | sing | 1.48Å | 1.54Å | |
C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.51Å | 1.53Å | |
C18 | C16 | sing | 1.53Å | 1.53Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C16 | C19 | sing | 1.53Å | 1.53Å | |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C17 | H4 | sing | 1.09Å | 1.10Å | |
C20 | H5 | sing | 1.08Å | 1.08Å | |
C21 | H6 | sing | 1.08Å | 1.08Å | |
C26 | H7 | sing | 1.08Å | 1.08Å | |
C28 | H8 | sing | 1.08Å | 1.08Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C18 | H15 | sing | 1.09Å | 1.10Å | |
C18 | H16 | sing | 1.09Å | 1.10Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C25 | H20 | sing | 1.08Å | 1.08Å | |
C29 | H21 | sing | 1.08Å | 1.08Å | |
C30 | H22 | sing | 1.08Å | 1.08Å | |
C31 | H23 | sing | 1.08Å | 1.08Å | |
N3 | H24 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C28 | C29 | C30 | 120.0° | 120.9° |
C29 | C28 | C27 | 120.0° | 119.7° |
C29 | C28 | H8 | 120.0° | 120.1° |
C28 | C29 | H21 | 120.0° | 119.6° |
C29 | C30 | C31 | 120.0° | 121.0° |
C30 | C29 | H21 | 120.0° | 119.6° |
C29 | C30 | H22 | 120.0° | 119.5° |
C28 | C27 | C26 | 120.8° | 121.3° |
C28 | C27 | C32 | 119.9° | 119.6° |
C27 | C28 | H8 | 120.0° | 120.2° |
C30 | C31 | C32 | 120.0° | 119.8° |
C31 | C30 | H22 | 120.0° | 119.5° |
C30 | C31 | H23 | 120.0° | 120.2° |
C26 | C27 | C32 | 119.3° | 119.1° |
C27 | C26 | C25 | 120.1° | 118.3° |
C27 | C26 | H7 | 120.0° | 120.8° |
C27 | C32 | C31 | 120.0° | 119.1° |
C27 | C32 | N1 | 120.2° | 119.9° |
C31 | C32 | N1 | 119.8° | 121.0° |
C32 | C31 | H23 | 120.0° | 120.1° |
C26 | C25 | C2 | 120.2° | 119.9° |
C25 | C26 | H7 | 120.0° | 120.9° |
C26 | C25 | H20 | 119.9° | 120.0° |
C32 | N1 | C2 | 120.1° | 121.2° |
C25 | C2 | N1 | 120.1° | 121.6° |
C25 | C2 | N3 | 119.9° | 119.2° |
C2 | C25 | H20 | 119.9° | 120.1° |
N1 | C2 | N3 | 120.0° | 119.2° |
C2 | N3 | C4 | 119.9° | 120.0° |
C2 | N3 | H24 | 106.8° | 120.0° |
N3 | C4 | C5 | 110.5° | 109.5° |
N3 | C4 | H9 | 109.2° | 109.5° |
N3 | C4 | H10 | 109.2° | 109.5° |
C4 | N3 | H24 | 106.8° | 120.0° |
C4 | C5 | C6 | 120.1° | 120.8° |
C4 | C5 | N24 | 120.1° | 120.7° |
C5 | C4 | H9 | 109.2° | 109.5° |
C5 | C4 | H10 | 109.2° | 109.4° |
C6 | C5 | N24 | 119.8° | 118.5° |
C5 | C6 | C7 | 119.7° | 116.3° |
C5 | C6 | H11 | 106.9° | 108.2° |
C5 | C6 | H12 | 106.9° | 108.2° |
C5 | N24 | C23 | 120.0° | 123.3° |
C6 | C7 | O8 | 120.1° | 121.4° |
C6 | C7 | N9 | 119.9° | 117.3° |
C7 | C6 | H11 | 106.8° | 108.1° |
