A1IFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C44 | doub | 1.21Å | 1.26Å | |
| O10 | C44 | sing | 1.34Å | 1.25Å | |
| C44 | C43 | sing | 1.51Å | 1.52Å | |
| O9 | C39 | doub | 1.21Å | 1.25Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | C4 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.51Å | 1.53Å | |
| C39 | O8 | sing | 1.34Å | 1.26Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C42 | C3 | sing | 1.53Å | 1.55Å | |
| O1 | C21 | doub | 1.21Å | 1.26Å | |
| C37 | C8 | sing | 1.53Å | 1.55Å | |
| C4 | C41 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.55Å | |
| C4 | C5 | sing | 1.52Å | 1.52Å | |
| C3 | C2 | sing | 1.52Å | 1.53Å | |
| C21 | O | sing | 1.34Å | 1.26Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.40Å | 1.35Å | |
| C5 | N | doub | 1.31Å | 1.35Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.57Å | |
| C6 | C7 | doub | 1.35Å | 1.38Å | |
| C2 | N | sing | 1.33Å | 1.35Å | |
| C2 | C1 | doub | 1.36Å | 1.38Å | |
| C34 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | N4 | sing | 1.36Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| N4 | C10 | sing | 1.36Å | 1.37Å | |
| C1 | C17 | sing | 1.41Å | 1.39Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C35 | sing | 1.53Å | 1.57Å | |
| C10 | C11 | doub | 1.35Å | 1.43Å | |
| C19 | C16 | sing | 1.53Å | 1.54Å | |
| C32 | C13 | sing | 1.53Å | 1.52Å | |
| C17 | N2 | doub | 1.29Å | 1.30Å | |
| C17 | C16 | sing | 1.51Å | 1.55Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| N5 | C36 | sing | 1.35Å | 1.33Å | |
| N2 | C14 | sing | 1.46Å | 1.47Å | |
| O4 | C28 | doub | 1.21Å | 1.26Å | |
| C36 | O7 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.54Å | 1.56Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| N1 | C13 | sing | 1.47Å | 1.49Å | |
| N1 | C12 | doub | 1.29Å | 1.29Å | |
| C11 | C12 | sing | 1.41Å | 1.37Å | |
| C11 | C33 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C24 | sing | 1.55Å | 1.57Å | |
| C12 | C25 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C28 | O5 | sing | 1.34Å | 1.26Å | |
| C28 | C27 | sing | 1.51Å | 1.53Å | |
| C15 | C22 | sing | 1.53Å | 1.55Å | |
| O2 | C23 | doub | 1.21Å | 1.24Å | |
| C25 | C24 | sing | 1.54Å | 1.56Å | |
| C24 | C29 | sing | 1.53Å | 1.54Å | |
| C24 | C30 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C23 | O3 | sing | 1.34Å | 1.25Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| N3 | C31 | sing | 1.35Å | 1.33Å | |
| C31 | O6 | doub | 1.21Å | 1.24Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.10Å | 1.08Å | |
| O10 | H6 | sing | 0.97Å | 0.95Å | |
| C43 | H7 | sing | 1.09Å | 1.10Å | |
| C43 | H8 | sing | 1.09Å | 1.10Å | |
| C42 | H9 | sing | 1.09Å | 1.10Å | |
| C42 | H10 | sing | 1.09Å | 1.10Å | |
| C40 | H11 | sing | 1.09Å | 1.10Å | |
| C40 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| O8 | H33 | sing | 0.97Å | 0.95Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| N3 | H49 | sing | 0.97Å | 1.00Å | |
| N3 | H50 | sing | 0.97Å | 1.00Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C14 | H56 | sing | 1.09Å | 1.10Å | |
| C | H58 | sing | 1.09Å | 1.10Å | |
| C | H59 | sing | 1.09Å | 1.10Å | |
| C | H60 | sing | 1.09Å | 1.10Å | |
| C18 | H61 | sing | 1.09Å | 1.10Å | |
| C18 | H62 | sing | 1.09Å | 1.10Å | |
| C18 | H63 | sing | 1.09Å | 1.10Å | |
| C15 | H64 | sing | 1.09Å | 1.10Å | |
| C22 | H65 | sing | 1.09Å | 1.10Å | |
| C22 | H66 | sing | 1.09Å | 1.10Å | |
| O3 | H67 | sing | 0.97Å | 0.95Å | |
| C19 | H68 | sing | 1.09Å | 1.10Å | |
| C19 | H69 | sing | 1.09Å | 1.10Å | |
| C20 | H70 | sing | 1.09Å | 1.10Å | |
| C20 | H71 | sing | 1.09Å | 1.10Å | |
| O | H72 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C44 | O10 | 124.2° | 120.0° |
| O11 | C44 | C43 | 118.9° | 120.0° |
| O10 | C44 | C43 | 116.9° | 120.0° |
| C44 | O10 | H6 | 109.5° | 117.0° |
| C44 | C43 | C42 | 107.4° | 109.5° |
| C44 | C43 | H7 | 110.0° | 109.4° |
| C44 | C43 | H8 | 110.0° | 109.5° |
| O9 | C39 | C38 | 117.5° | 119.9° |
| O9 | C39 | O8 | 123.1° | 120.0° |
| C43 | C42 | C3 | 119.1° | 109.5° |
| C42 | C43 | H7 | 110.0° | 109.5° |
| C42 | C43 | H8 | 110.0° | 109.5° |
| C43 | C42 | H9 | 107.0° | 109.4° |
| C43 | C42 | H10 | 107.0° | 109.4° |
| C40 | C4 | C41 | 109.0° | 110.6° |
