PRD_002208
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.48Å | 1.48Å | |
| C2 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | C12 | sing | 1.46Å | 1.41Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | O2 | doub | 1.21Å | 1.26Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| N2 | C21 | sing | 1.46Å | 1.45Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | O3 | doub | 1.21Å | 1.23Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | C24 | sing | 1.47Å | 1.48Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | O4 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.22Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| N4 | C31 | sing | 1.46Å | 1.44Å | |
| N4 | H39 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | C35 | sing | 1.53Å | 1.50Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | C33 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.48Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | N5 | sing | 1.47Å | 1.48Å | |
| C34 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C37 | sing | 1.47Å | 1.48Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | C39 | sing | 1.53Å | 1.50Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| O6 | C42 | sing | 1.43Å | 1.43Å | |
| C42 | C40 | sing | 1.53Å | 1.55Å | |
| N6 | C40 | sing | 1.46Å | 1.46Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C41 | O7 | doub | 1.21Å | 1.21Å | |
| C41 | O8 | sing | 1.34Å | 1.34Å | |
| O8 | C43 | sing | 1.45Å | 1.42Å | |
| N6 | H59 | sing | 0.97Å | 1.00Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | H63 | sing | 0.97Å | 0.95Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C2 | N1 | sing | 1.35Å | 1.32Å | |
| C13 | N2 | sing | 1.35Å | 1.33Å | |
| C22 | N3 | sing | 1.35Å | 1.33Å | |
| C25 | N4 | sing | 1.35Å | 1.30Å | |
| C30 | N6 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C6 | 105.4° | 109.5° |
| C3 | C4 | C5 | 108.6° | 109.5° |
| C3 | C4 | C7 | 110.4° | 109.5° |
| C4 | C3 | H2 | 109.5° | 109.4° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C6 | C4 | C5 | 109.2° | 109.4° |
| C6 | C4 | C7 | 113.1° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.5° |
| C5 | C4 | C7 | 110.0° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C7 | C1 | 121.5° | 119.9° |
| C4 | C7 | C8 | 120.8° | 119.9° |
| C1 | C7 | C8 | 117.6° | 120.3° |
| C7 | C1 | C11 | 121.0° | 120.2° |
| C7 | C1 | H1 | 119.5° | 119.9° |
| C7 | C8 | C9 | 121.1° | 120.2° |
| C7 | C8 | H11 | 119.4° | 119.9° |
| C1 | C11 | C10 | 120.4° | 119.8° |
| C11 | C1 | H1 | 119.5° | 120.0° |
| C1 | C11 | H13 | 119.8° | 120.0° |
| C8 | C9 | C10 | 121.1° | 119.8° |
| C9 | C8 | H11 | 119.4° | 119.9° |
| C8 | C9 | H12 | 119.4° | 120.1° |
| C11 | C10 | C9 | 118.6° | 119.7° |
| C11 | C10 | C2 | 121.5° | 120.1° |
| C10 | C11 | H13 | 119.8° | 120.1° |
| C9 | C10 | C2 | 119.9° | 120.1° |
| C10 | C9 | H12 | 119.4° | 120.1° |
| C10 | C2 | O1 | 115.8° | 120.0° |
| C10 | C2 | N1 | 117.2° | 120.0° |
| O1 | C2 | N1 | 126.7° | 120.0° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H2 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.5° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H10 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C12 | N1 | H14 | 118.0° | 120.0° |
| N1 | C12 | C13 | 112.8° | 109.5° |
| N1 | C12 | C14 | 108.3° | 109.5° |
| N1 | C12 | H15 | 109.5° | 109.5° |
| C12 | N1 | C2 | 124.1° | 120.0° |
| H14 | N1 | C2 | 118.0° | 120.0° |
| C13 | C12 | C14 | 110.7° | 109.5° |
| C13 | C12 | H15 | 107.7° | 109.5° |
| C12 | C13 | O2 | 123.0° | 120.0° |