C7 | C6 | H12 | 106.8° | 108.1° |
N24 | C23 | N9 | 120.4° | 123.0° |
N24 | C23 | N22 | 131.8° | 129.9° |
O8 | C7 | N9 | 120.0° | 121.3° |
C7 | N9 | C23 | 120.2° | 121.6° |
C7 | N9 | N10 | 131.3° | 131.5° |
N9 | C23 | N22 | 107.8° | 107.2° |
C23 | N9 | N10 | 108.5° | 106.8° |
C23 | N22 | C11 | 107.9° | 110.0° |
N9 | N10 | C11 | 107.8° | 106.8° |
N22 | C11 | N10 | 107.9° | 109.2° |
N22 | C11 | C12 | 126.0° | 125.4° |
N10 | C11 | C12 | 126.1° | 125.4° |
C11 | C12 | C13 | 120.0° | 120.1° |
C11 | C12 | C21 | 120.0° | 120.1° |
C12 | C13 | C14 | 120.0° | 119.9° |
C13 | C12 | C21 | 120.0° | 119.8° |
C12 | C13 | H1 | 120.0° | 120.0° |
C13 | C14 | C15 | 120.0° | 120.1° |
C14 | C13 | H1 | 120.0° | 120.0° |
C13 | C14 | H13 | 120.0° | 120.0° |
C12 | C21 | C20 | 120.0° | 119.8° |
C12 | C21 | H6 | 120.0° | 120.1° |
C14 | C15 | C20 | 119.9° | 120.3° |
C14 | C15 | C16 | 120.1° | 119.9° |
C15 | C14 | H13 | 120.0° | 119.9° |
C21 | C20 | C15 | 120.1° | 120.1° |
C21 | C20 | H5 | 120.0° | 119.9° |
C20 | C21 | H6 | 120.0° | 120.0° |
C20 | C15 | C16 | 120.0° | 119.8° |
C15 | C20 | H5 | 120.0° | 119.9° |
C15 | C16 | C18 | 109.5° | 109.5° |
C15 | C16 | C17 | 109.6° | 109.5° |
C15 | C16 | C19 | 109.4° | 109.5° |
C18 | C16 | C17 | 109.5° | 109.5° |
C18 | C16 | C19 | 109.5° | 109.4° |
C16 | C18 | H14 | 109.5° | 109.5° |
C16 | C18 | H15 | 109.5° | 109.5° |
C16 | C18 | H16 | 109.4° | 109.5° |
C17 | C16 | C19 | 109.5° | 109.5° |
C16 | C17 | H2 | 109.5° | 109.5° |
C16 | C17 | H3 | 109.5° | 109.5° |
C16 | C17 | H4 | 109.5° | 109.4° |
C16 | C19 | H17 | 109.5° | 109.5° |
C16 | C19 | H18 | 109.5° | 109.5° |
C16 | C19 | H19 | 109.4° | 109.5° |
H2 | C17 | H3 | 109.4° | 109.5° |
H2 | C17 | H4 | 109.5° | 109.5° |
H3 | C17 | H4 | 109.5° | 109.5° |
H9 | C4 | H10 | 109.5° | 109.5° |
H11 | C6 | H12 | 109.5° | 107.8° |
H14 | C18 | H15 | 109.4° | 109.5° |
H14 | C18 | H16 | 109.5° | 109.5° |
H15 | C18 | H16 | 109.5° | 109.4° |
H17 | C19 | H18 | 109.5° | 109.5° |
H17 | C19 | H19 | 109.5° | 109.5° |
H18 | C19 | H19 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C28 | C29 | C30 | H21 | 180.0° | 180.0° |
C29 | C28 | C27 | H8 | 180.0° | 180.0° |
C28 | C29 | C30 | C31 | 0.0° | 0.1° |
C29 | C28 | C27 | C26 | 180.0° | 180.0° |
C29 | C28 | C27 | C32 | 0.0° | 0.1° |
C28 | C29 | C30 | H22 | 180.0° | 179.9° |
C30 | C29 | C28 | C27 | 0.0° | 0.1° |
C29 | C30 | C31 | H22 | 180.0° | 179.8° |
C29 | C30 | C31 | C32 | 0.0° | 0.1° |
C30 | C29 | C28 | H8 | 180.0° | 180.0° |
