2U6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| CL2 | C14 | sing | 1.74Å | 1.73Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N1 | sing | 1.46Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C5 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.54Å | |
| O2 | C4 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.34Å | 1.41Å | |
| N1 | C1 | sing | 1.46Å | 1.49Å | |
| C19 | S1 | sing | 1.81Å | 1.82Å | |
| C4 | C3 | sing | 1.50Å | 1.53Å | |
| C22 | C3 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| C3 | C23 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | C6 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | S1 | doub | 1.42Å | 1.50Å | |
| CL1 | C10 | sing | 1.74Å | 1.74Å | |
| S1 | O6 | doub | 1.42Å | 1.50Å | |
| S1 | C30 | sing | 1.81Å | 1.83Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| N2 | C28 | doub | 1.32Å | 1.33Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.48Å | 1.53Å | |
| C30 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | O3 | doub | 1.21Å | 1.25Å | |
| C29 | O4 | sing | 1.35Å | 1.25Å | |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.08Å | 1.08Å | |
| C13 | H34 | sing | 1.08Å | 1.08Å | |
| C15 | H35 | sing | 1.08Å | 1.08Å | |
| C16 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C18 | 59.5° | 60.0° |
| C21 | C20 | C18 | 59.8° | 60.0° |
| C21 | C20 | H17 | 120.0° | 117.5° |
| C21 | C20 | H18 | 120.0° | 117.5° |
| C20 | C21 | H19 | 120.1° | 117.5° |
| C20 | C21 | H20 | 120.1° | 117.5° |
| C21 | C18 | C20 | 60.7° | 60.1° |
| C21 | C18 | C17 | 117.2° | 117.5° |
| C21 | C18 | H16 | 117.5° | 117.5° |
| C18 | C21 | H19 | 120.1° | 117.5° |
| C18 | C21 | H20 | 120.1° | 117.5° |
| C20 | C18 | C17 | 114.1° | 117.5° |
| C20 | C18 | H16 | 117.6° | 117.5° |
| C18 | C20 | H17 | 120.0° | 117.5° |
| C18 | C20 | H18 | 120.1° | 117.5° |
| CL2 | C14 | C13 | 119.5° | 120.0° |
| CL2 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | C12 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C14 | C13 | H34 | 120.2° | 120.0° |
| C13 | C12 | C5 | 120.3° | 120.0° |
| C13 | C12 | H33 | 119.9° | 120.0° |
| C12 | C13 | H34 | 120.2° | 120.0° |
| C18 | C17 | N1 | 118.1° | 109.5° |
| C18 | C17 | C19 | 109.4° | 109.4° |
| C18 | C17 | H15 | 105.6° | 109.5° |
| C17 | C18 | H16 | 117.4° | 115.5° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H35 | 120.0° | 120.0° |