| C12 | C13 | N2 | 113.8° | 120.0° |
| C14 | C12 | H15 | 107.8° | 109.4° |
| C12 | C14 | C15 | 113.3° | 109.5° |
| C12 | C14 | H16 | 108.5° | 109.4° |
| C12 | C14 | H17 | 108.5° | 109.5° |
| O2 | C13 | N2 | 123.2° | 120.0° |
| C15 | C14 | H16 | 108.5° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.5° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | C17 | 120.6° | 120.0° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| C16 | C15 | C17 | 119.1° | 120.0° |
| C15 | C16 | C18 | 121.2° | 120.0° |
| C15 | C16 | H18 | 119.4° | 120.0° |
| C15 | C17 | C19 | 119.3° | 120.0° |
| C15 | C17 | H19 | 120.3° | 119.9° |
| C18 | C16 | H18 | 119.4° | 119.9° |
| C16 | C18 | C20 | 118.9° | 120.0° |
| C16 | C18 | H20 | 120.6° | 120.1° |
| C19 | C17 | H19 | 120.4° | 120.0° |
| C17 | C19 | C20 | 120.0° | 120.0° |
| C17 | C19 | H21 | 120.0° | 120.1° |
| C20 | C18 | H20 | 120.5° | 120.0° |
| C18 | C20 | C19 | 121.4° | 120.0° |
| C18 | C20 | H22 | 119.3° | 120.0° |
| C20 | C19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H22 | 119.3° | 120.0° |
| C21 | N2 | H23 | 118.8° | 120.0° |
| N2 | C21 | C22 | 109.8° | 109.5° |
| N2 | C21 | C23 | 108.9° | 109.5° |
| N2 | C21 | H24 | 109.9° | 109.5° |
| C21 | N2 | C13 | 122.5° | 120.0° |
| H23 | N2 | C13 | 118.8° | 120.0° |
| C22 | C21 | C23 | 110.7° | 109.4° |
| C22 | C21 | H24 | 108.8° | 109.4° |
| C21 | C22 | O3 | 119.5° | 120.0° |
| C21 | C22 | N3 | 113.8° | 120.0° |
| C23 | C21 | H24 | 108.8° | 109.5° |
| C21 | C23 | H25 | 109.5° | 109.5° |
| C21 | C23 | H26 | 109.5° | 109.5° |
| C21 | C23 | H27 | 109.4° | 109.5° |
| O3 | C22 | N3 | 126.6° | 120.0° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.4° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| C24 | N3 | H28 | 117.7° | 120.0° |
| N3 | C24 | C25 | 107.9° | 109.5° |
| N3 | C24 | C26 | 111.4° | 109.5° |
| N3 | C24 | H29 | 109.9° | 109.5° |
| C24 | N3 | C22 | 124.5° | 120.0° |
| H28 | N3 | C22 | 117.7° | 120.0° |
| C25 | C24 | C26 | 109.1° | 109.5° |
| C25 | C24 | H29 | 109.1° | 109.5° |
| C24 | C25 | O4 | 120.6° | 120.0° |
| C24 | C25 | N4 | 115.3° | 120.0° |
| C26 | C24 | H29 | 109.4° | 109.4° |
| C24 | C26 | C27 | 116.3° | 109.5° |
| C24 | C26 | H30 | 107.7° | 109.5° |
| C24 | C26 | H31 | 107.8° | 109.5° |
| O4 | C25 | N4 | 124.0° | 120.0° |
| C27 | C26 | H30 | 107.7° | 109.4° |
| C27 | C26 | H31 | 107.7° | 109.5° |
| C26 | C27 | C28 | 110.6° | 109.5° |
| C26 | C27 | C29 | 109.9° | 109.5° |
| C26 | C27 | H32 | 108.1° | 109.4° |
| H30 | C26 | H31 | 109.5° | 109.5° |
| C28 | C27 | C29 | 111.5° | 109.5° |
| C28 | C27 | H32 | 108.4° | 109.4° |
| C27 | C28 | H33 | 109.5° | 109.5° |
| C27 | C28 | H34 | 109.4° | 109.4° |
| C27 | C28 | H35 | 109.5° | 109.5° |
| C29 | C27 | H32 | 108.2° | 109.5° |
| C27 | C29 | H36 | 109.5° | 109.5° |
| C27 | C29 | H37 | 109.5° | 109.5° |
| C27 | C29 | H38 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H38 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.4° | 109.5° |
| O5 | C30 | C31 | 116.9° | 120.0° |
| O5 | C30 | N6 | 125.8° | 120.0° |
| C30 | C31 | N4 | 107.0° | 109.5° |
| C30 | C31 | C32 | 114.1° | 109.5° |
| C30 | C31 | H40 | 108.7° | 109.5° |
| C31 | C30 | N6 | 117.3° | 120.0° |
| C31 | N4 | H39 | 119.2° | 120.0° |
| N4 | C31 | C32 | 108.4° | 109.5° |
| N4 | C31 | H40 | 109.9° | 109.5° |
| C31 | N4 | C25 | 121.6° | 120.0° |
| H39 | N4 | C25 | 119.2° | 120.0° |
| C32 | C31 | H40 | 108.7° | 109.4° |
| C31 | C32 | C35 | 109.7° | 109.4° |
| C31 | C32 | H41 | 109.4° | 109.4° |
| C31 | C32 | H42 | 109.4° | 109.5° |
