A1BB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C37 | O5 | sing | 1.36Å | 1.35Å | |
| C37 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.49Å | |
| C31 | N7 | doub | 1.33Å | 1.33Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| N7 | N8 | sing | 1.28Å | 1.28Å | Aromatic |
| N8 | C38 | doub | 1.32Å | 1.33Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C38 | N9 | sing | 1.40Å | 1.40Å | |
| C29 | N6 | sing | 1.39Å | 1.41Å | |
| N9 | C39 | sing | 1.47Å | 1.48Å | |
| C28 | N6 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| N6 | C40 | sing | 1.47Å | 1.48Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C27 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C41 | sing | 1.47Å | 1.47Å | |
| N5 | C26 | sing | 1.47Å | 1.48Å | |
| C26 | C42 | sing | 1.55Å | 1.54Å | |
| C26 | C25 | sing | 1.55Å | 1.56Å | |
| C42 | N4 | sing | 1.49Å | 1.46Å | |
| C25 | C24 | sing | 1.54Å | 1.55Å | |
| N4 | C24 | sing | 1.48Å | 1.47Å | |
| N4 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | O4 | sing | 1.43Å | 1.42Å | |
| O4 | C20 | sing | 1.36Å | 1.36Å | |
| C20 | N10 | doub | 1.31Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.42Å | 1.43Å | Aromatic |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| N10 | O6 | sing | 1.21Å | 1.22Å | Aromatic |
| C19 | C18 | doub | 1.35Å | 1.35Å | Aromatic |
| O6 | C18 | sing | 1.34Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C43 | C17 | sing | 1.53Å | 1.54Å | |
| C43 | C45 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | O3 | doub | 1.21Å | 1.22Å | |
| C16 | N3 | sing | 1.35Å | 1.34Å | |
| C15 | N3 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.55Å | 1.55Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| O2 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | C13 | sing | 1.55Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| O1 | C11 | doub | 1.21Å | 1.21Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C9 | sing | 1.46Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C8 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.49Å | |
| C4 | S | sing | 1.76Å | 1.76Å | Aromatic |
| C4 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| S | C3 | sing | 1.71Å | 1.71Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | N1 | sing | 1.31Å | 1.32Å | Aromatic |
| C3 | N1 | doub | 1.29Å | 1.28Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.08Å | 1.08Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| N9 | H44 | sing | 0.97Å | 1.00Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C42 | H50 | sing | 1.09Å | 1.10Å | |
| C42 | H51 | sing | 1.09Å | 1.10Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | H53 | sing | 1.09Å | 1.10Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C45 | H57 | sing | 1.09Å | 1.10Å | |
| C45 | H58 | sing | 1.09Å | 1.10Å | |
| C46 | H59 | sing | 1.08Å | 1.08Å | |
| C47 | H60 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 121.0° | 120.3° |
| C35 | C36 | C37 | 120.4° | 120.1° |
| C36 | C35 | H41 | 119.5° | 119.8° |
| C35 | C36 | H42 | 119.8° | 120.0° |
| C35 | C34 | C33 | 119.5° | 120.3° |
| C35 | C34 | H40 | 120.3° | 119.9° |
| C34 | C35 | H41 | 119.5° | 119.9° |
| C36 | C37 | O5 | 118.1° | 120.1° |
| C36 | C37 | C32 | 119.4° | 119.8° |
| C37 | C36 | H42 | 119.8° | 120.0° |
| C34 | C33 | C32 | 120.6° | 119.9° |
| C34 | C33 | H39 | 119.7° | 120.0° |
| C33 | C34 | H40 | 120.2° | 119.9° |
| O5 | C37 | C32 | 122.5° | 120.1° |
| C37 | O5 | H43 | 109.5° | 114.0° |
| C37 | C32 | C33 | 119.1° | 119.7° |
| C37 | C32 | C31 | 121.0° | 120.2° |
| C33 | C32 | C31 | 119.9° | 120.1° |
| C32 | C33 | H39 | 119.7° | 120.0° |
| C32 | C31 | N7 | 118.2° | 120.0° |
| C32 | C31 | C30 | 121.9° | 120.0° |
| N7 | C31 | C30 | 119.9° | 119.9° |
| C31 | N7 | N8 | 121.5° | 122.3° |
| C31 | C30 | C29 | 119.0° | 117.8° |
| C31 | C30 | H38 | 120.5° | 121.2° |
| N7 | N8 | C38 | 123.0° | 122.2° |
| N8 | C38 | C29 | 120.6° | 120.0° |
| N8 | C38 | N9 | 118.6° | 120.0° |
| C30 | C29 | C38 | 116.0° | 117.8° |
