V1J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C14 | O8 | sing | 1.43Å | 1.42Å | |
| O7 | C13 | sing | 1.43Å | 1.41Å | |
| O7 | C12 | sing | 1.43Å | 1.41Å | |
| C7 | O4 | sing | 1.43Å | 1.19Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| O8 | C15 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O6 | sing | 1.43Å | 1.43Å | |
| O5 | C8 | sing | 1.43Å | 1.40Å | |
| O5 | C9 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | O6 | sing | 1.43Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | O9 | sing | 1.43Å | 1.42Å | |
| O9 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | O13 | sing | 1.43Å | 1.41Å | |
| C18 | O10 | sing | 1.43Å | 1.41Å | |
| O12 | C23 | sing | 1.43Å | 1.41Å | |
| O12 | C22 | sing | 1.43Å | 1.40Å | |
| O13 | C25 | sing | 1.43Å | 1.41Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | O11 | sing | 1.43Å | 1.42Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | O11 | sing | 1.43Å | 1.41Å | |
| O10 | C19 | sing | 1.43Å | 1.41Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | O14 | sing | 1.43Å | 1.41Å | |
| O14 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C29 | sing | 1.43Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C31 | sing | 1.43Å | 1.41Å | |
| O20 | C39 | sing | 1.43Å | 1.20Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | O19 | sing | 1.43Å | 1.40Å | |
| C32 | O17 | sing | 1.43Å | 1.41Å | |
| O17 | C33 | sing | 1.43Å | 1.42Å | |
| O19 | C36 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | O18 | sing | 1.43Å | 1.42Å | |
| C34 | O18 | sing | 1.43Å | 1.42Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C19 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C25 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C20 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| C35 | H71 | sing | 1.09Å | 1.10Å | |
| C36 | H73 | sing | 1.09Å | 1.10Å | |
| C36 | H72 | sing | 1.09Å | 1.10Å | |
| C37 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H75 | sing | 1.09Å | 1.10Å | |
| C38 | H77 | sing | 1.09Å | 1.10Å | |
| C38 | H76 | sing | 1.09Å | 1.10Å | |
| C39 | H79 | sing | 1.09Å | 1.10Å | |
| C39 | H78 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | O8 | 111.2° | 109.5° |
| C14 | C13 | O7 | 109.9° | 109.5° |
| C14 | C13 | H26 | 109.4° | 109.4° |
| C14 | C13 | H27 | 109.4° | 109.5° |
| C13 | C14 | H28 | 109.1° | 109.5° |
| C13 | C14 | H29 | 109.0° | 109.5° |
| C14 | O8 | C15 | 116.6° | 114.0° |
| O8 | C14 | H28 | 109.0° | 109.4° |
| O8 | C14 | H29 | 109.1° | 109.5° |
| C13 | O7 | C12 | 120.6° | 114.0° |
| O7 | C13 | H26 | 109.4° | 109.5° |