| C35 | C32 | H41 | 109.4° | 109.5° |
| C35 | C32 | H42 | 109.4° | 109.5° |
| C32 | C35 | C33 | 112.7° | 109.4° |
| C32 | C35 | H47 | 108.6° | 109.4° |
| C32 | C35 | H48 | 108.6° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| C35 | C33 | C34 | 110.6° | 109.4° |
| C35 | C33 | H43 | 109.2° | 109.5° |
| C35 | C33 | H44 | 109.2° | 109.4° |
| C33 | C35 | H47 | 108.7° | 109.5° |
| C33 | C35 | H48 | 108.7° | 109.5° |
| C34 | C33 | H43 | 109.2° | 109.5° |
| C34 | C33 | H44 | 109.2° | 109.5° |
| C33 | C34 | N5 | 115.9° | 109.4° |
| C33 | C34 | H45 | 107.8° | 109.4° |
| C33 | C34 | H46 | 107.8° | 109.5° |
| H43 | C33 | H44 | 109.4° | 109.5° |
| N5 | C34 | H45 | 107.9° | 109.5° |
| N5 | C34 | H46 | 107.8° | 109.5° |
| C34 | N5 | C36 | 111.7° | 111.0° |
| C34 | N5 | C37 | 110.3° | 111.0° |
| H45 | C34 | H46 | 109.5° | 109.5° |
| H47 | C35 | H48 | 109.5° | 109.5° |
| C36 | N5 | C37 | 105.2° | 111.0° |
| N5 | C36 | C38 | 115.7° | 109.5° |
| N5 | C36 | H49 | 107.9° | 109.5° |
| N5 | C36 | H50 | 107.9° | 109.5° |
| N5 | C37 | C39 | 116.4° | 109.5° |
| N5 | C37 | H51 | 107.7° | 109.5° |
| N5 | C37 | H52 | 107.7° | 109.5° |
| C38 | C36 | H49 | 107.9° | 109.4° |
| C38 | C36 | H50 | 107.9° | 109.5° |
| C36 | C38 | H53 | 109.5° | 109.5° |
| C36 | C38 | H54 | 109.5° | 109.4° |
| C36 | C38 | H55 | 109.5° | 109.4° |
| H49 | C36 | H50 | 109.5° | 109.5° |
| C39 | C37 | H51 | 107.7° | 109.4° |
| C39 | C37 | H52 | 107.7° | 109.4° |
| C37 | C39 | H56 | 109.5° | 109.4° |
| C37 | C39 | H57 | 109.4° | 109.4° |
| C37 | C39 | H58 | 109.4° | 109.5° |
| H51 | C37 | H52 | 109.4° | 109.5° |
| H53 | C38 | H54 | 109.5° | 109.6° |
| H53 | C38 | H55 | 109.4° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.4° |
| H56 | C39 | H57 | 109.5° | 109.5° |
| H56 | C39 | H58 | 109.4° | 109.5° |
| H57 | C39 | H58 | 109.5° | 109.5° |
| O6 | C42 | C40 | 113.1° | 109.5° |
| O6 | C42 | H61 | 108.5° | 109.5° |
| O6 | C42 | H62 | 108.5° | 109.5° |
| C42 | O6 | H63 | 109.5° | 114.0° |
| C42 | C40 | N6 | 111.5° | 109.5° |
| C42 | C40 | C41 | 111.8° | 109.5° |
| C42 | C40 | H60 | 109.7° | 109.5° |
| C40 | C42 | H61 | 108.5° | 109.5° |
| C40 | C42 | H62 | 108.5° | 109.5° |
| N6 | C40 | C41 | 102.8° | 109.5° |
| C40 | N6 | H59 | 117.7° | 120.0° |
| N6 | C40 | H60 | 111.0° | 109.5° |
| C40 | N6 | C30 | 124.5° | 120.0° |
| C40 | C41 | O7 | 121.1° | 120.0° |
| C40 | C41 | O8 | 119.3° | 119.9° |
| C41 | C40 | H60 | 109.9° | 109.4° |
| O7 | C41 | O8 | 119.3° | 120.1° |
| C41 | O8 | C43 | 117.0° | 116.9° |
| O8 | C43 | H64 | 109.5° | 109.4° |
| O8 | C43 | H65 | 109.4° | 109.4° |
| O8 | C43 | H66 | 109.4° | 109.5° |
| H59 | N6 | C30 | 117.7° | 120.0° |
| H61 | C42 | H62 | 109.5° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.5° |
| H64 | C43 | H66 | 109.4° | 109.6° |
| H65 | C43 | H66 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C6 | C5 | 116.5° | 120.0° |
| C3 | C4 | C6 | C7 | 120.6° | 120.0° |
| C3 | C4 | C5 | C7 | 120.9° | 120.0° |
| C3 | C4 | C7 | C1 | 75.5° | 60.0° |
| C3 | C4 | C7 | C8 | 102.6° | 120.0° |
| C4 | C3 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | H2 | H4 | 120.0° | 120.0° |
| C4 | C3 | H3 | H4 | 120.0° | 120.1° |
| C3 | C4 | C5 | H5 | 180.0° | 59.9° |
| C3 | C4 | C5 | H6 | 60.0° | 180.0° |
| C3 | C4 | C5 | H7 | 60.0° | 60.0° |
| C3 | C4 | C6 | H8 | 180.0° | 60.0° |
| C3 | C4 | C6 | H9 | 60.0° | 180.0° |
| C3 | C4 | C6 | H10 | 60.0° | 60.0° |
| C6 | C4 | C5 | C7 | 124.7° | 120.0° |
| C6 | C4 | C7 | C1 | 166.7° | 180.0° |
| C6 | C4 | C7 | C8 | 15.2° | 0.0° |
| C6 | C4 | C3 | H2 | 180.0° | 180.0° |
