PRD_002284
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C1 | O2 | sing | 1.35Å | 1.40Å | |
| O2 | C2 | sing | 1.45Å | 1.44Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C13 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N3 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.23Å | |
| C16 | O6 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| O6 | H19 | sing | 0.97Å | 0.95Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C18 | sing | 1.47Å | 1.45Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | O7 | doub | 1.21Å | 1.23Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | O8 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | N6 | sing | 1.46Å | 1.46Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| N6 | C26 | sing | 1.37Å | 1.33Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C26 | N7 | sing | 1.33Å | 1.33Å | |
| C26 | N8 | doub | 1.33Å | 1.33Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| N9 | C27 | sing | 1.47Å | 1.48Å | |
| N9 | H41 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.57Å | |
| C27 | C29 | sing | 1.53Å | 1.56Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | O9 | doub | 1.21Å | 1.22Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | N10 | sing | 1.47Å | 1.47Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| N10 | H51 | sing | 1.01Å | 1.00Å | |
| N10 | H52 | sing | 1.01Å | 1.00Å | |
| N11 | H53 | sing | 0.97Å | 1.00Å | |
| N11 | H54 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.41Å | 1.52Å | |
| C33 | O10 | doub | 1.21Å | 1.21Å | |
| C34 | C35 | doub | 1.38Å | 1.36Å | Aromatic |
| C34 | O11 | sing | 1.35Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | H55 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | doub | 1.35Å | 1.35Å | Aromatic |
| C36 | H56 | sing | 1.08Å | 1.08Å | |
| C37 | O11 | sing | 1.34Å | 1.38Å | Aromatic |
| C37 | H57 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.43Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N4 | sing | 1.35Å | 1.33Å | |
| C19 | N5 | sing | 1.35Å | 1.33Å | |
| C22 | N9 | sing | 1.35Å | 1.33Å | |
| C28 | N11 | sing | 1.35Å | 1.39Å | |
| N10 | C33 | sing | 1.40Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.6° | 120.0° |
| O1 | C1 | N1 | 129.1° | 120.0° |
| C1 | O2 | C2 | 114.1° | 117.0° |
| O2 | C1 | N1 | 92.0° | 120.0° |
| O2 | C2 | C3 | 108.3° | 109.5° |
| O2 | C2 | H1 | 109.8° | 109.5° |
| O2 | C2 | H2 | 109.8° | 109.4° |
| C3 | C2 | H1 | 109.8° | 109.5° |
| C3 | C2 | H2 | 109.8° | 109.4° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | C8 | 119.9° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| C4 | C3 | C8 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H3 | 120.0° | 119.9° |
| C3 | C8 | C7 | 120.1° | 119.9° |
| C3 | C8 | H7 | 120.0° | 120.1° |
| C5 | C4 | H3 | 120.0° | 120.1° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.0° |
| C5 | C6 | H5 | 120.0° | 120.0° |
| C7 | C6 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C6 | C7 | H6 | 120.0° | 120.0° |
| C8 | C7 | H6 | 120.0° | 119.9° |
| C7 | C8 | H7 | 119.9° | 120.0° |
| C9 | N1 | H8 | 124.1° | 120.0° |
| N1 | C9 | C10 | 111.0° | 109.5° |
| N1 | C9 | C11 | 110.2° | 109.4° |
| N1 | C9 | H9 | 109.0° | 109.5° |
| C9 | N1 | C1 | 111.8° | 120.0° |
