CKS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F36 | C33 | sing | 1.35Å | 1.35Å | |
C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
C31 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
C35 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
F37 | C28 | sing | 1.35Å | 1.35Å | |
C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
C24 | C23 | sing | 1.51Å | 1.51Å | |
C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
C25 | C23 | sing | 1.51Å | 1.49Å | |
C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
C23 | C22 | sing | 1.53Å | 1.53Å | |
C11 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C22 | C20 | sing | 1.51Å | 1.51Å | |
C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
O | S | doub | 1.42Å | 1.45Å | |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C6 | S | sing | 1.76Å | 1.79Å | |
C20 | N19 | sing | 1.35Å | 1.37Å | |
C20 | O21 | doub | 1.21Å | 1.22Å | |
S | O5 | doub | 1.42Å | 1.46Å | |
S | N3 | sing | 1.66Å | 1.74Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | N | sing | 1.47Å | 1.49Å | |
C2 | N3 | sing | 1.47Å | 1.50Å | |
C2 | C4 | sing | 1.53Å | 1.53Å | |
N19 | C14 | sing | 1.40Å | 1.42Å | |
C39 | C | sing | 1.53Å | 1.51Å | |
N3 | C38 | sing | 1.47Å | 1.49Å | |
C12 | C4 | sing | 1.53Å | 1.54Å | |
C12 | C13 | sing | 1.51Å | 1.51Å | |
N | C | sing | 1.47Å | 1.49Å | |
C | C38 | sing | 1.53Å | 1.51Å | |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | F | sing | 1.35Å | 1.34Å | |
C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C7 | H2 | sing | 1.08Å | 1.08Å | |
C9 | H3 | sing | 1.08Å | 1.08Å | |
C10 | H4 | sing | 1.08Å | 1.08Å | |
C11 | H5 | sing | 1.08Å | 1.08Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.08Å | 1.08Å | |
N19 | H9 | sing | 0.97Å | 1.00Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C22 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H12 | sing | 1.08Å | 1.08Å | |
C16 | H13 | sing | 1.08Å | 1.08Å | |
C26 | H14 | sing | 1.08Å | 1.08Å | |
C30 | H15 | sing | 1.08Å | 1.08Å | |
C31 | H16 | sing | 1.08Å | 1.08Å | |
C35 | H17 | sing | 1.08Å | 1.08Å | |
C17 | H18 | sing | 1.08Å | 1.08Å | |
C27 | H19 | sing | 1.08Å | 1.08Å | |
C29 | H20 | sing | 1.08Å | 1.08Å | |
C32 | H21 | sing | 1.08Å | 1.08Å | |
C34 | H22 | sing | 1.08Å | 1.08Å | |
C38 | H23 | sing | 1.09Å | 1.10Å | |
C38 | H24 | sing | 1.09Å | 1.10Å | |
C1 | H25 | sing | 1.09Å | 1.10Å | |