| C40 | C4 | C3 | 119.4° | 110.7° |
| C40 | C4 | C5 | 110.0° | 110.7° |
| C4 | C40 | H11 | 109.5° | 109.4° |
| C4 | C40 | H12 | 109.5° | 109.4° |
| C4 | C40 | H13 | 109.5° | 109.5° |
| C38 | C39 | O8 | 119.4° | 120.0° |
| C39 | C38 | C37 | 117.2° | 109.5° |
| C39 | C38 | H31 | 107.5° | 109.5° |
| C39 | C38 | H32 | 107.5° | 109.5° |
| C39 | O8 | H33 | 109.5° | 117.0° |
| C38 | C37 | C8 | 116.6° | 109.5° |
| C38 | C37 | H29 | 107.7° | 109.5° |
| C38 | C37 | H30 | 107.7° | 109.4° |
| C37 | C38 | H31 | 107.5° | 109.5° |
| C37 | C38 | H32 | 107.5° | 109.5° |
| C42 | C3 | C4 | 111.5° | 110.8° |
| C42 | C3 | C2 | 122.9° | 110.7° |
| C42 | C3 | H2 | 105.3° | 110.7° |
| C3 | C42 | H9 | 107.0° | 109.5° |
| C3 | C42 | H10 | 107.0° | 109.5° |
| O1 | C21 | O | 125.5° | 120.0° |
| O1 | C21 | C20 | 117.8° | 120.0° |
| C37 | C8 | C7 | 110.4° | 110.5° |
| C37 | C8 | C9 | 116.9° | 110.5° |
| C37 | C8 | H28 | 109.1° | 110.5° |
| C8 | C37 | H29 | 107.7° | 109.5° |
| C8 | C37 | H30 | 107.7° | 109.5° |
| C41 | C4 | C3 | 107.5° | 110.7° |
| C41 | C4 | C5 | 111.9° | 110.7° |
| C4 | C41 | H14 | 109.5° | 109.5° |
| C4 | C41 | H15 | 109.5° | 109.4° |
| C4 | C41 | H16 | 109.5° | 109.5° |
| C3 | C4 | C5 | 98.7° | 103.2° |
| C4 | C3 | C2 | 105.0° | 102.9° |
| C4 | C3 | H2 | 105.3° | 110.7° |
| C4 | C5 | C6 | 120.8° | 122.6° |
| C4 | C5 | N | 114.0° | 109.1° |
| C3 | C2 | N | 110.2° | 109.0° |
| C3 | C2 | C1 | 126.4° | 123.2° |
| C2 | C3 | H2 | 105.5° | 110.8° |
| O | C21 | C20 | 116.7° | 120.0° |
| C21 | O | H72 | 109.5° | 117.0° |
| C21 | C20 | C19 | 112.9° | 109.4° |
| C21 | C20 | H70 | 108.6° | 109.5° |
| C21 | C20 | H71 | 108.6° | 109.5° |
| C6 | C5 | N | 125.1° | 128.2° |
| C5 | C6 | C7 | 126.0° | 124.3° |
| C5 | C6 | H4 | 117.0° | 117.6° |
| C5 | N | C2 | 108.6° | 115.7° |
| C7 | C8 | C9 | 101.5° | 104.2° |
| C8 | C7 | C6 | 124.3° | 123.4° |
| C8 | C7 | N4 | 109.2° | 108.7° |
| C7 | C8 | H28 | 109.6° | 110.5° |
| C8 | C9 | C34 | 113.0° | 110.5° |
| C8 | C9 | C10 | 102.5° | 104.0° |
| C8 | C9 | C35 | 106.5° | 110.5° |
| C9 | C8 | H28 | 108.9° | 110.5° |
| C6 | C7 | N4 | 126.5° | 128.0° |
| C7 | C6 | H4 | 117.0° | 118.0° |
| N | C2 | C1 | 123.0° | 127.8° |
| C2 | C1 | C | 117.6° | 118.5° |
| C2 | C1 | C17 | 123.2° | 121.7° |
| C34 | C9 | C10 | 110.0° | 110.5° |
| C34 | C9 | C35 | 109.8° | 110.5° |
| C9 | C34 | H21 | 109.5° | 109.4° |
| C9 | C34 | H22 | 109.4° | 109.5° |
| C9 | C34 | H23 | 109.4° | 109.5° |
| C7 | N4 | C10 | 107.1° | 113.8° |
| C7 | N4 | H20 | 126.5° | 123.1° |
| C20 | C19 | C16 | 115.4° | 109.4° |
| C20 | C19 | H68 | 107.9° | 109.5° |
| C20 | C19 | H69 | 108.0° | 109.5° |
| C19 | C20 | H70 | 108.6° | 109.4° |
| C19 | C20 | H71 | 108.6° | 109.5° |
| C | C1 | C17 | 119.2° | 119.8° |
| C1 | C | H58 | 109.5° | 109.4° |
| C1 | C | H59 | 109.5° | 109.6° |
| C1 | C | H60 | 109.5° | 109.4° |
| N4 | C10 | C9 | 107.2° | 109.0° |
| N4 | C10 | C11 | 121.3° | 127.6° |
| C10 | N4 | H20 | 126.4° | 123.1° |
| C1 | C17 | N2 | 118.2° | 125.4° |
| C1 | C17 | C16 | 130.4° | 123.3° |
| C10 | C9 | C35 | 115.0° | 110.6° |
| C9 | C10 | C11 | 131.3° | 123.4° |
| C9 | C35 | C36 | 118.2° | 109.4° |
| C9 | C35 | H24 | 107.2° | 109.5° |
| C9 | C35 | H25 | 107.2° | 109.4° |
| C10 | C11 | C12 | 121.3° | 121.5° |
| C10 | C11 | C33 | 120.9° | 118.5° |
| C19 | C16 | C17 | 111.4° | 110.3° |
| C19 | C16 | C15 | 109.5° | 110.4° |
| C19 | C16 | C18 | 108.7° | 110.3° |
| C16 | C19 | H68 | 108.0° | 109.4° |
| C16 | C19 | H69 | 108.0° | 109.5° |
| C32 | C13 | N1 | 105.0° | 110.2° |
| C32 | C13 | C14 | 110.4° | 110.9° |
| C32 | C13 | C24 | 116.9° | 110.0° |
| C13 | C32 | H53 | 109.5° | 109.4° |
| C13 | C32 | H54 | 109.4° | 109.5° |
| C13 | C32 | H55 | 109.5° | 109.4° |
| N2 | C17 | C16 | 111.4° | 111.2° |
| C17 | N2 | C14 | 110.8° | 112.5° |
| C17 | C16 | C15 | 103.2° | 105.2° |
| C17 | C16 | C18 | 111.5° | 110.3° |
| C35 | C36 | N5 | 117.2° | 120.0° |
| C35 | C36 | O7 | 120.7° | 120.0° |
| C36 | C35 | H24 | 107.2° | 109.4° |
| C36 | C35 | H25 | 107.3° | 109.5° |
| N5 | C36 | O7 | 122.1° | 120.0° |
| C36 | N5 | H26 | 120.0° | 120.0° |
| C36 | N5 | H27 | 120.0° | 120.0° |
| N2 | C14 | C13 | 103.3° | 110.1° |
| N2 | C14 | C15 | 106.8° | 106.5° |
| N2 | C14 | H56 | 109.6° | 109.9° |