| H8 | N1 | C1 | 124.1° | 120.0° |
| C10 | C9 | C11 | 110.6° | 109.4° |
| C10 | C9 | H9 | 108.0° | 109.5° |
| C9 | C10 | O3 | 120.6° | 119.9° |
| C9 | C10 | N3 | 116.7° | 120.0° |
| C11 | C9 | H9 | 108.0° | 109.5° |
| C9 | C11 | C12 | 113.7° | 109.5° |
| C9 | C11 | H10 | 108.4° | 109.5° |
| C9 | C11 | H11 | 108.4° | 109.5° |
| O3 | C10 | N3 | 122.7° | 120.1° |
| C12 | C11 | H10 | 108.4° | 109.5° |
| C12 | C11 | H11 | 108.4° | 109.5° |
| C11 | C12 | C13 | 113.9° | 109.5° |
| C11 | C12 | H12 | 108.3° | 109.5° |
| C11 | C12 | H13 | 108.3° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| C13 | C12 | H12 | 108.4° | 109.4° |
| C13 | C12 | H13 | 108.4° | 109.5° |
| C12 | C13 | O4 | 120.6° | 120.0° |
| C12 | C13 | N2 | 116.8° | 120.0° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| O4 | C13 | N2 | 122.6° | 120.0° |
| C13 | N2 | H14 | 120.0° | 120.0° |
| C13 | N2 | H15 | 120.0° | 120.0° |
| H14 | N2 | H15 | 120.0° | 120.0° |
| C14 | N3 | H16 | 119.2° | 120.0° |
| N3 | C14 | C15 | 110.3° | 109.5° |
| N3 | C14 | C16 | 110.8° | 109.5° |
| N3 | C14 | H17 | 109.3° | 109.5° |
| C14 | N3 | C10 | 121.5° | 120.0° |
| H16 | N3 | C10 | 119.2° | 120.0° |
| C15 | C14 | C16 | 109.6° | 109.4° |
| C15 | C14 | H17 | 108.4° | 109.5° |
| C14 | C15 | O5 | 122.1° | 120.0° |
| C14 | C15 | N4 | 115.5° | 120.0° |
| C16 | C14 | H17 | 108.4° | 109.5° |
| C14 | C16 | O6 | 109.4° | 109.5° |
| C14 | C16 | C17 | 110.8° | 109.4° |
| C14 | C16 | H18 | 108.6° | 109.5° |
| O5 | C15 | N4 | 122.4° | 120.0° |
| O6 | C16 | C17 | 109.5° | 109.5° |
| O6 | C16 | H18 | 109.9° | 109.5° |
| C16 | O6 | H19 | 109.5° | 114.0° |
| C17 | C16 | H18 | 108.7° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.4° | 109.4° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H22 | 109.4° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| C18 | N4 | H23 | 119.8° | 120.1° |
| N4 | C18 | C19 | 109.8° | 109.5° |
| N4 | C18 | C20 | 110.5° | 109.4° |
| N4 | C18 | H24 | 109.3° | 109.4° |
| C18 | N4 | C15 | 120.3° | 120.0° |
| H23 | N4 | C15 | 119.8° | 120.0° |
| C19 | C18 | C20 | 110.6° | 109.5° |
| C19 | C18 | H24 | 108.3° | 109.5° |
| C18 | C19 | O7 | 122.0° | 120.0° |
| C18 | C19 | N5 | 115.4° | 120.0° |
| C20 | C18 | H24 | 108.3° | 109.5° |
| C18 | C20 | H25 | 109.5° | 109.4° |
| C18 | C20 | H26 | 109.4° | 109.4° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| O7 | C19 | N5 | 122.7° | 120.0° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H27 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| C21 | N5 | H28 | 119.3° | 119.9° |
| N5 | C21 | C22 | 110.7° | 109.5° |
| N5 | C21 | C23 | 110.6° | 109.4° |
| N5 | C21 | H29 | 109.0° | 109.4° |
| C21 | N5 | C19 | 121.4° | 120.1° |
| H28 | N5 | C19 | 119.3° | 120.0° |
| C22 | C21 | C23 | 110.2° | 109.5° |
| C22 | C21 | H29 | 108.2° | 109.5° |
| C21 | C22 | O8 | 120.7° | 120.0° |
| C21 | C22 | N9 | 116.3° | 120.0° |
| C23 | C21 | H29 | 108.1° | 109.5° |
| C21 | C23 | C24 | 114.0° | 109.5° |
| C21 | C23 | H30 | 108.3° | 109.5° |
| C21 | C23 | H31 | 108.3° | 109.5° |
| O8 | C22 | N9 | 122.9° | 120.0° |
| C24 | C23 | H30 | 108.3° | 109.5° |
| C24 | C23 | H31 | 108.3° | 109.4° |
| C23 | C24 | C25 | 111.2° | 109.5° |
| C23 | C24 | H32 | 109.0° | 109.4° |
