2U0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C24 | sing | 1.35Å | 1.35Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C12 | sing | 1.53Å | 1.52Å | |
| CL2 | C23 | sing | 1.74Å | 1.73Å | |
| C27 | C12 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.46Å | 1.49Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C1 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| O1 | C17 | doub | 1.21Å | 1.23Å | |
| N1 | C17 | sing | 1.33Å | 1.41Å | |
| N1 | C2 | sing | 1.46Å | 1.48Å | |
| C13 | S1 | sing | 1.81Å | 1.82Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.50Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C20 | S2 | sing | 1.71Å | 1.71Å | Aromatic |
| C20 | N2 | doub | 1.29Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C18 | C5 | sing | 1.53Å | 1.54Å | |
| C18 | C26 | sing | 1.53Å | 1.53Å | |
| S2 | C31 | sing | 1.76Å | 1.64Å | Aromatic |
| C10 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| CL1 | C9 | sing | 1.74Å | 1.74Å | |
| N2 | C30 | sing | 1.32Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O3 | S1 | doub | 1.42Å | 1.50Å | |
| S1 | C14 | sing | 1.81Å | 1.83Å | |
| S1 | O2 | doub | 1.42Å | 1.51Å | |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.34Å | 1.35Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| O5 | C33 | doub | 1.21Å | 1.25Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C29 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C33 | O4 | sing | 1.34Å | 1.25Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C24 | C23 | 120.7° | 120.0° |
| F1 | C24 | C25 | 119.1° | 120.0° |
| C27 | C28 | C12 | 59.7° | 60.0° |
| C28 | C27 | C12 | 59.8° | 60.0° |
| C28 | C27 | H14 | 120.0° | 117.5° |
| C28 | C27 | H15 | 120.0° | 117.5° |
| C27 | C28 | H16 | 120.0° | 117.5° |
| C27 | C28 | H17 | 120.0° | 117.5° |
| C28 | C12 | C27 | 60.5° | 60.0° |
| C28 | C12 | C11 | 118.0° | 117.5° |
| C28 | C12 | H13 | 117.3° | 117.5° |
| C12 | C28 | H16 | 120.0° | 117.5° |
| C12 | C28 | H17 | 120.0° | 117.5° |
| CL2 | C23 | C24 | 121.0° | 120.0° |
| CL2 | C23 | C22 | 119.4° | 120.0° |
| C27 | C12 | C11 | 114.4° | 117.5° |
| C27 | C12 | H13 | 117.3° | 117.5° |
| C12 | C27 | H14 | 120.0° | 117.5° |
| C12 | C27 | H15 | 120.0° | 117.5° |
| C23 | C24 | C25 | 120.2° | 119.9° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C24 | C25 | C1 | 120.4° | 120.0° |
| C24 | C25 | H9 | 119.8° | 120.0° |
| C12 | C11 | N1 | 118.1° | 109.5° |
| C12 | C11 | C13 | 108.4° | 109.5° |
| C12 | C11 | H12 | 106.4° | 109.5° |
| C11 | C12 | H13 | 117.1° | 115.6° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H10 | 120.0° | 120.0° |