| C30 | C29 | N6 | 124.0° | 120.0° |
| C29 | C30 | H38 | 120.5° | 121.1° |
| C29 | C38 | N9 | 120.8° | 120.0° |
| C38 | C29 | N6 | 120.1° | 122.2° |
| C38 | N9 | C39 | 120.6° | 117.8° |
| C38 | N9 | H44 | 106.6° | 121.1° |
| C29 | N6 | C28 | 117.4° | 112.1° |
| C29 | N6 | C40 | 113.5° | 113.1° |
| N9 | C39 | C40 | 112.2° | 107.4° |
| C39 | N9 | H44 | 106.6° | 121.1° |
| N9 | C39 | H45 | 108.8° | 109.9° |
| N9 | C39 | H46 | 108.8° | 109.9° |
| N6 | C28 | C27 | 111.0° | 109.1° |
| C28 | N6 | C40 | 109.3° | 111.0° |
| N6 | C28 | H18 | 109.1° | 109.6° |
| N6 | C28 | H19 | 109.1° | 109.6° |
| C28 | C27 | N5 | 110.9° | 109.5° |
| C27 | C28 | H18 | 109.1° | 109.5° |
| C27 | C28 | H19 | 109.1° | 109.5° |
| C28 | C27 | H36 | 109.1° | 109.4° |
| C28 | C27 | H37 | 109.1° | 109.5° |
| N6 | C40 | C39 | 111.8° | 109.2° |
| N6 | C40 | C41 | 110.3° | 109.4° |
| N6 | C40 | H47 | 110.2° | 109.5° |
| C39 | C40 | C41 | 105.7° | 109.8° |
| C40 | C39 | H45 | 108.8° | 109.8° |
| C40 | C39 | H46 | 108.8° | 109.9° |
| C39 | C40 | H47 | 109.3° | 109.5° |
| C40 | C41 | N5 | 112.2° | 109.1° |
| C41 | C40 | H47 | 109.4° | 109.5° |
| C40 | C41 | H48 | 108.8° | 109.5° |
| C40 | C41 | H49 | 108.8° | 109.5° |
| C27 | N5 | C41 | 107.9° | 111.0° |
| C27 | N5 | C26 | 111.5° | 111.0° |
| N5 | C27 | H36 | 109.1° | 109.5° |
| N5 | C27 | H37 | 109.1° | 109.4° |
| C41 | N5 | C26 | 109.2° | 111.0° |
| N5 | C41 | H48 | 108.8° | 109.5° |
| N5 | C41 | H49 | 108.8° | 109.5° |
| N5 | C26 | C42 | 112.2° | 110.7° |
| N5 | C26 | C25 | 112.2° | 110.8° |
| N5 | C26 | H17 | 110.5° | 110.8° |
| C42 | C26 | C25 | 102.6° | 102.9° |
| C26 | C42 | N4 | 104.6° | 103.2° |
| C42 | C26 | H17 | 109.7° | 110.7° |
| C26 | C42 | H50 | 110.7° | 110.7° |
| C26 | C42 | H51 | 110.7° | 110.7° |
| C26 | C25 | C24 | 104.9° | 105.2° |
| C25 | C26 | H17 | 109.3° | 110.7° |
| C26 | C25 | H33 | 110.6° | 110.3° |
| C26 | C25 | H34 | 110.6° | 110.3° |
| C42 | N4 | C24 | 104.0° | 105.8° |
| C42 | N4 | C23 | 112.7° | 111.0° |
| N4 | C42 | H50 | 110.7° | 110.7° |
| N4 | C42 | H51 | 110.6° | 110.6° |
| C25 | C24 | N4 | 105.0° | 107.2° |
| C25 | C24 | H15 | 110.6° | 109.9° |
| C25 | C24 | H16 | 110.6° | 109.9° |
| C24 | C25 | H33 | 110.6° | 110.3° |
| C24 | C25 | H34 | 110.6° | 110.2° |
| C24 | N4 | C23 | 112.7° | 111.0° |
| N4 | C24 | H15 | 110.6° | 109.9° |
| N4 | C24 | H16 | 110.6° | 109.9° |
| N4 | C23 | C21 | 110.7° | 109.4° |
| N4 | C23 | H30 | 109.1° | 109.5° |
| N4 | C23 | H31 | 109.2° | 109.5° |
| C23 | C21 | C22 | 111.5° | 109.4° |
| C23 | C21 | O4 | 111.1° | 109.4° |
| C23 | C21 | H11 | 108.7° | 109.5° |
| C21 | C23 | H30 | 109.2° | 109.5° |
| C21 | C23 | H31 | 109.2° | 109.5° |
| C22 | C21 | O4 | 106.5° | 109.5° |
| C22 | C21 | H11 | 108.9° | 109.5° |
| C21 | C22 | H12 | 109.5° | 109.5° |
| C21 | C22 | H13 | 109.5° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.4° |
| C21 | O4 | C20 | 117.6° | 117.0° |
| O4 | C21 | H11 | 110.2° | 109.5° |
| O4 | C20 | N10 | 126.8° | 126.9° |
| O4 | C20 | C19 | 125.8° | 126.9° |
| N10 | C20 | C19 | 107.5° | 106.3° |
| C20 | N10 | O6 | 109.9° | 111.5° |
| C20 | C19 | C18 | 103.2° | 104.0° |
| C20 | C19 | H29 | 128.4° | 128.0° |
| C44 | C43 | C17 | 109.9° | 109.4° |
| C44 | C43 | C45 | 108.1° | 109.5° |
| C44 | C43 | H52 | 109.1° | 109.5° |
| C43 | C44 | H53 | 109.5° | 109.4° |
| C43 | C44 | H54 | 109.5° | 109.5° |
| C43 | C44 | H55 | 109.5° | 109.4° |
| N10 | O6 | C18 | 112.2° | 111.7° |
| C19 | C18 | O6 | 107.2° | 106.6° |
| C19 | C18 | C17 | 127.0° | 126.7° |
| C18 | C19 | H29 | 128.4° | 128.0° |
| O6 | C18 | C17 | 125.7° | 126.7° |
| C18 | C17 | C43 | 111.9° | 109.5° |
| C18 | C17 | C16 | 108.3° | 109.5° |
| C18 | C17 | H10 | 109.2° | 109.4° |
| C17 | C43 | C45 | 111.5° | 109.5° |
| C43 | C17 | C16 | 109.7° | 109.5° |
| C43 | C17 | H10 | 108.7° | 109.5° |
| C17 | C43 | H52 | 109.2° | 109.5° |
| C45 | C43 | H52 | 109.1° | 109.5° |
| C43 | C45 | H56 | 109.5° | 109.5° |
| C43 | C45 | H57 | 109.5° | 109.5° |