| C23 | C24 | H33 | 109.0° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| C25 | C24 | H32 | 109.0° | 109.5° |
| C25 | C24 | H33 | 109.0° | 109.5° |
| C24 | C25 | N6 | 112.0° | 109.4° |
| C24 | C25 | H34 | 108.8° | 109.5° |
| C24 | C25 | H35 | 108.8° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
| N6 | C25 | H34 | 108.8° | 109.5° |
| N6 | C25 | H35 | 108.8° | 109.5° |
| C25 | N6 | C26 | 124.4° | 120.0° |
| C25 | N6 | H36 | 117.8° | 120.1° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| C26 | N6 | H36 | 117.8° | 119.9° |
| N6 | C26 | N7 | 120.3° | 120.0° |
| N6 | C26 | N8 | 119.9° | 120.0° |
| N7 | C26 | N8 | 119.8° | 120.0° |
| C26 | N7 | H37 | 120.0° | 120.1° |
| C26 | N7 | H38 | 120.0° | 120.0° |
| C26 | N8 | H39 | 120.0° | 120.0° |
| C26 | N8 | H40 | 120.0° | 120.0° |
| H37 | N7 | H38 | 120.0° | 119.9° |
| H39 | N8 | H40 | 120.0° | 120.0° |
| C27 | N9 | H41 | 119.4° | 120.0° |
| N9 | C27 | C28 | 105.6° | 109.5° |
| N9 | C27 | C29 | 109.5° | 109.5° |
| N9 | C27 | H42 | 111.2° | 109.5° |
| C27 | N9 | C22 | 121.3° | 120.0° |
| H41 | N9 | C22 | 119.3° | 120.0° |
| C28 | C27 | C29 | 110.7° | 109.4° |
| C28 | C27 | H42 | 109.8° | 109.4° |
| C27 | C28 | O9 | 120.3° | 120.0° |
| C27 | C28 | N11 | 120.7° | 120.0° |
| C29 | C27 | H42 | 110.0° | 109.5° |
| C27 | C29 | C30 | 113.5° | 109.5° |
| C27 | C29 | H43 | 108.4° | 109.5° |
| C27 | C29 | H44 | 108.4° | 109.5° |
| O9 | C28 | N11 | 118.9° | 120.0° |
| C30 | C29 | H43 | 108.4° | 109.5° |
| C30 | C29 | H44 | 108.5° | 109.5° |
| C29 | C30 | C31 | 115.7° | 109.5° |
| C29 | C30 | H45 | 107.9° | 109.5° |
| C29 | C30 | H46 | 107.9° | 109.4° |
| H43 | C29 | H44 | 109.5° | 109.5° |
| C31 | C30 | H45 | 107.9° | 109.5° |
| C31 | C30 | H46 | 107.9° | 109.4° |
| C30 | C31 | C32 | 115.4° | 109.5° |
| C30 | C31 | H47 | 108.0° | 109.4° |
| C30 | C31 | H48 | 107.9° | 109.4° |
| H45 | C30 | H46 | 109.5° | 109.5° |
| C32 | C31 | H47 | 107.9° | 109.5° |
| C32 | C31 | H48 | 108.0° | 109.5° |
| C31 | C32 | N10 | 115.8° | 109.4° |
| C31 | C32 | H49 | 107.9° | 109.4° |
| C31 | C32 | H50 | 107.9° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.5° |
| N10 | C32 | H49 | 107.9° | 109.4° |
| N10 | C32 | H50 | 107.8° | 109.5° |
| C32 | N10 | H51 | 105.6° | 109.4° |
| C32 | N10 | H52 | 105.6° | 109.5° |
| C32 | N10 | C33 | 124.3° | 109.4° |
| H49 | C32 | H50 | 109.5° | 109.5° |
| H51 | N10 | H52 | 109.5° | 109.5° |
| H51 | N10 | C33 | 105.6° | 109.5° |
| H52 | N10 | C33 | 105.6° | 109.5° |
| H53 | N11 | H54 | 120.0° | 120.0° |
| H53 | N11 | C28 | 120.0° | 120.0° |
| H54 | N11 | C28 | 120.0° | 120.0° |
| C34 | C33 | O10 | 117.7° | 120.0° |
| C33 | C34 | C35 | 134.1° | 126.1° |
| C33 | C34 | O11 | 116.1° | 126.1° |
| C34 | C33 | N10 | 123.0° | 120.0° |
| O10 | C33 | N10 | 119.4° | 120.0° |
| C35 | C34 | O11 | 109.8° | 107.8° |
| C34 | C35 | C36 | 107.9° | 106.5° |
| C34 | C35 | H55 | 126.0° | 126.7° |
| C34 | O11 | C37 | 105.1° | 109.4° |
| C36 | C35 | H55 | 126.1° | 126.8° |
| C35 | C36 | C37 | 105.4° | 107.2° |
| C35 | C36 | H56 | 127.3° | 126.3° |
| C37 | C36 | H56 | 127.3° | 126.5° |
| C36 | C37 | O11 | 111.8° | 109.1° |
| C36 | C37 | H57 | 124.1° | 125.5° |
| O11 | C37 | H57 | 124.1° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 138.9° | 179.7° |