| C25 | C1 | C21 | 119.3° | 120.0° |
| C25 | C1 | C2 | 120.2° | 120.0° |
| C1 | C25 | H9 | 119.8° | 120.0° |
| C22 | C21 | C1 | 120.6° | 120.1° |
| C21 | C22 | H10 | 120.1° | 120.0° |
| C22 | C21 | H11 | 119.7° | 119.9° |
| N1 | C11 | C13 | 109.8° | 109.5° |
| C11 | N1 | C17 | 119.3° | 117.9° |
| C11 | N1 | C2 | 120.3° | 117.9° |
| N1 | C11 | H12 | 107.0° | 109.5° |
| C11 | C13 | S1 | 116.3° | 109.5° |
| C13 | C11 | H12 | 106.4° | 109.4° |
| C11 | C13 | H18 | 107.7° | 109.5° |
| C11 | C13 | H19 | 107.7° | 109.5° |
| C21 | C1 | C2 | 120.5° | 120.0° |
| C1 | C21 | H11 | 119.7° | 120.0° |
| C1 | C2 | N1 | 109.3° | 109.1° |
| C1 | C2 | C3 | 107.5° | 109.3° |
| C1 | C2 | H8 | 108.6° | 109.3° |
| O1 | C17 | N1 | 121.0° | 118.3° |
| O1 | C17 | C18 | 115.7° | 118.2° |
| C17 | N1 | C2 | 119.3° | 124.1° |
| N1 | C17 | C18 | 123.0° | 123.5° |
| N1 | C2 | C3 | 113.4° | 110.5° |
| N1 | C2 | H8 | 109.4° | 109.3° |
| C13 | S1 | O3 | 110.7° | 108.6° |
| C13 | S1 | C14 | 108.4° | 102.0° |
| C13 | S1 | O2 | 110.9° | 108.6° |
| S1 | C13 | H18 | 107.7° | 109.5° |
| S1 | C13 | H19 | 107.7° | 109.4° |
| C20 | C19 | C18 | 111.7° | 109.5° |
| C19 | C20 | S2 | 120.0° | 125.0° |
| C19 | C20 | N2 | 132.6° | 124.8° |
| C20 | C19 | H32 | 108.9° | 109.5° |
| C20 | C19 | H33 | 108.9° | 109.4° |
| C19 | C18 | C17 | 103.3° | 109.4° |
| C19 | C18 | C5 | 115.4° | 109.4° |
| C19 | C18 | C26 | 110.7° | 109.4° |
| C18 | C19 | H32 | 108.9° | 109.5° |
| C18 | C19 | H33 | 108.9° | 109.4° |
| C17 | C18 | C5 | 111.8° | 109.9° |
| C17 | C18 | C26 | 106.7° | 109.4° |
| C2 | C3 | C4 | 105.2° | 109.6° |
| C2 | C3 | C5 | 106.4° | 108.7° |
| C2 | C3 | H5 | 110.7° | 109.8° |
| C3 | C2 | H8 | 108.6° | 109.3° |
| S2 | C20 | N2 | 107.4° | 110.2° |
| C20 | S2 | C31 | 95.4° | 90.3° |
| C20 | N2 | C30 | 113.7° | 117.1° |
| C4 | C3 | C5 | 112.3° | 109.6° |
| C3 | C4 | C10 | 121.2° | 120.0° |
| C3 | C4 | C6 | 119.8° | 120.0° |
| C4 | C3 | H5 | 110.9° | 109.6° |
| C3 | C5 | C18 | 109.0° | 108.5° |
| C5 | C3 | H5 | 111.1° | 109.5° |
| C3 | C5 | H6 | 109.6° | 109.7° |
| C3 | C5 | H7 | 109.6° | 109.6° |
| C5 | C18 | C26 | 108.5° | 109.4° |
| C18 | C5 | H6 | 109.6° | 109.7° |
| C18 | C5 | H7 | 109.6° | 109.7° |
| C18 | C26 | H29 | 109.5° | 109.5° |
| C18 | C26 | H30 | 109.5° | 109.5° |
| C18 | C26 | H31 | 109.5° | 109.5° |
| S2 | C31 | C30 | 108.1° | 107.9° |
| S2 | C31 | C32 | 120.9° | 126.0° |
| C4 | C10 | C9 | 120.0° | 120.0° |
| C10 | C4 | C6 | 119.0° | 120.0° |
| C4 | C10 | H1 | 120.0° | 120.0° |
| C10 | C9 | CL1 | 119.8° | 120.0° |
