Q4D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C17 | sing | 1.74Å | 1.71Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C2 | sing | 1.50Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O1 | sing | 1.43Å | 1.47Å | |
| C11 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C14 | C1 | sing | 1.51Å | 1.55Å | |
| O1 | C10 | sing | 1.36Å | 1.38Å | |
| C1 | C4 | sing | 1.53Å | 1.56Å | |
| C1 | C12 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | N1 | sing | 1.44Å | 1.48Å | |
| C9 | N1 | sing | 1.37Å | 1.34Å | |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | C19 | sing | 1.42Å | 1.50Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C23 | sing | 1.51Å | 1.55Å | |
| O5 | C33 | doub | 1.21Å | 1.24Å | |
| O2 | C23 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.52Å | 1.56Å | |
| O7 | S1 | doub | 1.42Å | 1.49Å | |
| C23 | C33 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C33 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | S1 | sing | 1.66Å | 1.63Å | |
| C20 | C31 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| S1 | O6 | doub | 1.42Å | 1.49Å | |
| S1 | N4 | sing | 1.66Å | 1.65Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C40 | N4 | sing | 1.46Å | 1.47Å | |
| O3 | C25 | doub | 1.21Å | 1.24Å | |
| N4 | C39 | sing | 1.46Å | 1.48Å | |
| C21 | C30 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | N2 | sing | 1.37Å | 1.35Å | |
| C22 | C29 | sing | 1.51Å | 1.40Å | |
| C22 | O4 | sing | 1.43Å | 1.47Å | |
| N2 | C26 | sing | 1.48Å | 1.48Å | |
| N2 | C32 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | doub | 1.31Å | 1.39Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| O4 | C34 | sing | 1.43Å | 1.46Å | |
| F2 | C37 | sing | 1.40Å | 1.33Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | N5 | sing | 1.47Å | 1.49Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| N5 | C35 | sing | 1.47Å | 1.47Å | |
| N5 | C38 | sing | 1.47Å | 1.48Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | F1 | sing | 1.40Å | 1.32Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| O2 | H46 | sing | 0.97Å | 0.95Å | |
| N3 | H47 | sing | 0.97Å | 1.00Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C17 | C18 | 118.5° | 120.1° |
| CL1 | C17 | C16 | 119.5° | 120.1° |
| C18 | C17 | C16 | 122.0° | 119.8° |
| C17 | C18 | C13 | 119.7° | 120.7° |
| C17 | C18 | H7 | 120.1° | 119.6° |
| C17 | C16 | C15 | 118.4° | 119.7° |
| C17 | C16 | H8 | 120.8° | 120.2° |
| C18 | C13 | C2 | 115.8° | 117.7° |
| C18 | C13 | C14 | 119.1° | 119.3° |
| C13 | C18 | H7 | 120.1° | 119.7° |
| C16 | C15 | C14 | 120.6° | 120.5° |
| C15 | C16 | H8 | 120.8° | 120.1° |
| C16 | C15 | H9 | 119.7° | 119.8° |
| C2 | C13 | C14 | 125.1° | 123.0° |
| C13 | C2 | C3 | 111.4° | 111.9° |
| C13 | C2 | H5 | 109.0° | 109.0° |
| C13 | C2 | H6 | 109.0° | 108.9° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | C1 | 120.1° | 122.0° |
| C15 | C14 | C1 | 119.8° | 117.9° |
| C14 | C15 | H9 | 119.7° | 119.7° |
| O1 | C11 | C1 | 110.6° | 111.5° |
| C11 | O1 | C10 | 110.9° | 116.7° |
| O1 | C11 | H12 | 109.2° | 109.0° |
| O1 | C11 | H13 | 109.2° | 109.1° |
| C11 | C1 | C14 | 110.4° | 108.9° |
| C11 | C1 | C4 | 107.1° | 110.1° |
| C11 | C1 | C12 | 108.4° | 110.3° |
| C1 | C11 | H12 | 109.2° | 109.1° |
| C1 | C11 | H13 | 109.2° | 109.1° |
| C2 | C3 | C4 | 109.6° | 109.1° |
| C2 | C3 | H3 | 109.4° | 109.6° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| C3 | C2 | H5 | 109.0° | 109.0° |
| C3 | C2 | H6 | 109.0° | 109.0° |
| C14 | C1 | C4 | 112.4° | 109.3° |
| C14 | C1 | C12 | 109.4° | 110.0° |
| O1 | C10 | C5 | 112.7° | 121.8° |