| O1 | C1 | O2 | C2 | 33.5° | 0.1° |
| O1 | C1 | N1 | C9 | 33.2° | 0.0° |
| O1 | C1 | N1 | H8 | 146.8° | 180.0° |
| C1 | O2 | C2 | C3 | 117.0° | 180.0° |
| C1 | O2 | C2 | H1 | 2.8° | 60.0° |
| C1 | O2 | C2 | H2 | 123.1° | 60.1° |
| O2 | C1 | N1 | C9 | 166.4° | 179.7° |
| O2 | C1 | N1 | H8 | 13.6° | 0.3° |
| O2 | C2 | C3 | H1 | 119.8° | 120.0° |
| O2 | C2 | C3 | H2 | 119.8° | 119.9° |
| O2 | C2 | H1 | H2 | 120.5° | 120.0° |
| O2 | C2 | C3 | C4 | 105.4° | 90.1° |
| O2 | C2 | C3 | C8 | 74.4° | 90.2° |
| C2 | O2 | C1 | N1 | 172.4° | 179.8° |
| C3 | C2 | H1 | H2 | 120.6° | 120.0° |
| C2 | C3 | C4 | C8 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 0.0° | 0.0° |
| C2 | C3 | C8 | C7 | 180.0° | 179.8° |
| C2 | C3 | C8 | H7 | 0.0° | 0.0° |
| H1 | C2 | C3 | C4 | 134.8° | 30.0° |
| H1 | C2 | C3 | C8 | 45.4° | 149.7° |
| H2 | C2 | C3 | C4 | 14.4° | 150.0° |
| H2 | C2 | C3 | C8 | 165.8° | 29.7° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C4 | C3 | C8 | C7 | 0.1° | 0.5° |
| C4 | C3 | C8 | H7 | 179.9° | 179.7° |
| C8 | C3 | C4 | C5 | 0.2° | 0.3° |
| C8 | C3 | C4 | H3 | 179.8° | 179.7° |
| C3 | C8 | C7 | C6 | 0.0° | 0.5° |
| C3 | C8 | C7 | H7 | 180.0° | 179.8° |
| C3 | C8 | C7 | H6 | 180.0° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| H3 | C4 | C5 | C6 | 179.9° | 180.0° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| H4 | C5 | C6 | C7 | 180.0° | 180.0° |
| H4 | C5 | C6 | H5 | 0.0° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| H5 | C6 | C7 | C8 | 179.9° | 179.8° |
| H5 | C6 | C7 | H6 | 0.0° | 0.0° |
| H6 | C7 | C8 | H7 | 0.0° | 0.0° |
| C9 | N1 | H8 | C1 | 180.0° | 179.9° |
| N1 | C9 | C10 | C11 | 122.6° | 120.0° |
| N1 | C9 | C10 | H9 | 119.4° | 120.1° |
| N1 | C9 | C11 | H9 | 118.9° | 120.0° |
| N1 | C9 | C10 | O3 | 29.8° | 0.1° |
| N1 | C9 | C11 | C12 | 173.0° | 65.0° |
| N1 | C9 | C11 | H10 | 66.4° | 55.0° |
| N1 | C9 | C11 | H11 | 52.3° | 175.0° |
| N1 | C9 | C10 | N3 | 149.6° | 180.0° |
| H8 | N1 | C9 | C10 | 113.7° | 24.9° |
| H8 | N1 | C9 | C11 | 9.1° | 95.0° |
| H8 | N1 | C9 | H9 | 127.4° | 145.0° |
| C10 | C9 | C11 | H9 | 118.0° | 120.0° |
| C9 | C10 | O3 | N3 | 179.4° | 179.9° |
| C10 | C9 | C11 | C12 | 49.9° | 175.0° |
| C10 | C9 | C11 | H10 | 170.6° | 65.0° |
| C10 | C9 | C11 | H11 | 70.7° | 55.0° |
| C9 | C10 | N3 | C14 | 172.5° | 180.0° |
| C9 | C10 | N3 | H16 | 7.6° | 0.1° |
| C10 | C9 | N1 | C1 | 66.3° | 155.0° |
| C11 | C9 | C10 | O3 | 92.7° | 120.0° |
| C9 | C11 | C12 | H10 | 120.6° | 120.0° |
| C9 | C11 | C12 | H11 | 120.6° | 120.0° |
| C9 | C11 | H10 | H11 | 118.0° | 120.0° |
| C9 | C11 | C12 | C13 | 173.3° | 180.0° |
| C9 | C11 | C12 | H12 | 66.0° | 60.0° |
| C9 | C11 | C12 | H13 | 52.6° | 60.0° |
| C11 | C9 | N1 | C1 | 170.9° | 85.0° |
| C11 | C9 | C10 | N3 | 87.9° | 60.1° |
| H9 | C9 | C10 | O3 | 149.3° | 120.0° |
| H9 | C9 | C11 | C12 | 68.1° | 55.0° |
| H9 | C9 | C11 | H10 | 52.5° | 175.0° |
| H9 | C9 | C11 | H11 | 171.2° | 65.0° |
| H9 | C9 | N1 | C1 | 52.6° | 34.9° |
| H9 | C9 | C10 | N3 | 30.1° | 59.9° |
| O3 | C10 | N3 | C14 | 8.2° | 0.1° |
| O3 | C10 | N3 | H16 | 171.8° | 180.0° |
| C12 | C11 | H10 | H11 | 118.1° | 120.0° |
| C11 | C12 | C13 | H12 | 120.6° | 120.0° |
| C11 | C12 | C13 | H13 | 120.7° | 120.0° |