| C12 | C5 | C16 | 120.0° | 120.0° |
| C12 | C5 | C1 | 118.8° | 120.0° |
| C5 | C12 | H33 | 119.8° | 120.0° |
| C15 | C16 | C5 | 119.8° | 120.0° |
| C16 | C15 | H35 | 120.0° | 120.0° |
| C15 | C16 | H36 | 120.1° | 120.0° |
| N1 | C17 | C19 | 111.3° | 109.5° |
| C17 | N1 | C4 | 118.7° | 118.7° |
| C17 | N1 | C1 | 122.2° | 118.7° |
| N1 | C17 | H15 | 106.0° | 109.5° |
| C17 | C19 | S1 | 113.5° | 109.5° |
| C19 | C17 | H15 | 105.5° | 109.4° |
| C17 | C19 | H21 | 108.5° | 109.5° |
| C17 | C19 | H22 | 108.5° | 109.5° |
| C16 | C5 | C1 | 121.2° | 120.0° |
| C5 | C16 | H36 | 120.1° | 120.0° |
| C5 | C1 | N1 | 114.3° | 109.4° |
| C5 | C1 | C2 | 109.7° | 109.4° |
| C5 | C1 | H32 | 105.9° | 109.3° |
| O2 | C4 | N1 | 121.0° | 118.8° |
| O2 | C4 | C3 | 117.5° | 118.8° |
| C4 | N1 | C1 | 118.6° | 122.5° |
| N1 | C4 | C3 | 121.5° | 122.4° |
| N1 | C1 | C2 | 113.9° | 110.0° |
| N1 | C1 | H32 | 106.6° | 109.4° |
| C19 | S1 | O5 | 109.0° | 108.6° |
| C19 | S1 | O6 | 110.0° | 108.6° |
| C19 | S1 | C30 | 110.5° | 101.9° |
| S1 | C19 | H21 | 108.4° | 109.5° |
| S1 | C19 | H22 | 108.5° | 109.5° |
| C4 | C3 | C22 | 111.8° | 109.4° |
| C4 | C3 | O1 | 113.0° | 109.8° |
| C4 | C3 | C23 | 102.3° | 109.4° |
| C3 | C22 | C24 | 117.6° | 109.5° |
| C22 | C3 | O1 | 117.8° | 109.4° |
| C22 | C3 | C23 | 107.3° | 109.4° |
| C3 | C22 | H6 | 107.4° | 109.4° |
| C3 | C22 | H7 | 107.4° | 109.5° |
| C22 | C24 | C25 | 117.0° | 119.5° |
| C22 | C24 | N2 | 123.0° | 119.5° |
| C24 | C22 | H6 | 107.4° | 109.5° |
| C24 | C22 | H7 | 107.4° | 109.5° |
| C1 | C2 | O1 | 109.5° | 108.6° |
| C1 | C2 | C6 | 106.7° | 109.6° |
| C1 | C2 | H5 | 109.0° | 109.8° |
| C2 | C1 | H32 | 105.8° | 109.3° |
| O1 | C3 | C23 | 102.8° | 109.4° |
| C3 | O1 | C2 | 111.3° | 113.0° |
| C3 | C23 | H12 | 109.5° | 109.5° |
| C3 | C23 | H13 | 109.4° | 109.5° |
| C3 | C23 | H14 | 109.5° | 109.5° |
| O1 | C2 | C6 | 111.8° | 109.6° |
| O1 | C2 | H5 | 110.6° | 109.6° |
| C2 | C6 | C11 | 120.9° | 120.0° |
| C2 | C6 | C7 | 120.2° | 120.0° |
| C6 | C2 | H5 | 109.1° | 109.6° |
| C25 | C24 | N2 | 120.0° | 121.0° |
| C24 | C25 | C26 | 120.2° | 119.3° |
| C24 | C25 | H8 | 119.9° | 120.3° |
| C24 | N2 | C28 | 121.0° | 121.9° |
| C25 | C26 | C27 | 118.2° | 118.3° |
| C26 | C25 | H8 | 119.9° | 120.4° |
| C25 | C26 | H9 | 120.9° | 120.9° |
| C6 | C11 | C10 | 120.2° | 120.0° |
| C11 | C6 | C7 | 118.9° | 120.0° |
| C6 | C11 | H1 | 119.9° | 120.0° |
