EP7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O25 | C26 | sing | 1.43Å | 1.42Å | |
O25 | C17 | sing | 1.36Å | 1.38Å | |
C18 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
C30 | C28 | sing | 1.53Å | 1.51Å | |
C28 | C24 | sing | 1.53Å | 1.51Å | |
C28 | C29 | sing | 1.53Å | 1.51Å | |
C16 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
O22 | C11 | doub | 1.22Å | 1.22Å | |
C24 | N23 | sing | 1.46Å | 1.44Å | |
C20 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C20 | CL1 | sing | 1.74Å | 1.74Å | |
C15 | C14 | sing | 1.48Å | 1.45Å | |
C11 | N23 | sing | 1.35Å | 1.37Å | |
C11 | C5 | sing | 1.48Å | 1.47Å | |
C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
C14 | N13 | doub | 1.32Å | 1.31Å | Aromatic |
C14 | N10 | sing | 1.36Å | 1.37Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
N13 | N12 | sing | 1.29Å | 1.37Å | Aromatic |
N10 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
N10 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
C3 | C2 | doub | 1.41Å | 1.38Å | Aromatic |
C6 | C1 | doub | 1.36Å | 1.38Å | Aromatic |
N12 | C9 | doub | 1.32Å | 1.31Å | Aromatic |
C9 | C8 | sing | 1.41Å | 1.43Å | Aromatic |
C2 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
C2 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
C8 | N7 | doub | 1.31Å | 1.29Å | Aromatic |
C8 | C27 | sing | 1.51Å | 1.50Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C24 | H3 | sing | 1.09Å | 1.10Å | |
C24 | H4 | sing | 1.09Å | 1.10Å | |
C26 | H5 | sing | 1.09Å | 1.10Å | |
C26 | H6 | sing | 1.09Å | 1.10Å | |
C26 | H7 | sing | 1.09Å | 1.10Å | |
C28 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.08Å | 1.08Å | |
C16 | H12 | sing | 1.08Å | 1.08Å | |
C27 | H13 | sing | 1.09Å | 1.10Å | |
C27 | H14 | sing | 1.09Å | 1.10Å | |
C27 | H15 | sing | 1.09Å | 1.10Å | |
C29 | H16 | sing | 1.09Å | 1.10Å | |
C29 | H17 | sing | 1.09Å | 1.10Å | |
C29 | H18 | sing | 1.09Å | 1.10Å | |
C30 | H19 | sing | 1.09Å | 1.10Å | |
C30 | H20 | sing | 1.09Å | 1.10Å | |
C30 | H21 | sing | 1.09Å | 1.10Å | |
N23 | H22 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C26 | O25 | C17 | 105.7° | 117.0° |
O25 | C26 | H5 | 109.5° | 109.5° |
O25 | C26 | H6 | 109.5° | 109.5° |
O25 | C26 | H7 | 109.5° | 109.5° |
O25 | C17 | C18 | 115.9° | 120.0° |
O25 | C17 | C16 | 122.0° | 119.9° |
C17 | C18 | C19 | 119.7° | 120.2° |
C18 | C17 | C16 | 122.2° | 120.1° |
C17 | C18 | H10 | 120.1° | 119.9° |