| O7 | C13 | H27 | 109.3° | 109.5° |
| O7 | C12 | C11 | 115.1° | 109.4° |
| O7 | C12 | H25 | 108.1° | 109.5° |
| O7 | C12 | H24 | 108.1° | 109.5° |
| O4 | C7 | C8 | 112.6° | 109.5° |
| O4 | C7 | H15 | 108.7° | 109.5° |
| O4 | C7 | H14 | 108.7° | 109.5° |
| C7 | O4 | H2 | 109.5° | 114.0° |
| C7 | C8 | O5 | 110.5° | 109.5° |
| C8 | C7 | H15 | 108.7° | 109.5° |
| C8 | C7 | H14 | 108.7° | 109.4° |
| C7 | C8 | H16 | 109.2° | 109.5° |
| C7 | C8 | H17 | 109.2° | 109.4° |
| O8 | C15 | C16 | 125.1° | 109.5° |
| O8 | C15 | H31 | 105.4° | 109.5° |
| O8 | C15 | H30 | 105.4° | 109.5° |
| C12 | C11 | O6 | 118.5° | 109.4° |
| C11 | C12 | H25 | 108.0° | 109.4° |
| C11 | C12 | H24 | 108.0° | 109.5° |
| C12 | C11 | H22 | 107.2° | 109.4° |
| C12 | C11 | H23 | 107.1° | 109.5° |
| C11 | O6 | C10 | 113.4° | 114.0° |
| O6 | C11 | H22 | 107.2° | 109.5° |
| O6 | C11 | H23 | 107.2° | 109.5° |
| C8 | O5 | C9 | 122.3° | 114.0° |
| O5 | C8 | H16 | 109.2° | 109.5° |
| O5 | C8 | H17 | 109.2° | 109.5° |
| O5 | C9 | C10 | 114.7° | 109.5° |
| O5 | C9 | H19 | 108.1° | 109.5° |
| O5 | C9 | H18 | 108.1° | 109.5° |
| C9 | C10 | O6 | 116.3° | 109.5° |
| C9 | C10 | H20 | 107.7° | 109.5° |
| C9 | C10 | H21 | 107.7° | 109.5° |
| C10 | C9 | H19 | 108.2° | 109.4° |
| C10 | C9 | H18 | 108.2° | 109.5° |
| O6 | C10 | H20 | 107.7° | 109.4° |
| O6 | C10 | H21 | 107.8° | 109.5° |
| C15 | C16 | O9 | 106.1° | 109.5° |
| C16 | C15 | H31 | 105.4° | 109.5° |
| C16 | C15 | H30 | 105.4° | 109.4° |
| C15 | C16 | H32 | 110.3° | 109.5° |
| C15 | C16 | H33 | 110.3° | 109.4° |
| C16 | O9 | C17 | 116.3° | 114.0° |
| O9 | C16 | H32 | 110.3° | 109.5° |
| O9 | C16 | H33 | 110.3° | 109.5° |
| O9 | C17 | C18 | 114.3° | 109.5° |
| O9 | C17 | H35 | 108.2° | 109.5° |
| O9 | C17 | H34 | 108.2° | 109.4° |
| C17 | C18 | O10 | 114.1° | 109.5° |
| C18 | C17 | H35 | 108.2° | 109.5° |
| C18 | C17 | H34 | 108.2° | 109.5° |
| C17 | C18 | H36 | 108.3° | 109.5° |
| C17 | C18 | H37 | 108.3° | 109.5° |
| C23 | C24 | O13 | 114.4° | 109.5° |
| C24 | C23 | O12 | 107.5° | 109.5° |
| C23 | C24 | H48 | 108.3° | 109.5° |
| C23 | C24 | H49 | 108.2° | 109.4° |
| C24 | C23 | H46 | 110.0° | 109.5° |
| C24 | C23 | H47 | 109.9° | 109.5° |
| C24 | O13 | C25 | 117.8° | 114.0° |
| O13 | C24 | H48 | 108.2° | 109.5° |
| O13 | C24 | H49 | 108.2° | 109.5° |
| C18 | O10 | C19 | 119.3° | 114.0° |
| O10 | C18 | H36 | 108.3° | 109.5° |
| O10 | C18 | H37 | 108.3° | 109.4° |
| C23 | O12 | C22 | 117.9° | 114.0° |
| O12 | C23 | H46 | 109.9° | 109.5° |
| O12 | C23 | H47 | 109.9° | 109.4° |
| O12 | C22 | C21 | 114.7° | 109.5° |