| C11 | C10 | CL1 | 119.7° | 120.0° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C10 | C11 | H1 | 119.9° | 120.0° |
| O5 | S1 | O6 | 109.3° | 119.2° |
| O5 | S1 | C30 | 110.0° | 108.6° |
| CL1 | C10 | C9 | 119.8° | 120.0° |
| O6 | S1 | C30 | 108.0° | 108.6° |
| S1 | C30 | C31 | 109.5° | 109.5° |
| S1 | C30 | C33 | 109.6° | 109.4° |
| S1 | C30 | C32 | 108.1° | 109.4° |
| C31 | C30 | C33 | 110.3° | 109.5° |
| C31 | C30 | C32 | 109.1° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.4° | 109.5° |
| N2 | C28 | C27 | 121.0° | 120.6° |
| N2 | C28 | H11 | 119.5° | 119.7° |
| C26 | C27 | C28 | 119.6° | 118.9° |
| C26 | C27 | C29 | 119.0° | 120.6° |
| C27 | C26 | H9 | 120.9° | 120.8° |
| C6 | C7 | C8 | 121.2° | 120.1° |
| C6 | C7 | H4 | 119.4° | 119.9° |
| C10 | C9 | C8 | 119.6° | 119.9° |
| C10 | C9 | H2 | 120.2° | 120.0° |
| C28 | C27 | C29 | 121.4° | 120.6° |
| C27 | C28 | H11 | 119.5° | 119.7° |
| C27 | C29 | O3 | 117.3° | 120.0° |
| C27 | C29 | O4 | 117.9° | 120.0° |
| C33 | C30 | C32 | 110.2° | 109.5° |
| C30 | C33 | H26 | 109.5° | 109.5° |
| C30 | C33 | H27 | 109.5° | 109.4° |
| C30 | C33 | H28 | 109.5° | 109.5° |
| C30 | C32 | H23 | 109.5° | 109.5° |
| C30 | C32 | H24 | 109.5° | 109.4° |
| C30 | C32 | H25 | 109.4° | 109.5° |
| C7 | C8 | C9 | 119.6° | 120.0° |
| C7 | C8 | H3 | 120.2° | 120.0° |
| C8 | C7 | H4 | 119.4° | 120.0° |
| O3 | C29 | O4 | 124.7° | 120.0° |
| C29 | O4 | H10 | 109.5° | 117.0° |
| C8 | C9 | H2 | 120.2° | 120.0° |
| C9 | C8 | H3 | 120.2° | 119.9° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 115.6° |
| H19 | C21 | H20 | 109.5° | 115.6° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H25 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.4° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.4° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H31 | 109.5° | 109.4° |
| H30 | C31 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C18 | H19 | 109.3° | 107.5° |
| C20 | C21 | C18 | H20 | 109.3° | 107.5° |
| C21 | C20 | C18 | H17 | 109.4° | 107.4° |
| C21 | C20 | C18 | H18 | 109.4° | 107.5° |
| C20 | C21 | C18 | C17 | 103.7° | 107.5° |
| C20 | C21 | C18 | H16 | 107.9° | 107.5° |
| C21 | C20 | H17 | H18 | 144.8° | 145.7° |
| C20 | C21 | H19 | H20 | 145.0° | 145.7° |
| C21 | C18 | C17 | H16 | 148.5° | 145.7° |
| C21 | C18 | C17 | N1 | 64.7° | 111.3° |
| C21 | C18 | C17 | C19 | 166.7° | 128.8° |