| C6 | C4 | C3 | H3 | 60.0° | 60.0° |
| C6 | C4 | C3 | H4 | 60.0° | 60.0° |
| C6 | C4 | C5 | H5 | 65.6° | 60.0° |
| C6 | C4 | C5 | H6 | 54.4° | 60.0° |
| C6 | C4 | C5 | H7 | 174.4° | 180.0° |
| C4 | C6 | H8 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H10 | 120.0° | 120.0° |
| C4 | C6 | H9 | H10 | 120.0° | 120.1° |
| C5 | C4 | C7 | C1 | 44.3° | 60.0° |
| C5 | C4 | C7 | C8 | 137.6° | 120.0° |
| C5 | C4 | C3 | H2 | 63.1° | 60.0° |
| C5 | C4 | C3 | H3 | 56.9° | 180.0° |
| C5 | C4 | C3 | H4 | 176.9° | 59.9° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C4 | C5 | H5 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C4 | C6 | H8 | 63.5° | 180.0° |
| C5 | C4 | C6 | H9 | 176.4° | 60.0° |
| C5 | C4 | C6 | H10 | 56.5° | 60.0° |
| C4 | C7 | C1 | C8 | 178.2° | 179.9° |
| C4 | C7 | C1 | C11 | 179.3° | 180.0° |
| C4 | C7 | C8 | C9 | 176.8° | 179.9° |
| C4 | C7 | C1 | H1 | 0.7° | 0.2° |
| C7 | C4 | C3 | H2 | 57.6° | 60.0° |
| C7 | C4 | C3 | H3 | 177.6° | 60.0° |
| C7 | C4 | C3 | H4 | 62.4° | 180.0° |
| C7 | C4 | C5 | H5 | 59.1° | 180.0° |
| C7 | C4 | C5 | H6 | 179.1° | 60.0° |
| C7 | C4 | C5 | H7 | 60.9° | 60.0° |
| C7 | C4 | C6 | H8 | 59.4° | 60.0° |
| C7 | C4 | C6 | H9 | 60.7° | 60.0° |
| C7 | C4 | C6 | H10 | 179.4° | 180.0° |
| C4 | C7 | C8 | H11 | 3.3° | 0.0° |
| C7 | C1 | C11 | H1 | 180.0° | 179.8° |
| C1 | C7 | C8 | C9 | 1.4° | 0.0° |
| C7 | C1 | C11 | C10 | 3.2° | 0.1° |
| C1 | C7 | C8 | H11 | 178.6° | 180.0° |
| C7 | C1 | C11 | H13 | 176.8° | 179.7° |
| C8 | C7 | C1 | C11 | 1.2° | 0.0° |
| C7 | C8 | C9 | H11 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 2.0° | 0.0° |
| C8 | C7 | C1 | H1 | 178.9° | 179.8° |
| C7 | C8 | C9 | H12 | 178.0° | 180.0° |
| C1 | C11 | C10 | H13 | 180.0° | 179.6° |
| C1 | C11 | C10 | C9 | 2.6° | 0.0° |
| C1 | C11 | C10 | C2 | 178.2° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | H12 | 180.0° | 180.0° |
| C8 | C9 | C10 | C2 | 179.3° | 180.0° |
| C11 | C10 | C9 | C2 | 179.3° | 180.0° |
| C11 | C10 | C2 | O1 | 152.0° | 180.0° |
| C10 | C11 | C1 | H1 | 176.9° | 179.8° |
| C11 | C10 | C9 | H12 | 180.0° | 180.0° |
| C11 | C10 | C2 | N1 | 33.7° | 0.0° |
| C9 | C10 | C2 | O1 | 27.3° | 0.0° |
| C10 | C9 | C8 | H11 | 178.0° | 180.0° |
| C9 | C10 | C11 | H13 | 177.5° | 179.7° |
| C9 | C10 | C2 | N1 | 147.0° | 180.0° |
| C10 | C2 | O1 | N1 | 173.7° | 180.0° |
| C2 | C10 | C9 | H12 | 0.7° | 0.0° |
| C2 | C10 | C11 | H13 | 1.8° | 0.3° |
| C10 | C2 | N1 | C12 | 175.2° | 180.0° |
| C10 | C2 | N1 | H14 | 4.8° | 0.0° |
| O1 | C2 | N1 | C12 | 1.6° | 0.0° |
| O1 | C2 | N1 | H14 | 178.4° | 180.0° |
| H1 | C1 | C11 | H13 | 3.1° | 0.1° |
| H2 | C3 | H3 | H4 | 120.0° | 120.0° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H8 | C6 | H9 | H10 | 120.0° | 119.9° |
| H11 | C8 | C9 | H12 | 2.1° | 0.0° |
| C12 | N1 | H14 | C2 | 180.0° | 179.9° |
| N1 | C12 | C13 | C14 | 121.5° | 120.0° |
| N1 | C12 | C13 | H15 | 120.9° | 120.0° |
| N1 | C12 | C14 | H15 | 118.3° | 120.0° |
| N1 | C12 | C13 | O2 | 23.1° | 0.0° |
| N1 | C12 | C14 | C15 | 56.6° | 65.0° |
| N1 | C12 | C14 | H16 | 177.2° | 55.0° |
| N1 | C12 | C14 | H17 | 63.9° | 175.0° |
| N1 | C12 | C13 | N2 | 157.2° | 180.0° |
| H14 | N1 | C12 | C13 | 27.1° | 25.0° |
| H14 | N1 | C12 | C14 | 95.8° | 95.1° |
| H14 | N1 | C12 | H15 | 147.0° | 145.0° |
| C13 | C12 | C14 | H15 | 117.6° | 120.0° |
| C12 | C13 | O2 | N2 | 179.7° | 180.0° |
| C13 | C12 | C14 | C15 | 67.5° | 175.0° |
| C13 | C12 | C14 | H16 | 53.1° | 65.0° |
| C13 | C12 | C14 | H17 | 172.0° | 55.0° |
| C12 | C13 | N2 | C21 | 168.1° | 180.0° |