| C10 | C9 | C8 | 120.6° | 120.0° |
| C9 | C10 | H1 | 120.0° | 120.0° |
| CL1 | C9 | C8 | 119.6° | 120.0° |
| N2 | C30 | C31 | 115.5° | 114.5° |
| N2 | C30 | H34 | 122.3° | 122.8° |
| C15 | C14 | S1 | 109.3° | 109.5° |
| C15 | C14 | C16 | 110.0° | 109.4° |
| C15 | C14 | C29 | 109.7° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.4° |
| C14 | C15 | H27 | 109.5° | 109.5° |
| C14 | C15 | H28 | 109.5° | 109.4° |
| O3 | S1 | C14 | 109.8° | 108.6° |
| O3 | S1 | O2 | 109.2° | 119.2° |
| C14 | S1 | O2 | 107.8° | 108.6° |
| S1 | C14 | C16 | 108.3° | 109.4° |
| S1 | C14 | C29 | 109.0° | 109.5° |
| C4 | C6 | C7 | 121.2° | 120.0° |
| C4 | C6 | H4 | 119.4° | 120.0° |
| C30 | C31 | C32 | 131.0° | 126.1° |
| C31 | C30 | H34 | 122.3° | 122.7° |
| C31 | C32 | C33 | 108.2° | 109.5° |
| C31 | C32 | H35 | 109.8° | 109.5° |
| C31 | C32 | H36 | 109.8° | 109.5° |
| C9 | C8 | C7 | 119.8° | 120.0° |
| C9 | C8 | H2 | 120.1° | 120.0° |
| O5 | C33 | C32 | 116.5° | 120.0° |
| O5 | C33 | O4 | 126.7° | 120.0° |
| C16 | C14 | C29 | 110.6° | 109.5° |
| C14 | C16 | H20 | 109.5° | 109.5° |
| C14 | C16 | H21 | 109.4° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C29 | H23 | 109.5° | 109.5° |
| C14 | C29 | H24 | 109.5° | 109.5° |
| C14 | C29 | H25 | 109.5° | 109.5° |
| C32 | C33 | O4 | 116.8° | 120.0° |
| C33 | C32 | H35 | 109.8° | 109.5° |
| C33 | C32 | H36 | 109.8° | 109.5° |
| C33 | O4 | H37 | 109.5° | 117.0° |
| C6 | C7 | C8 | 119.4° | 120.0° |
| C6 | C7 | H3 | 120.3° | 120.0° |
| C7 | C6 | H4 | 119.4° | 120.0° |
| C7 | C8 | H2 | 120.1° | 120.0° |
| C8 | C7 | H3 | 120.3° | 120.0° |
| H6 | C5 | H7 | 109.5° | 109.7° |
| H14 | C27 | H15 | 109.5° | 115.6° |
| H16 | C28 | H17 | 109.5° | 115.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.4° |
| H20 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H23 | C29 | H24 | 109.4° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.4° | 109.4° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H26 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H31 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.5° | 109.4° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H35 | C32 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C24 | C23 | CL2 | 0.5° | 0.0° |
| F1 | C24 | C23 | C25 | 179.6° | 179.9° |
| F1 | C24 | C23 | C22 | 179.9° | 180.0° |
| F1 | C24 | C25 | C1 | 179.5° | 180.0° |
| F1 | C24 | C25 | H9 | 0.5° | 0.1° |
| C27 | C28 | C12 | H16 | 109.4° | 107.5° |
| C27 | C28 | C12 | H17 | 109.4° | 107.5° |
| C28 | C27 | C12 | H14 | 109.4° | 107.5° |
| C28 | C27 | C12 | H15 | 109.4° | 107.5° |