C18 | C19 | C20 | 118.9° | 120.2° |
C19 | C18 | H10 | 120.2° | 119.9° |
C18 | C19 | H11 | 120.6° | 119.9° |
C17 | C16 | C15 | 118.2° | 119.8° |
C17 | C16 | H12 | 120.9° | 120.1° |
C19 | C20 | C15 | 121.8° | 119.9° |
C19 | C20 | CL1 | 115.6° | 120.1° |
C20 | C19 | H11 | 120.6° | 119.9° |
C30 | C28 | C24 | 109.4° | 109.5° |
C30 | C28 | C29 | 109.3° | 109.5° |
C30 | C28 | H8 | 109.5° | 109.5° |
C28 | C30 | H19 | 109.5° | 109.5° |
C28 | C30 | H20 | 109.5° | 109.4° |
C28 | C30 | H21 | 109.5° | 109.5° |
C24 | C28 | C29 | 109.5° | 109.5° |
C28 | C24 | N23 | 109.9° | 109.4° |
C28 | C24 | H3 | 109.4° | 109.4° |
C28 | C24 | H4 | 109.4° | 109.4° |
C24 | C28 | H8 | 109.6° | 109.5° |
C29 | C28 | H8 | 109.6° | 109.5° |
C28 | C29 | H16 | 109.5° | 109.5° |
C28 | C29 | H17 | 109.5° | 109.5° |
C28 | C29 | H18 | 109.5° | 109.5° |
C16 | C15 | C20 | 119.3° | 119.8° |
C16 | C15 | C14 | 122.2° | 120.1° |
C15 | C16 | H12 | 120.9° | 120.1° |
O22 | C11 | N23 | 126.0° | 120.0° |
O22 | C11 | C5 | 121.6° | 120.0° |
C24 | N23 | C11 | 119.2° | 120.0° |
N23 | C24 | H3 | 109.3° | 109.5° |
N23 | C24 | H4 | 109.4° | 109.5° |
C24 | N23 | H22 | 120.4° | 120.0° |
C15 | C20 | CL1 | 122.6° | 120.0° |
C20 | C15 | C14 | 118.5° | 120.1° |
C15 | C14 | N13 | 121.6° | 126.4° |
C15 | C14 | N10 | 129.5° | 126.4° |
N23 | C11 | C5 | 112.3° | 120.0° |
C11 | N23 | H22 | 120.4° | 120.0° |
C11 | C5 | C4 | 118.4° | 120.0° |
C11 | C5 | C6 | 120.3° | 119.9° |
C5 | C4 | C3 | 118.4° | 119.7° |
C4 | C5 | C6 | 121.3° | 120.1° |
C5 | C4 | H1 | 120.8° | 120.1° |
C4 | C3 | N10 | 120.7° | 121.0° |
C4 | C3 | C2 | 122.2° | 119.9° |
C3 | C4 | H1 | 120.8° | 120.2° |
N13 | C14 | N10 | 108.4° | 107.2° |
C14 | N13 | N12 | 108.7° | 110.1° |
C14 | N10 | C3 | 134.3° | 134.8° |
C14 | N10 | C9 | 105.8° | 106.1° |
C5 | C6 | C1 | 118.9° | 120.5° |
C5 | C6 | H2 | 120.5° | 119.7° |
N13 | N12 | C9 | 107.2° | 109.8° |
C3 | N10 | C9 | 119.9° | 119.1° |
N10 | C3 | C2 | 117.0° | 119.1° |
N10 | C9 | N12 | 109.9° | 106.9° |
N10 | C9 | C8 | 120.5° | 119.3° |
C3 | C2 | C1 | 117.7° | 119.6° |
C3 | C2 | N7 | 123.1° | 120.1° |
C6 | C1 | C2 | 121.6° | 120.2° |
C1 | C6 | H2 | 120.6° | 119.8° |
C6 | C1 | H9 | 119.2° | 119.9° |
N12 | C9 | C8 | 129.6° | 133.8° |
C9 | C8 | N7 | 120.9° | 120.9° |
C9 | C8 | C27 | 116.9° | 119.6° |
C1 | C2 | N7 | 119.2° | 120.3° |
C2 | C1 | H9 | 119.2° | 119.9° |
C2 | N7 | C8 | 118.5° | 121.5° |
N7 | C8 | C27 | 122.2° | 119.6° |
C8 | C27 | H13 | 109.5° | 109.5° |