| C12 | C13 | N2 | H23 | 11.8° | 0.0° |
| C13 | C12 | N1 | C2 | 152.9° | 155.0° |
| C14 | C12 | C13 | O2 | 98.4° | 120.0° |
| C12 | C14 | C15 | H16 | 120.6° | 119.9° |
| C12 | C14 | C15 | H17 | 120.6° | 120.0° |
| C12 | C14 | H16 | H17 | 118.3° | 120.0° |
| C12 | C14 | C15 | C16 | 88.9° | 90.0° |
| C12 | C14 | C15 | C17 | 89.6° | 90.3° |
| C14 | C12 | N1 | C2 | 84.2° | 85.0° |
| C14 | C12 | C13 | N2 | 81.3° | 60.0° |
| H15 | C12 | C13 | O2 | 144.0° | 120.0° |
| H15 | C12 | C14 | C15 | 174.9° | 55.0° |
| H15 | C12 | C14 | H16 | 64.5° | 175.0° |
| H15 | C12 | C14 | H17 | 54.4° | 65.0° |
| H15 | C12 | N1 | C2 | 33.0° | 35.0° |
| H15 | C12 | C13 | N2 | 36.3° | 60.0° |
| O2 | C13 | N2 | C21 | 12.1° | 0.0° |
| O2 | C13 | N2 | H23 | 167.9° | 180.0° |
| C15 | C14 | H16 | H17 | 118.2° | 120.1° |
| C14 | C15 | C16 | C17 | 178.5° | 179.6° |
| C14 | C15 | C16 | C18 | 177.6° | 180.0° |
| C14 | C15 | C16 | H18 | 2.4° | 0.1° |
| C14 | C15 | C17 | C19 | 178.4° | 180.0° |
| C14 | C15 | C17 | H19 | 1.6° | 0.1° |
| H16 | C14 | C15 | C16 | 150.5° | 29.9° |
| H16 | C14 | C15 | C17 | 31.0° | 149.7° |
| H17 | C14 | C15 | C16 | 31.7° | 149.9° |
| H17 | C14 | C15 | C17 | 149.9° | 29.7° |
| C15 | C16 | C18 | H18 | 180.0° | 179.9° |
| C16 | C15 | C17 | C19 | 0.1° | 0.4° |
| C16 | C15 | C17 | H19 | 179.9° | 179.7° |
| C15 | C16 | C18 | C20 | 1.9° | 0.0° |
| C15 | C16 | C18 | H20 | 178.1° | 179.9° |
| C17 | C15 | C16 | C18 | 0.9° | 0.3° |
| C17 | C15 | C16 | H18 | 179.1° | 179.7° |
| C15 | C17 | C19 | H19 | 180.0° | 179.9° |
| C15 | C17 | C19 | C20 | 0.3° | 0.1° |
| C15 | C17 | C19 | H21 | 179.7° | 180.0° |
| C16 | C18 | C20 | H20 | 180.0° | 179.9° |
| C16 | C18 | C20 | C19 | 2.1° | 0.3° |
| C16 | C18 | C20 | H22 | 177.9° | 180.0° |
| H18 | C16 | C18 | C20 | 178.1° | 180.0° |
| H18 | C16 | C18 | H20 | 1.9° | 0.0° |
| C17 | C19 | C20 | C18 | 1.3° | 0.2° |
| C17 | C19 | C20 | H21 | 180.0° | 179.9° |
| C17 | C19 | C20 | H22 | 178.7° | 180.0° |
| H19 | C17 | C19 | C20 | 179.7° | 180.0° |
| H19 | C17 | C19 | H21 | 0.3° | 0.1° |
| C18 | C20 | C19 | H22 | 180.0° | 179.7° |
| C18 | C20 | C19 | H21 | 178.7° | 179.7° |
| H20 | C18 | C20 | C19 | 177.9° | 179.8° |
| H20 | C18 | C20 | H22 | 2.1° | 0.1° |
| H21 | C19 | C20 | H22 | 1.3° | 0.1° |
| C21 | N2 | H23 | C13 | 180.0° | 180.0° |
| N2 | C21 | C22 | C23 | 120.2° | 120.0° |
| N2 | C21 | C22 | H24 | 120.3° | 120.0° |
| N2 | C21 | C23 | H24 | 119.8° | 120.0° |
| N2 | C21 | C22 | O3 | 17.8° | 0.0° |
| N2 | C21 | C23 | H25 | 180.0° | 60.0° |
| N2 | C21 | C23 | H26 | 60.0° | 180.0° |
| N2 | C21 | C23 | H27 | 60.0° | 60.0° |
| N2 | C21 | C22 | N3 | 163.7° | 180.0° |
| H23 | N2 | C21 | C22 | 12.9° | 25.0° |
| H23 | N2 | C21 | C23 | 108.4° | 95.0° |
| H23 | N2 | C21 | H24 | 132.6° | 145.0° |
| C22 | C21 | C23 | H24 | 119.5° | 119.9° |
| C21 | C22 | O3 | N3 | 178.3° | 180.0° |
| C22 | C21 | C23 | H25 | 59.2° | 60.1° |
| C22 | C21 | C23 | H26 | 179.3° | 60.0° |
| C22 | C21 | C23 | H27 | 60.8° | 180.0° |
| C21 | C22 | N3 | C24 | 176.4° | 180.0° |
| C21 | C22 | N3 | H28 | 3.6° | 0.1° |
| C22 | C21 | N2 | C13 | 167.1° | 155.0° |
| C23 | C21 | C22 | O3 | 102.4° | 120.0° |
| C21 | C23 | H25 | H26 | 120.0° | 120.1° |
| C21 | C23 | H25 | H27 | 120.0° | 120.0° |
| C21 | C23 | H26 | H27 | 120.0° | 120.0° |
| C23 | C21 | N2 | C13 | 71.6° | 85.0° |
| C23 | C21 | C22 | N3 | 76.1° | 60.0° |
| H24 | C21 | C22 | O3 | 138.2° | 120.0° |
| H24 | C21 | C23 | H25 | 60.2° | NaN° |
| H24 | C21 | C23 | H26 | 59.8° | 60.0° |
| H24 | C21 | C23 | H27 | 179.8° | 60.0° |