C1 | H26 | sing | 1.09Å | 1.10Å | |
C | H27 | sing | 1.09Å | 1.10Å | |
C39 | H28 | sing | 1.09Å | 1.10Å | |
C39 | H29 | sing | 1.09Å | 1.10Å | |
C39 | H30 | sing | 1.09Å | 1.10Å | |
C4 | H31 | sing | 1.09Å | 1.10Å | |
C4 | H32 | sing | 1.09Å | 1.10Å | |
C23 | H33 | sing | 1.09Å | 1.10Å | |
N | H34 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F36 | C33 | C32 | 118.4° | 120.0° |
F36 | C33 | C34 | 120.0° | 120.1° |
C32 | C33 | C34 | 121.6° | 119.9° |
C33 | C32 | C31 | 118.8° | 120.0° |
C33 | C32 | H21 | 120.6° | 120.0° |
C33 | C34 | C35 | 119.3° | 120.0° |
C33 | C34 | H22 | 120.4° | 119.9° |
C32 | C31 | C24 | 120.4° | 120.0° |
C32 | C31 | H16 | 119.8° | 120.0° |
C31 | C32 | H21 | 120.6° | 120.0° |
C34 | C35 | C24 | 120.0° | 120.1° |
C34 | C35 | H17 | 120.0° | 120.0° |
C35 | C34 | H22 | 120.4° | 120.1° |
C31 | C24 | C35 | 120.1° | 120.0° |
C31 | C24 | C23 | 121.5° | 119.9° |
C24 | C31 | H16 | 119.8° | 120.0° |
C35 | C24 | C23 | 118.4° | 120.0° |
C24 | C35 | H17 | 120.0° | 120.0° |
F37 | C28 | C27 | 119.5° | 120.0° |
F37 | C28 | C29 | 119.1° | 120.0° |
C28 | C27 | C26 | 118.5° | 120.0° |
C27 | C28 | C29 | 121.4° | 120.0° |
C28 | C27 | H19 | 120.8° | 120.0° |
C27 | C26 | C25 | 120.9° | 120.0° |
C27 | C26 | H14 | 119.6° | 120.0° |
C26 | C27 | H19 | 120.7° | 120.0° |
C24 | C23 | C25 | 106.3° | 109.5° |
C24 | C23 | C22 | 114.8° | 109.5° |
C24 | C23 | H33 | 107.4° | 109.5° |
C28 | C29 | C30 | 119.9° | 119.9° |
C28 | C29 | H20 | 120.1° | 120.0° |
C26 | C25 | C30 | 119.8° | 120.0° |
C26 | C25 | C23 | 122.2° | 120.0° |
C25 | C26 | H14 | 119.5° | 120.0° |
C29 | C30 | C25 | 119.6° | 120.1° |
C29 | C30 | H15 | 120.2° | 119.9° |
C30 | C29 | H20 | 120.1° | 120.1° |
C9 | C10 | C11 | 120.1° | 120.0° |
C10 | C9 | C8 | 120.4° | 120.0° |
C10 | C9 | H3 | 119.8° | 119.9° |
C9 | C10 | H4 | 120.0° | 120.1° |
C10 | C11 | C6 | 119.1° | 120.0° |
C11 | C10 | H4 | 119.9° | 120.0° |
C10 | C11 | H5 | 120.5° | 120.0° |
C30 | C25 | C23 | 118.0° | 120.0° |
C25 | C30 | H15 | 120.2° | 120.0° |
C25 | C23 | C22 | 113.2° | 109.5° |
C25 | C23 | H33 | 107.7° | 109.5° |
C9 | C8 | C7 | 119.9° | 120.0° |
C8 | C9 | H3 | 119.8° | 120.0° |
C9 | C8 | H12 | 120.0° | 120.0° |
C23 | C22 | C20 | 110.9° | 109.5° |
C23 | C22 | H10 | 109.1° | 109.5° |
C23 | C22 | H11 | 109.1° | 109.5° |
C22 | C23 | H33 | 107.2° | 109.5° |
C11 | C6 | C7 | 121.3° | 120.0° |