| O4 | C28 | O5 | 124.0° | 120.0° |
| O4 | C28 | C27 | 117.8° | 120.0° |
| C15 | C16 | C18 | 112.5° | 110.3° |
| C16 | C15 | C14 | 101.4° | 102.2° |
| C16 | C15 | C22 | 117.6° | 110.9° |
| C16 | C15 | H64 | 106.2° | 110.8° |
| C16 | C18 | H61 | 109.5° | 109.5° |
| C16 | C18 | H62 | 109.4° | 109.4° |
| C16 | C18 | H63 | 109.5° | 109.5° |
| C13 | N1 | C12 | 113.1° | 112.7° |
| N1 | C13 | C14 | 105.6° | 109.5° |
| N1 | C13 | C24 | 101.3° | 106.0° |
| N1 | C12 | C11 | 124.8° | 124.8° |
| N1 | C12 | C25 | 109.8° | 111.0° |
| C12 | C11 | C33 | 117.8° | 120.0° |
| C11 | C12 | C25 | 125.4° | 124.2° |
| C11 | C33 | H34 | 109.5° | 109.5° |
| C11 | C33 | H35 | 109.4° | 109.5° |
| C11 | C33 | H36 | 109.5° | 109.5° |
| C14 | C13 | C24 | 115.9° | 110.2° |
| C13 | C14 | C15 | 119.2° | 109.9° |
| C13 | C14 | H56 | 108.9° | 111.1° |
| C13 | C24 | C25 | 99.7° | 102.0° |
| C13 | C24 | C29 | 114.7° | 110.9° |
| C13 | C24 | C30 | 111.7° | 111.0° |
| C12 | C25 | C26 | 111.7° | 110.3° |
| C12 | C25 | C24 | 103.2° | 105.0° |
| C12 | C25 | H38 | 107.9° | 110.4° |
| C25 | C26 | C27 | 113.2° | 109.5° |
| C26 | C25 | C24 | 118.7° | 110.3° |
| C26 | C25 | H38 | 107.5° | 110.3° |
| C25 | C26 | H39 | 108.5° | 109.5° |
| C25 | C26 | H40 | 108.5° | 109.5° |
| C26 | C27 | C28 | 116.2° | 109.5° |
| C27 | C26 | H39 | 108.6° | 109.4° |
| C27 | C26 | H40 | 108.6° | 109.5° |
| C26 | C27 | H41 | 107.8° | 109.4° |
| C26 | C27 | H42 | 107.8° | 109.5° |
| C14 | C15 | C22 | 118.0° | 110.9° |
| C15 | C14 | H56 | 108.7° | 109.3° |
| C14 | C15 | H64 | 106.4° | 110.9° |
| O5 | C28 | C27 | 118.3° | 120.0° |
| C28 | O5 | H43 | 109.5° | 117.0° |
| C28 | C27 | H41 | 107.8° | 109.4° |
| C28 | C27 | H42 | 107.8° | 109.5° |
| C15 | C22 | C23 | 114.6° | 109.5° |
| C22 | C15 | H64 | 106.2° | 110.9° |
| C15 | C22 | H65 | 108.2° | 109.5° |
| C15 | C22 | H66 | 108.2° | 109.5° |
| O2 | C23 | C22 | 119.5° | 120.0° |
| O2 | C23 | O3 | 120.1° | 120.0° |
| C25 | C24 | C29 | 113.2° | 110.9° |
| C25 | C24 | C30 | 106.7° | 110.9° |
| C24 | C25 | H38 | 107.4° | 110.3° |
| C29 | C24 | C30 | 110.2° | 110.8° |
| C24 | C29 | H44 | 109.5° | 109.5° |
| C24 | C29 | H45 | 109.4° | 109.5° |
| C24 | C29 | H46 | 109.5° | 109.5° |
| C24 | C30 | C31 | 116.9° | 109.5° |
| C24 | C30 | H47 | 107.6° | 109.5° |
| C24 | C30 | H48 | 107.6° | 109.5° |
| C22 | C23 | O3 | 120.3° | 120.0° |
| C23 | C22 | H65 | 108.1° | 109.5° |
| C23 | C22 | H66 | 108.2° | 109.5° |
| C23 | O3 | H67 | 109.5° | 116.9° |
| C30 | C31 | N3 | 118.3° | 120.0° |
| C30 | C31 | O6 | 120.4° | 119.9° |
| C31 | C30 | H47 | 107.6° | 109.4° |
| C31 | C30 | H48 | 107.6° | 109.5° |
| N3 | C31 | O6 | 121.3° | 120.0° |
| C31 | N3 | H49 | 120.0° | 120.0° |
| C31 | N3 | H50 | 120.0° | 120.0° |
| H7 | C43 | H8 | 109.4° | 109.4° |
| H9 | C42 | H10 | 109.5° | 109.5° |
| H11 | C40 | H12 | 109.5° | 109.4° |
| H11 | C40 | H13 | 109.5° | 109.5° |
| H12 | C40 | H13 | 109.5° | 109.5° |
| H14 | C41 | H15 | 109.4° | 109.5° |
| H14 | C41 | H16 | 109.5° | 109.4° |
| H15 | C41 | H16 | 109.5° | 109.5° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H21 | C34 | H23 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | N5 | H27 | 120.0° | 120.0° |
| H29 | C37 | H30 | 109.4° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.4° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H36 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
| H39 | C26 | H40 | 109.4° | 109.5° |
| H41 | C27 | H42 | 109.5° | 109.4° |
| H44 | C29 | H45 | 109.5° | 109.4° |
| H44 | C29 | H46 | 109.5° | 109.5° |
| H45 | C29 | H46 | 109.5° | 109.4° |
| H47 | C30 | H48 | 109.5° | 109.5° |
| H49 | N3 | H50 | 120.0° | 120.0° |
| H53 | C32 | H54 | 109.5° | 109.5° |
| H53 | C32 | H55 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| H58 | C | H59 | 109.5° | 109.5° |
| H58 | C | H60 | 109.5° | 109.5° |
| H59 | C | H60 | 109.5° | 109.5° |
| H61 | C18 | H62 | 109.5° | 109.5° |
| H61 | C18 | H63 | 109.5° | 109.5° |
| H62 | C18 | H63 | 109.4° | 109.5° |
| H65 | C22 | H66 | 109.5° | 109.4° |
| H68 | C19 | H69 | 109.5° | 109.5° |
| H70 | C20 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C44 | O10 | C43 | 178.3° | 180.0° |
| O11 | C44 | C43 | C42 | 127.1° | 5.2° |
| O11 | C44 | O10 | H6 | 0.0° | 0.0° |