| C27 | C28 | C12 | C11 | 103.7° | 107.5° |
| C27 | C28 | C12 | H13 | 107.5° | 107.5° |
| C28 | C27 | H14 | H15 | 144.8° | 145.7° |
| C27 | C28 | H16 | H17 | 144.9° | 145.7° |
| C28 | C12 | C11 | H13 | 148.8° | 145.6° |
| C28 | C12 | C11 | N1 | 63.8° | 111.3° |
| C28 | C12 | C11 | C13 | 170.5° | 128.7° |
| C28 | C12 | C11 | H12 | 56.4° | 8.8° |
| C12 | C28 | H16 | H17 | 144.9° | 145.7° |
| CL2 | C23 | C24 | C22 | 179.6° | 179.9° |
| CL2 | C23 | C24 | C25 | 179.1° | 179.9° |
| CL2 | C23 | C22 | C21 | 179.3° | 180.0° |
| CL2 | C23 | C22 | H10 | 0.7° | 0.0° |
| C27 | C12 | C11 | H13 | 143.0° | 145.7° |
| C27 | C12 | C11 | N1 | 132.0° | 179.9° |
| C27 | C12 | C11 | C13 | 102.3° | 60.0° |
| C27 | C12 | C11 | H12 | 11.8° | 59.9° |
| C12 | C27 | H14 | H15 | 144.8° | 145.7° |
| C23 | C24 | C25 | C1 | 0.9° | 0.1° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C23 | C24 | C25 | H9 | 179.1° | 180.0° |
| C24 | C23 | C22 | H10 | 179.7° | 180.0° |
| C25 | C24 | C23 | C22 | 0.5° | 0.1° |
| C24 | C25 | C1 | H9 | 180.0° | 179.9° |
| C24 | C25 | C1 | C21 | 1.0° | 0.0° |
| C24 | C25 | C1 | C2 | 179.8° | 179.8° |
| C12 | C11 | N1 | C13 | 125.0° | 120.0° |
| C12 | C11 | N1 | H12 | 119.9° | 120.0° |
| C12 | C11 | C13 | H12 | 114.2° | 120.0° |
| C12 | C11 | N1 | C17 | 62.9° | 60.0° |
| C12 | C11 | N1 | C2 | 129.1° | 120.0° |
| C12 | C11 | C13 | S1 | 171.0° | 175.0° |
| C11 | C12 | C27 | H14 | 0.1° | 145.0° |
| C11 | C12 | C27 | H15 | 141.0° | 0.0° |
| C11 | C12 | C28 | H16 | 146.9° | 0.0° |
| C11 | C12 | C28 | H17 | 5.7° | 145.0° |
| C12 | C11 | C13 | H18 | 50.0° | 54.9° |
| C12 | C11 | C13 | H19 | 68.1° | 65.1° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C23 | C22 | C21 | C1 | 0.5° | 0.0° |
| C23 | C22 | C21 | H11 | 179.5° | 179.7° |
| C25 | C1 | C21 | C22 | 0.8° | 0.0° |
| C25 | C1 | C21 | C2 | 178.8° | 179.8° |
| C25 | C1 | C2 | N1 | 65.7° | 40.7° |
| C25 | C1 | C2 | C3 | 57.8° | 80.3° |
| C25 | C1 | C2 | H8 | 175.1° | 160.1° |
| C25 | C1 | C21 | H11 | 179.2° | 179.7° |
| C22 | C21 | C1 | H11 | 180.0° | 179.7° |
| C22 | C21 | C1 | C2 | 179.6° | 179.8° |
| N1 | C11 | C13 | H12 | 115.4° | 120.0° |
| C11 | N1 | C2 | C1 | 50.0° | 40.7° |
| C11 | N1 | C17 | O1 | 5.9° | 2.2° |
| C11 | N1 | C17 | C2 | 168.1° | 180.0° |
| N1 | C11 | C13 | S1 | 58.6° | 65.0° |
| C11 | N1 | C17 | C18 | 168.2° | 177.7° |
| C11 | N1 | C2 | C3 | 169.9° | 160.9° |
| C11 | N1 | C2 | H8 | 68.8° | 78.8° |
| N1 | C11 | C12 | H13 | 85.0° | 34.4° |
| N1 | C11 | C13 | H18 | 179.6° | 175.0° |
| N1 | C11 | C13 | H19 | 62.4° | 55.0° |