C11 | C6 | S | 119.9° | 120.0° |
C6 | C11 | H5 | 120.5° | 120.0° |
C22 | C20 | N19 | 112.7° | 120.0° |
C22 | C20 | O21 | 122.6° | 120.0° |
C20 | C22 | H10 | 109.1° | 109.4° |
C20 | C22 | H11 | 109.1° | 109.5° |
C8 | C7 | C6 | 119.2° | 120.0° |
C8 | C7 | H2 | 120.4° | 120.0° |
C7 | C8 | H12 | 120.0° | 120.0° |
O | S | C6 | 106.2° | 106.4° |
O | S | O5 | 120.1° | 123.2° |
O | S | N3 | 108.0° | 106.4° |
C7 | C6 | S | 118.8° | 120.0° |
C6 | C7 | H2 | 120.4° | 120.0° |
C6 | S | O5 | 103.4° | 106.4° |
C6 | S | N3 | 112.9° | 107.2° |
N19 | C20 | O21 | 124.7° | 120.0° |
C20 | N19 | C14 | 121.2° | 120.0° |
C20 | N19 | H9 | 119.4° | 120.0° |
O5 | S | N3 | 106.4° | 106.4° |
S | N3 | C2 | 113.9° | 120.9° |
S | N3 | C38 | 110.1° | 120.9° |
C2 | C1 | N | 109.6° | 109.3° |
C1 | C2 | N3 | 114.5° | 108.5° |
C1 | C2 | C4 | 109.4° | 109.6° |
C1 | C2 | H1 | 107.8° | 109.8° |
C2 | C1 | H25 | 109.5° | 109.5° |
C2 | C1 | H26 | 109.4° | 109.5° |
C1 | N | C | 117.8° | 111.3° |
N | C1 | H25 | 109.5° | 109.5° |
N | C1 | H26 | 109.5° | 109.5° |
C1 | N | H34 | 107.4° | 111.0° |
N3 | C2 | C4 | 109.4° | 109.6° |
C2 | N3 | C38 | 121.5° | 118.2° |
N3 | C2 | H1 | 107.9° | 109.6° |
C2 | C4 | C12 | 111.5° | 109.4° |
C4 | C2 | H1 | 107.6° | 109.7° |
C2 | C4 | H31 | 109.0° | 109.5° |
C2 | C4 | H32 | 109.0° | 109.5° |
N19 | C14 | C13 | 122.3° | 120.0° |
N19 | C14 | C15 | 116.9° | 120.1° |
C14 | N19 | H9 | 119.4° | 120.0° |
C39 | C | N | 111.8° | 109.5° |
C39 | C | C38 | 109.7° | 109.5° |
C39 | C | H27 | 108.1° | 109.5° |
C | C39 | H28 | 109.5° | 109.4° |
C | C39 | H29 | 109.5° | 109.5° |
C | C39 | H30 | 109.5° | 109.5° |
N3 | C38 | C | 117.8° | 108.5° |
N3 | C38 | H23 | 107.3° | 109.7° |
N3 | C38 | H24 | 107.3° | 109.8° |
C4 | C12 | C13 | 112.5° | 109.4° |
C4 | C12 | H6 | 108.7° | 109.5° |
C4 | C12 | H7 | 108.7° | 109.5° |
C12 | C4 | H31 | 108.9° | 109.4° |
C12 | C4 | H32 | 108.9° | 109.5° |
C12 | C13 | C14 | 122.3° | 120.0° |
C12 | C13 | C18 | 120.4° | 120.1° |
C13 | C12 | H6 | 108.7° | 109.5° |
C13 | C12 | H7 | 108.7° | 109.5° |
N | C | C38 | 110.8° | 109.3° |
N | C | H27 | 108.3° | 109.5° |
C | N | H34 | 107.4° | 111.0° |
C | C38 | H23 | 107.3° | 109.6° |
C | C38 | H24 | 107.3° | 109.6° |
C38 | C | H27 | 108.1° | 109.5° |
C13 | C14 | C15 | 120.8° | 119.9° |
C14 | C13 | C18 | 117.4° | 119.9° |
C14 | C15 | C16 | 120.9° | 119.9° |
C14 | C15 | H8 | 119.6° | 120.0° |