| C21 | C18 | C17 | H15 | 53.6° | 8.8° |
| C18 | C21 | H19 | H20 | 145.0° | 145.7° |
| C20 | C18 | C17 | H16 | 143.5° | 145.6° |
| C20 | C18 | C17 | N1 | 132.7° | 180.0° |
| C20 | C18 | C17 | C19 | 98.7° | 60.1° |
| C20 | C18 | C17 | H15 | 14.4° | 59.9° |
| C18 | C20 | H17 | H18 | 144.9° | 145.8° |
| CL2 | C14 | C13 | C15 | 179.8° | 180.0° |
| CL2 | C14 | C13 | C12 | 179.7° | 180.0° |
| CL2 | C14 | C15 | C16 | 179.8° | 180.0° |
| CL2 | C14 | C13 | H34 | 0.3° | 0.0° |
| CL2 | C14 | C15 | H35 | 0.2° | 0.0° |
| C14 | C13 | C12 | H34 | 180.0° | 179.9° |
| C14 | C13 | C12 | C5 | 0.8° | 0.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C13 | C12 | H33 | 179.1° | 180.0° |
| C13 | C14 | C15 | H35 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C12 | C5 | H33 | 180.0° | 180.0° |
| C13 | C12 | C5 | C16 | 1.1° | 0.0° |
| C13 | C12 | C5 | C1 | 179.1° | 179.7° |
| C18 | C17 | N1 | C19 | 127.7° | 120.0° |
| C18 | C17 | N1 | H15 | 118.0° | 120.0° |
| C18 | C17 | C19 | H15 | 113.2° | 120.0° |
| C18 | C17 | N1 | C4 | 67.8° | 60.0° |
| C18 | C17 | N1 | C1 | 120.3° | 120.0° |
| C18 | C17 | C19 | S1 | 166.0° | 175.0° |
| C17 | C18 | C20 | H17 | 0.6° | 145.1° |
| C17 | C18 | C20 | H18 | 141.7° | 0.0° |
| C17 | C18 | C21 | H19 | 147.0° | 0.0° |
| C17 | C18 | C21 | H20 | 5.6° | 145.0° |
| C18 | C17 | C19 | H21 | 45.4° | 55.0° |
| C18 | C17 | C19 | H22 | 73.4° | 65.0° |
| C14 | C15 | C16 | H35 | 180.0° | 180.0° |
| C14 | C15 | C16 | C5 | 0.7° | 0.0° |
| C15 | C14 | C13 | H34 | 179.5° | 180.0° |
| C14 | C15 | C16 | H36 | 179.3° | 179.7° |
| C12 | C5 | C16 | C15 | 1.1° | 0.0° |
| C12 | C5 | C16 | C1 | 177.9° | 179.7° |
| C12 | C5 | C1 | N1 | 72.9° | 39.7° |
| C12 | C5 | C1 | C2 | 56.4° | 80.8° |
| C12 | C5 | C1 | H32 | 170.1° | 159.5° |
| C5 | C12 | C13 | H34 | 179.2° | 180.0° |
| C12 | C5 | C16 | H36 | 179.0° | 179.7° |
| C15 | C16 | C5 | H36 | 180.0° | 179.7° |
| C15 | C16 | C5 | C1 | 178.9° | 179.7° |
| N1 | C17 | C19 | H15 | 114.5° | 120.0° |
| C17 | N1 | C1 | C5 | 46.2° | 41.5° |
| C17 | N1 | C4 | O2 | 6.4° | 1.9° |
| C17 | N1 | C4 | C1 | 172.2° | 180.0° |
| N1 | C17 | C19 | S1 | 61.7° | 65.0° |
| C17 | N1 | C4 | C3 | 172.3° | 178.2° |
| C17 | N1 | C1 | C2 | 173.4° | 161.6° |
| N1 | C17 | C18 | H16 | 83.8° | 34.4° |
| N1 | C17 | C19 | H21 | 177.7° | 175.0° |
| N1 | C17 | C19 | H22 | 58.9° | 55.0° |
| C17 | N1 | C1 | H32 | 70.4° | 78.3° |