| O1 | C10 | C9 | 125.3° | 117.7° |
| C4 | C1 | C12 | 109.1° | 108.3° |
| C1 | C4 | C3 | 113.4° | 107.4° |
| C1 | C4 | H1 | 108.5° | 109.9° |
| C1 | C4 | H2 | 108.5° | 109.9° |
| C1 | C12 | N1 | 112.9° | 109.1° |
| C1 | C12 | H10 | 108.6° | 109.5° |
| C1 | C12 | H11 | 108.6° | 109.5° |
| C3 | C4 | H1 | 108.5° | 109.8° |
| C3 | C4 | H2 | 108.5° | 109.9° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C10 | C5 | C6 | 118.9° | 119.6° |
| C5 | C10 | C9 | 122.0° | 120.4° |
| C10 | C5 | H14 | 120.5° | 120.2° |
| C5 | C6 | C7 | 119.9° | 120.4° |
| C6 | C5 | H14 | 120.5° | 120.2° |
| C5 | C6 | H15 | 120.0° | 119.8° |
| C10 | C9 | N1 | 121.4° | 117.2° |
| C10 | C9 | C8 | 118.1° | 119.3° |
| C6 | C7 | C8 | 120.4° | 120.2° |
| C6 | C7 | C23 | 120.7° | 119.9° |
| C7 | C6 | H15 | 120.0° | 119.7° |
| C12 | N1 | C9 | 122.4° | 114.9° |
| C12 | N1 | C19 | 112.6° | 122.5° |
| N1 | C12 | H10 | 108.6° | 109.6° |
| N1 | C12 | H11 | 108.6° | 109.5° |
| N1 | C9 | C8 | 120.5° | 123.5° |
| C9 | N1 | C19 | 123.4° | 122.0° |
| C9 | C8 | C7 | 120.6° | 120.1° |
| C9 | C8 | H16 | 119.7° | 120.0° |
| N1 | C19 | C20 | 109.9° | 114.4° |
| N1 | C19 | H17 | 109.4° | 108.5° |
| N1 | C19 | H18 | 109.4° | 108.5° |
| C8 | C7 | C23 | 118.9° | 120.0° |
| C7 | C8 | H16 | 119.7° | 119.9° |
| C7 | C23 | O2 | 111.7° | 109.5° |
| C7 | C23 | C33 | 105.5° | 109.5° |
| C7 | C23 | C24 | 109.5° | 109.6° |
| O5 | C33 | C23 | 120.6° | 120.0° |
| O5 | C33 | N3 | 124.6° | 120.0° |
| O2 | C23 | C33 | 107.3° | 109.5° |
| O2 | C23 | C24 | 109.4° | 109.4° |
| C23 | O2 | H46 | 109.5° | 114.0° |
| C19 | C20 | C31 | 112.2° | 113.1° |
| C19 | C20 | C21 | 112.3° | 112.2° |
| C20 | C19 | H17 | 109.4° | 108.5° |
| C20 | C19 | H18 | 109.4° | 108.5° |
| C19 | C20 | H19 | 114.1° | 113.2° |
| O7 | S1 | N3 | 110.9° | 106.4° |
| O7 | S1 | O6 | 108.0° | 123.2° |
| O7 | S1 | N4 | 109.7° | 106.4° |
| C33 | C23 | C24 | 113.4° | 109.4° |
| C23 | C33 | N3 | 114.8° | 120.0° |
| C23 | C24 | C25 | 112.8° | 109.3° |
| C23 | C24 | H44 | 108.6° | 109.5° |
| C23 | C24 | H45 | 108.6° | 109.6° |
| C33 | N3 | S1 | 123.7° | 120.0° |
| C33 | N3 | H47 | 118.2° | 120.0° |
| N3 | S1 | O6 | 108.6° | 106.4° |
| N3 | S1 | N4 | 112.6° | 107.2° |
| S1 | N3 | H47 | 118.2° | 120.0° |
| C31 | C20 | C21 | 86.8° | 89.8° |
| C20 | C31 | C30 | 88.4° | 89.9° |
| C31 | C20 | H19 | 114.2° | 113.1° |
| C20 | C31 | H20 | 114.4° | 113.1° |
| C20 | C31 | H21 | 114.5° | 113.2° |
| C20 | C21 | C30 | 88.4° | 90.0° |
| C20 | C21 | C22 | 115.4° | 113.4° |
| C21 | C20 | H19 | 114.3° | 113.3° |
| C20 | C21 | H24 | 112.3° | 112.6° |
| O6 | S1 | N4 | 106.8° | 106.4° |
| S1 | N4 | C40 | 113.2° | 120.0° |
| S1 | N4 | C39 | 110.7° | 120.0° |
| C31 | C30 | C21 | 87.6° | 90.2° |
| C30 | C31 | H20 | 114.5° | 113.1° |
| C30 | C31 | H21 | 114.4° | 113.1° |
| C31 | C30 | H22 | 114.6° | 113.2° |
| C31 | C30 | H23 | 114.6° | 113.1° |
| C24 | C25 | O3 | 119.8° | 120.7° |
| C24 | C25 | N2 | 116.4° | 118.6° |
| C25 | C24 | H44 | 108.7° | 109.5° |
| C25 | C24 | H45 | 108.6° | 109.5° |
| C40 | N4 | C39 | 109.3° | 120.0° |
| N4 | C40 | H48 | 109.5° | 109.5° |
| N4 | C40 | H49 | 109.4° | 109.5° |
| N4 | C40 | H50 | 109.5° | 109.5° |
| O3 | C25 | N2 | 123.8° | 120.7° |
| N4 | C39 | H51 | 109.5° | 109.5° |
| N4 | C39 | H52 | 109.4° | 109.4° |
| N4 | C39 | H53 | 109.5° | 109.5° |
| C30 | C21 | C22 | 114.0° | 113.6° |
| C21 | C30 | H22 | 114.6° | 113.1° |
| C21 | C30 | H23 | 114.6° | 113.1° |
| C30 | C21 | H24 | 112.5° | 113.1° |
| C21 | C22 | C29 | 118.9° | 109.4° |
| C21 | C22 | O4 | 102.7° | 109.5° |
| C22 | C21 | H24 | 112.3° | 112.3° |