C13 | C18 | F | 120.5° | 120.0° |
C13 | C18 | C17 | 121.9° | 120.1° |
C15 | C16 | C17 | 118.9° | 120.1° |
C16 | C15 | H8 | 119.6° | 120.0° |
C15 | C16 | H13 | 120.6° | 119.9° |
F | C18 | C17 | 117.5° | 120.0° |
C18 | C17 | C16 | 120.2° | 120.1° |
C18 | C17 | H18 | 119.9° | 119.9° |
C17 | C16 | H13 | 120.5° | 120.0° |
C16 | C17 | H18 | 119.9° | 120.0° |
H6 | C12 | H7 | 109.5° | 109.5° |
H10 | C22 | H11 | 109.4° | 109.5° |
H23 | C38 | H24 | 109.5° | 109.6° |
H25 | C1 | H26 | 109.4° | 109.5° |
H28 | C39 | H29 | 109.5° | 109.5° |
H28 | C39 | H30 | 109.5° | 109.4° |
H29 | C39 | H30 | 109.4° | 109.5° |
H31 | C4 | H32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F36 | C33 | C32 | C34 | 179.8° | 179.9° |
F36 | C33 | C32 | C31 | 180.0° | 180.0° |
F36 | C33 | C34 | C35 | 179.8° | 179.7° |
F36 | C33 | C32 | H21 | 0.0° | 0.0° |
F36 | C33 | C34 | H22 | 0.2° | 0.3° |
C33 | C32 | C31 | H21 | 180.0° | 180.0° |
C32 | C33 | C34 | C35 | 0.0° | 0.3° |
C33 | C32 | C31 | C24 | 0.9° | 0.1° |
C33 | C32 | C31 | H16 | 179.1° | 179.7° |
C32 | C33 | C34 | H22 | 180.0° | 179.8° |
C34 | C33 | C32 | C31 | 0.2° | 0.1° |
C33 | C34 | C35 | H22 | 180.0° | 179.5° |
C33 | C34 | C35 | C24 | 0.3° | 0.5° |
C33 | C34 | C35 | H17 | 179.7° | 180.0° |
C34 | C33 | C32 | H21 | 179.8° | 179.9° |
C32 | C31 | C24 | H16 | 180.0° | 179.7° |
C32 | C31 | C24 | C35 | 1.2° | 0.3° |
C32 | C31 | C24 | C23 | 178.9° | 179.7° |
C34 | C35 | C24 | C31 | 1.0° | 0.5° |
C34 | C35 | C24 | H17 | 180.0° | 179.5° |
C34 | C35 | C24 | C23 | 178.7° | 179.5° |
C31 | C24 | C35 | C23 | 177.8° | 180.0° |
C31 | C24 | C23 | C25 | 76.1° | 114.4° |
C31 | C24 | C23 | C22 | 49.8° | 125.7° |
C31 | C24 | C35 | H17 | 179.0° | 180.0° |
C24 | C31 | C32 | H21 | 179.1° | 180.0° |
C31 | C24 | C23 | H33 | 168.9° | 5.7° |
C35 | C24 | C23 | C25 | 101.6° | 65.7° |
C35 | C24 | C23 | C22 | 132.5° | 54.3° |
C35 | C24 | C31 | H16 | 178.7° | 179.9° |
C24 | C35 | C34 | H22 | 179.7° | 180.0° |
C35 | C24 | C23 | H33 | 13.4° | 174.3° |
F37 | C28 | C27 | C29 | 179.9° | 180.0° |
F37 | C28 | C27 | C26 | 179.5° | 180.0° |
F37 | C28 | C29 | C30 | 180.0° | 179.7° |
F37 | C28 | C27 | H19 | 0.5° | 0.0° |
F37 | C28 | C29 | H20 | 0.1° | 0.3° |
C28 | C27 | C26 | H19 | 180.0° | 180.0° |
C28 | C27 | C26 | C25 | 0.6° | 0.0° |
C27 | C28 | C29 | C30 | 0.1° | 0.3° |
C28 | C27 | C26 | H14 | 179.4° | 179.7° |
C27 | C28 | C29 | H20 | 179.9° | 179.7° |