| C19 | C17 | N1 | C4 | 59.9° | 60.0° |
| C19 | C17 | N1 | C1 | 112.0° | 120.0° |
| C17 | C19 | S1 | H21 | 120.6° | 120.0° |
| C17 | C19 | S1 | H22 | 120.6° | 120.0° |
| C17 | C19 | S1 | O5 | 59.6° | 65.5° |
| C17 | C19 | S1 | O6 | 60.2° | 65.5° |
| C17 | C19 | S1 | C30 | 179.4° | 180.0° |
| C19 | C17 | C18 | H16 | 44.8° | 85.6° |
| C17 | C19 | H21 | H22 | 118.2° | 120.0° |
| C16 | C5 | C1 | N1 | 109.2° | 140.0° |
| C16 | C5 | C1 | C2 | 121.5° | 99.5° |
| C16 | C5 | C1 | H32 | 7.8° | 20.2° |
| C16 | C5 | C12 | H33 | 178.9° | 180.0° |
| C5 | C16 | C15 | H35 | 179.3° | 180.0° |
| C5 | C1 | N1 | C4 | 141.9° | 138.5° |
| C5 | C1 | N1 | C2 | 127.2° | 120.2° |
| C5 | C1 | N1 | H32 | 116.6° | 119.8° |
| C5 | C1 | C2 | H32 | 113.8° | 119.7° |
| C5 | C1 | C2 | O1 | 176.4° | 169.3° |
| C5 | C1 | C2 | C6 | 62.4° | 70.9° |
| C5 | C1 | C2 | H5 | 55.3° | 49.5° |
| C1 | C5 | C12 | H33 | 0.9° | 0.3° |
| C1 | C5 | C16 | H36 | 1.1° | 0.0° |
| O2 | C4 | N1 | C3 | 178.7° | 179.9° |
| O2 | C4 | N1 | C1 | 178.6° | 178.1° |
| O2 | C4 | C3 | C22 | 62.9° | 75.9° |
| O2 | C4 | C3 | O1 | 161.4° | 164.0° |
| O2 | C4 | C3 | C23 | 51.6° | 44.0° |
| N1 | C4 | C3 | C22 | 118.4° | 104.2° |
| C4 | N1 | C1 | C2 | 14.7° | 18.3° |
| N1 | C4 | C3 | O1 | 17.3° | 15.8° |
| N1 | C4 | C3 | C23 | 127.1° | 135.9° |
| C4 | N1 | C17 | H15 | 174.1° | 180.0° |
| C4 | N1 | C1 | H32 | 101.5° | 101.8° |
| C1 | N1 | C4 | C3 | 0.1° | 1.8° |
| N1 | C1 | C2 | H32 | 116.7° | 120.1° |
| N1 | C1 | C2 | O1 | 46.9° | 49.2° |
| N1 | C1 | C2 | C6 | 168.1° | 168.9° |
| N1 | C1 | C2 | H5 | 74.2° | 70.7° |
| C1 | N1 | C17 | H15 | 2.2° | 0.0° |
| C19 | S1 | O5 | O6 | 120.2° | 125.0° |
| C19 | S1 | O5 | C30 | 121.4° | 110.1° |
| C19 | S1 | O6 | C30 | 120.7° | 110.1° |
| C19 | S1 | C30 | C31 | 57.0° | 180.0° |
| C19 | S1 | C30 | C33 | 64.0° | 60.0° |
| C19 | S1 | C30 | C32 | 175.8° | 60.0° |
| S1 | C19 | C17 | H15 | 52.9° | 55.0° |
| S1 | C19 | H21 | H22 | 118.2° | 120.0° |
| C4 | C3 | C22 | O1 | 133.4° | 120.3° |
| C4 | C3 | C22 | C23 | 111.4° | 119.9° |
| C4 | C3 | C22 | C24 | 162.0° | 174.7° |
| C4 | C3 | O1 | C23 | 109.5° | 120.1° |
| C4 | C3 | O1 | C2 | 50.9° | 49.6° |
| C4 | C3 | C22 | H6 | 40.9° | 54.7° |
| C4 | C3 | C22 | H7 | 76.8° | 65.3° |
| C4 | C3 | C23 | H12 | 180.0° | 60.4° |
| C4 | C3 | C23 | H13 | 60.0° | 59.7° |
| C4 | C3 | C23 | H14 | 60.0° | 179.6° |