C8 | C27 | H14 | 109.5° | 109.4° |
C8 | C27 | H15 | 109.5° | 109.5° |
H3 | C24 | H4 | 109.5° | 109.5° |
H5 | C26 | H6 | 109.5° | 109.5° |
H5 | C26 | H7 | 109.4° | 109.5° |
H6 | C26 | H7 | 109.5° | 109.4° |
H13 | C27 | H14 | 109.5° | 109.5° |
H13 | C27 | H15 | 109.5° | 109.5° |
H14 | C27 | H15 | 109.5° | 109.5° |
H16 | C29 | H17 | 109.5° | 109.5° |
H16 | C29 | H18 | 109.4° | 109.5° |
H17 | C29 | H18 | 109.5° | 109.4° |
H19 | C30 | H20 | 109.4° | 109.4° |
H19 | C30 | H21 | 109.5° | 109.5° |
H20 | C30 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C26 | O25 | C17 | C18 | 167.6° | 0.1° |
C26 | O25 | C17 | C16 | 12.3° | 180.0° |
O25 | C26 | H5 | H6 | 120.0° | 120.0° |
O25 | C26 | H5 | H7 | 120.0° | 120.0° |
O25 | C26 | H6 | H7 | 120.0° | 120.0° |
O25 | C17 | C18 | C16 | 179.9° | 180.0° |
O25 | C17 | C18 | C19 | 179.9° | 179.8° |
O25 | C17 | C16 | C15 | 179.9° | 179.9° |
C17 | O25 | C26 | H5 | 180.0° | 59.9° |
C17 | O25 | C26 | H6 | 60.0° | 60.0° |
C17 | O25 | C26 | H7 | 60.0° | 180.0° |
O25 | C17 | C18 | H10 | 0.1° | 0.0° |
O25 | C17 | C16 | H12 | 0.1° | 0.0° |
C17 | C18 | C19 | H10 | 180.0° | 179.8° |
C17 | C18 | C19 | C20 | 0.4° | 0.2° |
C18 | C17 | C16 | C15 | 0.2° | 0.0° |
C17 | C18 | C19 | H11 | 179.6° | 179.8° |
C18 | C17 | C16 | H12 | 179.8° | 179.9° |
C19 | C18 | C17 | C16 | 0.0° | 0.2° |
C18 | C19 | C20 | H11 | 180.0° | 179.9° |
C18 | C19 | C20 | C15 | 1.0° | 0.0° |
C18 | C19 | C20 | CL1 | 179.9° | 180.0° |
C17 | C16 | C15 | H12 | 180.0° | 179.9° |
C17 | C16 | C15 | C20 | 0.8° | 0.2° |
C17 | C16 | C15 | C14 | 178.7° | 180.0° |
C16 | C17 | C18 | H10 | 179.9° | 180.0° |
C19 | C20 | C15 | C16 | 1.2° | 0.2° |
C19 | C20 | C15 | CL1 | 179.0° | 180.0° |
C19 | C20 | C15 | C14 | 179.3° | 180.0° |
C20 | C19 | C18 | H10 | 179.5° | 180.0° |
C30 | C28 | C24 | C29 | 119.7° | 120.0° |
C30 | C28 | C24 | H8 | 120.1° | 120.0° |
C30 | C28 | C29 | H8 | 120.0° | 120.0° |
C30 | C28 | C24 | N23 | 131.0° | 175.0° |
C30 | C28 | C24 | H3 | 109.0° | 55.0° |
C30 | C28 | C24 | H4 | 10.9° | 65.1° |
C30 | C28 | C29 | H16 | 180.0° | 60.0° |
C30 | C28 | C29 | H17 | 60.0° | 180.0° |
C30 | C28 | C29 | H18 | 60.0° | 60.0° |
C28 | C30 | H19 | H20 | 120.0° | 120.0° |
C28 | C30 | H19 | H21 | 120.0° | 120.0° |
C28 | C30 | H20 | H21 | 120.0° | 120.0° |
C24 | C28 | C29 | H8 | 120.2° | 120.0° |
C28 | C24 | N23 | H3 | 120.1° | 120.0° |
C28 | C24 | N23 | H4 | 120.1° | 119.9° |
C28 | C24 | N23 | C11 | 117.1° | 180.0° |