| O12 | C22 | H45 | 108.1° | 109.5° |
| O12 | C22 | H44 | 108.1° | 109.5° |
| O13 | C25 | C26 | 118.2° | 109.5° |
| O13 | C25 | H51 | 107.3° | 109.5° |
| O13 | C25 | H50 | 107.3° | 109.4° |
| C22 | C21 | O11 | 110.6° | 109.5° |
| C22 | C21 | H42 | 109.2° | 109.5° |
| C22 | C21 | H43 | 109.2° | 109.5° |
| C21 | C22 | H45 | 108.1° | 109.5° |
| C21 | C22 | H44 | 108.1° | 109.5° |
| C21 | O11 | C20 | 114.4° | 114.0° |
| O11 | C21 | H42 | 109.2° | 109.4° |
| O11 | C21 | H43 | 109.2° | 109.5° |
| C19 | C20 | O11 | 116.4° | 109.5° |
| C20 | C19 | O10 | 115.0° | 109.5° |
| C20 | C19 | H38 | 108.1° | 109.5° |
| C20 | C19 | H39 | 108.1° | 109.5° |
| C19 | C20 | H40 | 107.7° | 109.5° |
| C19 | C20 | H41 | 107.7° | 109.5° |
| O11 | C20 | H40 | 107.7° | 109.5° |
| O11 | C20 | H41 | 107.7° | 109.5° |
| O10 | C19 | H38 | 108.1° | 109.5° |
| O10 | C19 | H39 | 108.1° | 109.5° |
| C25 | C26 | O14 | 109.4° | 109.5° |
| C26 | C25 | H51 | 107.2° | 109.5° |
| C26 | C25 | H50 | 107.2° | 109.4° |
| C25 | C26 | H52 | 109.5° | 109.5° |
| C25 | C26 | H53 | 109.5° | 109.4° |
| C26 | O14 | C27 | 118.7° | 113.9° |
| O14 | C26 | H52 | 109.5° | 109.4° |
| O14 | C26 | H53 | 109.5° | 109.5° |
| O14 | C27 | C28 | 108.3° | 109.4° |
| O14 | C27 | H55 | 109.7° | 109.5° |
| O14 | C27 | H54 | 109.8° | 109.5° |
| C27 | C28 | O15 | 120.5° | 109.5° |
| C28 | C27 | H55 | 109.8° | 109.4° |
| C28 | C27 | H54 | 109.7° | 109.5° |
| C27 | C28 | H56 | 106.6° | 109.4° |
| C27 | C28 | H57 | 106.6° | 109.5° |
| C28 | O15 | C29 | 116.4° | 114.0° |
| O15 | C28 | H56 | 106.7° | 109.5° |
| O15 | C28 | H57 | 106.7° | 109.5° |
| O15 | C29 | C30 | 115.3° | 109.5° |
| O15 | C29 | H59 | 108.0° | 109.4° |
| O15 | C29 | H58 | 108.0° | 109.5° |
| C29 | C30 | O16 | 109.0° | 109.5° |
| C30 | C29 | H59 | 108.0° | 109.5° |
| C30 | C29 | H58 | 108.0° | 109.5° |
| C29 | C30 | H60 | 109.6° | 109.4° |
| C29 | C30 | H61 | 109.6° | 109.5° |
| C30 | O16 | C31 | 117.6° | 114.0° |
| O16 | C30 | H60 | 109.6° | 109.4° |
| O16 | C30 | H61 | 109.6° | 109.4° |
| O16 | C31 | C32 | 113.7° | 109.4° |
| O16 | C31 | H63 | 108.4° | 109.5° |
| O16 | C31 | H62 | 108.4° | 109.5° |
| O20 | C39 | C38 | 116.1° | 109.5° |
| O20 | C39 | H79 | 107.8° | 109.5° |
| O20 | C39 | H78 | 107.8° | 109.5° |
| C39 | O20 | H1 | 109.5° | 114.0° |
| C39 | C38 | C37 | 113.5° | 109.4° |
| C39 | C38 | H77 | 108.5° | 109.5° |
| C39 | C38 | H76 | 108.5° | 109.5° |
| C38 | C39 | H79 | 107.8° | 109.5° |
| C38 | C39 | H78 | 107.8° | 109.5° |
| C31 | C32 | O17 | 107.2° | 109.5° |
| C31 | C32 | H64 | 110.0° | 109.4° |
| C31 | C32 | H65 | 110.1° | 109.5° |