C26 | C27 | C28 | C29 | 0.4° | 0.0° |
C27 | C26 | C25 | H14 | 180.0° | 179.7° |
C27 | C26 | C25 | C30 | 0.3° | 0.3° |
C27 | C26 | C25 | C23 | 177.7° | 179.8° |
C24 | C23 | C25 | C26 | 76.5° | 110.7° |
C24 | C23 | C25 | C30 | 101.5° | 69.2° |
C24 | C23 | C25 | C22 | 126.9° | 120.0° |
C24 | C23 | C25 | H33 | 114.9° | 120.0° |
C24 | C23 | C22 | H33 | 119.2° | 120.0° |
C24 | C23 | C22 | C20 | 155.9° | 175.0° |
C24 | C23 | C22 | H10 | 35.7° | 65.0° |
C24 | C23 | C22 | H11 | 83.8° | 55.0° |
C23 | C24 | C31 | H16 | 1.0° | 0.1° |
C23 | C24 | C35 | H17 | 1.3° | 0.0° |
C28 | C29 | C30 | H20 | 180.0° | 180.0° |
C28 | C29 | C30 | C25 | 0.4° | 0.6° |
C28 | C29 | C30 | H15 | 179.6° | 180.0° |
C29 | C28 | C27 | H19 | 179.6° | 180.0° |
C26 | C25 | C30 | C29 | 0.3° | 0.5° |
C26 | C25 | C30 | C23 | 178.0° | 180.0° |
C26 | C25 | C23 | C22 | 50.4° | 129.3° |
C26 | C25 | C30 | H15 | 179.8° | 180.0° |
C25 | C26 | C27 | H19 | 179.4° | 180.0° |
C26 | C25 | C23 | H33 | 168.7° | 9.3° |
C29 | C30 | C25 | H15 | 180.0° | 179.4° |
C29 | C30 | C25 | C23 | 178.3° | 179.5° |
C9 | C10 | C11 | H4 | 180.0° | 179.7° |
C10 | C9 | C8 | H3 | 180.0° | 180.0° |
C9 | C10 | C11 | C6 | 0.2° | 0.3° |
C10 | C9 | C8 | C7 | 0.3° | 0.0° |
C9 | C10 | C11 | H5 | 179.8° | 180.0° |
C10 | C9 | C8 | H12 | 179.8° | 179.9° |
C11 | C10 | C9 | C8 | 0.3° | 0.3° |
C10 | C11 | C6 | H5 | 180.0° | 179.7° |
C10 | C11 | C6 | C7 | 0.7° | 0.0° |
C10 | C11 | C6 | S | 179.9° | 180.0° |
C11 | C10 | C9 | H3 | 179.7° | 179.7° |
C30 | C25 | C23 | C22 | 131.6° | 50.8° |
C30 | C25 | C26 | H14 | 179.7° | 180.0° |
C25 | C30 | C29 | H20 | 179.5° | 179.4° |
C30 | C25 | C23 | H33 | 13.3° | 170.7° |
C25 | C23 | C22 | H33 | 118.5° | 120.0° |
C25 | C23 | C22 | C20 | 81.9° | 65.0° |
C25 | C23 | C22 | H10 | 157.9° | 55.0° |
C25 | C23 | C22 | H11 | 38.4° | 175.0° |
C23 | C25 | C26 | H14 | 2.3° | 0.1° |
C23 | C25 | C30 | H15 | 1.7° | 0.1° |
C9 | C8 | C7 | H12 | 180.0° | 179.9° |
C9 | C8 | C7 | C6 | 0.2° | 0.3° |
C9 | C8 | C7 | H2 | 179.8° | 180.0° |
C8 | C9 | C10 | H4 | 179.7° | 180.0° |
C23 | C22 | C20 | H10 | 120.2° | 120.0° |
C23 | C22 | C20 | H11 | 120.2° | 120.0° |
C23 | C22 | C20 | N19 | 116.0° | 180.0° |
C23 | C22 | C20 | O21 | 65.7° | 0.0° |
C23 | C22 | H10 | H11 | 119.3° | 120.0° |
C11 | C6 | C7 | C8 | 0.7° | 0.3° |
C11 | C6 | S | O | 40.5° | 163.5° |
C11 | C6 | C7 | S | 179.4° | 180.0° |