| C3 | C22 | C24 | H6 | 121.2° | 119.9° |
| C3 | C22 | C24 | H7 | 121.2° | 120.0° |
| C22 | C3 | O1 | C23 | 117.6° | 119.9° |
| C22 | C3 | O1 | C2 | 82.1° | 70.4° |
| C3 | C22 | C24 | C25 | 107.0° | 125.0° |
| C3 | C22 | C24 | N2 | 75.1° | 55.3° |
| C3 | C22 | H6 | H7 | 116.3° | 120.0° |
| C22 | C3 | C23 | H12 | 62.2° | 179.8° |
| C22 | C3 | C23 | H13 | 177.8° | 60.2° |
| C22 | C3 | C23 | H14 | 57.8° | 59.8° |
| C24 | C22 | C3 | O1 | 64.5° | 65.1° |
| C24 | C22 | C3 | C23 | 50.7° | 54.8° |
| C22 | C24 | C25 | N2 | 178.0° | 179.7° |
| C22 | C24 | C25 | C26 | 179.6° | 180.0° |
| C22 | C24 | N2 | C28 | 179.3° | 179.7° |
| C24 | C22 | H6 | H7 | 116.3° | 120.1° |
| C22 | C24 | C25 | H8 | 0.4° | 0.1° |
| C1 | C2 | O1 | C3 | 65.9° | 68.4° |
| C1 | C2 | O1 | C6 | 118.0° | 119.7° |
| C1 | C2 | O1 | H5 | 120.1° | 119.9° |
| C1 | C2 | C6 | H5 | 117.6° | 120.5° |
| C1 | C2 | C6 | C11 | 104.0° | 95.9° |
| C1 | C2 | C6 | C7 | 76.1° | 84.2° |
| C3 | O1 | C2 | C6 | 176.1° | 171.9° |
| C3 | O1 | C2 | H5 | 54.2° | 51.5° |
| O1 | C3 | C22 | H6 | 174.3° | 175.0° |
| O1 | C3 | C22 | H7 | 56.6° | 55.0° |
| O1 | C3 | C23 | H12 | 62.6° | 60.0° |
| O1 | C3 | C23 | H13 | 57.4° | 180.0° |
| O1 | C3 | C23 | H14 | 177.4° | 60.0° |
| C23 | C3 | O1 | C2 | 160.3° | 169.7° |
| C23 | C3 | C22 | H6 | 70.5° | 65.2° |
| C23 | C3 | C22 | H7 | 171.8° | 174.9° |
| C3 | C23 | H12 | H13 | 120.0° | 120.0° |
| C3 | C23 | H12 | H14 | 120.0° | 120.0° |
| C3 | C23 | H13 | H14 | 120.0° | 120.0° |
| O1 | C2 | C6 | H5 | 122.7° | 120.4° |
| O1 | C2 | C6 | C11 | 136.3° | 145.0° |
| O1 | C2 | C6 | C7 | 43.5° | 34.9° |
| O1 | C2 | C1 | H32 | 69.8° | 71.0° |
| C2 | C6 | C11 | C7 | 179.9° | 180.0° |
| C2 | C6 | C11 | C10 | 179.9° | 180.0° |
| C2 | C6 | C7 | C8 | 179.9° | 180.0° |
| C2 | C6 | C11 | H1 | 0.1° | 0.3° |
| C2 | C6 | C7 | H4 | 0.1° | 0.1° |
| C6 | C2 | C1 | H32 | 51.4° | 48.8° |
| C24 | C25 | C26 | H8 | 180.0° | 179.9° |
| C25 | C24 | N2 | C28 | 1.4° | 0.6° |
| C24 | C25 | C26 | C27 | 1.1° | 0.0° |
| C25 | C24 | C22 | H6 | 14.2° | 5.1° |
| C25 | C24 | C22 | H7 | 131.8° | 115.0° |
| C24 | C25 | C26 | H9 | 178.9° | 180.0° |
| N2 | C24 | C25 | C26 | 1.6° | 0.3° |
| C24 | N2 | C28 | C27 | 0.7° | 0.6° |
| N2 | C24 | C22 | H6 | 163.8° | 175.3° |
| N2 | C24 | C22 | H7 | 46.1° | 64.7° |
| N2 | C24 | C25 | H8 | 178.4° | 179.8° |
| C24 | N2 | C28 | H11 | 179.3° | 179.7° |