| C13 | C11 | N1 | C17 | 62.2° | 60.0° |
| C13 | C11 | N1 | C2 | 105.9° | 120.0° |
| C11 | C13 | S1 | H18 | 121.0° | 120.1° |
| C11 | C13 | S1 | H19 | 121.0° | 120.0° |
| C11 | C13 | S1 | O3 | 59.0° | 65.5° |
| C11 | C13 | S1 | C14 | 179.5° | 179.9° |
| C11 | C13 | S1 | O2 | 62.4° | 65.4° |
| C13 | C11 | C12 | H13 | 40.7° | 85.7° |
| C11 | C13 | H18 | H19 | 116.9° | 120.0° |
| C21 | C1 | C2 | N1 | 115.6° | 139.1° |
| C21 | C1 | C2 | C3 | 121.0° | 100.0° |
| C21 | C1 | C2 | H8 | 3.7° | 19.7° |
| C21 | C1 | C25 | H9 | 179.0° | 179.9° |
| C1 | C21 | C22 | H10 | 179.6° | 180.0° |
| C1 | C2 | N1 | C17 | 142.0° | 139.3° |
| C1 | C2 | N1 | C3 | 119.9° | 120.2° |
| C1 | C2 | N1 | H8 | 118.8° | 119.4° |
| C1 | C2 | C3 | H8 | 117.3° | 119.6° |
| C1 | C2 | C3 | C4 | 64.0° | 69.4° |
| C1 | C2 | C3 | C5 | 176.7° | 170.8° |
| C1 | C2 | C3 | H5 | 55.8° | 51.0° |
| C2 | C1 | C25 | H9 | 0.2° | 0.3° |
| C2 | C1 | C21 | H11 | 0.4° | 0.1° |
| O1 | C17 | N1 | C18 | 174.1° | 179.9° |
| O1 | C17 | N1 | C2 | 174.1° | 177.8° |
| O1 | C17 | C18 | C19 | 73.8° | 77.4° |
| O1 | C17 | C18 | C5 | 161.6° | 162.4° |
| O1 | C17 | C18 | C26 | 43.1° | 42.3° |
| N1 | C17 | C18 | C19 | 111.8° | 102.5° |
| C17 | N1 | C2 | C3 | 22.1° | 19.1° |
| N1 | C17 | C18 | C5 | 12.8° | 17.6° |
| N1 | C17 | C18 | C26 | 131.3° | 137.7° |
| C17 | N1 | C2 | H8 | 99.3° | 101.2° |
| C17 | N1 | C11 | H12 | 177.3° | 180.0° |
| C2 | N1 | C17 | C18 | 0.1° | 2.3° |
| N1 | C2 | C3 | H8 | 121.8° | 120.3° |
| N1 | C2 | C3 | C4 | 175.1° | 170.5° |
| N1 | C2 | C3 | C5 | 55.8° | 50.7° |
| N1 | C2 | C3 | H5 | 65.1° | 69.1° |
| C2 | N1 | C11 | H12 | 9.2° | 0.0° |
| C13 | S1 | C14 | C15 | 60.4° | 60.0° |
| C13 | S1 | O3 | C14 | 119.6° | 110.1° |
| C13 | S1 | O3 | O2 | 122.4° | 125.0° |
| C13 | S1 | C14 | O2 | 120.1° | 114.5° |
| C13 | S1 | C14 | C16 | 59.4° | 60.0° |
| C13 | S1 | C14 | C29 | 179.8° | 180.0° |
| S1 | C13 | C11 | H12 | 56.8° | 55.0° |
| S1 | C13 | H18 | H19 | 116.9° | 119.9° |
| C20 | C19 | C18 | H32 | 120.3° | 120.1° |
| C20 | C19 | C18 | H33 | 120.3° | 119.9° |
| C20 | C19 | C18 | C17 | 169.5° | 60.1° |
| C19 | C20 | S2 | N2 | 179.7° | 179.6° |
| C20 | C19 | C18 | C5 | 68.2° | 179.5° |
| C20 | C19 | C18 | C26 | 55.5° | 59.7° |
| C19 | C20 | S2 | C31 | 179.5° | 179.9° |
| C19 | C20 | N2 | C30 | 179.5° | 179.9° |
| C20 | C19 | H32 | H33 | 119.0° | 120.0° |
| C19 | C18 | C17 | C5 | 124.7° | 120.1° |
| C19 | C18 | C17 | C26 | 116.8° | 119.8° |
| C18 | C19 | C20 | S2 | 98.5° | 89.9° |
| C18 | C19 | C20 | N2 | 81.1° | 89.7° |
| C19 | C18 | C5 | C3 | 70.3° | 71.2° |