| C43 | C45 | H58 | 109.5° | 109.5° |
| C17 | C16 | O3 | 120.3° | 120.0° |
| C17 | C16 | N3 | 119.9° | 120.0° |
| C16 | C17 | H10 | 109.0° | 109.4° |
| O3 | C16 | N3 | 119.8° | 120.0° |
| C16 | N3 | C15 | 127.4° | 125.6° |
| C16 | N3 | C12 | 124.4° | 125.7° |
| N3 | C15 | C14 | 105.6° | 104.8° |
| C15 | N3 | C12 | 108.2° | 108.7° |
| N3 | C15 | H8 | 110.4° | 110.3° |
| N3 | C15 | H9 | 110.4° | 110.4° |
| C15 | C14 | O2 | 112.8° | 111.0° |
| C15 | C14 | C13 | 101.4° | 101.6° |
| C14 | C15 | H8 | 110.4° | 110.3° |
| C14 | C15 | H9 | 110.4° | 110.4° |
| C15 | C14 | H27 | 109.8° | 110.9° |
| N3 | C12 | C11 | 111.1° | 109.9° |
| N3 | C12 | C13 | 107.5° | 107.3° |
| N3 | C12 | H26 | 111.1° | 109.9° |
| O2 | C14 | C13 | 110.8° | 111.0° |
| O2 | C14 | H27 | 111.7° | 110.9° |
| C14 | O2 | H28 | 109.5° | 114.0° |
| C14 | C13 | C12 | 101.8° | 102.9° |
| C14 | C13 | H6 | 111.4° | 110.7° |
| C14 | C13 | H7 | 111.3° | 110.9° |
| C13 | C14 | H27 | 109.9° | 111.1° |
| C11 | C12 | C13 | 106.7° | 109.9° |
| C12 | C11 | O1 | 121.8° | 120.0° |
| C12 | C11 | N2 | 116.6° | 120.0° |
| C11 | C12 | H26 | 110.4° | 109.8° |
| C12 | C13 | H6 | 111.4° | 110.7° |
| C12 | C13 | H7 | 111.4° | 110.7° |
| C13 | C12 | H26 | 109.9° | 110.0° |
| O1 | C11 | N2 | 121.5° | 119.9° |
| C11 | N2 | C9 | 121.5° | 120.0° |
| C11 | N2 | H25 | 119.2° | 120.0° |
| N2 | C9 | C10 | 110.1° | 109.5° |
| N2 | C9 | C8 | 108.0° | 109.5° |
| N2 | C9 | H24 | 111.6° | 109.5° |
| C9 | N2 | H25 | 119.2° | 120.0° |
| C10 | C9 | C8 | 105.9° | 109.5° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.4° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C10 | C9 | H24 | 110.2° | 109.4° |
| C9 | C8 | C46 | 121.8° | 119.8° |
| C9 | C8 | C7 | 117.8° | 119.8° |
| C8 | C9 | H24 | 110.9° | 109.4° |
| C46 | C8 | C7 | 120.2° | 120.3° |
| C8 | C46 | C47 | 119.8° | 120.1° |
| C8 | C46 | H59 | 120.1° | 120.0° |
| C8 | C7 | C6 | 120.7° | 120.1° |
| C8 | C7 | H2 | 119.6° | 119.9° |
| C46 | C47 | C5 | 119.9° | 119.9° |
| C47 | C46 | H59 | 120.1° | 119.9° |
| C46 | C47 | H60 | 120.0° | 120.1° |
| C7 | C6 | C5 | 119.8° | 119.9° |
| C7 | C6 | H1 | 120.1° | 120.1° |
| C6 | C7 | H2 | 119.7° | 119.9° |
| C47 | C5 | C6 | 119.5° | 119.7° |
| C47 | C5 | C4 | 119.4° | 120.2° |
| C5 | C47 | H60 | 120.1° | 120.1° |
| C6 | C5 | C4 | 121.1° | 120.2° |
| C5 | C6 | H1 | 120.1° | 120.0° |
| C5 | C4 | S | 123.7° | 126.1° |
| C5 | C4 | C2 | 129.0° | 126.1° |
| S | C4 | C2 | 107.2° | 107.8° |
| C4 | S | C3 | 91.3° | 90.3° |
| C4 | C2 | C1 | 124.7° | 122.9° |
| C4 | C2 | N1 | 113.7° | 114.2° |
| S | C3 | N1 | 109.5° | 110.3° |
| S | C3 | H23 | 125.3° | 124.9° |
| C1 | C2 | N1 | 121.6° | 122.9° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.4° | 109.5° |
| C2 | N1 | C3 | 118.4° | 117.3° |
| N1 | C3 | H23 | 125.3° | 124.8° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.4° | 109.4° |
| H6 | C13 | H7 | 109.5° | 110.6° |
| H8 | C15 | H9 | 109.5° | 110.5° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.4° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.9° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H20 | C1 | H21 | 109.4° | 109.5° |
| H20 | C1 | H22 | 109.4° | 109.4° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H30 | C23 | H31 | 109.4° | 109.5° |
| H33 | C25 | H34 | 109.5° | 110.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H45 | C39 | H46 | 109.5° | 109.8° |
| H48 | C41 | H49 | 109.5° | 109.6° |
| H50 | C42 | H51 | 109.5° | 110.7° |
| H53 | C44 | H54 | 109.4° | 109.5° |
| H53 | C44 | H55 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.4° | 109.5° |
| H56 | C45 | H57 | 109.5° | 109.4° |
| H56 | C45 | H58 | 109.4° | 109.5° |
| H57 | C45 | H58 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H41 | 180.0° | 179.8° |
| C35 | C36 | C37 | H42 | 180.0° | 179.7° |
| C36 | C35 | C34 | C33 | 0.8° | 0.0° |
| C35 | C36 | C37 | O5 | 179.4° | 180.0° |
| C35 | C36 | C37 | C32 | 0.9° | 0.6° |
| C36 | C35 | C34 | H40 | 179.2° | 179.9° |