| C32 | C31 | H63 | 108.4° | 109.5° |
| C32 | C31 | H62 | 108.4° | 109.5° |
| C38 | C37 | O19 | 111.6° | 109.4° |
| C38 | C37 | H74 | 108.9° | 109.5° |
| C38 | C37 | H75 | 108.9° | 109.5° |
| C37 | C38 | H77 | 108.5° | 109.5° |
| C37 | C38 | H76 | 108.5° | 109.4° |
| C37 | O19 | C36 | 125.0° | 114.0° |
| O19 | C37 | H74 | 108.9° | 109.5° |
| O19 | C37 | H75 | 109.0° | 109.5° |
| C32 | O17 | C33 | 123.6° | 114.0° |
| O17 | C32 | H64 | 110.1° | 109.4° |
| O17 | C32 | H65 | 110.0° | 109.5° |
| O17 | C33 | C34 | 113.7° | 109.5° |
| O17 | C33 | H67 | 108.4° | 109.5° |
| O17 | C33 | H66 | 108.4° | 109.4° |
| O19 | C36 | C35 | 121.8° | 109.5° |
| O19 | C36 | H73 | 106.3° | 109.5° |
| O19 | C36 | H72 | 106.3° | 109.5° |
| C36 | C35 | O18 | 117.5° | 109.4° |
| C36 | C35 | H70 | 107.4° | 109.5° |
| C36 | C35 | H71 | 107.4° | 109.5° |
| C35 | C36 | H73 | 106.3° | 109.4° |
| C35 | C36 | H72 | 106.3° | 109.5° |
| C35 | O18 | C34 | 113.4° | 114.0° |
| O18 | C35 | H70 | 107.4° | 109.5° |
| O18 | C35 | H71 | 107.4° | 109.5° |
| O18 | C34 | C33 | 115.5° | 109.5° |
| O18 | C34 | H69 | 108.0° | 109.5° |
| O18 | C34 | H68 | 108.0° | 109.5° |
| C33 | C34 | H69 | 107.9° | 109.4° |
| C33 | C34 | H68 | 107.9° | 109.5° |
| C34 | C33 | H67 | 108.4° | 109.5° |
| C34 | C33 | H66 | 108.4° | 109.5° |
| H15 | C7 | H14 | 109.5° | 109.4° |
| H25 | C12 | H24 | 109.4° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H31 | C15 | H30 | 109.5° | 109.4° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H38 | C19 | H39 | 109.5° | 109.4° |
| H48 | C24 | H49 | 109.4° | 109.5° |
| H55 | C27 | H54 | 109.5° | 109.5° |
| H64 | C32 | H65 | 109.4° | 109.5° |
| H69 | C34 | H68 | 109.5° | 109.5° |
| H35 | C17 | H34 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.4° |
| H46 | C23 | H47 | 109.5° | 109.5° |
| H51 | C25 | H50 | 109.5° | 109.5° |
| H52 | C26 | H53 | 109.5° | 109.6° |
| H56 | C28 | H57 | 109.5° | 109.5° |
| H59 | C29 | H58 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.4° |
| H22 | C11 | H23 | 109.5° | 109.4° |
| H40 | C20 | H41 | 109.5° | 109.4° |
| H42 | C21 | H43 | 109.5° | 109.5° |
| H45 | C22 | H44 | 109.5° | 109.5° |
| H60 | C30 | H61 | 109.5° | 109.5° |
| H63 | C31 | H62 | 109.5° | 109.5° |
| H67 | C33 | H66 | 109.5° | 109.5° |
| H70 | C35 | H71 | 109.5° | 109.5° |
| H73 | C36 | H72 | 109.5° | 109.5° |
| H74 | C37 | H75 | 109.5° | 109.5° |
| H77 | C38 | H76 | 109.4° | 109.5° |
| H79 | C39 | H78 | 109.5° | 109.4° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| H19 | C9 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | O8 | H28 | 120.3° | 120.0° |