| C21 | C22 | H25 | 108.1° | 109.5° |
| C25 | N2 | C26 | 123.9° | 114.4° |
| C25 | N2 | C32 | 113.9° | 122.8° |
| C29 | C22 | O4 | 107.5° | 109.5° |
| C22 | C29 | C28 | 119.3° | 120.0° |
| C29 | C22 | H25 | 110.0° | 109.5° |
| C22 | C29 | H35 | 120.3° | 120.1° |
| C22 | O4 | C34 | 111.9° | 114.0° |
| O4 | C22 | H25 | 109.1° | 109.5° |
| C26 | N2 | C32 | 122.2° | 122.8° |
| N2 | C26 | C27 | 111.4° | 108.4° |
| N2 | C26 | H39 | 109.0° | 109.7° |
| N2 | C26 | H40 | 109.0° | 109.8° |
| N2 | C32 | H41 | 109.5° | 109.5° |
| N2 | C32 | H42 | 109.5° | 109.5° |
| N2 | C32 | H43 | 109.5° | 109.5° |
| C26 | C27 | C28 | 111.9° | 109.5° |
| C26 | C27 | H37 | 108.9° | 109.5° |
| C26 | C27 | H38 | 108.9° | 109.5° |
| C27 | C26 | H39 | 109.0° | 109.6° |
| C27 | C26 | H40 | 109.0° | 109.7° |
| C29 | C28 | C27 | 120.2° | 120.1° |
| C28 | C29 | H35 | 120.4° | 119.9° |
| C29 | C28 | H36 | 119.9° | 120.0° |
| C27 | C28 | H36 | 119.9° | 120.0° |
| C28 | C27 | H37 | 108.9° | 109.5° |
| C28 | C27 | H38 | 108.9° | 109.4° |
| O4 | C34 | C35 | 105.9° | 109.5° |
| O4 | C34 | H26 | 110.4° | 109.5° |
| O4 | C34 | H27 | 110.3° | 109.5° |
| F2 | C37 | C36 | 111.7° | 114.2° |
| F2 | C37 | C38 | 116.3° | 114.2° |
| F2 | C37 | F1 | 112.4° | 113.4° |
| C34 | C35 | N5 | 109.6° | 109.5° |
| C35 | C34 | H26 | 110.3° | 109.4° |
| C35 | C34 | H27 | 110.3° | 109.5° |
| C34 | C35 | H28 | 109.5° | 109.5° |
| C34 | C35 | H29 | 109.4° | 109.4° |
| N5 | C36 | C37 | 87.7° | 87.9° |
| C36 | N5 | C35 | 112.9° | 111.0° |
| C36 | N5 | C38 | 90.3° | 87.8° |
| N5 | C36 | H31 | 114.6° | 113.5° |
| N5 | C36 | H32 | 114.6° | 113.5° |
| C36 | C37 | C38 | 87.1° | 83.6° |
| C36 | C37 | F1 | 112.4° | 114.2° |
| C37 | C36 | H31 | 114.6° | 113.5° |
| C37 | C36 | H32 | 114.6° | 113.5° |
| C35 | N5 | C38 | 111.3° | 111.0° |
| N5 | C35 | H28 | 109.4° | 109.5° |
| N5 | C35 | H29 | 109.4° | 109.5° |
| N5 | C38 | C37 | 88.0° | 87.9° |
| N5 | C38 | H33 | 114.5° | 113.4° |
| N5 | C38 | H34 | 114.5° | 113.5° |
| C38 | C37 | F1 | 114.4° | 114.2° |
| C37 | C38 | H33 | 114.5° | 113.5° |
| C37 | C38 | H34 | 114.5° | 113.5° |
| H1 | C4 | H2 | 109.5° | 109.8° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.4° | 108.9° |
| H10 | C12 | H11 | 109.5° | 109.6° |
| H12 | C11 | H13 | 109.5° | 109.0° |
| H17 | C19 | H18 | 109.4° | 108.3° |
| H20 | C31 | H21 | 109.5° | 112.5° |
| H22 | C30 | H23 | 109.5° | 112.4° |
| H26 | C34 | H27 | 109.5° | 109.4° |
| H28 | C35 | H29 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.5° | 112.8° |
| H33 | C38 | H34 | 109.5° | 112.8° |
| H37 | C27 | H38 | 109.5° | 109.4° |
| H39 | C26 | H40 | 109.5° | 109.6° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H43 | 109.5° | 109.5° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H48 | C40 | H50 | 109.5° | 109.4° |
| H49 | C40 | H50 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.5° | 109.4° |
| H51 | C39 | H53 | 109.4° | 109.5° |
| H52 | C39 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C17 | C18 | C16 | 178.9° | 180.0° |
| CL1 | C17 | C18 | C13 | 179.7° | 179.7° |
| CL1 | C17 | C16 | C15 | 179.6° | 179.7° |
| CL1 | C17 | C18 | H7 | 0.3° | 0.3° |
| CL1 | C17 | C16 | H8 | 0.4° | 0.4° |
| C17 | C18 | C13 | H7 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.7° | 0.3° |
| C17 | C18 | C13 | C2 | 179.8° | 179.9° |
| C17 | C18 | C13 | C14 | 0.1° | 0.5° |
| C18 | C17 | C16 | H8 | 179.3° | 179.6° |
| C16 | C17 | C18 | C13 | 0.8° | 0.3° |
| C17 | C16 | C15 | H8 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.2° | 0.4° |
| C16 | C17 | C18 | H7 | 179.2° | 179.7° |
| C17 | C16 | C15 | H9 | 179.8° | 179.7° |