| O11 | C44 | C43 | H7 | 7.4° | 114.9° |
| O11 | C44 | C43 | H8 | 113.2° | 125.2° |
| O10 | C44 | C43 | C42 | 51.4° | 174.8° |
| O10 | C44 | C43 | H7 | 171.1° | 65.2° |
| O10 | C44 | C43 | H8 | 68.3° | 54.8° |
| C44 | C43 | C42 | H7 | 119.7° | 120.0° |
| C44 | C43 | C42 | H8 | 119.7° | 120.0° |
| C44 | C43 | C42 | C3 | 160.7° | 179.8° |
| C43 | C44 | O10 | H6 | 178.3° | 180.0° |
| C44 | C43 | H7 | H8 | 120.9° | 120.0° |
| C44 | C43 | C42 | H9 | 77.9° | 59.8° |
| C44 | C43 | C42 | H10 | 39.4° | 60.2° |
| O9 | C39 | C38 | O8 | 179.9° | 179.9° |
| O9 | C39 | C38 | C37 | 174.3° | 0.0° |
| O9 | C39 | C38 | H31 | 53.2° | 120.1° |
| O9 | C39 | C38 | H32 | 64.6° | 120.0° |
| O9 | C39 | O8 | H33 | 0.0° | 0.0° |
| C43 | C42 | C3 | H9 | 121.4° | 120.0° |
| C43 | C42 | C3 | H10 | 121.4° | 120.0° |
| C43 | C42 | C3 | C4 | 86.9° | 87.0° |
| C43 | C42 | C3 | C2 | 39.0° | 159.5° |
| C43 | C42 | C3 | H2 | 159.4° | 36.2° |
| C42 | C43 | H7 | H8 | 120.9° | 120.0° |
| C43 | C42 | H9 | H10 | 115.7° | 120.0° |
| C40 | C4 | C3 | C42 | 26.7° | 0.7° |
| C40 | C4 | C41 | C3 | 130.8° | 123.1° |
| C40 | C4 | C41 | C5 | 121.9° | 123.1° |
| C40 | C4 | C3 | C5 | 118.9° | 118.5° |
| C40 | C4 | C3 | C2 | 108.5° | 117.7° |
| C40 | C4 | C5 | C6 | 73.0° | 60.1° |
| C40 | C4 | C5 | N | 107.3° | 119.0° |
| C40 | C4 | C3 | H2 | 140.4° | 123.8° |
| C4 | C40 | H11 | H12 | 120.0° | 119.9° |
| C4 | C40 | H11 | H13 | 120.0° | 120.0° |
| C4 | C40 | H12 | H13 | 120.0° | 120.0° |
| C40 | C4 | C41 | H14 | 180.0° | 63.1° |
| C40 | C4 | C41 | H15 | 60.0° | 56.9° |
| C40 | C4 | C41 | H16 | 60.0° | 176.9° |
| C39 | C38 | C37 | H31 | 121.1° | 120.0° |
| C39 | C38 | C37 | H32 | 121.1° | 120.0° |
| C39 | C38 | C37 | C8 | 76.0° | 174.2° |
| C39 | C38 | C37 | H29 | 45.1° | 65.8° |
| C39 | C38 | C37 | H30 | 163.0° | 54.2° |
| C39 | C38 | H31 | H32 | 116.5° | 120.0° |
| C38 | C39 | O8 | H33 | 179.8° | 180.0° |
| O8 | C39 | C38 | C37 | 5.6° | 180.0° |
| O8 | C39 | C38 | H31 | 126.7° | 60.0° |
| O8 | C39 | C38 | H32 | 115.5° | 60.0° |
| C38 | C37 | C8 | H29 | 121.1° | 120.0° |
| C38 | C37 | C8 | H30 | 121.0° | 120.0° |
| C38 | C37 | C8 | C7 | 70.5° | 69.8° |
| C38 | C37 | C8 | C9 | 174.2° | 175.4° |
| C38 | C37 | C8 | H28 | 50.1° | 52.8° |
| C38 | C37 | H29 | H30 | 116.8° | 120.0° |
| C37 | C38 | H31 | H32 | 116.5° | 120.0° |
| C42 | C3 | C4 | C41 | 98.0° | 122.4° |
| C42 | C3 | C4 | C2 | 135.2° | 118.4° |
| C42 | C3 | C4 | H2 | 113.7° | 123.2° |
| C42 | C3 | C4 | C5 | 145.7° | 119.2° |
| C42 | C3 | C2 | H2 | 120.3° | 123.2° |
| C42 | C3 | C2 | N | 129.5° | 120.2° |
| C42 | C3 | C2 | C1 | 57.5° | 60.9° |
| C3 | C42 | C43 | H7 | 41.1° | 59.8° |
| C3 | C42 | C43 | H8 | 79.6° | 60.2° |
| C3 | C42 | H9 | H10 | 115.6° | 120.1° |
| O1 | C21 | O | C20 | 178.6° | 180.0° |
| O1 | C21 | C20 | C19 | 126.6° | 5.1° |
| O1 | C21 | C20 | H70 | 6.0° | 114.8° |
| O1 | C21 | C20 | H71 | 112.9° | 125.1° |
| O1 | C21 | O | H72 | 0.0° | 0.0° |
| C37 | C8 | C7 | C9 | 124.6° | 118.7° |
| C37 | C8 | C7 | H28 | 120.2° | 122.6° |
| C37 | C8 | C9 | H28 | 124.2° | 122.6° |
| C37 | C8 | C7 | C6 | 78.2° | 65.5° |
| C37 | C8 | C9 | C34 | 1.6° | 1.5° |
| C37 | C8 | C7 | N4 | 103.6° | 114.6° |
| C37 | C8 | C9 | C10 | 119.9° | 117.1° |
| C37 | C8 | C9 | C35 | 119.0° | 124.2° |
| C8 | C37 | H29 | H30 | 116.8° | 120.0° |
| C8 | C37 | C38 | H31 | 162.9° | 54.1° |
| C8 | C37 | C38 | H32 | 45.1° | 65.8° |
| C41 | C4 | C3 | C5 | 116.4° | 118.5° |
| C41 | C4 | C3 | C2 | 126.8° | 119.2° |
| C41 | C4 | C5 | C6 | 48.2° | 62.9° |
| C41 | C4 | C5 | N | 131.4° | 118.0° |
| C41 | C4 | C3 | H2 | 15.7° | 0.8° |
| C41 | C4 | C40 | H11 | 180.0° | 62.6° |
| C41 | C4 | C40 | H12 | 60.0° | 177.5° |
| C41 | C4 | C40 | H13 | 60.0° | 57.5° |
| C4 | C41 | H14 | H15 | 120.0° | 120.0° |
| C4 | C41 | H14 | H16 | 120.0° | 120.0° |
| C4 | C41 | H15 | H16 | 120.0° | 120.0° |
| C4 | C3 | C2 | H2 | 110.9° | 118.4° |
| C3 | C4 | C5 | C6 | 161.2° | 178.6° |
| C3 | C4 | C5 | N | 18.5° | 0.5° |
| C4 | C3 | C2 | N | 0.8° | 1.8° |
| C4 | C3 | C2 | C1 | 173.8° | 179.3° |
| C4 | C3 | C42 | H9 | 151.7° | 153.1° |
| C4 | C3 | C42 | H10 | 34.5° | 33.0° |
| C3 | C4 | C40 | H11 | 56.0° | 60.5° |
| C3 | C4 | C40 | H12 | 176.0° | 59.4° |