| C11 | C12 | H12 | H13 | 117.9° | 120.0° |
| C11 | C12 | C13 | O4 | 150.5° | 0.0° |
| C11 | C12 | C13 | N2 | 30.2° | 180.0° |
| H10 | C11 | C12 | C13 | 52.7° | 60.0° |
| H10 | C11 | C12 | H12 | 173.3° | 180.0° |
| H10 | C11 | C12 | H13 | 68.0° | 60.0° |
| H11 | C11 | C12 | C13 | 66.1° | 60.0° |
| H11 | C11 | C12 | H12 | 54.6° | 60.0° |
| H11 | C11 | C12 | H13 | 173.3° | 179.9° |
| C13 | C12 | H12 | H13 | 118.0° | 120.0° |
| C12 | C13 | O4 | N2 | 179.3° | 179.9° |
| C12 | C13 | N2 | H14 | 179.3° | 0.0° |
| C12 | C13 | N2 | H15 | 0.7° | 180.0° |
| H12 | C12 | C13 | O4 | 29.8° | 120.0° |
| H12 | C12 | C13 | N2 | 150.8° | 60.0° |
| H13 | C12 | C13 | O4 | 88.8° | 120.0° |
| H13 | C12 | C13 | N2 | 90.5° | 60.0° |
| O4 | C13 | N2 | H14 | 0.0° | 180.0° |
| O4 | C13 | N2 | H15 | 180.0° | 0.0° |
| C13 | N2 | H14 | H15 | 180.0° | 180.0° |
| C14 | N3 | H16 | C10 | 180.0° | 179.9° |
| N3 | C14 | C15 | C16 | 122.2° | 119.9° |
| N3 | C14 | C15 | H17 | 119.7° | 120.1° |
| N3 | C14 | C16 | H17 | 120.0° | 120.1° |
| N3 | C14 | C15 | O5 | 3.9° | 0.1° |
| N3 | C14 | C16 | O6 | 71.9° | 65.0° |
| N3 | C14 | C16 | C17 | 48.8° | 55.0° |
| N3 | C14 | C16 | H18 | 168.2° | 175.0° |
| N3 | C14 | C15 | N4 | 176.8° | 180.0° |
| H16 | N3 | C14 | C15 | 115.3° | 24.9° |
| H16 | N3 | C14 | C16 | 6.2° | 95.0° |
| H16 | N3 | C14 | H17 | 125.6° | 145.0° |
| C15 | C14 | C16 | H17 | 118.1° | 120.0° |
| C14 | C15 | O5 | N4 | 179.3° | 179.8° |
| C15 | C14 | C16 | O6 | 50.0° | 55.0° |
| C15 | C14 | C16 | C17 | 170.7° | 175.0° |
| C15 | C14 | C16 | H18 | 69.9° | 65.0° |
| C14 | C15 | N4 | C18 | 169.6° | 180.0° |
| C14 | C15 | N4 | H23 | 10.4° | 0.2° |
| C15 | C14 | N3 | C10 | 64.7° | 155.0° |
| C16 | C14 | C15 | O5 | 118.3° | 120.1° |
| C14 | C16 | O6 | C17 | 121.6° | 120.0° |
| C14 | C16 | O6 | H18 | 119.1° | 120.0° |
| C14 | C16 | C17 | H18 | 119.3° | 120.0° |
| C14 | C16 | O6 | H19 | 65.3° | 180.0° |
| C14 | C16 | C17 | H20 | 180.0° | 60.0° |
| C14 | C16 | C17 | H21 | 60.0° | 180.0° |
| C14 | C16 | C17 | H22 | 60.0° | 60.0° |
| C16 | C14 | N3 | C10 | 173.8° | 85.1° |
| C16 | C14 | C15 | N4 | 61.0° | 60.1° |
| H17 | C14 | C15 | O5 | 123.5° | 120.0° |
| H17 | C14 | C16 | O6 | 168.1° | 175.0° |
| H17 | C14 | C16 | C17 | 71.1° | 65.0° |
| H17 | C14 | C16 | H18 | 48.2° | 54.9° |
| H17 | C14 | N3 | C10 | 54.4° | 35.0° |
| H17 | C14 | C15 | N4 | 57.1° | 59.9° |
| O5 | C15 | N4 | C18 | 9.7° | 0.2° |
| O5 | C15 | N4 | H23 | 170.3° | 180.0° |
| O6 | C16 | C17 | H18 | 120.0° | 120.1° |
| O6 | C16 | C17 | H20 | 59.3° | 59.9° |
| O6 | C16 | C17 | H21 | 179.3° | 60.0° |
| O6 | C16 | C17 | H22 | 60.7° | 180.0° |
| C17 | C16 | O6 | H19 | 173.1° | 60.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| H18 | C16 | O6 | H19 | 53.8° | 60.0° |
| H18 | C16 | C17 | H20 | 60.7° | 180.0° |
| H18 | C16 | C17 | H21 | 59.3° | 60.0° |
| H18 | C16 | C17 | H22 | 179.3° | 59.9° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| C18 | N4 | H23 | C15 | 180.0° | 179.8° |
| N4 | C18 | C19 | C20 | 122.3° | 119.9° |
| N4 | C18 | C19 | H24 | 119.2° | 120.0° |
| N4 | C18 | C20 | H24 | 119.7° | 120.0° |
| N4 | C18 | C19 | O7 | 13.6° | 0.1° |
| N4 | C18 | C20 | H25 | 180.0° | 60.0° |
| N4 | C18 | C20 | H26 | 60.0° | 179.9° |
| N4 | C18 | C20 | H27 | 60.0° | 60.0° |