| C18 | C13 | C2 | C14 | 179.9° | 179.4° |
| C18 | C13 | C14 | C15 | 0.9° | 1.2° |
| C18 | C13 | C2 | C3 | 160.4° | 171.6° |
| C18 | C13 | C14 | C1 | 179.7° | 176.8° |
| C18 | C13 | C2 | H5 | 79.3° | 51.0° |
| C18 | C13 | C2 | H6 | 40.1° | 67.8° |
| C16 | C15 | C14 | C13 | 1.0° | 1.2° |
| C16 | C15 | C14 | H9 | 180.0° | 179.9° |
| C16 | C15 | C14 | C1 | 179.6° | 176.9° |
| C2 | C13 | C14 | C15 | 178.9° | 179.4° |
| C13 | C2 | C3 | H5 | 120.3° | 120.6° |
| C13 | C2 | C3 | H6 | 120.3° | 120.5° |
| C2 | C13 | C14 | C1 | 0.4° | 2.6° |
| C13 | C2 | C3 | C4 | 48.6° | 44.3° |
| C13 | C2 | C3 | H3 | 168.7° | 75.6° |
| C13 | C2 | C3 | H4 | 71.4° | 164.2° |
| C13 | C2 | H5 | H6 | 119.2° | 118.7° |
| C2 | C13 | C18 | H7 | 0.2° | 0.1° |
| C13 | C14 | C15 | C1 | 179.4° | 178.1° |
| C13 | C14 | C1 | C11 | 129.7° | 142.2° |
| C14 | C13 | C2 | C3 | 19.5° | 9.0° |
| C13 | C14 | C1 | C4 | 10.2° | 21.9° |
| C13 | C14 | C1 | C12 | 111.1° | 96.9° |
| C14 | C13 | C2 | H5 | 100.8° | 129.6° |
| C14 | C13 | C2 | H6 | 139.8° | 111.6° |
| C14 | C13 | C18 | H7 | 179.9° | 179.5° |
| C13 | C14 | C15 | H9 | 179.0° | 178.9° |
| C15 | C14 | C1 | C11 | 51.0° | 35.9° |
| C15 | C14 | C1 | C4 | 170.4° | 156.2° |
| C15 | C14 | C1 | C12 | 68.3° | 85.1° |
| C14 | C15 | C16 | H8 | 179.8° | 179.6° |
| O1 | C11 | C1 | H12 | 120.2° | 120.5° |
| O1 | C11 | C1 | H13 | 120.2° | 120.5° |
| O1 | C11 | C1 | C14 | 84.9° | 175.4° |
| O1 | C11 | C1 | C4 | 152.5° | 55.6° |
| O1 | C11 | C1 | C12 | 35.0° | 63.8° |
| C11 | O1 | C10 | C5 | 130.3° | 109.9° |
| C11 | O1 | C10 | C9 | 49.9° | 70.0° |
| O1 | C11 | H12 | H13 | 119.4° | 119.0° |
| C11 | C1 | C14 | C4 | 119.5° | 120.3° |
| C11 | C1 | C14 | C12 | 119.2° | 121.0° |
| C1 | C11 | O1 | C10 | 92.3° | 86.7° |
| C11 | C1 | C4 | C12 | 117.1° | 120.7° |
| C11 | C1 | C4 | C3 | 162.8° | 176.0° |
| C11 | C1 | C12 | N1 | 50.8° | 65.1° |
| C11 | C1 | C4 | H1 | 76.6° | 56.6° |
| C11 | C1 | C4 | H2 | 42.3° | 64.4° |
| C11 | C1 | C12 | H10 | 171.3° | 174.9° |
| C11 | C1 | C12 | H11 | 69.6° | 54.7° |
| C1 | C11 | H12 | H13 | 119.5° | 119.0° |
| C2 | C3 | C4 | C1 | 62.1° | 69.8° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H4 | 120.0° | 119.9° |
| C2 | C3 | C4 | H1 | 177.4° | 49.7° |
| C2 | C3 | C4 | H2 | 58.5° | 170.6° |
| C2 | C3 | H3 | H4 | 119.9° | 120.2° |
| C3 | C2 | H5 | H6 | 119.1° | 118.9° |
| C14 | C1 | C4 | C12 | 121.5° | 119.8° |
| C14 | C1 | C4 | C3 | 41.4° | 56.5° |
| C14 | C1 | C12 | N1 | 171.3° | 174.8° |
| C14 | C1 | C4 | H1 | 162.0° | 63.0° |
| C14 | C1 | C4 | H2 | 79.1° | 176.0° |
| C1 | C14 | C15 | H9 | 0.4° | 3.0° |
| C14 | C1 | C12 | H10 | 68.2° | 54.8° |
| C14 | C1 | C12 | H11 | 50.9° | 65.4° |
| C14 | C1 | C11 | H12 | 154.9° | 64.1° |
| C14 | C1 | C11 | H13 | 35.3° | 54.9° |
| O1 | C10 | C5 | C9 | 179.8° | 180.0° |
| O1 | C10 | C5 | C6 | 179.5° | 178.8° |
| O1 | C10 | C9 | N1 | 2.4° | 0.7° |
| O1 | C10 | C9 | C8 | 179.5° | 178.8° |
| C10 | O1 | C11 | H12 | 27.9° | 33.8° |
| C10 | O1 | C11 | H13 | 147.5° | 152.7° |
| O1 | C10 | C5 | H14 | 0.5° | 1.2° |
| C1 | C4 | C3 | H1 | 120.6° | 119.5° |
| C1 | C4 | C3 | H2 | 120.6° | 119.6° |
| C4 | C1 | C12 | N1 | 65.4° | 55.4° |
| C1 | C4 | H1 | H2 | 118.2° | 121.1° |
| C1 | C4 | C3 | H3 | 177.9° | 50.1° |
| C1 | C4 | C3 | H4 | 57.9° | 170.2° |
| C4 | C1 | C12 | H10 | 55.1° | 64.5° |
| C4 | C1 | C12 | H11 | 174.1° | 175.3° |
| C4 | C1 | C11 | H12 | 32.3° | 176.1° |
| C4 | C1 | C11 | H13 | 87.4° | 64.9° |
| C12 | C1 | C4 | C3 | 80.1° | 63.3° |
| C1 | C12 | N1 | H10 | 120.5° | 119.9° |
| C1 | C12 | N1 | H11 | 120.5° | 119.9° |
| C1 | C12 | N1 | C9 | 79.7° | 90.1° |