| C3 | C4 | C40 | H13 | 64.0° | 179.5° |
| C3 | C4 | C41 | H14 | 49.2° | 60.0° |
| C3 | C4 | C41 | H15 | 70.8° | 180.0° |
| C3 | C4 | C41 | H16 | 169.2° | 60.0° |
| C5 | C4 | C3 | C2 | 10.4° | 0.8° |
| C4 | C5 | C6 | N | 179.6° | 178.9° |
| C4 | C5 | C6 | C7 | 138.5° | 177.9° |
| C4 | C5 | N | C2 | 19.5° | 1.8° |
| C5 | C4 | C3 | H2 | 100.7° | 117.7° |
| C4 | C5 | C6 | H4 | 41.5° | 2.4° |
| C5 | C4 | C40 | H11 | 57.0° | 174.3° |
| C5 | C4 | C40 | H12 | 63.0° | 54.4° |
| C5 | C4 | C40 | H13 | 177.0° | 65.6° |
| C5 | C4 | C41 | H14 | 58.1° | 173.9° |
| C5 | C4 | C41 | H15 | 178.1° | 66.1° |
| C5 | C4 | C41 | H16 | 61.9° | 53.8° |
| C3 | C2 | N | C5 | 11.0° | 2.3° |
| C3 | C2 | N | C1 | 173.3° | 178.8° |
| C3 | C2 | C1 | C | 3.3° | 4.1° |
| C3 | C2 | C1 | C17 | 176.2° | 175.2° |
| C2 | C3 | C42 | H9 | 82.4° | 39.5° |
| C2 | C3 | C42 | H10 | 160.4° | 80.5° |
| O | C21 | C20 | C19 | 54.7° | 174.9° |
| O | C21 | C20 | H70 | 175.3° | 65.2° |
| O | C21 | C20 | H71 | 65.8° | 54.9° |
| C21 | C20 | C19 | H70 | 120.5° | 120.0° |
| C21 | C20 | C19 | H71 | 120.5° | 120.0° |
| C21 | C20 | C19 | C16 | 176.1° | 174.9° |
| C21 | C20 | C19 | H68 | 63.1° | 55.0° |
| C21 | C20 | C19 | H69 | 55.2° | 65.0° |
| C21 | C20 | H70 | H71 | 118.4° | 120.1° |
| C20 | C21 | O | H72 | 178.6° | 180.0° |
| C5 | C6 | C7 | C8 | 152.4° | 179.9° |
| C5 | C6 | C7 | H4 | 180.0° | 179.7° |
| C6 | C5 | N | C2 | 160.2° | 177.3° |
| C5 | C6 | C7 | N4 | 29.7° | 0.2° |
| N | C5 | C6 | C7 | 41.8° | 1.1° |
| C5 | N | C2 | C1 | 162.3° | 178.8° |
| N | C5 | C6 | H4 | 138.2° | 178.6° |
| C7 | C8 | C9 | H28 | 115.6° | 118.7° |
| C8 | C7 | C6 | N4 | 178.0° | 179.9° |
| C7 | C8 | C9 | C34 | 118.6° | 120.2° |
| C8 | C7 | N4 | C10 | 35.9° | 5.5° |
| C7 | C8 | C9 | C10 | 0.3° | 1.5° |
| C7 | C8 | C9 | C35 | 120.8° | 117.1° |
| C8 | C7 | C6 | H4 | 27.7° | 0.4° |
| C8 | C7 | N4 | H20 | 144.1° | 174.6° |
| C7 | C8 | C37 | H29 | 168.5° | 50.2° |
| C7 | C8 | C37 | H30 | 50.6° | 170.2° |
| C9 | C8 | C7 | C6 | 157.2° | 175.8° |
| C8 | C9 | C34 | C10 | 113.9° | 114.6° |
| C8 | C9 | C34 | C35 | 118.7° | 122.6° |
| C9 | C8 | C7 | N4 | 21.1° | 4.1° |
| C8 | C9 | C10 | N4 | 20.2° | 1.4° |
| C8 | C9 | C10 | C35 | 115.0° | 118.7° |
| C8 | C9 | C10 | C11 | 165.1° | 179.2° |
| C8 | C9 | C35 | C36 | 53.5° | 69.8° |
| C8 | C9 | C34 | H21 | 180.0° | 176.1° |
| C8 | C9 | C34 | H22 | 60.0° | 63.9° |
| C8 | C9 | C34 | H23 | 60.0° | 56.1° |
| C8 | C9 | C35 | H24 | 67.7° | 50.1° |
| C8 | C9 | C35 | H25 | 174.7° | 170.2° |
| C9 | C8 | C37 | H29 | 53.1° | 64.6° |
| C9 | C8 | C37 | H30 | 64.8° | 55.4° |
| C6 | C7 | N4 | C10 | 142.3° | 174.4° |
| C6 | C7 | N4 | H20 | 37.7° | 5.6° |
| C6 | C7 | C8 | H28 | 42.1° | 57.1° |
| N | C2 | C1 | C | 175.5° | 177.2° |
| N | C2 | C1 | C17 | 4.0° | 3.5° |
| N | C2 | C3 | H2 | 110.2° | 116.6° |
| C2 | C1 | C | C17 | 179.5° | 179.4° |
| C2 | C1 | C17 | N2 | 7.7° | 14.3° |
| C2 | C1 | C17 | C16 | 169.2° | 164.8° |
| C1 | C2 | C3 | H2 | 62.8° | 62.3° |
| C2 | C1 | C | H58 | 180.0° | 93.5° |
| C2 | C1 | C | H59 | 60.0° | 26.5° |
| C2 | C1 | C | H60 | 60.0° | 146.5° |
| C34 | C9 | C10 | N4 | 100.2° | 117.2° |
| C34 | C9 | C10 | C35 | 124.5° | 122.7° |
| C34 | C9 | C10 | C11 | 74.5° | 62.1° |
| C34 | C9 | C35 | C36 | 176.1° | 167.5° |
| C9 | C34 | H21 | H22 | 120.0° | 120.0° |
| C9 | C34 | H21 | H23 | 120.0° | 120.0° |
| C9 | C34 | H22 | H23 | 119.9° | 120.0° |
| C34 | C9 | C35 | H24 | 54.9° | 72.6° |
| C34 | C9 | C35 | H25 | 62.6° | 47.5° |
| C34 | C9 | C8 | H28 | 125.8° | 121.1° |
| C7 | N4 | C10 | H20 | 180.0° | 180.0° |
| C7 | N4 | C10 | C9 | 35.0° | 4.4° |
| C7 | N4 | C10 | C11 | 149.7° | 176.2° |
| N4 | C7 | C6 | H4 | 150.3° | 179.5° |
| N4 | C7 | C8 | H28 | 136.2° | 122.8° |
| C20 | C19 | C16 | H68 | 120.8° | 119.9° |
| C20 | C19 | C16 | H69 | 120.9° | 120.0° |
| C20 | C19 | C16 | C17 | 47.2° | 176.4° |
| C20 | C19 | C16 | C15 | 66.3° | 67.8° |
| C20 | C19 | C16 | C18 | 170.4° | 54.3° |
| C20 | C19 | H68 | H69 | 117.3° | 120.0° |
| C19 | C20 | H70 | H71 | 118.5° | 120.0° |
| C | C1 | C17 | N2 | 171.8° | 165.1° |
| C | C1 | C17 | C16 | 11.3° | 15.9° |
| C1 | C | H58 | H59 | 120.0° | 120.1° |
| C1 | C | H58 | H60 | 120.0° | 119.9° |
| C1 | C | H59 | H60 | 120.0° | 120.0° |