| N4 | C18 | C19 | N5 | 166.1° | 180.0° |
| H23 | N4 | C18 | C19 | 115.9° | 24.9° |
| H23 | N4 | C18 | C20 | 6.4° | 95.1° |
| H23 | N4 | C18 | H24 | 125.5° | 144.9° |
| C19 | C18 | C20 | H24 | 118.5° | 120.1° |
| C18 | C19 | O7 | N5 | 179.6° | 180.0° |
| C19 | C18 | C20 | H25 | 58.1° | 60.0° |
| C19 | C18 | C20 | H26 | 178.2° | 60.0° |
| C19 | C18 | C20 | H27 | 61.8° | 180.0° |
| C18 | C19 | N5 | C21 | 179.9° | 180.0° |
| C18 | C19 | N5 | H28 | 0.0° | 0.0° |
| C19 | C18 | N4 | C15 | 64.1° | 155.0° |
| C20 | C18 | C19 | O7 | 108.7° | 120.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H27 | 120.0° | 120.0° |
| C18 | C20 | H26 | H27 | 120.0° | 120.0° |
| C20 | C18 | N4 | C15 | 173.6° | 85.1° |
| C20 | C18 | C19 | N5 | 71.6° | 60.0° |
| H24 | C18 | C19 | O7 | 132.8° | 119.9° |
| H24 | C18 | C20 | H25 | 60.4° | 179.9° |
| H24 | C18 | C20 | H26 | 59.7° | 60.1° |
| H24 | C18 | C20 | H27 | 179.7° | 59.9° |
| H24 | C18 | N4 | C15 | 54.5° | 34.9° |
| H24 | C18 | C19 | N5 | 46.9° | 60.0° |
| O7 | C19 | N5 | C21 | 0.3° | 0.0° |
| O7 | C19 | N5 | H28 | 179.7° | 180.0° |
| H25 | C20 | H26 | H27 | 120.0° | 120.1° |
| C21 | N5 | H28 | C19 | 180.0° | 180.0° |
| N5 | C21 | C22 | C23 | 122.6° | 120.0° |
| N5 | C21 | C22 | H29 | 119.4° | 119.9° |
| N5 | C21 | C23 | H29 | 119.3° | 119.9° |
| N5 | C21 | C22 | O8 | 9.4° | 0.0° |
| N5 | C21 | C23 | C24 | 58.7° | 65.0° |
| N5 | C21 | C23 | H30 | 61.9° | 55.1° |
| N5 | C21 | C23 | H31 | 179.4° | 175.0° |
| N5 | C21 | C22 | N9 | 170.7° | 180.0° |
| H28 | N5 | C21 | C22 | 56.2° | 25.0° |
| H28 | N5 | C21 | C23 | 66.2° | 95.0° |
| H28 | N5 | C21 | H29 | 175.0° | 145.0° |
| C22 | C21 | C23 | H29 | 118.0° | 120.0° |
| C21 | C22 | O8 | N9 | 179.8° | 180.0° |
| C22 | C21 | C23 | C24 | 178.6° | 175.0° |
| C22 | C21 | C23 | H30 | 60.7° | 65.0° |
| C22 | C21 | C23 | H31 | 57.9° | 55.0° |
| C21 | C22 | N9 | C27 | 178.9° | 180.0° |
| C21 | C22 | N9 | H41 | 1.1° | 0.0° |
| C22 | C21 | N5 | C19 | 123.9° | 155.0° |
| C23 | C21 | C22 | O8 | 113.2° | 120.0° |
| C21 | C23 | C24 | H30 | 120.7° | 120.0° |
| C21 | C23 | C24 | H31 | 120.7° | 120.0° |
| C21 | C23 | H30 | H31 | 117.9° | 120.0° |
| C21 | C23 | C24 | C25 | 178.0° | 180.0° |
| C21 | C23 | C24 | H32 | 61.7° | 60.0° |
| C21 | C23 | C24 | H33 | 57.7° | 60.0° |
| C23 | C21 | N5 | C19 | 113.8° | 85.0° |
| C23 | C21 | C22 | N9 | 66.6° | 60.0° |
| H29 | C21 | C22 | O8 | 128.8° | 120.0° |
| H29 | C21 | C23 | C24 | 60.6° | 54.9° |
| H29 | C21 | C23 | H30 | 178.7° | 175.0° |
| H29 | C21 | C23 | H31 | 60.1° | 65.1° |
| H29 | C21 | N5 | C19 | 5.0° | 35.0° |
| H29 | C21 | C22 | N9 | 51.4° | 60.0° |
| O8 | C22 | N9 | C27 | 0.9° | 0.0° |
| O8 | C22 | N9 | H41 | 179.1° | 180.0° |
| C24 | C23 | H30 | H31 | 117.9° | 119.9° |
| C23 | C24 | C25 | H32 | 120.3° | 119.9° |
| C23 | C24 | C25 | H33 | 120.3° | 120.0° |
| C23 | C24 | H32 | H33 | 119.2° | 119.9° |
| C23 | C24 | C25 | N6 | 62.0° | 180.0° |
| C23 | C24 | C25 | H34 | 177.7° | 60.0° |
| C23 | C24 | C25 | H35 | 58.4° | 60.0° |
| H30 | C23 | C24 | C25 | 57.3° | 60.0° |
| H30 | C23 | C24 | H32 | 177.6° | 180.0° |
| H30 | C23 | C24 | H33 | 63.0° | 60.1° |
| H31 | C23 | C24 | C25 | 61.3° | 60.0° |
| H31 | C23 | C24 | H32 | 58.9° | 60.0° |
| H31 | C23 | C24 | H33 | 178.4° | 180.0° |