| C1 | C12 | N1 | C19 | 114.2° | 98.6° |
| C12 | C1 | C4 | H1 | 40.5° | 177.2° |
| C12 | C1 | C4 | H2 | 159.3° | 56.2° |
| C1 | C12 | H10 | H11 | 118.4° | 120.2° |
| C12 | C1 | C11 | H12 | 85.2° | 56.7° |
| C12 | C1 | C11 | H13 | 155.1° | 175.6° |
| C3 | C4 | H1 | H2 | 118.2° | 120.9° |
| C4 | C3 | H3 | H4 | 120.0° | 120.1° |
| C4 | C3 | C2 | H5 | 71.7° | 165.0° |
| C4 | C3 | C2 | H6 | 168.9° | 76.2° |
| C10 | C5 | C6 | H14 | 180.0° | 180.0° |
| C10 | C5 | C6 | C7 | 0.6° | 0.2° |
| C5 | C10 | C9 | N1 | 177.3° | 179.3° |
| C5 | C10 | C9 | C8 | 0.7° | 1.2° |
| C10 | C5 | C6 | H15 | 179.4° | 179.8° |
| C6 | C5 | C10 | C9 | 0.7° | 1.1° |
| C5 | C6 | C7 | H15 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.7° |
| C5 | C6 | C7 | C23 | 179.0° | 178.8° |
| C10 | C9 | N1 | C12 | 20.9° | 72.7° |
| C10 | C9 | N1 | C8 | 178.0° | 179.5° |
| C10 | C9 | N1 | C19 | 174.6° | 115.9° |
| C10 | C9 | C8 | C7 | 0.7° | 0.3° |
| C9 | C10 | C5 | H14 | 179.3° | 178.8° |
| C10 | C9 | C8 | H16 | 179.3° | 179.7° |
| C6 | C7 | C8 | C9 | 0.6° | 0.7° |
| C6 | C7 | C8 | C23 | 178.4° | 179.5° |
| C6 | C7 | C23 | O2 | 4.6° | 161.8° |
| C6 | C7 | C23 | C33 | 120.9° | 41.8° |
| C6 | C7 | C23 | C24 | 116.7° | 78.2° |
| C7 | C6 | C5 | H14 | 179.3° | 179.8° |
| C6 | C7 | C8 | H16 | 179.4° | 179.4° |
| C12 | N1 | C9 | C19 | 164.5° | 171.4° |
| C12 | N1 | C9 | C8 | 157.1° | 106.8° |
| C12 | N1 | C19 | C20 | 91.1° | 66.8° |
| N1 | C12 | H10 | H11 | 118.5° | 120.1° |
| C12 | N1 | C19 | H17 | 148.8° | 171.9° |
| C12 | N1 | C19 | H18 | 29.0° | 54.4° |
| N1 | C9 | C8 | C7 | 177.4° | 179.7° |
| C9 | N1 | C19 | C20 | 74.7° | 103.9° |
| C9 | N1 | C12 | H10 | 159.8° | 150.0° |
| C9 | N1 | C12 | H11 | 40.8° | 29.8° |
| N1 | C9 | C8 | H16 | 2.6° | 0.2° |
| C9 | N1 | C19 | H17 | 45.4° | 17.3° |
| C9 | N1 | C19 | H18 | 165.2° | 134.8° |
| C8 | C9 | N1 | C19 | 7.4° | 64.7° |
| C9 | C8 | C7 | H16 | 180.0° | 180.0° |
| C9 | C8 | C7 | C23 | 179.1° | 178.9° |
| N1 | C19 | C20 | H17 | 120.1° | 121.3° |
| N1 | C19 | C20 | H18 | 120.1° | 121.3° |
| N1 | C19 | C20 | C31 | 77.8° | 102.6° |
| N1 | C19 | C20 | C21 | 173.7° | 157.7° |
| C19 | N1 | C12 | H10 | 6.2° | 21.4° |
| C19 | N1 | C12 | H11 | 125.3° | 141.6° |
| N1 | C19 | H17 | H18 | 119.8° | 117.6° |
| N1 | C19 | C20 | H19 | 54.1° | 27.8° |
| C8 | C7 | C23 | O2 | 173.8° | 17.7° |
| C8 | C7 | C23 | C33 | 57.5° | 137.7° |
| C8 | C7 | C23 | C24 | 64.9° | 102.2° |
| C8 | C7 | C6 | H15 | 179.4° | 179.3° |
| C7 | C23 | C33 | O5 | 89.3° | 95.0° |
| C7 | C23 | O2 | C33 | 115.2° | 120.0° |
| C7 | C23 | O2 | C24 | 121.4° | 120.1° |
| C7 | C23 | C33 | C24 | 119.8° | 120.1° |
| C7 | C23 | C33 | N3 | 90.0° | 85.0° |
| C7 | C23 | C24 | C25 | 178.0° | 114.1° |
| C23 | C7 | C6 | H15 | 1.0° | 1.2° |
| C23 | C7 | C8 | H16 | 0.9° | 1.1° |
| C7 | C23 | C24 | H44 | 57.4° | 5.8° |
| C7 | C23 | C24 | H45 | 61.6° | 126.0° |
| C7 | C23 | O2 | H46 | 102.5° | 60.1° |
| O5 | C33 | C23 | O2 | 29.9° | 145.0° |
| O5 | C33 | C23 | N3 | 179.3° | 180.0° |
| O5 | C33 | C23 | C24 | 150.9° | 25.1° |
| O5 | C33 | N3 | S1 | 1.6° | 0.0° |
| O5 | C33 | N3 | H47 | 178.4° | 180.0° |
| O2 | C23 | C33 | C24 | 121.0° | 119.9° |
| O2 | C23 | C33 | N3 | 150.8° | 35.0° |
| O2 | C23 | C24 | C25 | 59.4° | 5.9° |
| O2 | C23 | C24 | H44 | 179.9° | 125.8° |
| O2 | C23 | C24 | H45 | 61.1° | 114.0° |
| C19 | C20 | C31 | C21 | 112.9° | 114.2° |
| C19 | C20 | C31 | H19 | 131.9° | 130.4° |
| C19 | C20 | C21 | H19 | 132.1° | 129.8° |
| C19 | C20 | C31 | C30 | 135.0° | 116.3° |
| C19 | C20 | C21 | C30 | 134.8° | 117.1° |
| C19 | C20 | C21 | C22 | 109.3° | 127.0° |