C11 | C6 | S | O5 | 167.8° | 30.5° |
C11 | C6 | S | N3 | 77.7° | 83.0° |
C11 | C6 | C7 | H2 | 179.3° | 180.0° |
C6 | C11 | C10 | H4 | 179.8° | 180.0° |
C22 | C20 | N19 | O21 | 178.3° | 180.0° |
C22 | C20 | N19 | C14 | 176.6° | 173.5° |
C22 | C20 | N19 | H9 | 3.4° | 6.5° |
C20 | C22 | H10 | H11 | 119.4° | 120.0° |
C20 | C22 | C23 | H33 | 36.7° | 55.0° |
C8 | C7 | C6 | H2 | 180.0° | 179.7° |
C8 | C7 | C6 | S | 179.9° | 179.7° |
C7 | C8 | C9 | H3 | 179.7° | 180.0° |
O | S | C6 | C7 | 138.9° | 16.5° |
O | S | C6 | O5 | 127.3° | 133.0° |
O | S | C6 | N3 | 118.2° | 113.5° |
O | S | O5 | N3 | 122.9° | 122.9° |
O | S | N3 | C2 | 27.0° | 34.9° |
O | S | N3 | C38 | 167.4° | 145.1° |
C7 | C6 | S | O5 | 11.6° | 149.5° |
C7 | C6 | S | N3 | 102.9° | 97.0° |
C7 | C6 | C11 | H5 | 179.3° | 179.7° |
C6 | C7 | C8 | H12 | 179.8° | 179.6° |
C6 | S | O5 | N3 | 119.1° | 114.1° |
C6 | S | N3 | C2 | 90.1° | 78.7° |
C6 | S | N3 | C38 | 50.3° | 101.3° |
S | C6 | C7 | H2 | 0.1° | 0.0° |
S | C6 | C11 | H5 | 0.1° | 0.3° |
C20 | N19 | C14 | H9 | 180.0° | 180.0° |
C20 | N19 | C14 | C13 | 112.7° | 158.7° |
C20 | N19 | C14 | C15 | 67.2° | 21.3° |
N19 | C20 | C22 | H10 | 123.8° | 60.0° |
N19 | C20 | C22 | H11 | 4.3° | 60.0° |
O21 | C20 | N19 | C14 | 1.7° | 6.5° |
O21 | C20 | N19 | H9 | 178.4° | 173.5° |
O21 | C20 | C22 | H10 | 54.5° | 120.0° |
O21 | C20 | C22 | H11 | 174.0° | 120.0° |
O5 | S | N3 | C2 | 157.2° | 167.8° |
O5 | S | N3 | C38 | 62.4° | 12.2° |
S | N3 | C2 | C1 | 110.3° | 128.8° |
S | N3 | C2 | C38 | 135.4° | 180.0° |
S | N3 | C2 | C4 | 126.5° | 9.1° |
S | N3 | C38 | C | 118.1° | 128.8° |
S | N3 | C2 | H1 | 9.7° | 111.3° |
S | N3 | C38 | H23 | 120.7° | 111.5° |
S | N3 | C38 | H24 | 3.0° | 9.0° |
C2 | C1 | N | H25 | 120.0° | 120.0° |
C2 | C1 | N | H26 | 120.0° | 119.9° |
C1 | C2 | N3 | C4 | 123.2° | 119.7° |
C1 | C2 | N3 | H1 | 120.0° | 119.9° |
C1 | C2 | C4 | H1 | 116.8° | 120.6° |
C1 | C2 | N3 | C38 | 25.0° | 51.2° |
C1 | C2 | C4 | C12 | 161.8° | 68.6° |
C2 | C1 | N | C | 58.5° | 63.1° |
C2 | C1 | H25 | H26 | 119.9° | 120.1° |
C1 | C2 | C4 | H31 | 77.9° | 171.4° |
C1 | C2 | C4 | H32 | 41.5° | 51.4° |
C2 | C1 | N | H34 | 179.7° | 61.0° |
N | C1 | C2 | N3 | 41.7° | 53.9° |
N | C1 | C2 | C4 | 81.5° | 173.5° |
C1 | N | C | C39 | 71.1° | 176.9° |
C1 | N | C | H34 | 121.2° | 124.2° |
C1 | N | C | C38 | 51.6° | 63.1° |
N | C1 | C2 | H1 | 161.8° | 65.9° |