| C34 | C35 | C36 | C37 | 0.5° | 0.3° |
| C35 | C34 | C33 | H40 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 1.5° | 0.0° |
| C35 | C34 | C33 | H39 | 178.5° | 179.9° |
| C34 | C35 | C36 | H42 | 179.5° | 180.0° |
| C36 | C37 | O5 | C32 | 179.8° | 179.4° |
| C36 | C37 | C32 | C33 | 1.5° | 0.6° |
| C36 | C37 | C32 | C31 | 179.8° | 179.7° |
| C37 | C36 | C35 | H41 | 179.5° | 180.0° |
| C36 | C37 | O5 | H43 | 180.0° | 90.0° |
| C34 | C33 | C32 | C37 | 1.9° | 0.3° |
| C34 | C33 | C32 | H39 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 179.8° | 180.0° |
| C33 | C34 | C35 | H41 | 179.2° | 179.7° |
| O5 | C37 | C32 | C33 | 178.7° | 180.0° |
| O5 | C37 | C32 | C31 | 0.4° | 0.3° |
| O5 | C37 | C36 | H42 | 0.7° | 0.3° |
| C37 | C32 | C33 | C31 | 178.3° | 179.7° |
| C37 | C32 | C31 | N7 | 13.0° | 0.3° |
| C37 | C32 | C31 | C30 | 167.7° | 179.7° |
| C37 | C32 | C33 | H39 | 178.1° | 179.7° |
| C32 | C37 | C36 | H42 | 179.1° | 179.7° |
| C32 | C37 | O5 | H43 | 0.2° | 90.5° |
| C33 | C32 | C31 | N7 | 165.2° | 180.0° |
| C33 | C32 | C31 | C30 | 14.1° | 0.0° |
| C32 | C33 | C34 | H40 | 178.5° | 179.9° |
| C32 | C31 | N7 | C30 | 179.3° | 180.0° |
| C32 | C31 | N7 | N8 | 179.2° | 179.8° |
| C32 | C31 | C30 | C29 | 179.3° | 179.9° |
| C32 | C31 | C30 | H38 | 0.7° | 0.0° |
| C31 | C32 | C33 | H39 | 0.2° | 0.0° |
| C31 | N7 | N8 | C38 | 0.1° | 0.0° |
| N7 | C31 | C30 | C29 | 0.0° | 0.0° |
| N7 | C31 | C30 | H38 | 180.0° | 180.0° |
| C30 | C31 | N7 | N8 | 0.1° | 0.1° |
| C31 | C30 | C29 | H38 | 180.0° | 179.9° |
| C31 | C30 | C29 | C38 | 0.2° | 0.2° |
| C31 | C30 | C29 | N6 | 179.9° | 179.7° |
| N7 | N8 | C38 | C29 | 0.2° | 0.3° |
| N7 | N8 | C38 | N9 | 179.6° | 179.3° |
| N8 | C38 | C29 | C30 | 0.3° | 0.3° |
| N8 | C38 | C29 | N9 | 179.5° | 179.6° |
| N8 | C38 | C29 | N6 | 179.8° | 179.6° |
| N8 | C38 | N9 | C39 | 170.9° | 168.7° |
| N8 | C38 | N9 | H44 | 49.4° | 11.4° |
| C30 | C29 | C38 | N6 | 179.9° | 179.9° |
| C30 | C29 | C38 | N9 | 179.8° | 179.3° |
| C30 | C29 | N6 | C28 | 18.9° | 30.8° |
| C30 | C29 | N6 | C40 | 148.1° | 157.3° |
| C29 | C38 | N9 | C39 | 9.6° | 11.7° |
| C38 | C29 | N6 | C28 | 161.0° | 149.3° |
| C38 | C29 | N6 | C40 | 31.8° | 22.8° |
| C38 | C29 | C30 | H38 | 179.8° | 179.8° |
| C29 | C38 | N9 | H44 | 131.2° | 168.2° |
| N9 | C38 | C29 | N6 | 0.4° | 0.8° |
| C38 | N9 | C39 | H44 | 121.5° | 179.9° |
| C38 | N9 | C39 | C40 | 12.9° | 41.0° |
| C38 | N9 | C39 | H45 | 133.3° | 160.5° |
| C38 | N9 | C39 | H46 | 107.5° | 78.5° |
| C29 | N6 | C28 | C40 | 131.1° | 127.6° |
| C29 | N6 | C28 | C27 | 171.9° | 173.0° |
| C29 | N6 | C40 | C39 | 53.2° | 53.0° |
| C29 | N6 | C40 | C41 | 170.5° | 173.1° |
| C29 | N6 | C28 | H18 | 51.7° | 67.1° |
| C29 | N6 | C28 | H19 | 67.9° | 53.1° |
| N6 | C29 | C30 | H38 | 0.1° | 0.3° |
| C29 | N6 | C40 | H47 | 68.6° | 66.9° |
| N9 | C39 | C40 | N6 | 43.3° | 61.3° |
| N9 | C39 | C40 | H45 | 120.4° | 119.5° |
| N9 | C39 | C40 | H46 | 120.4° | 119.5° |
| N9 | C39 | C40 | C41 | 163.3° | 178.8° |
| N9 | C39 | H45 | H46 | 118.7° | 121.0° |
| N9 | C39 | C40 | H47 | 79.0° | 58.6° |
| N6 | C28 | C27 | H18 | 120.2° | 120.0° |
| N6 | C28 | C27 | H19 | 120.2° | 119.9° |
| C28 | N6 | C40 | C39 | 173.6° | 180.0° |
| C28 | N6 | C40 | C41 | 56.3° | 59.9° |
| N6 | C28 | C27 | N5 | 59.0° | 58.1° |
| N6 | C28 | H18 | H19 | 119.3° | 120.2° |
| N6 | C28 | C27 | H36 | 61.1° | 62.0° |
| N6 | C28 | C27 | H37 | 179.3° | 178.1° |
| C28 | N6 | C40 | H47 | 64.6° | 60.1° |
| C27 | C28 | N6 | C40 | 57.0° | 59.4° |
| C28 | C27 | N5 | H36 | 120.2° | 120.0° |
| C28 | C27 | N5 | H37 | 120.2° | 120.0° |
| C28 | C27 | N5 | C41 | 58.2° | 59.1° |
| C28 | C27 | N5 | C26 | 178.2° | 177.0° |
| C27 | C28 | H18 | H19 | 119.3° | 120.1° |
| C28 | C27 | H36 | H37 | 119.4° | 120.0° |
| N6 | C40 | C39 | C41 | 120.0° | 119.9° |
| N6 | C40 | C39 | H47 | 122.3° | 119.9° |
| N6 | C40 | C41 | H47 | 121.4° | 120.0° |
| N6 | C40 | C41 | N5 | 59.0° | 58.6° |
| C40 | N6 | C28 | H18 | 177.2° | 60.5° |