| C20 | C19 | H17 | H18 | 119.8° | 117.6° |
| C19 | C20 | C31 | H20 | 18.7° | 1.1° |
| C19 | C20 | C31 | H21 | 108.8° | 128.5° |
| C19 | C20 | C21 | H24 | 21.1° | 1.9° |
| O7 | S1 | N3 | C33 | 32.6° | 48.6° |
| O7 | S1 | N3 | O6 | 118.5° | 132.9° |
| O7 | S1 | N3 | N4 | 123.4° | 113.5° |
| O7 | S1 | O6 | N4 | 117.9° | 123.0° |
| O7 | S1 | N4 | C40 | 66.5° | 23.5° |
| O7 | S1 | N4 | C39 | 170.5° | 156.4° |
| O7 | S1 | N3 | H47 | 147.4° | 131.5° |
| C23 | C33 | N3 | S1 | 177.7° | 180.0° |
| C33 | C23 | C24 | C25 | 60.4° | 125.9° |
| C33 | C23 | C24 | H44 | 60.1° | 114.2° |
| C33 | C23 | C24 | H45 | 179.1° | 5.9° |
| C33 | C23 | O2 | H46 | 12.7° | 59.9° |
| C23 | C33 | N3 | H47 | 2.3° | 0.0° |
| C24 | C23 | C33 | N3 | 29.8° | 154.9° |
| C23 | C24 | C25 | H44 | 120.5° | 120.0° |
| C23 | C24 | C25 | H45 | 120.5° | 120.0° |
| C23 | C24 | C25 | O3 | 9.2° | 34.5° |
| C23 | C24 | C25 | N2 | 169.2° | 145.5° |
| C23 | C24 | H44 | H45 | 118.5° | 120.2° |
| C24 | C23 | O2 | H46 | 136.1° | 179.9° |
| C33 | N3 | S1 | H47 | 180.0° | 179.9° |
| C33 | N3 | S1 | O6 | 151.1° | 178.5° |
| C33 | N3 | S1 | N4 | 90.8° | 64.9° |
| N3 | S1 | O6 | N4 | 121.8° | 114.1° |
| N3 | S1 | N4 | C40 | 57.6° | 90.0° |
| N3 | S1 | N4 | C39 | 65.5° | 90.1° |
| C31 | C20 | C21 | H19 | 115.2° | 115.2° |
| C20 | C31 | C30 | H20 | 116.2° | 115.2° |
| C20 | C31 | C30 | H21 | 116.2° | 115.3° |
| C31 | C20 | C21 | C30 | 22.1° | 2.1° |
| C31 | C20 | C21 | C22 | 138.0° | 118.0° |
| C31 | C20 | C19 | H17 | 162.1° | 136.2° |
| C31 | C20 | C19 | H18 | 42.3° | 18.7° |
| C20 | C31 | H20 | H21 | 130.0° | 129.9° |
| C20 | C31 | C30 | H22 | 138.4° | 117.5° |
| C20 | C31 | C30 | H23 | 93.8° | 113.2° |
| C31 | C20 | C21 | H24 | 91.6° | 113.1° |
| C20 | C21 | C30 | C22 | 117.2° | 115.7° |
| C20 | C21 | C30 | H24 | 113.5° | 114.7° |
| C20 | C21 | C22 | H24 | 130.4° | 129.1° |
| C20 | C21 | C22 | C29 | 67.9° | 114.7° |
| C20 | C21 | C22 | O4 | 173.7° | 5.2° |
| C21 | C20 | C19 | H17 | 66.2° | 36.4° |
| C21 | C20 | C19 | H18 | 53.6° | 81.1° |
| C21 | C20 | C31 | H20 | 94.1° | 113.1° |
| C21 | C20 | C31 | H21 | 138.3° | 117.4° |
| C20 | C21 | C30 | H22 | 138.3° | 117.5° |
| C20 | C21 | C30 | H23 | 93.8° | 113.2° |
| C20 | C21 | C22 | H25 | 58.4° | 125.3° |
| O6 | S1 | N4 | C40 | 176.8° | 156.5° |
| O6 | S1 | N4 | C39 | 53.7° | 23.5° |
| O6 | S1 | N3 | H47 | 28.9° | 1.4° |
| S1 | N4 | C40 | C39 | 123.8° | 180.0° |
| N4 | S1 | N3 | H47 | 89.2° | 115.0° |
| S1 | N4 | C40 | H48 | 180.0° | 90.0° |
| S1 | N4 | C40 | H49 | 60.0° | 150.0° |
| S1 | N4 | C40 | H50 | 60.0° | 30.0° |
| S1 | N4 | C39 | H51 | 180.0° | 90.0° |
| S1 | N4 | C39 | H52 | 60.0° | 150.0° |
| S1 | N4 | C39 | H53 | 60.0° | 30.0° |
| C31 | C30 | C21 | H22 | 116.1° | 115.4° |
| C31 | C30 | C21 | H23 | 116.1° | 115.4° |
| C31 | C30 | C21 | C22 | 139.4° | 117.9° |
| C30 | C31 | C20 | H19 | 93.1° | 113.3° |
| C30 | C31 | H20 | H21 | 130.0° | 129.7° |
| C31 | C30 | H22 | H23 | 130.4° | 129.7° |
| C31 | C30 | C21 | H24 | 91.2° | 112.5° |
| C24 | C25 | O3 | N2 | 178.3° | 180.0° |
| C24 | C25 | N2 | C26 | 2.3° | 179.2° |
| C24 | C25 | N2 | C32 | 179.7° | 0.9° |
| C25 | C24 | H44 | H45 | 118.5° | 120.0° |
| N4 | C40 | H48 | H49 | 120.0° | 120.0° |
| N4 | C40 | H48 | H50 | 120.0° | 120.0° |
| N4 | C40 | H49 | H50 | 120.0° | 120.0° |
| C40 | N4 | C39 | H51 | 54.7° | 90.0° |
| C40 | N4 | C39 | H52 | 174.7° | 30.0° |
| C40 | N4 | C39 | H53 | 65.3° | 150.0° |
| O3 | C25 | N2 | C26 | 179.3° | 0.8° |
| O3 | C25 | N2 | C32 | 2.0° | 179.1° |
| O3 | C25 | C24 | H44 | 129.7° | 154.5° |
| O3 | C25 | C24 | H45 | 111.3° | 85.4° |
| C39 | N4 | C40 | H48 | 56.1° | 90.0° |