| C25 | C24 | H32 | H33 | 119.2° | 120.1° |
| C24 | C25 | N6 | H34 | 120.4° | 120.0° |
| C24 | C25 | N6 | H35 | 120.4° | 120.0° |
| C24 | C25 | H34 | H35 | 118.8° | 120.0° |
| C24 | C25 | N6 | C26 | 85.7° | 180.0° |
| C24 | C25 | N6 | H36 | 94.3° | 0.0° |
| H32 | C24 | C25 | N6 | 58.3° | 60.1° |
| H32 | C24 | C25 | H34 | 62.1° | 180.0° |
| H32 | C24 | C25 | H35 | 178.7° | 59.9° |
| H33 | C24 | C25 | N6 | 177.8° | 60.0° |
| H33 | C24 | C25 | H34 | 57.4° | 60.0° |
| H33 | C24 | C25 | H35 | 61.9° | 180.0° |
| N6 | C25 | H34 | H35 | 118.9° | 120.0° |
| C25 | N6 | C26 | H36 | 180.0° | 180.0° |
| C25 | N6 | C26 | N7 | 0.1° | 0.0° |
| C25 | N6 | C26 | N8 | 179.9° | 180.0° |
| H34 | C25 | N6 | C26 | 34.7° | 60.0° |
| H34 | C25 | N6 | H36 | 145.3° | 120.0° |
| H35 | C25 | N6 | C26 | 154.0° | 60.0° |
| H35 | C25 | N6 | H36 | 26.0° | 119.9° |
| N6 | C26 | N7 | N8 | 180.0° | 180.0° |
| N6 | C26 | N7 | H37 | 180.0° | 0.0° |
| N6 | C26 | N7 | H38 | 0.0° | 180.0° |
| N6 | C26 | N8 | H39 | 180.0° | 0.0° |
| N6 | C26 | N8 | H40 | 0.0° | 180.0° |
| H36 | N6 | C26 | N7 | 179.9° | 180.0° |
| H36 | N6 | C26 | N8 | 0.1° | 0.0° |
| C26 | N7 | H37 | H38 | 180.0° | 179.9° |
| N7 | C26 | N8 | H39 | 0.0° | 180.0° |
| N7 | C26 | N8 | H40 | 180.0° | 0.0° |
| N8 | C26 | N7 | H37 | 0.0° | 180.0° |
| N8 | C26 | N7 | H38 | 180.0° | 0.1° |
| C26 | N8 | H39 | H40 | 180.0° | 180.0° |
| C27 | N9 | H41 | C22 | 180.0° | 180.0° |
| N9 | C27 | C28 | C29 | 118.4° | 120.0° |
| N9 | C27 | C28 | H42 | 120.0° | 120.1° |
| N9 | C27 | C29 | H42 | 122.4° | 120.1° |
| N9 | C27 | C28 | O9 | 25.7° | 0.0° |
| N9 | C27 | C29 | C30 | 64.6° | 65.0° |
| N9 | C27 | C29 | H43 | 174.8° | 55.0° |
| N9 | C27 | C29 | H44 | 56.0° | 175.0° |
| N9 | C27 | C28 | N11 | 154.5° | 180.0° |
| H41 | N9 | C27 | C28 | 31.7° | 94.9° |
| H41 | N9 | C27 | C29 | 87.5° | 25.0° |
| H41 | N9 | C27 | H42 | 150.8° | 145.0° |
| C28 | C27 | C29 | H42 | 121.6° | 120.0° |
| C27 | C28 | O9 | N11 | 179.8° | 180.0° |
| C28 | C27 | C29 | C30 | 51.4° | 175.0° |
| C28 | C27 | C29 | H43 | 69.2° | 65.0° |
| C28 | C27 | C29 | H44 | 172.1° | 55.0° |
| C27 | C28 | N11 | H53 | 179.8° | 0.0° |
| C27 | C28 | N11 | H54 | 0.2° | 180.0° |
| C28 | C27 | N9 | C22 | 148.3° | 85.0° |
| C29 | C27 | C28 | O9 | 92.7° | 120.0° |
| C27 | C29 | C30 | H43 | 120.6° | 120.0° |
| C27 | C29 | C30 | H44 | 120.6° | 120.0° |
| C27 | C29 | H43 | H44 | 118.1° | 120.0° |
| C27 | C29 | C30 | C31 | 179.9° | 180.0° |
| C27 | C29 | C30 | H45 | 59.0° | 60.0° |
| C27 | C29 | C30 | H46 | 59.2° | 60.1° |
| C29 | C27 | N9 | C22 | 92.5° | 155.0° |
| C29 | C27 | C28 | N11 | 87.1° | 60.0° |
| H42 | C27 | C28 | O9 | 145.7° | 120.1° |
| H42 | C27 | C29 | C30 | 173.0° | 55.0° |
| H42 | C27 | C29 | H43 | 52.4° | 175.1° |
| H42 | C27 | C29 | H44 | 66.4° | 64.9° |
| H42 | C27 | N9 | C22 | 29.2° | 35.0° |
| H42 | C27 | C28 | N11 | 34.5° | 60.0° |
| O9 | C28 | N11 | H53 | 0.0° | 180.0° |
| O9 | C28 | N11 | H54 | 180.0° | 0.0° |
| C30 | C29 | H43 | H44 | 118.2° | 120.0° |
| C29 | C30 | C31 | H45 | 120.9° | 120.1° |
| C29 | C30 | C31 | H46 | 120.9° | 120.0° |
| C29 | C30 | H45 | H46 | 117.2° | 120.0° |
| C29 | C30 | C31 | C32 | 162.7° | 179.9° |
| C29 | C30 | C31 | H47 | 76.5° | 60.0° |
| C29 | C30 | C31 | H48 | 41.8° | 60.0° |