| C40 | N6 | C28 | H19 | 63.2° | 179.3° |
| N6 | C40 | C39 | H45 | 163.7° | 179.2° |
| N6 | C40 | C39 | H46 | 77.1° | 58.2° |
| N6 | C40 | C41 | H48 | 179.4° | 61.3° |
| N6 | C40 | C41 | H49 | 61.4° | 178.4° |
| C39 | C40 | C41 | H47 | 117.6° | 120.2° |
| C39 | C40 | C41 | N5 | 180.0° | 178.4° |
| C40 | C39 | N9 | H44 | 108.6° | 138.9° |
| C40 | C39 | H45 | H46 | 118.8° | 121.0° |
| C39 | C40 | C41 | H48 | 59.6° | 58.5° |
| C39 | C40 | C41 | H49 | 59.6° | 61.7° |
| C40 | C41 | N5 | C27 | 58.7° | 59.1° |
| C40 | C41 | N5 | H48 | 120.4° | 119.9° |
| C40 | C41 | N5 | H49 | 120.4° | 119.9° |
| C40 | C41 | N5 | C26 | 179.9° | 176.9° |
| C41 | C40 | C39 | H45 | 76.3° | 59.3° |
| C41 | C40 | C39 | H46 | 42.9° | 61.7° |
| C40 | C41 | H48 | H49 | 118.8° | 120.2° |
| C27 | N5 | C41 | C26 | 121.4° | 124.0° |
| C27 | N5 | C26 | C42 | 53.3° | 56.0° |
| C27 | N5 | C26 | C25 | 168.3° | 169.5° |
| C27 | N5 | C26 | H17 | 69.4° | 67.2° |
| N5 | C27 | C28 | H18 | 179.3° | 61.9° |
| N5 | C27 | C28 | H19 | 61.2° | 178.0° |
| N5 | C27 | H36 | H37 | 119.3° | 120.0° |
| C27 | N5 | C41 | H48 | 179.1° | 60.7° |
| C27 | N5 | C41 | H49 | 61.7° | 179.0° |
| C41 | N5 | C26 | C42 | 172.5° | 180.0° |
| C41 | N5 | C26 | C25 | 72.6° | 66.5° |
| C41 | N5 | C26 | H17 | 49.7° | 56.8° |
| C41 | N5 | C27 | H36 | 62.0° | 60.9° |
| C41 | N5 | C27 | H37 | 178.4° | 179.1° |
| N5 | C41 | C40 | H47 | 62.4° | 61.4° |
| N5 | C41 | H48 | H49 | 118.8° | 120.2° |
| N5 | C26 | C42 | C25 | 120.6° | 118.5° |
| N5 | C26 | C42 | H17 | 123.3° | 123.3° |
| N5 | C26 | C25 | H17 | 123.0° | 123.3° |
| N5 | C26 | C42 | N4 | 153.3° | 155.8° |
| N5 | C26 | C25 | C24 | 130.0° | 140.3° |
| N5 | C26 | C25 | H33 | 10.7° | 100.7° |
| N5 | C26 | C25 | H34 | 110.8° | 21.5° |
| C26 | N5 | C27 | H36 | 58.0° | 63.0° |
| C26 | N5 | C27 | H37 | 61.6° | 56.9° |
| C26 | N5 | C41 | H48 | 59.5° | 63.2° |
| C26 | N5 | C41 | H49 | 59.7° | 57.0° |
| N5 | C26 | C42 | H50 | 87.5° | 85.7° |
| N5 | C26 | C42 | H51 | 34.1° | 37.4° |
| C42 | C26 | C25 | H17 | 116.4° | 118.3° |
| C26 | C42 | N4 | H50 | 119.2° | 118.5° |
| C26 | C42 | N4 | H51 | 119.2° | 118.4° |
| C42 | C26 | C25 | C24 | 9.3° | 21.9° |
| C26 | C42 | N4 | C24 | 44.6° | 39.1° |
| C26 | C42 | N4 | C23 | 167.0° | 159.5° |
| C42 | C26 | C25 | H33 | 110.0° | 140.9° |
| C42 | C26 | C25 | H34 | 128.6° | 96.9° |
| C26 | C42 | H50 | H51 | 122.3° | 123.1° |
| C25 | C26 | C42 | N4 | 32.7° | 37.3° |
| C26 | C25 | C24 | H33 | 119.3° | 119.0° |
| C26 | C25 | C24 | H34 | 119.3° | 118.9° |
| C26 | C25 | C24 | N4 | 16.7° | 1.1° |
| C26 | C25 | C24 | H15 | 102.6° | 120.6° |
| C26 | C25 | C24 | H16 | 136.0° | 118.3° |
| C26 | C25 | H33 | H34 | 122.1° | 122.2° |
| C25 | C26 | C42 | H50 | 151.9° | 155.8° |
| C25 | C26 | C42 | H51 | 86.5° | 81.1° |
| C42 | N4 | C24 | C25 | 37.9° | 25.3° |
| C42 | N4 | C24 | C23 | 122.4° | 120.5° |
| C42 | N4 | C23 | C21 | 176.6° | 172.8° |
| C42 | N4 | C24 | H15 | 81.4° | 144.7° |
| C42 | N4 | C24 | H16 | 157.2° | 94.2° |
| N4 | C42 | C26 | H17 | 83.5° | 80.9° |
| C42 | N4 | C23 | H30 | 56.4° | 67.3° |
| C42 | N4 | C23 | H31 | 63.2° | 52.7° |
| N4 | C42 | H50 | H51 | 122.2° | 123.1° |
| C25 | C24 | N4 | H15 | 119.3° | 119.4° |
| C25 | C24 | N4 | H16 | 119.3° | 119.5° |
| C25 | C24 | N4 | C23 | 160.3° | 145.7° |
| C25 | C24 | H15 | H16 | 122.0° | 121.2° |
| C24 | C25 | C26 | H17 | 107.0° | 96.4° |
| C24 | C25 | H33 | H34 | 122.1° | 122.1° |
| C24 | N4 | C23 | C21 | 66.0° | 69.9° |
| N4 | C24 | H15 | H16 | 122.1° | 121.1° |
| C24 | N4 | C23 | H30 | 173.8° | 50.1° |
| C24 | N4 | C23 | H31 | 54.2° | 170.1° |
| N4 | C24 | C25 | H33 | 136.0° | 117.8° |
| N4 | C24 | C25 | H34 | 102.6° | 120.0° |
| C24 | N4 | C42 | H50 | 163.8° | 157.5° |
| C24 | N4 | C42 | H51 | 74.7° | 79.4° |
| N4 | C23 | C21 | H30 | 120.2° | 120.0° |
| N4 | C23 | C21 | H31 | 120.2° | 120.0° |
| N4 | C23 | C21 | C22 | 170.1° | 175.0° |
| N4 | C23 | C21 | O4 | 51.5° | 65.0° |
| N4 | C23 | C21 | H11 | 70.0° | 55.0° |