N | C1 | H25 | H26 | 120.0° | 120.0° |
C1 | N | C | H27 | 170.0° | 56.9° |
N3 | C2 | C4 | H1 | 117.0° | 120.4° |
N3 | C2 | C4 | C12 | 72.0° | 172.4° |
C2 | N3 | C38 | C | 18.7° | 51.2° |
C2 | N3 | C38 | H23 | 102.5° | 68.5° |
C2 | N3 | C38 | H24 | 139.9° | 171.0° |
N3 | C2 | C1 | H25 | 78.3° | 173.8° |
N3 | C2 | C1 | H26 | 161.8° | 66.1° |
N3 | C2 | C4 | H31 | 48.3° | 52.4° |
N3 | C2 | C4 | H32 | 167.7° | 67.6° |
C4 | C2 | N3 | C38 | 98.2° | 170.9° |
C2 | C4 | C12 | H31 | 120.3° | 120.0° |
C2 | C4 | C12 | H32 | 120.3° | 120.0° |
C2 | C4 | C12 | C13 | 172.2° | 174.7° |
C2 | C4 | C12 | H6 | 67.4° | 65.3° |
C2 | C4 | C12 | H7 | 51.7° | 54.7° |
C4 | C2 | C1 | H25 | 158.4° | 66.5° |
C4 | C2 | C1 | H26 | 38.5° | 53.6° |
C2 | C4 | H31 | H32 | 119.1° | 120.1° |
N19 | C14 | C13 | C12 | 0.0° | 0.0° |
N19 | C14 | C13 | C15 | 179.9° | 180.0° |
N19 | C14 | C13 | C18 | 180.0° | 179.7° |
N19 | C14 | C15 | C16 | 179.3° | 180.0° |
N19 | C14 | C15 | H8 | 0.7° | 0.3° |
C39 | C | C38 | N3 | 94.7° | 173.9° |
C39 | C | N | C38 | 122.7° | 120.1° |
C39 | C | N | H27 | 119.0° | 120.0° |
C39 | C | C38 | H27 | 117.6° | 120.0° |
C39 | C | C38 | H23 | 144.2° | 54.1° |
C39 | C | C38 | H24 | 26.5° | 66.2° |
C | C39 | H28 | H29 | 120.0° | 120.0° |
C | C39 | H28 | H30 | 120.0° | 120.0° |
C | C39 | H29 | H30 | 120.0° | 120.1° |
C39 | C | N | H34 | 50.1° | 59.0° |
N3 | C38 | C | N | 29.3° | 53.8° |
N3 | C38 | C | H23 | 121.2° | 119.8° |
N3 | C38 | C | H24 | 121.2° | 119.9° |
C38 | N3 | C2 | H1 | 145.1° | 68.7° |
N3 | C38 | H23 | H24 | 116.2° | 120.6° |
N3 | C38 | C | H27 | 147.7° | 66.1° |
C4 | C12 | C13 | H6 | 120.5° | 120.0° |
C4 | C12 | C13 | H7 | 120.4° | 120.0° |
C4 | C12 | C13 | C14 | 104.2° | 96.1° |
C4 | C12 | C13 | C18 | 75.8° | 84.2° |
C12 | C4 | C2 | H1 | 45.0° | 52.0° |
C4 | C12 | H6 | H7 | 118.6° | 120.0° |
C12 | C4 | H31 | H32 | 119.0° | 120.0° |
C12 | C13 | C14 | C18 | 180.0° | 179.7° |
C12 | C13 | C14 | C15 | 179.8° | 180.0° |
C12 | C13 | C18 | F | 0.2° | 0.1° |
C12 | C13 | C18 | C17 | 179.3° | 180.0° |
C13 | C12 | H6 | H7 | 118.6° | 120.0° |
C13 | C12 | C4 | H31 | 51.9° | 65.3° |
C13 | C12 | C4 | H32 | 67.5° | 54.7° |
N | C | C38 | H27 | 118.5° | 119.9° |
N | C | C38 | H23 | 91.9° | 66.0° |
N | C | C38 | H24 | 150.4° | 173.7° |
C | N | C1 | H25 | 61.6° | 176.9° |
C | N | C1 | H26 | 178.5° | 56.9° |
N | C | C39 | H28 | 180.0° | 59.9° |