| C19 | C18 | C5 | C26 | 124.9° | 119.8° |
| C19 | C18 | C5 | H6 | 49.6° | 48.6° |
| C19 | C18 | C5 | H7 | 169.7° | 169.1° |
| C19 | C18 | C26 | H29 | 180.0° | 59.8° |
| C19 | C18 | C26 | H30 | 60.0° | 60.3° |
| C19 | C18 | C26 | H31 | 60.0° | 179.8° |
| C18 | C19 | H32 | H33 | 119.0° | 120.0° |
| C17 | C18 | C5 | C3 | 47.3° | 48.9° |
| C17 | C18 | C5 | C26 | 117.5° | 120.1° |
| C17 | C18 | C5 | H6 | 167.2° | 168.7° |
| C17 | C18 | C5 | H7 | 72.6° | 70.8° |
| C17 | C18 | C26 | H29 | 68.2° | 60.0° |
| C17 | C18 | C26 | H30 | 51.8° | 180.0° |
| C17 | C18 | C26 | H31 | 171.8° | 60.0° |
| C17 | C18 | C19 | H32 | 70.2° | 60.0° |
| C17 | C18 | C19 | H33 | 49.1° | 180.0° |
| C2 | C3 | C4 | C5 | 115.3° | 119.2° |
| C2 | C3 | C4 | H5 | 119.7° | 120.5° |
| C2 | C3 | C5 | H5 | 120.6° | 119.9° |
| C2 | C3 | C5 | C18 | 68.6° | 67.5° |
| C2 | C3 | C4 | C10 | 109.0° | 120.8° |
| C2 | C3 | C4 | C6 | 70.9° | 59.2° |
| C2 | C3 | C5 | H6 | 171.4° | 172.7° |
| C2 | C3 | C5 | H7 | 51.3° | 52.3° |
| S2 | C20 | N2 | C30 | 0.1° | 0.3° |
| C20 | S2 | C31 | C30 | 0.1° | 0.3° |
| C20 | S2 | C31 | C32 | 179.8° | 180.0° |
| S2 | C20 | C19 | H32 | 141.2° | 150.0° |
| S2 | C20 | C19 | H33 | 21.8° | 30.0° |
| N2 | C20 | S2 | C31 | 0.2° | 0.3° |
| C20 | N2 | C30 | C31 | 0.1° | 0.1° |
| N2 | C20 | C19 | H32 | 39.2° | 30.4° |
| N2 | C20 | C19 | H33 | 158.6° | 150.4° |
| C20 | N2 | C30 | H34 | 179.9° | 180.0° |
| C4 | C3 | C5 | H5 | 124.8° | 120.3° |
| C4 | C3 | C5 | C18 | 176.8° | 172.7° |
| C3 | C4 | C10 | C6 | 179.9° | 179.9° |
| C3 | C4 | C10 | C9 | 179.6° | 180.0° |
| C3 | C4 | C6 | C7 | 179.9° | 179.9° |
| C3 | C4 | C10 | H1 | 0.4° | 0.3° |
| C3 | C4 | C6 | H4 | 0.1° | 0.0° |
| C4 | C3 | C5 | H6 | 56.9° | 52.9° |
| C4 | C3 | C5 | H7 | 63.3° | 67.5° |
| C4 | C3 | C2 | H8 | 53.3° | 50.2° |
| C3 | C5 | C18 | H6 | 119.9° | 119.8° |
| C3 | C5 | C18 | H7 | 119.9° | 119.7° |
| C3 | C5 | C18 | C26 | 164.8° | 169.0° |
| C5 | C3 | C4 | C10 | 135.7° | 119.9° |
| C5 | C3 | C4 | C6 | 44.4° | 60.0° |
| C3 | C5 | H6 | H7 | 120.2° | 120.4° |
| C5 | C3 | C2 | H8 | 66.0° | 69.6° |
| C18 | C5 | C3 | H5 | 52.0° | 52.4° |
| C18 | C5 | H6 | H7 | 120.2° | 120.5° |
| C5 | C18 | C26 | H29 | 52.4° | 179.6° |
| C5 | C18 | C26 | H30 | 172.4° | 59.6° |
| C5 | C18 | C26 | H31 | 67.6° | 60.4° |
| C5 | C18 | C19 | H32 | 52.1° | 60.4° |
| C5 | C18 | C19 | H33 | 171.5° | 59.6° |
| C26 | C18 | C5 | H6 | 75.3° | 71.2° |
| C26 | C18 | C5 | H7 | 44.9° | 49.3° |
| C18 | C26 | H29 | H30 | 120.0° | 120.0° |
| C18 | C26 | H29 | H31 | 120.0° | 120.0° |
| C18 | C26 | H30 | H31 | 120.0° | 120.0° |