| C23 | N4 | C24 | H15 | 41.0° | 94.8° |
| C23 | N4 | C24 | H16 | 80.4° | 26.3° |
| N4 | C23 | H30 | H31 | 119.4° | 120.0° |
| C23 | N4 | C42 | H50 | 73.8° | 82.0° |
| C23 | N4 | C42 | H51 | 47.8° | 41.1° |
| C23 | C21 | C22 | O4 | 121.3° | 120.0° |
| C23 | C21 | C22 | H11 | 119.9° | 120.0° |
| C23 | C21 | O4 | H11 | 120.5° | 120.0° |
| C23 | C21 | O4 | C20 | 111.8° | 150.0° |
| C23 | C21 | C22 | H12 | 180.0° | 60.0° |
| C23 | C21 | C22 | H13 | 60.0° | 60.0° |
| C23 | C21 | C22 | H14 | 60.0° | 180.0° |
| C21 | C23 | H30 | H31 | 119.4° | 120.0° |
| C22 | C21 | O4 | H11 | 117.9° | 120.1° |
| C22 | C21 | O4 | C20 | 126.7° | 90.0° |
| C21 | C22 | H12 | H13 | 120.0° | 120.0° |
| C21 | C22 | H12 | H14 | 120.0° | 119.9° |
| C21 | C22 | H13 | H14 | 120.0° | 119.9° |
| C22 | C21 | C23 | H30 | 49.9° | 55.0° |
| C22 | C21 | C23 | H31 | 69.7° | 65.0° |
| C21 | O4 | C20 | N10 | 31.0° | 0.0° |
| C21 | O4 | C20 | C19 | 148.1° | 179.7° |
| O4 | C21 | C22 | H12 | 58.7° | 59.9° |
| O4 | C21 | C22 | H13 | 61.3° | 180.0° |
| O4 | C21 | C22 | H14 | 178.7° | 60.0° |
| O4 | C21 | C23 | H30 | 68.7° | 175.0° |
| O4 | C21 | C23 | H31 | 171.7° | 55.0° |
| O4 | C20 | N10 | C19 | 179.2° | 179.7° |
| O4 | C20 | N10 | O6 | 178.5° | 179.7° |
| O4 | C20 | C19 | C18 | 178.8° | 179.8° |
| C20 | O4 | C21 | H11 | 8.8° | 30.0° |
| O4 | C20 | C19 | H29 | 1.2° | 0.3° |
| N10 | C20 | C19 | C18 | 0.4° | 0.0° |
| C20 | N10 | O6 | C18 | 0.7° | 0.0° |
| N10 | C20 | C19 | H29 | 179.6° | 180.0° |
| C19 | C20 | N10 | O6 | 0.7° | 0.0° |
| C20 | C19 | C18 | H29 | 180.0° | 180.0° |
| C20 | C19 | C18 | O6 | 0.0° | 0.0° |
| C20 | C19 | C18 | C17 | 179.8° | 180.0° |
| C44 | C43 | C17 | C18 | 61.3° | 177.7° |
| C44 | C43 | C17 | C45 | 119.8° | 120.0° |
| C44 | C43 | C17 | H52 | 119.6° | 120.0° |
| C44 | C43 | C45 | H52 | 118.5° | 120.1° |
| C44 | C43 | C17 | C16 | 178.5° | 57.7° |
| C44 | C43 | C17 | H10 | 59.4° | 62.3° |
| C43 | C44 | H53 | H54 | 120.0° | 120.0° |
| C43 | C44 | H53 | H55 | 120.0° | 119.9° |
| C43 | C44 | H54 | H55 | 120.0° | 120.0° |
| C44 | C43 | C45 | H56 | 180.0° | 180.0° |
| C44 | C43 | C45 | H57 | 60.0° | 60.1° |
| C44 | C43 | C45 | H58 | 60.0° | 60.0° |
| N10 | O6 | C18 | C19 | 0.4° | 0.0° |
| N10 | O6 | C18 | C17 | 179.8° | 180.0° |
| C19 | C18 | O6 | C17 | 179.8° | 180.0° |
| C19 | C18 | C17 | C43 | 33.4° | 120.0° |
| C19 | C18 | C17 | C16 | 87.6° | 119.9° |
| C19 | C18 | C17 | H10 | 153.8° | 0.0° |
| O6 | C18 | C17 | C43 | 146.3° | 60.0° |
| O6 | C18 | C17 | C16 | 92.7° | 60.0° |
| O6 | C18 | C17 | H10 | 25.9° | 180.0° |
| O6 | C18 | C19 | H29 | 180.0° | 180.0° |
| C18 | C17 | C43 | C16 | 120.2° | 120.0° |
| C18 | C17 | C43 | H10 | 120.7° | 120.0° |
| C18 | C17 | C43 | C45 | 178.9° | 62.3° |
| C18 | C17 | C16 | H10 | 118.7° | 119.9° |
| C18 | C17 | C16 | O3 | 71.1° | 85.0° |
| C18 | C17 | C16 | N3 | 109.8° | 95.0° |
| C17 | C18 | C19 | H29 | 0.2° | 0.0° |
| C18 | C17 | C43 | H52 | 58.3° | 57.7° |
| C17 | C43 | C45 | H52 | 120.7° | 120.0° |
| C43 | C17 | C16 | H10 | 118.9° | 120.1° |
| C43 | C17 | C16 | O3 | 51.3° | 35.0° |
| C43 | C17 | C16 | N3 | 127.8° | 145.0° |
| C17 | C43 | C44 | H53 | 180.0° | 175.7° |
| C17 | C43 | C44 | H54 | 60.0° | 55.7° |
| C17 | C43 | C44 | H55 | 60.0° | 64.3° |
| C17 | C43 | C45 | H56 | 59.2° | 60.0° |
| C17 | C43 | C45 | H57 | 60.8° | 180.0° |
| C17 | C43 | C45 | H58 | 179.2° | 60.0° |
| C45 | C43 | C17 | C16 | 58.7° | 177.7° |
| C45 | C43 | C17 | H10 | 60.3° | 57.7° |
| C45 | C43 | C44 | H53 | 58.2° | 64.3° |
| C45 | C43 | C44 | H54 | 61.8° | 175.7° |
| C45 | C43 | C44 | H55 | 178.2° | 55.7° |
| C43 | C45 | H56 | H57 | 120.0° | 120.0° |
| C43 | C45 | H56 | H58 | 120.0° | 120.0° |
| C43 | C45 | H57 | H58 | 120.0° | 120.0° |
| C17 | C16 | O3 | N3 | 179.1° | 180.0° |
| C17 | C16 | N3 | C15 | 1.2° | 4.7° |
| C17 | C16 | N3 | C12 | 178.6° | 174.9° |
| C16 | C17 | C43 | H52 | 61.9° | 62.3° |
| O3 | C16 | N3 | C15 | 179.6° | 175.3° |
| O3 | C16 | N3 | C12 | 0.6° | 5.1° |
| O3 | C16 | C17 | H10 | 170.2° | 155.1° |