C29 | C30 | C31 | H23 | 180.0° | 180.0° |
C28 | C27 | C26 | C32 | 180.0° | 179.9° |
C28 | C27 | C32 | C31 | 0.0° | 0.1° |
C28 | C27 | C26 | C25 | 180.0° | 180.0° |
C28 | C27 | C32 | N1 | 180.0° | 180.0° |
C28 | C27 | C26 | H7 | 0.0° | 0.3° |
C27 | C28 | C29 | H21 | 180.0° | 180.0° |
C30 | C31 | C32 | C27 | 0.0° | 0.1° |
C30 | C31 | C32 | H23 | 180.0° | 179.9° |
C30 | C31 | C32 | N1 | 180.0° | 179.9° |
C31 | C30 | C29 | H21 | 180.0° | 179.9° |
C26 | C27 | C32 | C31 | 180.0° | 180.0° |
C27 | C26 | C25 | H7 | 180.0° | 179.7° |
C26 | C27 | C32 | N1 | 0.0° | 0.1° |
C27 | C26 | C25 | C2 | 0.0° | 0.3° |
C26 | C27 | C28 | H8 | 0.0° | 0.1° |
C27 | C26 | C25 | H20 | 180.0° | 179.7° |
C27 | C32 | C31 | N1 | 180.0° | 179.9° |
C32 | C27 | C26 | C25 | 0.0° | 0.1° |
C27 | C32 | N1 | C2 | 0.0° | 0.3° |
C32 | C27 | C26 | H7 | 180.0° | 179.8° |
C32 | C27 | C28 | H8 | 180.0° | 180.0° |
C27 | C32 | C31 | H23 | 180.0° | 180.0° |
C31 | C32 | N1 | C2 | 180.0° | 179.8° |
C32 | C31 | C30 | H22 | 180.0° | 180.0° |
C26 | C25 | C2 | H20 | 180.0° | 180.0° |
C26 | C25 | C2 | N1 | 0.0° | 0.6° |
C26 | C25 | C2 | N3 | 180.0° | 180.0° |
C32 | N1 | C2 | C25 | 0.0° | 0.5° |
C32 | N1 | C2 | N3 | 180.0° | 180.0° |
N1 | C32 | C31 | H23 | 0.0° | 0.0° |
C25 | C2 | N1 | N3 | 180.0° | 179.5° |
C25 | C2 | N3 | C4 | 4.7° | 0.0° |
C2 | C25 | C26 | H7 | 180.0° | 180.0° |
C25 | C2 | N3 | H24 | 116.8° | 180.0° |
N1 | C2 | N3 | C4 | 175.3° | 179.5° |
N1 | C2 | C25 | H20 | 180.0° | 179.5° |
N1 | C2 | N3 | H24 | 63.2° | 0.5° |
C2 | N3 | C4 | H24 | 121.5° | 180.0° |
C2 | N3 | C4 | C5 | 170.3° | 180.0° |
C2 | N3 | C4 | H9 | 69.5° | 60.0° |
C2 | N3 | C4 | H10 | 50.1° | 60.1° |
N3 | C2 | C25 | H20 | 0.0° | 0.0° |
N3 | C4 | C5 | H9 | 120.2° | 120.1° |
N3 | C4 | C5 | H10 | 120.1° | 120.0° |
N3 | C4 | C5 | C6 | 160.6° | 180.0° |
N3 | C4 | C5 | N24 | 19.4° | 0.3° |
N3 | C4 | H9 | H10 | 119.5° | 120.0° |
C4 | C5 | C6 | N24 | 180.0° | 179.7° |
C4 | C5 | C6 | C7 | 180.0° | 180.0° |
C4 | C5 | N24 | C23 | 180.0° | 179.7° |
C5 | C4 | H9 | H10 | 119.5° | 119.9° |
C4 | C5 | C6 | H11 | 58.6° | 58.2° |
C4 | C5 | C6 | H12 | 58.6° | 58.2° |
C5 | C4 | N3 | H24 | 48.8° | 0.0° |
C5 | C6 | C7 | H11 | 121.5° | 121.8° |
C5 | C6 | C7 | H12 | 121.4° | 121.8° |
C6 | C5 | N24 | C23 | 0.0° | 0.6° |
C5 | C6 | C7 | O8 | 180.0° | 180.0° |
C5 | C6 | C7 | N9 | 0.0° | 0.0° |
C6 | C5 | C4 | H9 | 40.4° | 59.9° |
C6 | C5 | C4 | H10 | 79.3° | 60.0° |