C28 | C24 | H3 | H4 | 119.8° | 120.0° |
C24 | C28 | C29 | H16 | 60.2° | 180.0° |
C24 | C28 | C29 | H17 | 59.8° | 60.0° |
C24 | C28 | C29 | H18 | 179.8° | 60.0° |
C24 | C28 | C30 | H19 | 180.0° | 60.0° |
C24 | C28 | C30 | H20 | 60.0° | 180.0° |
C24 | C28 | C30 | H21 | 60.0° | 60.0° |
C28 | C24 | N23 | H22 | 62.8° | 0.1° |
C29 | C28 | C24 | N23 | 11.3° | 65.0° |
C29 | C28 | C24 | H3 | 131.3° | 175.0° |
C29 | C28 | C24 | H4 | 108.8° | 55.0° |
C28 | C29 | H16 | H17 | 120.0° | 120.0° |
C28 | C29 | H16 | H18 | 120.0° | 120.0° |
C28 | C29 | H17 | H18 | 120.0° | 120.0° |
C29 | C28 | C30 | H19 | 60.1° | 180.0° |
C29 | C28 | C30 | H20 | 59.8° | 60.0° |
C29 | C28 | C30 | H21 | 179.9° | 60.0° |
C16 | C15 | C20 | C14 | 178.0° | 179.8° |
C16 | C15 | C20 | CL1 | 179.7° | 179.8° |
C16 | C15 | C14 | N13 | 69.7° | 89.9° |
C16 | C15 | C14 | N10 | 118.7° | 90.1° |
O22 | C11 | N23 | C24 | 2.6° | 0.1° |
O22 | C11 | N23 | C5 | 177.3° | 179.9° |
O22 | C11 | C5 | C4 | 32.2° | 0.0° |
O22 | C11 | C5 | C6 | 148.3° | 180.0° |
O22 | C11 | N23 | H22 | 177.4° | 180.0° |
C24 | N23 | C11 | H22 | 180.0° | 179.9° |
C24 | N23 | C11 | C5 | 179.9° | 180.0° |
N23 | C24 | H3 | H4 | 119.8° | 120.0° |
N23 | C24 | C28 | H8 | 108.9° | 55.0° |
C20 | C15 | C14 | N13 | 108.2° | 89.9° |
C20 | C15 | C14 | N10 | 63.3° | 90.1° |
C15 | C20 | C19 | H11 | 179.0° | 180.0° |
C20 | C15 | C16 | H12 | 179.2° | 179.7° |
CL1 | C20 | C15 | C14 | 1.7° | 0.0° |
CL1 | C20 | C19 | H11 | 0.1° | 0.0° |
C15 | C14 | N13 | N10 | 173.1° | 180.0° |
C15 | C14 | N13 | N12 | 172.8° | 180.0° |
C15 | C14 | N10 | C3 | 9.0° | 0.1° |
C15 | C14 | N10 | C9 | 171.1° | 180.0° |
C14 | C15 | C16 | H12 | 1.2° | 0.1° |
N23 | C11 | C5 | C4 | 145.3° | 180.0° |
N23 | C11 | C5 | C6 | 34.2° | 0.0° |
C11 | N23 | C24 | H3 | 2.9° | 60.0° |
C11 | N23 | C24 | H4 | 122.8° | 60.1° |
C11 | C5 | C4 | C6 | 179.5° | 180.0° |
C11 | C5 | C4 | C3 | 179.5° | 180.0° |
C11 | C5 | C6 | C1 | 179.5° | 180.0° |
C11 | C5 | C4 | H1 | 0.5° | 0.2° |
C11 | C5 | C6 | H2 | 0.5° | 0.1° |
C5 | C11 | N23 | H22 | 0.1° | 0.1° |
C5 | C4 | C3 | H1 | 180.0° | 179.8° |
C5 | C4 | C3 | N10 | 179.6° | 180.0° |
C5 | C4 | C3 | C2 | 0.1° | 0.0° |
C4 | C5 | C6 | C1 | 0.0° | 0.0° |
C4 | C5 | C6 | H2 | 180.0° | 179.9° |
C4 | C3 | N10 | C14 | 1.2° | 0.1° |
C3 | C4 | C5 | C6 | 0.0° | 0.0° |
C4 | C3 | N10 | C2 | 179.5° | 180.0° |
C4 | C3 | N10 | C9 | 178.6° | 180.0° |
C4 | C3 | C2 | C1 | 0.2° | 0.0° |
C4 | C3 | C2 | N7 | 179.8° | 179.9° |