| N4 | C10 | C9 | C11 | 174.7° | 179.4° |
| N4 | C10 | C9 | C35 | 135.2° | 120.1° |
| N4 | C10 | C11 | C12 | 4.1° | 3.1° |
| N4 | C10 | C11 | C33 | 178.3° | 177.5° |
| C1 | C17 | C16 | C19 | 49.8° | 52.2° |
| C1 | C17 | N2 | C16 | 177.4° | 179.1° |
| C1 | C17 | N2 | C14 | 175.9° | 178.7° |
| C1 | C17 | C16 | C15 | 167.2° | 171.2° |
| C1 | C17 | C16 | C18 | 71.8° | 69.8° |
| C17 | C1 | C | H58 | 0.4° | 87.1° |
| C17 | C1 | C | H59 | 120.4° | 152.9° |
| C17 | C1 | C | H60 | 119.5° | 32.8° |
| C10 | C9 | C35 | C36 | 59.2° | 44.8° |
| C9 | C10 | C11 | C12 | 170.0° | 176.2° |
| C9 | C10 | C11 | C33 | 7.6° | 3.2° |
| C9 | C10 | N4 | H20 | 145.0° | 175.6° |
| C10 | C9 | C34 | H21 | 66.1° | 61.5° |
| C10 | C9 | C34 | H22 | 173.8° | 178.5° |
| C10 | C9 | C34 | H23 | 53.9° | 58.5° |
| C10 | C9 | C35 | H24 | 179.5° | 164.7° |
| C10 | C9 | C35 | H25 | 62.0° | 75.2° |
| C10 | C9 | C8 | H28 | 115.9° | 120.3° |
| C35 | C9 | C10 | C11 | 50.0° | 60.5° |
| C9 | C35 | C36 | H24 | 121.2° | 120.0° |
| C9 | C35 | C36 | H25 | 121.2° | 120.0° |
| C9 | C35 | C36 | N5 | 102.7° | 177.2° |
| C9 | C35 | C36 | O7 | 78.8° | 2.8° |
| C35 | C9 | C34 | H21 | 61.3° | 61.2° |
| C35 | C9 | C34 | H22 | 58.7° | 58.8° |
| C35 | C9 | C34 | H23 | 178.7° | 178.8° |
| C9 | C35 | H24 | H25 | 116.0° | 120.0° |
| C35 | C9 | C8 | H28 | 5.2° | 1.6° |
| C10 | C11 | C12 | N1 | 27.4° | 13.2° |
| C10 | C11 | C12 | C33 | 177.6° | 179.4° |
| C10 | C11 | C12 | C25 | 152.9° | 167.8° |
| C11 | C10 | N4 | H20 | 30.3° | 3.8° |
| C10 | C11 | C33 | H34 | 180.0° | 95.4° |
| C10 | C11 | C33 | H35 | 60.0° | 144.6° |
| C10 | C11 | C33 | H36 | 60.0° | 24.7° |
| C19 | C16 | C17 | N2 | 127.2° | 126.9° |
| C19 | C16 | C17 | C15 | 117.4° | 119.0° |
| C19 | C16 | C17 | C18 | 121.6° | 122.1° |
| C19 | C16 | C15 | C18 | 121.0° | 122.2° |
| C19 | C16 | C15 | C14 | 139.3° | 132.6° |
| C19 | C16 | C15 | C22 | 90.3° | 109.1° |
| C19 | C16 | C18 | H61 | 180.0° | 152.4° |
| C19 | C16 | C18 | H62 | 60.0° | 87.6° |
| C19 | C16 | C18 | H63 | 60.0° | 32.3° |
| C19 | C16 | C15 | H64 | 28.4° | 14.4° |
| C16 | C19 | H68 | H69 | 117.3° | 120.0° |
| C16 | C19 | C20 | H70 | 55.6° | 65.1° |
| C16 | C19 | C20 | H71 | 63.4° | 54.9° |
| C32 | C13 | C14 | N2 | 65.4° | 98.0° |
| C32 | C13 | N1 | C14 | 116.7° | 122.3° |
| C32 | C13 | N1 | C24 | 122.1° | 118.9° |
| C32 | C13 | N1 | C12 | 94.3° | 107.6° |
| C32 | C13 | C14 | C24 | 135.8° | 122.0° |
| C32 | C13 | C14 | C15 | 52.8° | 18.9° |
| C32 | C13 | C24 | C25 | 79.3° | 102.1° |
| C32 | C13 | C24 | C29 | 41.9° | 16.0° |
| C32 | C13 | C24 | C30 | 168.3° | 139.7° |
| C13 | C32 | H53 | H54 | 120.0° | 120.0° |
| C13 | C32 | H53 | H55 | 120.0° | 120.0° |
| C13 | C32 | H54 | H55 | 120.0° | 120.0° |
| C32 | C13 | C14 | H56 | 178.2° | 140.0° |
| N2 | C17 | C16 | C15 | 9.8° | 7.9° |
| N2 | C17 | C16 | C18 | 111.2° | 111.0° |
| C17 | N2 | C14 | C13 | 147.4° | 130.5° |
| C17 | N2 | C14 | C15 | 20.9° | 11.4° |
| C17 | N2 | C14 | H56 | 96.7° | 106.8° |
| C16 | C17 | N2 | C14 | 6.6° | 2.2° |
| C17 | C16 | C15 | C18 | 120.3° | 118.9° |
| C17 | C16 | C15 | C14 | 20.6° | 13.7° |
| C17 | C16 | C15 | C22 | 150.9° | 131.9° |
| C17 | C16 | C18 | H61 | 56.8° | 30.3° |
| C17 | C16 | C18 | H62 | 176.9° | 150.3° |
| C17 | C16 | C18 | H63 | 63.2° | 89.7° |
| C17 | C16 | C15 | H64 | 90.4° | 104.5° |
| C17 | C16 | C19 | H68 | 168.1° | 63.7° |
| C17 | C16 | C19 | H69 | 73.7° | 56.4° |
| C35 | C36 | N5 | O7 | 178.5° | 180.0° |
| C36 | C35 | H24 | H25 | 116.1° | 120.0° |
| C35 | C36 | N5 | H26 | 178.5° | 0.0° |
| C35 | C36 | N5 | H27 | 1.5° | 180.0° |
| N5 | C36 | C35 | H24 | 18.5° | 62.8° |
| N5 | C36 | C35 | H25 | 136.1° | 57.2° |
| C36 | N5 | H26 | H27 | 180.0° | 179.9° |
| N2 | C14 | C15 | C16 | 25.1° | 15.1° |
| N2 | C14 | C13 | N1 | 47.6° | 23.8° |
| N2 | C14 | C13 | C15 | 118.2° | 116.9° |
| N2 | C14 | C13 | H56 | 116.4° | 122.0° |
| N2 | C14 | C13 | C24 | 158.8° | 140.0° |
| N2 | C14 | C15 | H56 | 118.1° | 118.7° |
| N2 | C14 | C15 | C22 | 155.2° | 133.3° |
| N2 | C14 | C15 | H64 | 85.7° | 103.1° |
| O4 | C28 | C27 | C26 | 48.0° | 0.1° |
| O4 | C28 | O5 | C27 | 178.9° | 179.9° |
| O4 | C28 | C27 | H41 | 169.0° | 120.1° |
| O4 | C28 | C27 | H42 | 73.0° | 120.0° |
| O4 | C28 | O5 | H43 | 0.0° | 0.1° |