| C39 | N4 | C40 | H49 | 63.9° | 30.0° |
| C39 | N4 | C40 | H50 | 176.1° | 150.0° |
| N4 | C39 | H51 | H52 | 120.0° | 120.0° |
| N4 | C39 | H51 | H53 | 120.0° | 120.0° |
| N4 | C39 | H52 | H53 | 120.0° | 120.0° |
| C30 | C21 | C22 | H24 | 129.4° | 130.0° |
| C30 | C21 | C22 | C29 | 32.2° | 144.3° |
| C30 | C21 | C22 | O4 | 86.2° | 95.7° |
| C30 | C21 | C20 | H19 | 93.1° | 113.1° |
| C21 | C30 | C31 | H20 | 94.0° | 113.1° |
| C21 | C30 | C31 | H21 | 138.5° | 117.5° |
| C21 | C30 | H22 | H23 | 130.4° | 129.6° |
| C30 | C21 | C22 | H25 | 158.6° | 24.3° |
| C21 | C22 | C29 | O4 | 115.9° | 119.9° |
| C21 | C22 | C29 | H25 | 125.4° | 120.0° |
| C21 | C22 | O4 | H25 | 114.6° | 120.0° |
| C21 | C22 | C29 | C28 | 127.5° | 149.3° |
| C21 | C22 | O4 | C34 | 152.1° | 97.0° |
| C22 | C21 | C20 | H19 | 22.8° | 2.8° |
| C22 | C21 | C30 | H22 | 104.5° | 126.7° |
| C22 | C21 | C30 | H23 | 23.4° | 2.5° |
| C21 | C22 | C29 | H35 | 52.5° | 30.7° |
| C25 | N2 | C26 | C32 | 177.1° | 180.0° |
| C25 | N2 | C26 | C27 | 113.4° | 119.1° |
| C25 | N2 | C26 | H39 | 6.9° | 121.1° |
| C25 | N2 | C26 | H40 | 126.4° | 0.7° |
| C25 | N2 | C32 | H41 | 180.0° | 90.0° |
| C25 | N2 | C32 | H42 | 60.0° | 30.0° |
| C25 | N2 | C32 | H43 | 60.0° | 150.0° |
| N2 | C25 | C24 | H44 | 48.7° | 25.5° |
| N2 | C25 | C24 | H45 | 70.3° | 94.6° |
| C29 | C22 | O4 | H25 | 119.3° | 120.1° |
| C22 | C29 | C28 | H35 | 180.0° | 179.9° |
| C22 | C29 | C28 | C27 | 179.6° | 179.9° |
| C29 | C22 | O4 | C34 | 81.7° | 143.1° |
| C29 | C22 | C21 | H24 | 161.6° | 14.4° |
| C22 | C29 | C28 | H36 | 0.4° | 0.2° |
| O4 | C22 | C29 | C28 | 116.6° | 29.3° |
| C22 | O4 | C34 | C35 | 172.8° | 175.0° |
| O4 | C22 | C21 | H24 | 43.2° | 134.3° |
| C22 | O4 | C34 | H26 | 53.3° | 55.0° |
| C22 | O4 | C34 | H27 | 67.8° | 65.0° |
| O4 | C22 | C29 | H35 | 63.4° | 150.6° |
| N2 | C26 | C27 | H39 | 120.3° | 119.7° |
| N2 | C26 | C27 | H40 | 120.3° | 119.9° |
| N2 | C26 | C27 | C28 | 74.4° | 86.8° |
| N2 | C26 | C27 | H37 | 165.2° | 33.3° |
| N2 | C26 | C27 | H38 | 46.0° | 153.2° |
| N2 | C26 | H39 | H40 | 119.1° | 120.6° |
| C26 | N2 | C32 | H41 | 2.6° | 90.0° |
| C26 | N2 | C32 | H42 | 117.4° | 150.0° |
| C26 | N2 | C32 | H43 | 122.6° | 30.0° |
| C32 | N2 | C26 | C27 | 69.5° | 60.9° |
| C32 | N2 | C26 | H39 | 170.2° | 58.8° |
| C32 | N2 | C26 | H40 | 50.7° | 179.3° |
| N2 | C32 | H41 | H42 | 120.0° | 120.0° |
| N2 | C32 | H41 | H43 | 120.0° | 120.0° |
| N2 | C32 | H42 | H43 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 122.3° | 147.9° |
| C26 | C27 | C28 | H37 | 120.4° | 120.0° |
| C26 | C27 | C28 | H38 | 120.4° | 120.0° |
| C26 | C27 | C28 | H36 | 57.8° | 32.2° |
| C26 | C27 | H37 | H38 | 118.9° | 120.0° |
| C27 | C26 | H39 | H40 | 119.1° | 120.4° |
| C29 | C28 | C27 | H36 | 180.0° | 179.9° |
| C28 | C29 | C22 | H25 | 2.1° | 90.7° |
| C29 | C28 | C27 | H37 | 1.9° | 27.9° |
| C29 | C28 | C27 | H38 | 117.4° | 92.1° |
| C27 | C28 | C29 | H35 | 0.4° | 0.0° |
| C28 | C27 | H37 | H38 | 118.9° | 119.9° |
| C28 | C27 | C26 | H39 | 45.9° | 153.5° |
| C28 | C27 | C26 | H40 | 165.4° | 33.2° |
| O4 | C34 | C35 | H26 | 119.5° | 120.0° |
| O4 | C34 | C35 | H27 | 119.4° | 120.0° |
| O4 | C34 | C35 | N5 | 62.9° | 65.0° |
| C34 | O4 | C22 | H25 | 37.5° | 23.1° |
| O4 | C34 | H26 | H27 | 121.6° | 120.0° |
| O4 | C34 | C35 | H28 | 57.1° | 174.9° |
| O4 | C34 | C35 | H29 | 177.1° | 55.1° |
| F2 | C37 | C36 | N5 | 97.9° | 87.6° |
| F2 | C37 | C36 | C38 | 117.3° | 113.6° |
| F2 | C37 | C36 | F1 | 127.5° | 132.7° |
| F2 | C37 | C38 | N5 | 93.5° | 87.6° |
| F2 | C37 | C38 | F1 | 133.8° | 132.7° |