N13 | C14 | N10 | C3 | 178.6° | 179.9° |
N13 | C14 | N10 | C9 | 1.3° | 0.0° |
C14 | N13 | N12 | C9 | 0.8° | 0.1° |
N10 | C14 | N13 | N12 | 0.3° | 0.0° |
C14 | N10 | C3 | C9 | 179.8° | 179.9° |
C14 | N10 | C3 | C2 | 178.4° | 180.0° |
C14 | N10 | C9 | N12 | 1.8° | 0.1° |
C14 | N10 | C9 | C8 | 178.2° | 179.9° |
C5 | C6 | C1 | H2 | 180.0° | 180.0° |
C5 | C6 | C1 | C2 | 0.1° | 0.0° |
C6 | C5 | C4 | H1 | 180.0° | 179.8° |
C5 | C6 | C1 | H9 | 179.9° | 180.0° |
N13 | N12 | C9 | N10 | 1.6° | 0.1° |
N13 | N12 | C9 | C8 | 178.4° | 179.9° |
C3 | N10 | C9 | N12 | 178.1° | 180.0° |
C3 | N10 | C9 | C8 | 1.9° | 0.2° |
N10 | C3 | C2 | C1 | 179.7° | 180.0° |
N10 | C3 | C2 | N7 | 0.7° | 0.0° |
N10 | C3 | C4 | H1 | 0.4° | 0.2° |
C9 | N10 | C3 | C2 | 1.8° | 0.1° |
N10 | C9 | N12 | C8 | 180.0° | 179.7° |
N10 | C9 | C8 | N7 | 0.8° | 0.2° |
N10 | C9 | C8 | C27 | 178.7° | 180.0° |
C3 | C2 | C1 | C6 | 0.2° | 0.0° |
C3 | C2 | C1 | N7 | 179.6° | 180.0° |
C3 | C2 | N7 | C8 | 0.4° | 0.0° |
C2 | C3 | C4 | H1 | 179.9° | 179.8° |
C3 | C2 | C1 | H9 | 179.8° | 180.0° |
C6 | C1 | C2 | H9 | 180.0° | 180.0° |
C6 | C1 | C2 | N7 | 179.8° | 179.9° |
N12 | C9 | C8 | N7 | 179.2° | 180.0° |
N12 | C9 | C8 | C27 | 1.3° | 0.2° |
C9 | C8 | N7 | C2 | 0.4° | 0.1° |
C9 | C8 | N7 | C27 | 179.4° | 179.8° |
C9 | C8 | C27 | H13 | 179.4° | 179.8° |
C9 | C8 | C27 | H14 | 60.5° | 60.2° |
C9 | C8 | C27 | H15 | 59.4° | 59.8° |
C1 | C2 | N7 | C8 | 179.2° | 180.0° |
C2 | C1 | C6 | H2 | 179.9° | 180.0° |
C2 | N7 | C8 | C27 | 179.8° | 179.9° |
N7 | C2 | C1 | H9 | 0.2° | 0.1° |
N7 | C8 | C27 | H13 | 0.0° | 0.0° |
N7 | C8 | C27 | H14 | 120.0° | 120.0° |
N7 | C8 | C27 | H15 | 120.0° | 120.0° |
C8 | C27 | H13 | H14 | 120.0° | 119.9° |
C8 | C27 | H13 | H15 | 120.0° | 120.1° |
C8 | C27 | H14 | H15 | 120.0° | 120.0° |
H2 | C6 | C1 | H9 | 0.1° | 0.0° |
H3 | C24 | C28 | H8 | 11.1° | 65.0° |
H3 | C24 | N23 | H22 | 177.1° | 119.9° |
H4 | C24 | C28 | H8 | 131.0° | 175.0° |
H4 | C24 | N23 | H22 | 57.3° | 120.0° |
H5 | C26 | H6 | H7 | 120.0° | 120.0° |
H8 | C28 | C29 | H16 | 60.0° | 60.0° |
H8 | C28 | C29 | H17 | 180.0° | 60.0° |
H8 | C28 | C29 | H18 | 60.0° | 180.0° |
H8 | C28 | C30 | H19 | 59.9° | 59.9° |
H8 | C28 | C30 | H20 | 179.9° | 60.0° |
H8 | C28 | C30 | H21 | 60.1° | 180.0° |
H10 | C18 | C19 | H11 | 0.4° | 0.1° |
H13 | C27 | H14 | H15 | 120.0° | 120.0° |
H16 | C29 | H17 | H18 | 120.0° | 120.0° |
H19 | C30 | H20 | H21 | 120.0° | 120.0° |