| H24 | C21 | N2 | C13 | 47.5° | 35.0° |
| H24 | C21 | C22 | N3 | 43.3° | 60.0° |
| O3 | C22 | N3 | C24 | 1.9° | 0.0° |
| O3 | C22 | N3 | H28 | 178.1° | 180.0° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| C24 | N3 | H28 | C22 | 180.0° | 179.9° |
| N3 | C24 | C25 | C26 | 121.1° | 120.0° |
| N3 | C24 | C25 | H29 | 119.3° | 120.0° |
| N3 | C24 | C26 | H29 | 121.7° | 119.9° |
| N3 | C24 | C25 | O4 | 49.2° | 0.1° |
| N3 | C24 | C26 | C27 | 70.4° | 64.9° |
| N3 | C24 | C26 | H30 | 50.5° | 55.0° |
| N3 | C24 | C26 | H31 | 168.5° | 175.0° |
| N3 | C24 | C25 | N4 | 133.2° | 180.0° |
| H28 | N3 | C24 | C25 | 93.1° | 25.1° |
| H28 | N3 | C24 | C26 | 26.6° | 95.0° |
| H28 | N3 | C24 | H29 | 148.0° | 145.1° |
| C25 | C24 | C26 | H29 | 119.4° | 120.0° |
| C24 | C25 | O4 | N4 | 177.4° | 179.9° |
| C25 | C24 | C26 | C27 | 170.6° | 175.0° |
| C25 | C24 | C26 | H30 | 68.4° | 65.0° |
| C25 | C24 | C26 | H31 | 49.6° | 55.0° |
| C24 | C25 | N4 | C31 | 172.7° | 180.0° |
| C24 | C25 | N4 | H39 | 7.3° | 0.0° |
| C25 | C24 | N3 | C22 | 86.9° | 155.0° |
| C26 | C24 | C25 | O4 | 71.9° | 120.0° |
| C24 | C26 | C27 | H30 | 121.0° | 120.0° |
| C24 | C26 | C27 | H31 | 121.0° | 120.0° |
| C24 | C26 | H30 | H31 | 116.9° | 120.0° |
| C24 | C26 | C27 | C28 | 169.8° | 175.0° |
| C24 | C26 | C27 | C29 | 66.7° | 65.0° |
| C24 | C26 | C27 | H32 | 51.3° | 55.0° |
| C26 | C24 | N3 | C22 | 153.4° | 84.9° |
| C26 | C24 | C25 | N4 | 105.7° | 60.0° |
| H29 | C24 | C25 | O4 | 168.5° | 120.1° |
| H29 | C24 | C26 | C27 | 51.2° | 55.0° |
| H29 | C24 | C26 | H30 | 172.2° | 175.0° |
| H29 | C24 | C26 | H31 | 69.8° | 65.0° |
| H29 | C24 | N3 | C22 | 32.0° | 35.0° |
| H29 | C24 | C25 | N4 | 13.9° | 60.0° |
| O4 | C25 | N4 | C31 | 4.8° | 0.1° |
| O4 | C25 | N4 | H39 | 175.2° | 180.0° |
| C27 | C26 | H30 | H31 | 116.9° | 120.0° |
| C26 | C27 | C28 | C29 | 122.6° | 120.0° |
| C26 | C27 | C28 | H32 | 118.4° | 119.9° |
| C26 | C27 | C29 | H32 | 117.9° | 120.0° |
| C26 | C27 | C28 | H33 | 180.0° | 60.0° |
| C26 | C27 | C28 | H34 | 60.0° | 180.0° |
| C26 | C27 | C28 | H35 | 60.0° | 60.0° |
| C26 | C27 | C29 | H36 | 180.0° | 60.0° |
| C26 | C27 | C29 | H37 | 60.0° | 60.0° |
| C26 | C27 | C29 | H38 | 60.0° | 180.0° |
| H30 | C26 | C27 | C28 | 48.9° | 55.0° |
| H30 | C26 | C27 | C29 | 172.4° | 175.0° |
| H30 | C26 | C27 | H32 | 69.7° | 65.0° |
| H31 | C26 | C27 | C28 | 69.2° | 65.0° |
| H31 | C26 | C27 | C29 | 54.4° | 55.0° |
| H31 | C26 | C27 | H32 | 172.3° | 175.1° |
| C28 | C27 | C29 | H32 | 119.1° | 120.0° |
| C27 | C28 | H33 | H34 | 120.0° | 120.0° |
| C27 | C28 | H33 | H35 | 120.0° | 120.0° |
| C27 | C28 | H34 | H35 | 120.0° | 120.1° |
| C28 | C27 | C29 | H36 | 57.0° | 60.0° |
| C28 | C27 | C29 | H37 | 63.0° | 180.0° |
| C28 | C27 | C29 | H38 | 177.0° | 60.0° |
| C29 | C27 | C28 | H33 | 57.4° | 60.0° |
| C29 | C27 | C28 | H34 | 177.4° | 60.0° |
| C29 | C27 | C28 | H35 | 62.6° | 179.9° |
| C27 | C29 | H36 | H37 | 120.0° | 120.0° |
| C27 | C29 | H36 | H38 | 120.0° | 120.0° |
| C27 | C29 | H37 | H38 | 120.0° | 120.0° |
| H32 | C27 | C28 | H33 | 61.6° | 179.9° |
| H32 | C27 | C28 | H34 | 58.4° | 60.1° |
| H32 | C27 | C28 | H35 | 178.4° | 60.0° |
| H32 | C27 | C29 | H36 | 62.1° | 180.0° |
| H32 | C27 | C29 | H37 | 177.8° | 60.0° |
| H32 | C27 | C29 | H38 | 57.9° | 60.0° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
| H36 | C29 | H37 | H38 | 119.9° | 120.0° |
| O5 | C30 | C31 | N6 | 178.6° | 180.0° |
| O5 | C30 | C31 | N4 | 65.8° | 0.0° |
| O5 | C30 | C31 | C32 | 54.1° | 120.0° |
| O5 | C30 | C31 | H40 | 175.6° | 120.1° |