| F2 | C37 | C36 | H31 | 18.1° | 27.2° |
| F2 | C37 | C36 | H32 | 146.0° | 157.6° |
| F2 | C37 | C38 | H33 | 150.3° | 157.7° |
| F2 | C37 | C38 | H34 | 22.6° | 27.2° |
| C34 | C35 | N5 | C36 | 86.8° | 94.0° |
| C34 | C35 | N5 | H28 | 120.1° | 120.0° |
| C34 | C35 | N5 | H29 | 120.0° | 120.0° |
| C34 | C35 | N5 | C38 | 173.4° | 170.0° |
| C35 | C34 | H26 | H27 | 121.6° | 119.9° |
| C34 | C35 | H28 | H29 | 119.9° | 119.9° |
| N5 | C36 | C37 | H31 | 116.1° | 114.8° |
| N5 | C36 | C37 | H32 | 116.1° | 114.7° |
| C36 | N5 | C35 | C38 | 99.8° | 96.0° |
| N5 | C36 | C37 | C38 | 19.3° | 26.0° |
| N5 | C36 | C37 | F1 | 134.6° | 139.7° |
| C36 | N5 | C35 | H28 | 33.2° | 26.0° |
| C36 | N5 | C35 | H29 | 153.2° | 146.0° |
| N5 | C36 | H31 | H32 | 130.3° | 130.8° |
| C36 | N5 | C38 | H33 | 96.2° | 87.8° |
| C36 | N5 | C38 | H34 | 136.1° | 141.8° |
| C37 | C36 | N5 | C35 | 133.2° | 138.7° |
| C36 | C37 | C38 | F1 | 113.4° | 113.7° |
| C37 | C36 | H31 | H32 | 130.4° | 130.8° |
| C36 | C37 | C38 | H33 | 96.8° | 88.7° |
| C36 | C37 | C38 | H34 | 135.5° | 140.8° |
| C35 | N5 | C38 | C37 | 134.7° | 138.7° |
| N5 | C35 | C34 | H26 | 177.6° | 55.0° |
| N5 | C35 | C34 | H27 | 56.5° | 175.0° |
| N5 | C35 | H28 | H29 | 119.9° | 120.0° |
| C35 | N5 | C36 | H31 | 110.7° | 106.5° |
| C35 | N5 | C36 | H32 | 17.1° | 24.0° |
| C35 | N5 | C38 | H33 | 18.5° | 23.9° |
| C35 | N5 | C38 | H34 | 109.2° | 106.5° |
| N5 | C38 | C37 | H33 | 116.1° | 114.7° |
| N5 | C38 | C37 | H34 | 116.2° | 114.8° |
| N5 | C38 | C37 | F1 | 132.7° | 139.7° |
| C38 | N5 | C35 | H28 | 66.6° | 70.0° |
| C38 | N5 | C35 | H29 | 53.4° | 50.0° |
| C38 | N5 | C36 | H31 | 136.0° | 141.8° |
| C38 | N5 | C36 | H32 | 96.3° | 87.8° |
| N5 | C38 | H33 | H34 | 130.2° | 130.7° |
| C38 | C37 | C36 | H31 | 135.4° | 140.8° |
| C38 | C37 | C36 | H32 | 96.8° | 88.7° |
| C37 | C38 | H33 | H34 | 130.2° | 130.9° |
| F1 | C37 | C36 | H31 | 109.3° | 105.5° |
| F1 | C37 | C36 | H32 | 18.5° | 24.9° |
| F1 | C37 | C38 | H33 | 16.6° | 25.0° |
| F1 | C37 | C38 | H34 | 111.1° | 105.5° |
| H1 | C4 | C3 | H3 | 57.3° | 169.6° |
| H1 | C4 | C3 | H4 | 62.7° | 70.3° |
| H2 | C4 | C3 | H3 | 61.5° | 69.4° |
| H2 | C4 | C3 | H4 | 178.5° | 50.7° |
| H3 | C3 | C2 | H5 | 48.3° | 45.1° |
| H3 | C3 | C2 | H6 | 71.0° | 163.9° |
| H4 | C3 | C2 | H5 | 168.3° | 75.1° |
| H4 | C3 | C2 | H6 | 48.9° | 43.7° |
| H8 | C16 | C15 | H9 | 0.2° | 0.3° |
| H14 | C5 | C6 | H15 | 0.6° | 0.2° |
| H17 | C19 | C20 | H19 | 66.0° | 93.4° |
| H18 | C19 | C20 | H19 | 174.2° | 149.1° |
| H19 | C20 | C31 | H20 | 150.6° | 131.5° |
| H19 | C20 | C31 | H21 | 23.1° | 2.0° |
| H19 | C20 | C21 | H24 | 153.2° | 131.7° |
| H20 | C31 | C30 | H22 | 22.1° | 2.3° |
| H20 | C31 | C30 | H23 | 150.0° | 131.6° |
| H21 | C31 | C30 | H22 | 105.4° | 127.2° |
| H21 | C31 | C30 | H23 | 22.4° | 2.1° |
| H22 | C30 | C21 | H24 | 24.8° | 2.9° |
| H23 | C30 | C21 | H24 | 152.7° | 132.1° |
| H24 | C21 | C22 | H25 | 72.0° | 105.7° |
| H25 | C22 | C29 | H35 | 177.9° | 89.3° |
| H26 | C34 | C35 | H28 | 62.4° | 65.0° |
| H26 | C34 | C35 | H29 | 57.6° | 175.1° |
| H27 | C34 | C35 | H28 | 176.5° | 54.9° |
| H27 | C34 | C35 | H29 | 63.5° | 65.0° |
| H35 | C29 | C28 | H36 | 179.6° | 179.9° |
| H36 | C28 | C27 | H37 | 178.1° | 152.2° |
| H36 | C28 | C27 | H38 | 62.6° | 87.8° |
| H37 | C27 | C26 | H39 | 74.5° | 86.4° |
| H37 | C27 | C26 | H40 | 45.0° | 153.2° |
| H38 | C27 | C26 | H39 | 166.3° | 33.5° |
| H38 | C27 | C26 | H40 | 74.3° | 86.8° |
| H41 | C32 | H42 | H43 | 120.0° | 120.0° |
| H48 | C40 | H49 | H50 | 120.0° | 119.9° |
| H51 | C39 | H52 | H53 | 120.0° | 120.0° |