| C16 | N3 | C15 | C12 | 179.8° | 179.7° |
| C16 | N3 | C15 | C14 | 164.2° | 155.6° |
| C16 | N3 | C12 | C11 | 54.3° | 59.2° |
| C16 | N3 | C12 | C13 | 170.7° | 178.7° |
| C16 | N3 | C15 | H8 | 44.8° | 85.6° |
| C16 | N3 | C15 | H9 | 76.4° | 36.7° |
| N3 | C16 | C17 | H10 | 8.9° | 24.9° |
| C16 | N3 | C12 | H26 | 69.0° | 61.7° |
| N3 | C15 | C14 | H8 | 119.4° | 118.8° |
| N3 | C15 | C14 | H9 | 119.4° | 118.9° |
| N3 | C15 | C14 | O2 | 84.3° | 155.1° |
| N3 | C15 | C14 | C13 | 34.1° | 37.0° |
| C15 | N3 | C12 | C11 | 125.5° | 120.5° |
| C15 | N3 | C12 | C13 | 9.1° | 1.0° |
| N3 | C15 | H8 | H9 | 121.8° | 122.3° |
| C15 | N3 | C12 | H26 | 111.1° | 118.6° |
| N3 | C15 | C14 | H27 | 150.3° | 81.1° |
| C14 | C15 | N3 | C12 | 16.0° | 24.1° |
| C15 | C14 | O2 | C13 | 112.8° | 112.2° |
| C15 | C14 | O2 | H27 | 124.3° | 123.8° |
| C15 | C14 | C13 | H27 | 116.1° | 118.0° |
| C15 | C14 | C13 | C12 | 38.3° | 35.5° |
| C15 | C14 | C13 | H6 | 157.1° | 153.9° |
| C15 | C14 | C13 | H7 | 80.4° | 83.0° |
| C14 | C15 | H8 | H9 | 121.8° | 122.3° |
| C15 | C14 | O2 | H28 | 180.0° | 61.4° |
| N3 | C12 | C13 | C14 | 30.3° | 22.2° |
| N3 | C12 | C11 | C13 | 116.9° | 117.8° |
| N3 | C12 | C11 | H26 | 123.7° | 121.0° |
| N3 | C12 | C13 | H26 | 121.0° | 119.5° |
| N3 | C12 | C11 | O1 | 36.7° | 0.1° |
| N3 | C12 | C11 | N2 | 144.6° | 180.0° |
| N3 | C12 | C13 | H6 | 149.1° | 140.6° |
| N3 | C12 | C13 | H7 | 88.4° | 96.4° |
| C12 | N3 | C15 | H8 | 135.4° | 94.7° |
| C12 | N3 | C15 | H9 | 103.4° | 143.0° |
| O2 | C14 | C13 | H27 | 124.0° | 123.9° |
| O2 | C14 | C13 | C12 | 81.6° | 153.6° |
| O2 | C14 | C13 | H6 | 37.1° | 88.1° |
| O2 | C14 | C13 | H7 | 159.6° | 35.1° |
| O2 | C14 | C15 | H8 | 35.1° | 36.3° |
| O2 | C14 | C15 | H9 | 156.3° | 86.0° |
| C14 | C13 | C12 | C11 | 149.6° | 97.2° |
| C14 | C13 | C12 | H6 | 118.8° | 118.3° |
| C14 | C13 | C12 | H7 | 118.7° | 118.6° |
| C14 | C13 | H6 | H7 | 123.6° | 123.4° |
| C13 | C14 | C15 | H8 | 153.5° | 81.8° |
| C13 | C14 | C15 | H9 | 85.3° | 155.9° |
| C14 | C13 | C12 | H26 | 90.7° | 141.7° |
| C13 | C14 | O2 | H28 | 67.2° | 173.6° |
| C11 | C12 | C13 | H26 | 119.7° | 121.0° |
| C12 | C11 | O1 | N2 | 178.6° | 180.0° |
| C12 | C11 | N2 | C9 | 177.0° | 180.0° |
| C11 | C12 | C13 | H6 | 91.6° | 21.1° |
| C11 | C12 | C13 | H7 | 30.9° | 144.2° |
| C12 | C11 | N2 | H25 | 2.9° | 0.0° |
| C13 | C12 | C11 | O1 | 80.2° | 117.8° |
| C13 | C12 | C11 | N2 | 98.5° | 62.2° |
| C12 | C13 | H6 | H7 | 123.6° | 123.1° |
| C12 | C13 | C14 | H27 | 154.4° | 82.5° |
| O1 | C11 | N2 | C9 | 1.6° | 0.0° |
| O1 | C11 | N2 | H25 | 178.4° | 180.0° |
| O1 | C11 | C12 | H26 | 160.4° | 121.0° |
| C11 | N2 | C9 | H25 | 180.0° | 180.0° |
| C11 | N2 | C9 | C10 | 155.3° | 85.0° |
| C11 | N2 | C9 | C8 | 89.6° | 155.0° |
| C11 | N2 | C9 | H24 | 32.5° | 35.0° |
| N2 | C11 | C12 | H26 | 20.9° | 59.0° |
| N2 | C9 | C10 | C8 | 116.5° | 120.0° |
| N2 | C9 | C10 | H24 | 123.5° | 120.0° |
| N2 | C9 | C8 | H24 | 122.5° | 120.0° |
| N2 | C9 | C8 | C46 | 19.3° | 140.0° |
| N2 | C9 | C8 | C7 | 163.5° | 39.8° |
| N2 | C9 | C10 | H3 | 180.0° | 180.0° |
| N2 | C9 | C10 | H4 | 60.0° | 60.0° |
| N2 | C9 | C10 | H5 | 60.0° | 60.0° |
| C10 | C9 | C8 | H24 | 119.6° | 119.9° |
| C10 | C9 | C8 | C46 | 98.6° | 99.9° |
| C10 | C9 | C8 | C7 | 78.6° | 80.3° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C10 | C9 | N2 | H25 | 24.8° | 95.0° |
| C9 | C8 | C46 | C7 | 177.2° | 179.8° |
| C9 | C8 | C46 | C47 | 178.4° | 180.0° |
| C9 | C8 | C7 | C6 | 178.4° | 179.7° |
| C9 | C8 | C7 | H2 | 1.6° | 0.2° |
| C8 | C9 | C10 | H3 | 63.5° | 60.0° |
| C8 | C9 | C10 | H4 | 176.4° | 180.0° |
| C8 | C9 | C10 | H5 | 56.5° | 60.1° |
| C8 | C9 | N2 | H25 | 90.4° | 25.0° |
| C9 | C8 | C46 | H59 | 1.6° | 0.2° |
| C8 | C46 | C47 | H59 | 180.0° | 179.8° |
| C46 | C8 | C7 | C6 | 1.2° | 0.1° |
| C8 | C46 | C47 | C5 | 0.2° | 0.4° |
| C46 | C8 | C7 | H2 | 178.8° | 180.0° |
| C46 | C8 | C9 | H24 | 141.8° | 20.0° |
| C8 | C46 | C47 | H60 | 179.8° | 180.0° |