| O7 | C36 | C35 | H24 | 160.0° | 117.2° |
| O7 | C36 | C35 | H25 | 42.4° | 122.8° |
| O7 | C36 | N5 | H26 | 0.0° | 180.0° |
| O7 | C36 | N5 | H27 | 180.0° | 0.0° |
| C16 | C15 | C14 | C13 | 141.5° | 134.2° |
| C16 | C15 | C14 | C22 | 130.1° | 118.2° |
| C16 | C15 | C14 | H64 | 110.8° | 118.1° |
| C16 | C15 | C22 | H64 | 118.7° | 123.5° |
| C16 | C15 | C22 | C23 | 80.8° | 63.2° |
| C16 | C15 | C14 | H56 | 93.0° | 103.6° |
| C15 | C16 | C18 | H61 | 58.6° | 85.4° |
| C15 | C16 | C18 | H62 | 61.5° | 34.6° |
| C15 | C16 | C18 | H63 | 178.6° | 154.6° |
| C16 | C15 | C22 | H65 | 39.9° | 176.8° |
| C16 | C15 | C22 | H66 | 158.4° | 56.8° |
| C15 | C16 | C19 | H68 | 54.5° | 52.1° |
| C15 | C16 | C19 | H69 | 172.8° | 172.1° |
| C18 | C16 | C15 | C14 | 99.6° | 105.2° |
| C18 | C16 | C15 | C22 | 30.7° | 13.1° |
| C16 | C18 | H61 | H62 | 120.0° | 120.0° |
| C16 | C18 | H61 | H63 | 120.0° | 120.0° |
| C16 | C18 | H62 | H63 | 120.0° | 120.0° |
| C18 | C16 | C15 | H64 | 149.4° | 136.6° |
| C18 | C16 | C19 | H68 | 68.7° | 174.3° |
| C18 | C16 | C19 | H69 | 49.5° | 65.7° |
| C13 | N1 | C12 | C11 | 172.6° | 179.3° |
| N1 | C13 | C14 | C24 | 111.2° | 116.2° |
| C13 | N1 | C12 | C25 | 7.7° | 0.2° |
| N1 | C13 | C14 | C15 | 165.8° | 140.8° |
| N1 | C13 | C24 | C25 | 34.2° | 17.0° |
| N1 | C13 | C24 | C29 | 155.4° | 135.2° |
| N1 | C13 | C24 | C30 | 78.2° | 101.2° |
| N1 | C13 | C32 | H53 | 180.0° | 169.5° |
| N1 | C13 | C32 | H54 | 60.0° | 49.5° |
| N1 | C13 | C32 | H55 | 60.0° | 70.5° |
| N1 | C13 | C14 | H56 | 68.8° | 98.2° |
| N1 | C12 | C11 | C25 | 179.7° | 179.0° |
| N1 | C12 | C11 | C33 | 155.0° | 166.2° |
| C12 | N1 | C13 | C14 | 149.0° | 130.1° |
| C12 | N1 | C13 | C24 | 27.9° | 11.3° |
| N1 | C12 | C25 | C26 | 112.6° | 107.4° |
| N1 | C12 | C25 | C24 | 16.1° | 11.5° |
| N1 | C12 | C25 | H38 | 129.5° | 130.4° |
| C11 | C12 | C25 | C26 | 67.7° | 71.8° |
| C11 | C12 | C25 | C24 | 163.6° | 169.4° |
| C12 | C11 | C33 | H34 | 2.4° | 84.1° |
| C12 | C11 | C33 | H35 | 122.4° | 36.0° |
| C12 | C11 | C33 | H36 | 117.6° | 155.9° |
| C11 | C12 | C25 | H38 | 50.2° | 50.4° |
| C33 | C11 | C12 | C25 | 24.7° | 12.8° |
| C11 | C33 | H34 | H35 | 120.0° | 120.1° |
| C11 | C33 | H34 | H36 | 120.0° | 120.0° |
| C11 | C33 | H35 | H36 | 120.0° | 120.0° |
| C13 | C14 | C15 | H56 | 125.5° | 122.2° |
| C13 | C14 | C15 | C22 | 88.5° | 107.5° |
| C14 | C13 | C24 | C25 | 147.9° | 135.4° |
| C14 | C13 | C24 | C29 | 91.0° | 106.5° |
| C14 | C13 | C24 | C30 | 35.4° | 17.2° |
| C14 | C13 | C32 | H53 | 66.7° | 69.0° |
| C14 | C13 | C32 | H54 | 173.3° | 170.9° |
| C14 | C13 | C32 | H55 | 53.3° | 50.9° |
| C13 | C14 | C15 | H64 | 30.7° | 16.1° |
| C13 | C24 | C25 | C12 | 30.7° | 16.9° |
| C13 | C24 | C25 | C26 | 93.5° | 102.0° |
| C24 | C13 | C14 | C15 | 83.0° | 103.1° |
| C13 | C24 | C25 | C29 | 122.3° | 118.2° |
| C13 | C24 | C25 | C30 | 116.3° | 118.2° |
| C13 | C24 | C29 | C30 | 127.1° | 123.8° |
| C13 | C24 | C30 | C31 | 169.7° | 174.1° |
| C13 | C24 | C25 | H38 | 144.5° | 135.9° |
| C13 | C24 | C29 | H44 | 180.0° | 48.6° |
| C13 | C24 | C29 | H45 | 60.0° | 71.4° |
| C13 | C24 | C29 | H46 | 60.0° | 168.6° |
| C13 | C24 | C30 | H47 | 48.6° | 65.9° |
| C13 | C24 | C30 | H48 | 69.2° | 54.1° |
| C24 | C13 | C32 | H53 | 68.6° | 53.1° |
| C24 | C13 | C32 | H54 | 51.4° | 67.0° |
| C24 | C13 | C32 | H55 | 171.4° | 173.0° |
| C24 | C13 | C14 | H56 | 42.4° | 18.0° |
| C12 | C25 | C26 | C24 | 119.9° | 115.6° |
| C12 | C25 | C26 | H38 | 118.2° | 122.2° |
| C12 | C25 | C26 | C27 | 138.1° | 40.9° |
| C12 | C25 | C24 | H38 | 113.8° | 119.0° |
| C12 | C25 | C24 | C29 | 153.0° | 135.1° |
| C12 | C25 | C24 | C30 | 85.6° | 101.3° |
| C12 | C25 | C26 | H39 | 17.5° | 79.1° |
| C12 | C25 | C26 | H40 | 101.4° | 160.9° |
| C25 | C26 | C27 | H39 | 120.6° | 120.0° |
| C25 | C26 | C27 | H40 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 166.5° | 174.2° |
| C26 | C25 | C24 | H38 | 122.0° | 122.2° |
| C26 | C25 | C24 | C29 | 28.8° | 16.2° |
| C26 | C25 | C24 | C30 | 150.2° | 139.8° |
| C25 | C26 | H39 | H40 | 118.3° | 120.0° |
| C25 | C26 | C27 | H41 | 72.6° | 65.9° |
| C25 | C26 | C27 | H42 | 45.5° | 54.1° |
| C26 | C27 | C28 | O5 | 133.0° | 180.0° |
| C26 | C27 | C28 | H41 | 121.0° | 120.0° |