| C26 | C18 | C19 | H32 | 175.8° | 179.8° |
| C26 | C18 | C19 | H33 | 64.8° | 60.2° |
| S2 | C31 | C30 | N2 | 0.1° | 0.1° |
| S2 | C31 | C30 | C32 | 179.6° | 179.7° |
| S2 | C31 | C32 | C33 | 170.1° | 90.1° |
| S2 | C31 | C30 | H34 | 179.9° | 179.8° |
| S2 | C31 | C32 | H35 | 70.1° | 29.9° |
| S2 | C31 | C32 | H36 | 50.3° | 150.0° |
| C4 | C10 | C9 | H1 | 180.0° | 179.6° |
| C4 | C10 | C9 | CL1 | 180.0° | 179.9° |
| C4 | C10 | C9 | C8 | 0.3° | 0.0° |
| C10 | C4 | C6 | C7 | 0.0° | 0.1° |
| C10 | C4 | C6 | H4 | 180.0° | 180.0° |
| C10 | C4 | C3 | H5 | 10.7° | 0.3° |
| C10 | C9 | CL1 | C8 | 179.7° | 180.0° |
| C9 | C10 | C4 | C6 | 0.3° | 0.1° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| CL1 | C9 | C8 | C7 | 179.7° | 180.0° |
| CL1 | C9 | C10 | H1 | 0.0° | 0.3° |
| CL1 | C9 | C8 | H2 | 0.2° | 0.1° |
| N2 | C30 | C31 | H34 | 180.0° | 179.9° |
| N2 | C30 | C31 | C32 | 179.7° | 179.9° |
| C15 | C14 | S1 | O3 | 60.6° | 54.5° |
| C15 | C14 | S1 | C16 | 119.8° | 119.9° |
| C15 | C14 | S1 | C29 | 119.8° | 120.0° |
| C15 | C14 | S1 | O2 | 179.5° | 174.5° |
| C15 | C14 | C16 | C29 | 121.3° | 120.0° |
| C15 | C14 | C16 | H20 | 180.0° | 180.0° |
| C15 | C14 | C16 | H21 | 60.0° | 60.0° |
| C15 | C14 | C16 | H22 | 60.0° | 60.0° |
| C15 | C14 | C29 | H23 | 180.0° | 60.1° |
| C15 | C14 | C29 | H24 | 60.0° | 60.0° |
| C15 | C14 | C29 | H25 | 60.0° | 180.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 119.9° |
| C14 | C15 | H27 | H28 | 120.0° | 119.9° |
| O3 | S1 | C14 | O2 | 118.9° | 130.9° |
| O3 | S1 | C14 | C16 | 179.6° | 174.5° |
| O3 | S1 | C14 | C29 | 59.2° | 65.5° |
| O3 | S1 | C13 | H18 | 61.9° | 54.6° |
| O3 | S1 | C13 | H19 | 180.0° | 174.5° |
| S1 | C14 | C16 | C29 | 119.4° | 120.1° |
| C14 | S1 | C13 | H18 | 58.6° | 60.0° |
| C14 | S1 | C13 | H19 | 59.5° | 60.0° |
| S1 | C14 | C16 | H20 | 60.6° | 60.1° |
| S1 | C14 | C16 | H21 | 179.3° | 180.0° |
| S1 | C14 | C16 | H22 | 59.3° | 60.0° |
| S1 | C14 | C29 | H23 | 60.4° | 60.0° |
| S1 | C14 | C29 | H24 | 59.6° | 180.0° |
| S1 | C14 | C29 | H25 | 179.6° | 60.0° |
| S1 | C14 | C15 | H26 | 180.0° | 59.9° |
| S1 | C14 | C15 | H27 | 60.0° | 180.0° |
| S1 | C14 | C15 | H28 | 60.0° | 60.0° |
| O2 | S1 | C14 | C16 | 60.7° | 54.6° |
| O2 | S1 | C14 | C29 | 59.7° | 65.5° |
| O2 | S1 | C13 | H18 | 176.7° | 174.5° |
| O2 | S1 | C13 | H19 | 58.6° | 54.5° |
| C4 | C6 | C7 | H4 | 180.0° | 179.9° |
| C4 | C6 | C7 | C8 | 0.3° | 0.1° |
| C6 | C4 | C10 | H1 | 179.7° | 179.7° |
| C4 | C6 | C7 | H3 | 179.7° | 180.0° |
| C6 | C4 | C3 | H5 | 169.4° | 179.7° |
| C30 | C31 | C32 | C33 | 9.5° | 90.3° |