N | C | C39 | H29 | 60.0° | 60.1° |
N | C | C39 | H30 | 60.0° | 179.9° |
C | C38 | H23 | H24 | 116.2° | 120.3° |
C38 | C | C39 | H28 | 56.7° | 60.0° |
C38 | C | C39 | H29 | 63.3° | 180.0° |
C38 | C | C39 | H30 | 176.7° | 59.9° |
C38 | C | N | H34 | 172.8° | 61.1° |
C13 | C14 | C15 | C16 | 0.6° | 0.0° |
C14 | C13 | C18 | F | 179.8° | 179.7° |
C14 | C13 | C18 | C17 | 0.7° | 0.3° |
C14 | C13 | C12 | H6 | 16.3° | 23.9° |
C14 | C13 | C12 | H7 | 135.4° | 143.9° |
C13 | C14 | C15 | H8 | 179.4° | 179.7° |
C13 | C14 | N19 | H9 | 67.4° | 21.3° |
C15 | C14 | C13 | C18 | 0.1° | 0.3° |
C14 | C15 | C16 | H8 | 180.0° | 179.7° |
C14 | C15 | C16 | C17 | 0.9° | 0.3° |
C15 | C14 | N19 | H9 | 112.8° | 158.7° |
C14 | C15 | C16 | H13 | 179.1° | 179.7° |
C13 | C18 | F | C17 | 179.2° | 179.9° |
C13 | C18 | C17 | C16 | 0.4° | 0.1° |
C18 | C13 | C12 | H6 | 163.7° | 155.8° |
C18 | C13 | C12 | H7 | 44.7° | 35.8° |
C13 | C18 | C17 | H18 | 179.6° | 180.0° |
C15 | C16 | C17 | C18 | 0.4° | 0.2° |
C15 | C16 | C17 | H13 | 180.0° | 180.0° |
C15 | C16 | C17 | H18 | 179.6° | 179.7° |
F | C18 | C17 | C16 | 179.6° | 180.0° |
F | C18 | C17 | H18 | 0.4° | 0.1° |
C18 | C17 | C16 | H18 | 180.0° | 180.0° |
C18 | C17 | C16 | H13 | 179.6° | 179.8° |
C17 | C16 | C15 | H8 | 179.1° | 180.0° |
H1 | C2 | C1 | H25 | 41.8° | 54.0° |
H1 | C2 | C1 | H26 | 78.1° | 174.1° |
H1 | C2 | C4 | H31 | 165.3° | 67.9° |
H1 | C2 | C4 | H32 | 75.3° | 172.0° |
H2 | C7 | C8 | H12 | 0.2° | 0.0° |
H3 | C9 | C10 | H4 | 0.3° | 0.0° |
H3 | C9 | C8 | H12 | 0.2° | 0.1° |
H4 | C10 | C11 | H5 | 0.2° | 0.3° |
H6 | C12 | C4 | H31 | 172.3° | 54.7° |
H6 | C12 | C4 | H32 | 53.0° | 174.7° |
H7 | C12 | C4 | H31 | 68.6° | 174.7° |
H7 | C12 | C4 | H32 | 172.0° | 65.3° |
H8 | C15 | C16 | H13 | 0.9° | 0.0° |
H10 | C22 | C23 | H33 | 83.5° | 175.0° |
H11 | C22 | C23 | H33 | 156.9° | 65.0° |
H13 | C16 | C17 | H18 | 0.4° | 0.3° |
H14 | C26 | C27 | H19 | 0.6° | 0.3° |
H15 | C30 | C29 | H20 | 0.5° | 0.0° |
H16 | C31 | C32 | H21 | 0.9° | 0.3° |
H17 | C35 | C34 | H22 | 0.3° | 0.5° |
H23 | C38 | C | H27 | 26.6° | 174.1° |
H24 | C38 | C | H27 | 91.1° | 53.8° |
H25 | C1 | N | H34 | 59.6° | 59.0° |
H26 | C1 | N | H34 | 60.3° | 179.0° |
H27 | C | C39 | H28 | 60.9° | 180.0° |
H27 | C | C39 | H29 | 179.1° | 60.0° |
H27 | C | C39 | H30 | 59.1° | 60.1° |
H27 | C | N | H34 | 68.8° | 179.0° |
H28 | C39 | H29 | H30 | 120.0° | 119.9° |