C5 | C6 | H11 | H12 | 115.4° | 116.7° |
N24 | C5 | C6 | C7 | 0.0° | 0.3° |
C5 | N24 | C23 | N9 | 0.0° | 0.6° |
C5 | N24 | C23 | N22 | 180.0° | 179.7° |
N24 | C5 | C4 | H9 | 139.6° | 119.8° |
N24 | C5 | C4 | H10 | 100.7° | 120.3° |
N24 | C5 | C6 | H11 | 121.4° | 122.0° |
N24 | C5 | C6 | H12 | 121.4° | 121.5° |
C6 | C7 | O8 | N9 | 180.0° | 179.9° |
C6 | C7 | N9 | C23 | 0.0° | 0.1° |
C6 | C7 | N9 | N10 | 180.0° | 180.0° |
C7 | C6 | H11 | H12 | 115.3° | 116.6° |
N24 | C23 | N9 | C7 | 0.0° | 0.3° |
N24 | C23 | N9 | N22 | 180.0° | 179.8° |
N24 | C23 | N9 | N10 | 180.0° | 179.8° |
N24 | C23 | N22 | C11 | 180.0° | 179.7° |
O8 | C7 | N9 | C23 | 180.0° | 180.0° |
O8 | C7 | N9 | N10 | 0.0° | 0.1° |
O8 | C7 | C6 | H11 | 58.6° | 58.2° |
O8 | C7 | C6 | H12 | 58.6° | 58.2° |
C7 | N9 | C23 | N10 | 180.0° | 179.9° |
C7 | N9 | C23 | N22 | 180.0° | 179.9° |
C7 | N9 | N10 | C11 | 180.0° | 180.0° |
N9 | C7 | C6 | H11 | 121.4° | 121.8° |
N9 | C7 | C6 | H12 | 121.4° | 121.7° |
N9 | C23 | N22 | C11 | 0.1° | 0.0° |
C23 | N9 | N10 | C11 | 0.0° | 0.0° |
N22 | C23 | N9 | N10 | 0.0° | 0.0° |
C23 | N22 | C11 | N10 | 0.1° | 0.1° |
C23 | N22 | C11 | C12 | 180.0° | 180.0° |
N9 | N10 | C11 | N22 | 0.1° | 0.1° |
N9 | N10 | C11 | C12 | 180.0° | 180.0° |
N22 | C11 | N10 | C12 | 179.9° | 179.9° |
N22 | C11 | C12 | C13 | 27.6° | 0.1° |
N22 | C11 | C12 | C21 | 152.4° | 179.9° |
N10 | C11 | C12 | C13 | 152.5° | 180.0° |
N10 | C11 | C12 | C21 | 27.5° | 0.0° |
C11 | C12 | C13 | C21 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 180.0° | 180.0° |
C11 | C12 | C21 | C20 | 179.9° | 180.0° |
C11 | C12 | C13 | H1 | 0.0° | 0.2° |
C11 | C12 | C21 | H6 | 0.1° | 0.0° |
C12 | C13 | C14 | H1 | 180.0° | 179.8° |
C12 | C13 | C14 | C15 | 0.0° | 0.0° |
C13 | C12 | C21 | C20 | 0.1° | 0.0° |
C13 | C12 | C21 | H6 | 180.0° | 179.9° |
C12 | C13 | C14 | H13 | 180.0° | 179.9° |
C14 | C13 | C12 | C21 | 0.0° | 0.0° |
C13 | C14 | C15 | H13 | 180.0° | 179.9° |
C13 | C14 | C15 | C20 | 0.0° | 0.1° |
C13 | C14 | C15 | C16 | 180.0° | 179.9° |
C12 | C21 | C20 | H6 | 180.0° | 179.9° |
C12 | C21 | C20 | C15 | 0.1° | 0.1° |
C21 | C12 | C13 | H1 | 180.0° | 179.7° |
C12 | C21 | C20 | H5 | 179.9° | 180.0° |
C14 | C15 | C20 | C21 | 0.1° | 0.1° |
C14 | C15 | C20 | C16 | 180.0° | 179.8° |
C14 | C15 | C16 | C18 | 11.2° | 0.2° |
C14 | C15 | C16 | C17 | 108.8° | 119.8° |
C14 | C15 | C16 | C19 | 131.2° | 120.1° |
C15 | C14 | C13 | H1 | 180.0° | 179.8° |
C14 | C15 | C20 | H5 | 179.9° | 179.9° |