| O5 | C30 | N6 | C40 | 0.0° | 0.0° |
| O5 | C30 | N6 | H59 | 180.0° | 179.9° |
| C30 | C31 | N4 | C32 | 123.5° | 120.0° |
| C30 | C31 | N4 | H40 | 117.8° | 120.0° |
| C30 | C31 | N4 | H39 | 77.4° | 95.0° |
| C30 | C31 | C32 | H40 | 121.4° | 119.9° |
| C30 | C31 | C32 | C35 | 66.6° | 175.0° |
| C30 | C31 | C32 | H41 | 173.4° | 65.0° |
| C30 | C31 | C32 | H42 | 53.4° | 55.0° |
| C31 | C30 | N6 | C40 | 178.4° | 180.0° |
| C31 | C30 | N6 | H59 | 1.6° | 0.1° |
| C30 | C31 | N4 | C25 | 102.6° | 85.0° |
| C31 | N4 | H39 | C25 | 180.0° | 180.0° |
| N4 | C31 | C32 | H40 | 119.5° | 120.1° |
| N4 | C31 | C32 | C35 | 174.3° | 65.0° |
| N4 | C31 | C32 | H41 | 54.3° | 55.0° |
| N4 | C31 | C32 | H42 | 65.7° | 175.0° |
| N4 | C31 | C30 | N6 | 112.8° | 180.0° |
| H39 | N4 | C31 | C32 | 46.1° | 25.0° |
| H39 | N4 | C31 | H40 | 164.8° | 145.0° |
| C31 | C32 | C35 | H41 | 120.0° | 119.9° |
| C31 | C32 | C35 | H42 | 120.0° | 120.0° |
| C31 | C32 | H41 | H42 | 119.9° | 120.0° |
| C31 | C32 | C35 | C33 | 157.9° | 180.0° |
| C31 | C32 | C35 | H47 | 37.4° | 60.0° |
| C31 | C32 | C35 | H48 | 81.7° | 60.0° |
| C32 | C31 | N4 | C25 | 133.9° | 155.0° |
| C32 | C31 | C30 | N6 | 127.3° | 60.0° |
| H40 | C31 | C32 | C35 | 54.8° | 55.1° |
| H40 | C31 | C32 | H41 | 65.2° | 175.1° |
| H40 | C31 | C32 | H42 | 174.9° | 65.0° |
| H40 | C31 | N4 | C25 | 15.2° | 35.0° |
| H40 | C31 | C30 | N6 | 5.9° | 59.9° |
| C35 | C32 | H41 | H42 | 119.9° | 120.1° |
| C32 | C35 | C33 | H47 | 120.5° | 119.9° |
| C32 | C35 | C33 | H48 | 120.5° | 120.1° |
| C32 | C35 | C33 | C34 | 71.6° | 180.0° |
| C32 | C35 | C33 | H43 | 48.6° | 59.9° |
| C32 | C35 | C33 | H44 | 168.2° | 60.0° |
| C32 | C35 | H47 | H48 | 118.5° | 120.0° |
| H41 | C32 | C35 | C33 | 82.1° | 60.1° |
| H41 | C32 | C35 | H47 | 157.4° | 180.0° |
| H41 | C32 | C35 | H48 | 38.4° | 60.0° |
| H42 | C32 | C35 | C33 | 37.8° | 60.0° |
| H42 | C32 | C35 | H47 | 82.7° | 60.0° |
| H42 | C32 | C35 | H48 | 158.3° | NaN° |
| C35 | C33 | C34 | H43 | 120.2° | 120.0° |
| C35 | C33 | C34 | H44 | 120.2° | 119.9° |
| C35 | C33 | H43 | H44 | 119.5° | 120.0° |
| C35 | C33 | C34 | N5 | 179.1° | 180.0° |
| C35 | C33 | C34 | H45 | 60.0° | 60.0° |
| C35 | C33 | C34 | H46 | 58.2° | 60.0° |
| C33 | C35 | H47 | H48 | 118.5° | 120.0° |
| C34 | C33 | H43 | H44 | 119.5° | 120.0° |
| C33 | C34 | N5 | H45 | 120.9° | 119.9° |
| C33 | C34 | N5 | H46 | 120.9° | 120.0° |
| C33 | C34 | H45 | H46 | 117.0° | 120.0° |
| C34 | C33 | C35 | H47 | 167.9° | 60.1° |
| C34 | C33 | C35 | H48 | 48.9° | 59.9° |
| C33 | C34 | N5 | C36 | 59.2° | 170.0° |
| C33 | C34 | N5 | C37 | 175.8° | 66.1° |
| H43 | C33 | C34 | N5 | 58.9° | 60.0° |
| H43 | C33 | C34 | H45 | 179.9° | 60.0° |
| H43 | C33 | C34 | H46 | 62.0° | 180.0° |
| H43 | C33 | C35 | H47 | 71.9° | 60.0° |
| H43 | C33 | C35 | H48 | 169.0° | 180.0° |
| H44 | C33 | C34 | N5 | 60.7° | 60.0° |
| H44 | C33 | C34 | H45 | 60.2° | 180.0° |
| H44 | C33 | C34 | H46 | 178.4° | 60.0° |
| H44 | C33 | C35 | H47 | 47.8° | 180.0° |
| H44 | C33 | C35 | H48 | 71.3° | 60.0° |
| N5 | C34 | H45 | H46 | 117.1° | 120.0° |
| C34 | N5 | C36 | C37 | 119.7° | 123.9° |
| C34 | N5 | C36 | C38 | 173.5° | 76.0° |
| C34 | N5 | C36 | H49 | 52.6° | 44.0° |
| C34 | N5 | C36 | H50 | 65.6° | 164.0° |
| C34 | N5 | C37 | C39 | 60.7° | 164.8° |
| C34 | N5 | C37 | H51 | 178.3° | 75.2° |
| C34 | N5 | C37 | H52 | 60.4° | 44.8° |
| H45 | C34 | N5 | C36 | 61.7° | 50.0° |
| H45 | C34 | N5 | C37 | 54.9° | 174.0° |
| H46 | C34 | N5 | C36 | 179.8° | 70.0° |
| H46 | C34 | N5 | C37 | 63.3° | 54.0° |