| H43 | C29 | C30 | C31 | 59.5° | 60.0° |
| H43 | C29 | C30 | H45 | 179.6° | NaN° |
| H43 | C29 | C30 | H46 | 61.4° | 60.0° |
| H44 | C29 | C30 | C31 | 59.3° | 60.0° |
| H44 | C29 | C30 | H45 | 61.6° | 60.0° |
| H44 | C29 | C30 | H46 | 179.8° | 180.0° |
| C31 | C30 | H45 | H46 | 117.2° | 119.9° |
| C30 | C31 | C32 | H47 | 120.9° | 119.9° |
| C30 | C31 | C32 | H48 | 120.9° | 120.0° |
| C30 | C31 | H47 | H48 | 117.3° | 120.0° |
| C30 | C31 | C32 | N10 | 170.7° | 180.0° |
| C30 | C31 | C32 | H49 | 68.3° | 60.1° |
| C30 | C31 | C32 | H50 | 49.8° | 60.0° |
| H45 | C30 | C31 | C32 | 41.8° | 60.0° |
| H45 | C30 | C31 | H47 | 162.6° | 179.9° |
| H45 | C30 | C31 | H48 | 79.1° | 60.0° |
| H46 | C30 | C31 | C32 | 76.4° | 60.0° |
| H46 | C30 | C31 | H47 | 44.4° | 60.0° |
| H46 | C30 | C31 | H48 | 162.7° | 180.0° |
| C32 | C31 | H47 | H48 | 117.3° | 120.1° |
| C31 | C32 | N10 | H49 | 120.9° | 119.9° |
| C31 | C32 | N10 | H50 | 121.0° | 120.0° |
| C31 | C32 | H49 | H50 | 117.1° | 120.0° |
| C31 | C32 | N10 | H51 | 114.9° | 60.1° |
| C31 | C32 | N10 | H52 | 1.1° | 59.9° |
| C31 | C32 | N10 | C33 | 123.1° | 180.0° |
| H47 | C31 | C32 | N10 | 49.9° | 60.1° |
| H47 | C31 | C32 | H49 | 170.8° | 180.0° |
| H47 | C31 | C32 | H50 | 71.0° | 59.9° |
| H48 | C31 | C32 | N10 | 68.4° | 60.0° |
| H48 | C31 | C32 | H49 | 52.5° | 59.9° |
| H48 | C31 | C32 | H50 | 170.7° | 180.0° |
| N10 | C32 | H49 | H50 | 117.1° | 120.0° |
| C32 | N10 | H51 | H52 | 113.3° | 120.0° |
| C32 | N10 | H51 | C33 | 133.4° | 120.0° |
| C32 | N10 | H52 | C33 | 133.3° | 120.0° |
| C32 | N10 | C33 | C34 | 179.7° | 180.0° |
| C32 | N10 | C33 | O10 | 0.2° | 0.0° |
| H49 | C32 | N10 | H51 | 124.2° | 179.9° |
| H49 | C32 | N10 | H52 | 119.8° | 60.0° |
| H49 | C32 | N10 | C33 | 2.2° | 60.1° |
| H50 | C32 | N10 | H51 | 6.1° | 60.0° |
| H50 | C32 | N10 | H52 | 122.0° | 180.0° |
| H50 | C32 | N10 | C33 | 116.0° | 60.0° |
| H51 | N10 | H52 | C33 | 113.3° | 120.0° |
| H51 | N10 | C33 | C34 | 58.2° | 60.0° |
| H51 | N10 | C33 | O10 | 121.9° | 120.0° |
| H52 | N10 | C33 | C34 | 57.7° | 60.0° |
| H52 | N10 | C33 | O10 | 122.2° | 120.0° |
| H53 | N11 | H54 | C28 | 180.0° | 180.0° |
| C34 | C33 | O10 | N10 | 179.9° | 180.0° |
| C33 | C34 | C35 | O11 | 179.5° | 179.7° |
| C33 | C34 | C35 | C36 | 179.9° | 180.0° |
| C33 | C34 | C35 | H55 | 0.1° | 0.1° |
| C33 | C34 | O11 | C37 | 179.9° | 179.9° |
| O10 | C33 | C34 | C35 | 4.4° | 0.0° |
| O10 | C33 | C34 | O11 | 176.1° | 179.7° |
| C34 | C35 | C36 | H55 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.4° | 0.1° |
| C34 | C35 | C36 | H56 | 179.6° | 180.0° |
| C35 | C34 | O11 | C37 | 0.3° | 0.4° |
| C35 | C34 | C33 | N10 | 175.5° | 180.0° |
| O11 | C34 | C35 | C36 | 0.5° | 0.3° |
| O11 | C34 | C35 | H55 | 179.5° | 179.8° |
| C34 | O11 | C37 | C36 | 0.0° | 0.4° |
| C34 | O11 | C37 | H57 | 179.9° | 179.8° |
| O11 | C34 | C33 | N10 | 3.9° | 0.4° |
| C35 | C36 | C37 | H56 | 180.0° | 180.0° |
| C35 | C36 | C37 | O11 | 0.2° | 0.2° |
| C35 | C36 | C37 | H57 | 179.8° | 180.0° |
| H55 | C35 | C36 | C37 | 179.6° | 180.0° |
| H55 | C35 | C36 | H56 | 0.4° | 0.1° |
| C36 | C37 | O11 | H57 | 180.0° | 179.9° |
| H56 | C36 | C37 | O11 | 179.7° | 179.8° |
| H56 | C36 | C37 | H57 | 0.2° | 0.1° |