| C25 | C26 | C27 | H9 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | C29 | 179.4° | 179.9° |
| C6 | C11 | C10 | H1 | 180.0° | 179.7° |
| C6 | C11 | C10 | CL1 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.2° | 0.1° |
| C11 | C6 | C7 | C8 | 0.0° | 0.0° |
| C11 | C6 | C7 | H4 | 180.0° | 180.0° |
| C11 | C6 | C2 | H5 | 13.6° | 24.6° |
| C11 | C10 | CL1 | C9 | 179.7° | 180.0° |
| C10 | C11 | C6 | C7 | 0.2° | 0.1° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | C9 | H2 | 179.9° | 180.0° |
| O5 | S1 | O6 | C30 | 119.7° | 125.0° |
| O5 | S1 | C30 | C31 | 63.4° | 65.5° |
| O5 | S1 | C30 | C33 | 175.5° | 54.5° |
| O5 | S1 | C30 | C32 | 55.4° | 174.5° |
| O5 | S1 | C19 | H21 | 61.0° | 174.5° |
| O5 | S1 | C19 | H22 | 179.8° | 54.5° |
| CL1 | C10 | C9 | C8 | 179.8° | 180.0° |
| CL1 | C10 | C11 | H1 | 0.0° | 0.3° |
| CL1 | C10 | C9 | H2 | 0.2° | 0.0° |
| O6 | S1 | C30 | C31 | 177.4° | 65.5° |
| O6 | S1 | C30 | C33 | 56.3° | 174.5° |
| O6 | S1 | C30 | C32 | 63.8° | 54.5° |
| O6 | S1 | C19 | H21 | 179.2° | 54.4° |
| O6 | S1 | C19 | H22 | 60.4° | 174.5° |
| S1 | C30 | C31 | C33 | 120.6° | 120.0° |
| S1 | C30 | C31 | C32 | 118.2° | 120.0° |
| S1 | C30 | C33 | C32 | 118.9° | 119.9° |
| C30 | S1 | C19 | H21 | 60.0° | 60.0° |
| C30 | S1 | C19 | H22 | 58.7° | 60.0° |
| S1 | C30 | C32 | H23 | 180.0° | 60.0° |
| S1 | C30 | C32 | H24 | 60.0° | 180.0° |
| S1 | C30 | C32 | H25 | 60.0° | 60.1° |
| S1 | C30 | C33 | H26 | 180.0° | 60.0° |
| S1 | C30 | C33 | H27 | 60.0° | 180.0° |
| S1 | C30 | C33 | H28 | 60.0° | 60.0° |
| S1 | C30 | C31 | H29 | 180.0° | 60.0° |
| S1 | C30 | C31 | H30 | 60.0° | 180.0° |
| S1 | C30 | C31 | H31 | 60.0° | 60.0° |
| C31 | C30 | C33 | C32 | 120.6° | 120.0° |
| C31 | C30 | C32 | H23 | 61.0° | 180.0° |
| C31 | C30 | C32 | H24 | 179.0° | 60.0° |
| C31 | C30 | C32 | H25 | 59.0° | 60.0° |
| C31 | C30 | C33 | H26 | 59.5° | 60.0° |
| C31 | C30 | C33 | H27 | 60.6° | 60.0° |
| C31 | C30 | C33 | H28 | 179.4° | 180.0° |
| C30 | C31 | H29 | H30 | 120.0° | 120.0° |
| C30 | C31 | H29 | H31 | 120.0° | 120.0° |
| C30 | C31 | H30 | H31 | 120.0° | 120.0° |
| N2 | C28 | C27 | C26 | 0.2° | 0.3° |
| N2 | C28 | C27 | H11 | 180.0° | 179.7° |
| N2 | C28 | C27 | C29 | 179.6° | 179.7° |
| C26 | C27 | C28 | C29 | 179.8° | 180.0° |
| C26 | C27 | C29 | O3 | 0.2° | 0.0° |
| C26 | C27 | C29 | O4 | 177.1° | 180.0° |
| C27 | C26 | C25 | H8 | 178.9° | 179.9° |