| C7 | C8 | C46 | C47 | 1.2° | 0.2° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | H1 | 179.9° | 179.9° |
| C7 | C8 | C9 | H24 | 41.0° | 159.8° |
| C7 | C8 | C46 | H59 | 178.8° | 180.0° |
| C46 | C47 | C5 | H60 | 180.0° | 179.6° |
| C46 | C47 | C5 | C6 | 0.8° | 0.4° |
| C46 | C47 | C5 | C4 | 179.2° | 179.8° |
| C7 | C6 | C5 | C47 | 0.9° | 0.2° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.2° | 180.0° |
| C47 | C5 | C6 | C4 | 178.4° | 179.8° |
| C47 | C5 | C4 | S | 43.7° | 48.5° |
| C47 | C5 | C4 | C2 | 132.0° | 131.5° |
| C47 | C5 | C6 | H1 | 179.2° | 179.8° |
| C5 | C47 | C46 | H59 | 179.8° | 179.7° |
| C6 | C5 | C4 | S | 137.9° | 131.8° |
| C6 | C5 | C4 | C2 | 46.4° | 48.2° |
| C5 | C6 | C7 | H2 | 179.9° | 180.0° |
| C6 | C5 | C47 | H60 | 179.2° | 180.0° |
| C5 | C4 | S | C2 | 176.5° | 180.0° |
| C5 | C4 | S | C3 | 178.1° | 180.0° |
| C5 | C4 | C2 | C1 | 2.7° | 0.0° |
| C5 | C4 | C2 | N1 | 178.1° | 180.0° |
| C4 | C5 | C6 | H1 | 0.8° | 0.0° |
| C4 | C5 | C47 | H60 | 0.8° | 0.2° |
| S | C4 | C2 | C1 | 178.9° | 180.0° |
| S | C4 | C2 | N1 | 1.8° | 0.0° |
| C4 | S | C3 | N1 | 0.9° | 0.0° |
| C4 | S | C3 | H23 | 179.1° | 180.0° |
| C2 | C4 | S | C3 | 1.5° | 0.0° |
| C4 | C2 | C1 | N1 | 179.2° | 180.0° |
| C4 | C2 | N1 | C3 | 1.2° | 0.0° |
| C4 | C2 | C1 | H20 | 179.2° | 94.2° |
| C4 | C2 | C1 | H21 | 59.2° | 145.8° |
| C4 | C2 | C1 | H22 | 60.8° | 25.8° |
| S | C3 | N1 | C2 | 0.1° | 0.0° |
| S | C3 | N1 | H23 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 179.5° | 180.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H22 | 120.0° | 120.1° |
| C2 | C1 | H21 | H22 | 120.0° | 120.1° |
| N1 | C2 | C1 | H20 | 0.0° | 85.8° |
| N1 | C2 | C1 | H21 | 120.0° | 34.2° |
| N1 | C2 | C1 | H22 | 120.0° | 154.2° |
| C2 | N1 | C3 | H23 | 179.9° | 180.0° |
| H1 | C6 | C7 | H2 | 0.1° | 0.0° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H3 | C10 | C9 | H24 | 56.5° | 60.0° |
| H4 | C10 | C9 | H24 | 63.5° | 60.1° |
| H5 | C10 | C9 | H24 | 176.5° | 180.0° |
| H6 | C13 | C12 | H26 | 28.1° | 99.9° |
| H6 | C13 | C14 | H27 | 86.8° | 35.8° |
| H7 | C13 | C12 | H26 | 150.6° | 23.1° |
| H7 | C13 | C14 | H27 | 35.6° | 159.0° |
| H8 | C15 | C14 | H27 | 90.3° | 160.1° |
| H9 | C15 | C14 | H27 | 30.9° | 37.7° |
| H10 | C17 | C43 | H52 | 179.0° | 177.7° |
| H11 | C21 | C22 | H12 | 60.1° | 180.0° |
| H11 | C21 | C22 | H13 | 179.8° | 60.0° |
| H11 | C21 | C22 | H14 | 59.9° | 60.0° |
| H11 | C21 | C23 | H30 | 169.8° | 65.0° |
| H11 | C21 | C23 | H31 | 50.2° | 175.0° |
| H12 | C22 | H13 | H14 | 120.0° | 120.0° |
| H15 | C24 | C25 | H33 | 16.7° | 1.6° |
| H15 | C24 | C25 | H34 | 138.1° | 120.5° |
| H16 | C24 | C25 | H33 | 104.7° | 122.7° |
| H16 | C24 | C25 | H34 | 16.7° | 0.6° |
| H17 | C26 | C25 | H33 | 133.7° | 22.6° |
| H17 | C26 | C25 | H34 | 12.2° | 144.8° |
| H17 | C26 | C42 | H50 | 35.8° | 37.6° |
| H17 | C26 | C42 | H51 | 157.3° | 160.7° |
| H18 | C28 | C27 | H36 | 59.1° | 178.1° |
| H18 | C28 | C27 | H37 | 60.5° | 58.1° |
| H19 | C28 | C27 | H36 | 178.6° | 58.0° |
| H19 | C28 | C27 | H37 | 59.0° | 62.0° |
| H20 | C1 | H21 | H22 | 120.0° | 119.9° |
| H24 | C9 | N2 | H25 | 147.5° | 145.0° |
| H27 | C14 | O2 | H28 | 55.7° | 62.4° |
| H39 | C33 | C34 | H40 | 1.5° | 0.0° |
| H40 | C34 | C35 | H41 | 0.9° | 0.2° |
| H41 | C35 | C36 | H42 | 0.5° | 0.3° |
| H44 | N9 | C39 | H45 | 11.8° | 19.4° |
| H44 | N9 | C39 | H46 | 131.0° | 101.6° |
| H45 | C39 | C40 | H47 | 41.4° | 60.9° |
| H46 | C39 | C40 | H47 | 160.6° | 178.1° |
| H47 | C40 | C41 | H48 | 58.0° | 178.7° |
| H47 | C40 | C41 | H49 | 177.2° | 58.4° |
| H52 | C43 | C44 | H53 | 60.4° | 55.7° |
| H52 | C43 | C44 | H54 | 179.6° | 64.3° |
| H52 | C43 | C44 | H55 | 59.7° | 175.7° |
| H52 | C43 | C45 | H56 | 61.5° | 60.0° |
| H52 | C43 | C45 | H57 | 178.5° | 60.0° |
| H52 | C43 | C45 | H58 | 58.5° | 179.9° |
| H53 | C44 | H54 | H55 | 120.0° | 120.1° |
| H56 | C45 | H57 | H58 | 120.0° | 120.0° |
| H59 | C46 | C47 | H60 | 0.2° | 0.2° |