C21 | C20 | C15 | H5 | 180.0° | 179.9° |
C21 | C20 | C15 | C16 | 179.9° | 180.0° |
C20 | C15 | C16 | C18 | 168.8° | 180.0° |
C20 | C15 | C16 | C17 | 71.2° | 60.0° |
C20 | C15 | C16 | C19 | 48.8° | 60.1° |
C15 | C20 | C21 | H6 | 179.9° | 180.0° |
C20 | C15 | C14 | H13 | 180.0° | 180.0° |
C15 | C16 | C18 | C17 | 120.1° | 120.0° |
C15 | C16 | C18 | C19 | 119.9° | 120.0° |
C15 | C16 | C17 | C19 | 119.9° | 120.0° |
C15 | C16 | C17 | H2 | 180.0° | 60.0° |
C15 | C16 | C17 | H3 | 60.0° | 180.0° |
C15 | C16 | C17 | H4 | 60.0° | 60.1° |
C16 | C15 | C20 | H5 | 0.1° | 0.1° |
C16 | C15 | C14 | H13 | 0.0° | 0.2° |
C15 | C16 | C18 | H14 | 180.0° | 60.0° |
C15 | C16 | C18 | H15 | 60.0° | 180.0° |
C15 | C16 | C18 | H16 | 60.0° | 60.0° |
C15 | C16 | C19 | H17 | 180.0° | 60.1° |
C15 | C16 | C19 | H18 | 60.0° | 179.9° |
C15 | C16 | C19 | H19 | 60.0° | 60.0° |
C18 | C16 | C17 | C19 | 120.0° | 120.0° |
C18 | C16 | C17 | H2 | 59.9° | 60.0° |
C18 | C16 | C17 | H3 | 60.1° | 60.0° |
C18 | C16 | C17 | H4 | 179.9° | 179.9° |
C16 | C18 | H14 | H15 | 120.0° | 120.1° |
C16 | C18 | H14 | H16 | 120.0° | 120.0° |
C16 | C18 | H15 | H16 | 120.0° | 120.0° |
C18 | C16 | C19 | H17 | 60.0° | 180.0° |
C18 | C16 | C19 | H18 | 180.0° | 60.0° |
C18 | C16 | C19 | H19 | 60.0° | 60.0° |
C16 | C17 | H2 | H3 | 120.0° | 120.0° |
C16 | C17 | H2 | H4 | 120.0° | 120.0° |
C16 | C17 | H3 | H4 | 120.0° | 119.9° |
C17 | C16 | C18 | H14 | 59.9° | 180.0° |
C17 | C16 | C18 | H15 | 179.9° | 60.0° |
C17 | C16 | C18 | H16 | 60.1° | 60.0° |
C17 | C16 | C19 | H17 | 60.0° | 60.0° |
C17 | C16 | C19 | H18 | 60.1° | 60.0° |
C17 | C16 | C19 | H19 | 180.0° | 179.9° |
C19 | C16 | C17 | H2 | 60.1° | 180.0° |
C19 | C16 | C17 | H3 | 179.9° | 60.0° |
C19 | C16 | C17 | H4 | 59.9° | 60.0° |
C19 | C16 | C18 | H14 | 60.1° | 60.0° |
C19 | C16 | C18 | H15 | 59.9° | 60.0° |
C19 | C16 | C18 | H16 | 179.9° | 180.0° |
C16 | C19 | H17 | H18 | 120.0° | 120.0° |
C16 | C19 | H17 | H19 | 120.0° | 120.0° |
C16 | C19 | H18 | H19 | 120.0° | 120.0° |
H1 | C13 | C14 | H13 | 0.0° | 0.3° |
H2 | C17 | H3 | H4 | 120.0° | 120.1° |
H5 | C20 | C21 | H6 | 0.1° | 0.1° |
H7 | C26 | C25 | H20 | 0.0° | 0.0° |
H8 | C28 | C29 | H21 | 0.0° | 0.0° |
H9 | C4 | N3 | H24 | 169.0° | 120.0° |
H10 | C4 | N3 | H24 | 71.4° | 120.0° |
H14 | C18 | H15 | H16 | 120.0° | 120.0° |
H17 | C19 | H18 | H19 | 120.0° | 120.0° |
H21 | C29 | C30 | H22 | 0.0° | 0.1° |
H22 | C30 | C31 | H23 | 0.0° | 0.1° |