| C26 | C27 | C28 | H42 | 121.0° | 120.1° |
| C27 | C26 | C25 | C24 | 102.0° | 156.5° |
| C27 | C26 | C25 | H38 | 19.9° | 81.3° |
| C27 | C26 | H39 | H40 | 118.3° | 120.0° |
| C26 | C27 | H41 | H42 | 117.0° | 120.0° |
| C14 | C15 | C22 | H64 | 119.2° | 123.6° |
| C14 | C15 | C22 | C23 | 157.1° | 49.6° |
| C14 | C15 | C22 | H65 | 82.2° | 70.4° |
| C14 | C15 | C22 | H66 | 36.3° | 169.7° |
| O5 | C28 | C27 | H41 | 12.1° | 60.1° |
| O5 | C28 | C27 | H42 | 106.0° | 59.9° |
| C28 | C27 | C26 | H39 | 45.9° | 54.2° |
| C28 | C27 | C26 | H40 | 73.0° | 65.8° |
| C28 | C27 | H41 | H42 | 116.9° | 120.0° |
| C27 | C28 | O5 | H43 | 178.9° | 180.0° |
| C15 | C22 | C23 | O2 | 29.4° | 11.5° |
| C15 | C22 | C23 | H65 | 120.8° | 120.0° |
| C15 | C22 | C23 | H66 | 120.7° | 120.0° |
| C15 | C22 | C23 | O3 | 151.1° | 168.5° |
| C22 | C15 | C14 | H56 | 37.0° | 14.6° |
| C15 | C22 | H65 | H66 | 117.7° | 120.0° |
| O2 | C23 | C22 | O3 | 179.4° | 180.0° |
| O2 | C23 | C22 | H65 | 150.2° | 108.5° |
| O2 | C23 | C22 | H66 | 91.3° | 131.5° |
| O2 | C23 | O3 | H67 | 0.0° | 0.0° |
| C25 | C24 | C29 | C30 | 119.4° | 123.6° |
| C25 | C24 | C30 | C31 | 82.3° | 61.5° |
| C24 | C25 | C26 | H39 | 137.4° | 36.5° |
| C24 | C25 | C26 | H40 | 18.5° | 83.5° |
| C25 | C24 | C29 | H44 | 66.6° | 64.0° |
| C25 | C24 | C29 | H45 | 53.5° | 176.1° |
| C25 | C24 | C29 | H46 | 173.4° | 56.0° |
| C25 | C24 | C30 | H47 | 156.6° | 178.6° |
| C25 | C24 | C30 | H48 | 38.7° | 58.5° |
| C29 | C24 | C30 | C31 | 40.9° | 62.2° |
| C29 | C24 | C25 | H38 | 93.2° | 106.0° |
| C24 | C29 | H44 | H45 | 120.0° | 120.0° |
| C24 | C29 | H44 | H46 | 120.0° | 120.1° |
| C24 | C29 | H45 | H46 | 120.0° | 120.1° |
| C29 | C24 | C30 | H47 | 80.1° | 57.8° |
| C29 | C24 | C30 | H48 | 162.0° | 177.8° |
| C24 | C30 | C31 | H47 | 121.1° | 120.0° |
| C24 | C30 | C31 | H48 | 121.1° | 120.0° |
| C24 | C30 | C31 | N3 | 28.4° | 180.0° |
| C24 | C30 | C31 | O6 | 150.4° | 0.0° |
| C30 | C24 | C25 | H38 | 28.2° | 17.6° |
| C30 | C24 | C29 | H44 | 52.9° | 172.3° |
| C30 | C24 | C29 | H45 | 172.9° | 52.4° |
| C30 | C24 | C29 | H46 | 67.1° | 67.6° |
| C24 | C30 | H47 | H48 | 116.6° | 120.0° |
| C23 | C22 | C15 | H64 | 37.8° | 173.3° |
| C23 | C22 | H65 | H66 | 117.7° | 120.0° |
| C22 | C23 | O3 | H67 | 179.4° | 180.0° |
| O3 | C23 | C22 | H65 | 30.4° | 71.5° |
| O3 | C23 | C22 | H66 | 88.1° | 48.5° |
| C30 | C31 | N3 | O6 | 178.8° | 180.0° |
| C31 | C30 | H47 | H48 | 116.6° | 120.0° |
| C30 | C31 | N3 | H49 | 178.7° | 0.0° |
| C30 | C31 | N3 | H50 | 1.2° | 180.0° |
| N3 | C31 | C30 | H47 | 149.5° | 60.0° |
| N3 | C31 | C30 | H48 | 92.6° | 60.0° |
| C31 | N3 | H49 | H50 | 180.0° | 179.9° |
| O6 | C31 | C30 | H47 | 29.3° | 120.1° |
| O6 | C31 | C30 | H48 | 88.6° | 120.0° |
| O6 | C31 | N3 | H49 | 0.0° | 179.9° |
| O6 | C31 | N3 | H50 | 180.0° | 0.0° |
| H2 | C3 | C42 | H9 | 38.0° | 83.7° |
| H2 | C3 | C42 | H10 | 79.2° | 156.2° |
| H7 | C43 | C42 | H9 | 162.4° | 60.2° |
| H7 | C43 | C42 | H10 | 80.3° | 179.8° |
| H8 | C43 | C42 | H9 | 41.8° | 179.8° |
| H8 | C43 | C42 | H10 | 159.1° | 59.8° |
| H11 | C40 | H12 | H13 | 120.0° | 120.0° |
| H14 | C41 | H15 | H16 | 120.0° | 120.0° |
| H21 | C34 | H22 | H23 | 120.0° | 120.0° |
| H28 | C8 | C37 | H29 | 71.0° | 172.8° |
| H28 | C8 | C37 | H30 | 171.1° | 67.2° |
| H29 | C37 | C38 | H31 | 76.1° | 174.1° |
| H29 | C37 | C38 | H32 | 166.2° | 54.2° |
| H30 | C37 | C38 | H31 | 41.9° | 65.9° |
| H30 | C37 | C38 | H32 | 75.9° | 174.2° |
| H34 | C33 | H35 | H36 | 120.0° | 120.0° |
| H38 | C25 | C26 | H39 | 100.7° | 158.7° |
| H38 | C25 | C26 | H40 | 140.5° | 38.7° |
| H39 | C26 | C27 | H41 | 166.9° | 174.1° |
| H39 | C26 | C27 | H42 | 75.1° | 65.9° |
| H40 | C26 | C27 | H41 | 48.0° | 54.2° |
| H40 | C26 | C27 | H42 | 166.1° | 174.1° |
| H44 | C29 | H45 | H46 | 120.0° | 119.9° |
| H53 | C32 | H54 | H55 | 120.0° | 120.0° |
| H56 | C14 | C15 | H64 | 156.2° | 138.3° |
| H58 | C | H59 | H60 | 120.0° | 120.0° |
| H61 | C18 | H62 | H63 | 120.0° | 120.0° |
| H64 | C15 | C22 | H65 | 158.6° | 53.3° |
| H64 | C15 | C22 | H66 | 82.9° | 66.7° |
| H68 | C19 | C20 | H70 | 176.4° | 175.0° |
| H68 | C19 | C20 | H71 | 57.4° | 65.0° |
| H69 | C19 | C20 | H70 | 65.3° | 55.0° |
| H69 | C19 | C20 | H71 | 175.7° | 175.0° |