| C30 | C31 | C32 | H35 | 110.3° | 149.7° |
| C30 | C31 | C32 | H36 | 129.3° | 29.7° |
| C31 | C32 | C33 | O5 | 102.4° | 0.0° |
| C31 | C32 | C33 | H35 | 119.8° | 120.0° |
| C31 | C32 | C33 | H36 | 119.8° | 120.0° |
| C31 | C32 | C33 | O4 | 76.7° | 179.9° |
| C32 | C31 | C30 | H34 | 0.3° | 0.1° |
| C31 | C32 | H35 | H36 | 120.6° | 120.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | H1 | 179.7° | 179.7° |
| C9 | C8 | C7 | H3 | 179.7° | 180.0° |
| O5 | C33 | C32 | O4 | 179.1° | 180.0° |
| O5 | C33 | C32 | H35 | 137.8° | 120.0° |
| O5 | C33 | C32 | H36 | 17.4° | 120.0° |
| O5 | C33 | O4 | H37 | 0.0° | 0.1° |
| C14 | C16 | H20 | H21 | 120.0° | 120.0° |
| C14 | C16 | H20 | H22 | 120.0° | 120.1° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C16 | C14 | C29 | H23 | 58.5° | 180.0° |
| C16 | C14 | C29 | H24 | 178.5° | 60.0° |
| C16 | C14 | C29 | H25 | 61.5° | 60.0° |
| C16 | C14 | C15 | H26 | 61.3° | 60.0° |
| C16 | C14 | C15 | H27 | 178.7° | 60.1° |
| C16 | C14 | C15 | H28 | 58.7° | 180.0° |
| C29 | C14 | C16 | H20 | 58.7° | 60.0° |
| C29 | C14 | C16 | H21 | 61.3° | 60.0° |
| C29 | C14 | C16 | H22 | 178.7° | 180.0° |
| C14 | C29 | H23 | H24 | 120.0° | 120.1° |
| C14 | C29 | H23 | H25 | 120.1° | 120.0° |
| C14 | C29 | H24 | H25 | 120.0° | 120.0° |
| C29 | C14 | C15 | H26 | 60.6° | 180.0° |
| C29 | C14 | C15 | H27 | 59.4° | 59.9° |
| C29 | C14 | C15 | H28 | 179.4° | 60.0° |
| C33 | C32 | H35 | H36 | 120.6° | 120.0° |
| C32 | C33 | O4 | H37 | 179.0° | 179.9° |
| O4 | C33 | C32 | H35 | 43.1° | 60.0° |
| O4 | C33 | C32 | H36 | 163.5° | 60.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | H2 | 179.7° | 179.9° |
| C8 | C7 | C6 | H4 | 179.7° | 180.0° |
| H2 | C8 | C7 | H3 | 0.3° | 0.0° |
| H3 | C7 | C6 | H4 | 0.3° | 0.1° |
| H5 | C3 | C5 | H6 | 68.0° | 67.4° |
| H5 | C3 | C5 | H7 | 171.9° | 172.2° |
| H5 | C3 | C2 | H8 | 173.2° | 170.6° |
| H10 | C22 | C21 | H11 | 0.4° | 0.3° |
| H12 | C11 | C12 | H13 | 154.8° | 154.4° |
| H12 | C11 | C13 | H18 | 64.2° | 65.0° |
| H12 | C11 | C13 | H19 | 177.8° | 175.0° |
| H13 | C12 | C27 | H14 | 143.1° | 0.0° |
| H13 | C12 | C27 | H15 | 1.9° | 145.0° |
| H13 | C12 | C28 | H16 | 1.9° | 145.0° |
| H13 | C12 | C28 | H17 | 143.1° | 0.0° |
| H14 | C27 | C28 | H16 | 141.2° | 145.0° |
| H14 | C27 | C28 | H17 | 0.0° | 0.0° |
| H15 | C27 | C28 | H16 | 0.0° | 0.1° |
| H15 | C27 | C28 | H17 | 141.2° | 145.0° |
| H20 | C16 | H21 | H22 | 120.0° | 120.0° |
| H23 | C29 | H24 | H25 | 119.9° | 119.9° |
| H26 | C15 | H27 | H28 | 120.0° | 120.1° |
| H29 | C26 | H30 | H31 | 120.0° | 120.0° |