| C26 | C27 | C28 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C7 | C6 | C11 | H1 | 179.8° | 179.8° |
| C6 | C7 | C8 | H3 | 179.9° | 180.0° |
| C7 | C6 | C2 | H5 | 166.3° | 155.3° |
| C10 | C9 | C8 | C7 | 0.1° | 0.0° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C9 | C10 | C11 | H1 | 179.8° | 179.8° |
| C10 | C9 | C8 | H3 | 179.9° | 180.0° |
| C28 | C27 | C29 | O3 | 179.9° | 180.0° |
| C28 | C27 | C29 | O4 | 2.7° | 0.0° |
| C28 | C27 | C26 | H9 | 179.5° | 180.0° |
| C27 | C29 | O3 | O4 | 177.2° | 180.0° |
| C29 | C27 | C26 | H9 | 0.6° | 0.1° |
| C27 | C29 | O4 | H10 | 177.1° | 180.0° |
| C29 | C27 | C28 | H11 | 0.4° | 0.0° |
| C33 | C30 | C32 | H23 | 60.3° | 60.0° |
| C33 | C30 | C32 | H24 | 59.7° | 60.1° |
| C33 | C30 | C32 | H25 | 179.8° | 180.0° |
| C30 | C33 | H26 | H27 | 120.0° | 120.0° |
| C30 | C33 | H26 | H28 | 120.0° | 120.0° |
| C30 | C33 | H27 | H28 | 120.0° | 120.0° |
| C33 | C30 | C31 | H29 | 59.4° | 180.0° |
| C33 | C30 | C31 | H30 | 179.4° | 60.0° |
| C33 | C30 | C31 | H31 | 60.6° | 60.0° |
| C30 | C32 | H23 | H24 | 120.0° | 120.0° |
| C30 | C32 | H23 | H25 | 120.0° | 120.0° |
| C30 | C32 | H24 | H25 | 120.0° | 119.9° |
| C32 | C30 | C33 | H26 | 61.1° | 180.0° |
| C32 | C30 | C33 | H27 | 178.9° | 60.0° |
| C32 | C30 | C33 | H28 | 58.9° | 60.0° |
| C32 | C30 | C31 | H29 | 61.9° | 60.0° |
| C32 | C30 | C31 | H30 | 58.1° | 60.0° |
| C32 | C30 | C31 | H31 | 178.1° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | H2 | 179.9° | 180.0° |
| O3 | C29 | O4 | H10 | 0.0° | 0.0° |
| C9 | C8 | C7 | H4 | 179.9° | 180.0° |
| H2 | C9 | C8 | H3 | 0.1° | 0.0° |
| H3 | C8 | C7 | H4 | 0.2° | 0.0° |
| H5 | C2 | C1 | H32 | 169.1° | 169.2° |
| H8 | C25 | C26 | H9 | 1.1° | 0.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C18 | H16 | 157.9° | 154.5° |
| H15 | C17 | C19 | H21 | 67.7° | 65.0° |
| H15 | C17 | C19 | H22 | 173.5° | 175.0° |
| H16 | C18 | C20 | H17 | 142.8° | 0.1° |
| H16 | C18 | C20 | H18 | 1.7° | 145.0° |
| H16 | C18 | C21 | H19 | 1.5° | 145.0° |
| H16 | C18 | C21 | H20 | 142.8° | 0.0° |
| H17 | C20 | C21 | H19 | 141.2° | 145.0° |
| H17 | C20 | C21 | H20 | 0.1° | 0.0° |
| H18 | C20 | C21 | H19 | 0.1° | 0.0° |
| H18 | C20 | C21 | H20 | 141.2° | 145.0° |
| H23 | C32 | H24 | H25 | 120.0° | 120.0° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H33 | C12 | C13 | H34 | 0.9° | 0.1° |
| H35 | C15 | C16 | H36 | 0.7° | 0.3° |