| N5 | C36 | C38 | H49 | 120.9° | 120.0° |
| N5 | C36 | C38 | H50 | 120.9° | 120.1° |
| N5 | C36 | H49 | H50 | 117.2° | 120.1° |
| C36 | N5 | C37 | C39 | 178.8° | 71.2° |
| C36 | N5 | C37 | H51 | 57.7° | 48.7° |
| C36 | N5 | C37 | H52 | 60.2° | 168.8° |
| N5 | C36 | C38 | H53 | 180.0° | 172.7° |
| N5 | C36 | C38 | H54 | 60.0° | 52.6° |
| N5 | C36 | C38 | H55 | 60.0° | 67.3° |
| C37 | N5 | C36 | C38 | 66.8° | 160.1° |
| C37 | N5 | C36 | H49 | 172.2° | 80.0° |
| C37 | N5 | C36 | H50 | 54.1° | 40.1° |
| N5 | C37 | C39 | H51 | 121.0° | 120.0° |
| N5 | C37 | C39 | H52 | 121.0° | 120.0° |
| N5 | C37 | H51 | H52 | 116.9° | 120.1° |
| N5 | C37 | C39 | H56 | 180.0° | 62.8° |
| N5 | C37 | C39 | H57 | 60.0° | 57.1° |
| N5 | C37 | C39 | H58 | 60.0° | 177.1° |
| C38 | C36 | H49 | H50 | 117.2° | 120.0° |
| C36 | C38 | H53 | H54 | 120.0° | 120.0° |
| C36 | C38 | H53 | H55 | 120.0° | 120.0° |
| C36 | C38 | H54 | H55 | 120.0° | 119.9° |
| H49 | C36 | C38 | H53 | 59.1° | 67.3° |
| H49 | C36 | C38 | H54 | 179.1° | 172.6° |
| H49 | C36 | C38 | H55 | 60.9° | 52.7° |
| H50 | C36 | C38 | H53 | 59.1° | 52.7° |
| H50 | C36 | C38 | H54 | 60.9° | 67.4° |
| H50 | C36 | C38 | H55 | 179.1° | 172.7° |
| C39 | C37 | H51 | H52 | 116.9° | 119.9° |
| C37 | C39 | H56 | H57 | 120.0° | 119.9° |
| C37 | C39 | H56 | H58 | 120.0° | 120.0° |
| C37 | C39 | H57 | H58 | 120.0° | 120.0° |
| H51 | C37 | C39 | H56 | 59.0° | 177.1° |
| H51 | C37 | C39 | H57 | 179.0° | 62.9° |
| H51 | C37 | C39 | H58 | 61.0° | 57.1° |
| H52 | C37 | C39 | H56 | 59.0° | 57.2° |
| H52 | C37 | C39 | H57 | 61.0° | 177.1° |
| H52 | C37 | C39 | H58 | 179.0° | 62.9° |
| H53 | C38 | H54 | H55 | 120.0° | 120.0° |
| H56 | C39 | H57 | H58 | 120.0° | 120.1° |
| O6 | C42 | C40 | H61 | 120.5° | 120.0° |
| O6 | C42 | C40 | H62 | 120.5° | 120.0° |
| O6 | C42 | C40 | N6 | 60.9° | 65.0° |
| O6 | C42 | C40 | C41 | 53.5° | 55.0° |
| O6 | C42 | C40 | H60 | 175.7° | 175.0° |
| O6 | C42 | H61 | H62 | 118.3° | 120.0° |
| C42 | C40 | N6 | C41 | 119.9° | 120.0° |
| C42 | C40 | N6 | H60 | 122.7° | 120.0° |
| C42 | C40 | C41 | H60 | 122.1° | 120.0° |
| C42 | C40 | C41 | O7 | 0.5° | 120.0° |
| C42 | C40 | C41 | O8 | 174.1° | 60.0° |
| C42 | C40 | N6 | H59 | 18.0° | 95.1° |
| C40 | C42 | H61 | H62 | 118.3° | 120.0° |
| C40 | C42 | O6 | H63 | 46.2° | 180.0° |
| C42 | C40 | N6 | C30 | 162.0° | 85.0° |
| N6 | C40 | C41 | H60 | 118.2° | 120.0° |
| N6 | C40 | C41 | O7 | 119.2° | 0.1° |
| N6 | C40 | C41 | O8 | 54.4° | 180.0° |
| C40 | N6 | H59 | C30 | 180.0° | 179.9° |
| N6 | C40 | C42 | H61 | 59.6° | 175.0° |
| N6 | C40 | C42 | H62 | 178.5° | 55.0° |
| C40 | C41 | O7 | O8 | 173.6° | 179.9° |
| C40 | C41 | O8 | C43 | 171.2° | 180.0° |
| C41 | C40 | N6 | H59 | 101.9° | 25.0° |
| C41 | C40 | C42 | H61 | 174.0° | 65.0° |
| C41 | C40 | C42 | H62 | 67.0° | 175.0° |
| C41 | C40 | N6 | C30 | 78.1° | 155.0° |
| O7 | C41 | O8 | C43 | 2.5° | 0.0° |
| O7 | C41 | C40 | H60 | 122.6° | 120.0° |
| O8 | C41 | C40 | H60 | 63.8° | 60.0° |
| C41 | O8 | C43 | H64 | 180.0° | 60.0° |
| C41 | O8 | C43 | H65 | 60.0° | 180.0° |
| C41 | O8 | C43 | H66 | 60.0° | 60.0° |
| O8 | C43 | H64 | H65 | 120.0° | 119.9° |
| O8 | C43 | H64 | H66 | 120.0° | 120.0° |
| O8 | C43 | H65 | H66 | 120.0° | 120.0° |
| H59 | N6 | C40 | H60 | 140.7° | 144.9° |
| H60 | C40 | C42 | H61 | 63.8° | 55.0° |
| H60 | C40 | C42 | H62 | 55.2° | 65.0° |
| H60 | C40 | N6 | C30 | 39.3° | 35.0° |
| H61 | C42 | O6 | H63 | 166.7° | 60.0° |
| H62 | C42 | O6 | H63 | 74.3° | 60.0° |
| H64 | C43 | H65 | H66 | 120.0° | 120.1° |