| C13 | C14 | O8 | H29 | 120.3° | 120.0° |
| C14 | C13 | O7 | H26 | 120.1° | 119.9° |
| C14 | C13 | O7 | H27 | 120.1° | 120.0° |
| C14 | C13 | O7 | C12 | 94.2° | 179.9° |
| C13 | C14 | O8 | C15 | 45.9° | 180.0° |
| C14 | C13 | H26 | H27 | 119.8° | 120.0° |
| C13 | C14 | H28 | H29 | 119.2° | 120.0° |
| O8 | C14 | C13 | O7 | 60.2° | 65.0° |
| C14 | O8 | C15 | C16 | 52.6° | 180.0° |
| O8 | C14 | C13 | H26 | 59.9° | 175.0° |
| O8 | C14 | C13 | H27 | 179.8° | 55.0° |
| O8 | C14 | H28 | H29 | 119.2° | 120.0° |
| C14 | O8 | C15 | H31 | 69.5° | 60.0° |
| C14 | O8 | C15 | H30 | 174.7° | 60.0° |
| C13 | O7 | C12 | C11 | 109.2° | 180.0° |
| C13 | O7 | C12 | H25 | 11.7° | 60.1° |
| C13 | O7 | C12 | H24 | 130.0° | 60.0° |
| O7 | C13 | H26 | H27 | 119.8° | 120.1° |
| O7 | C13 | C14 | H28 | 60.1° | 175.0° |
| O7 | C13 | C14 | H29 | 179.5° | 55.0° |
| O7 | C12 | C11 | H25 | 120.9° | 119.9° |
| O7 | C12 | C11 | H24 | 120.8° | 120.1° |
| O7 | C12 | C11 | O6 | 105.1° | 65.0° |
| O7 | C12 | H25 | H24 | 117.4° | 120.1° |
| C12 | O7 | C13 | H26 | 25.8° | 60.0° |
| C12 | O7 | C13 | H27 | 145.7° | 60.0° |
| O7 | C12 | C11 | H22 | 133.6° | 174.9° |
| O7 | C12 | C11 | H23 | 16.2° | 55.0° |
| O4 | C7 | C8 | H15 | 120.5° | 120.0° |
| O4 | C7 | C8 | H14 | 120.4° | 120.0° |
| O4 | C7 | C8 | O5 | 123.6° | 65.0° |
| O4 | C7 | H15 | H14 | 118.5° | 120.0° |
| O4 | C7 | C8 | H16 | 116.2° | 175.0° |
| O4 | C7 | C8 | H17 | 3.5° | 55.0° |
| C7 | C8 | O5 | H16 | 120.2° | 120.0° |
| C7 | C8 | O5 | H17 | 120.1° | 120.0° |
| C7 | C8 | O5 | C9 | 144.9° | 180.0° |
| C8 | C7 | H15 | H14 | 118.6° | 120.0° |
| C7 | C8 | H16 | H17 | 119.5° | 120.0° |
| C8 | C7 | O4 | H2 | 180.0° | 180.0° |
| O8 | C15 | C16 | H31 | 122.1° | 120.1° |
| O8 | C15 | C16 | H30 | 122.1° | 120.0° |
| O8 | C15 | C16 | O9 | 153.6° | 65.0° |
| C15 | O8 | C14 | H28 | 166.2° | 60.0° |
| C15 | O8 | C14 | H29 | 74.4° | 60.0° |
| O8 | C15 | H31 | H30 | 113.0° | 120.0° |
| O8 | C15 | C16 | H32 | 34.1° | 175.0° |
| O8 | C15 | C16 | H33 | 86.9° | 55.0° |
| C12 | C11 | O6 | H22 | 121.3° | 119.9° |
| C12 | C11 | O6 | H23 | 121.3° | 120.0° |
| C12 | C11 | O6 | C10 | 138.4° | 180.0° |
| C11 | C12 | H25 | H24 | 117.4° | 120.0° |
| C12 | C11 | H22 | H23 | 115.9° | 120.0° |
| C11 | O6 | C10 | C9 | 155.7° | 180.0° |
| O6 | C11 | C12 | H25 | 15.7° | 175.0° |
| O6 | C11 | C12 | H24 | 134.0° | 55.0° |
| C11 | O6 | C10 | H20 | 34.7° | 60.0° |
| C11 | O6 | C10 | H21 | 83.3° | 60.0° |
| O6 | C11 | H22 | H23 | 115.9° | 120.1° |
| C8 | O5 | C9 | C10 | 131.7° | 180.0° |
| O5 | C8 | C7 | H15 | 3.2° | 175.0° |
| O5 | C8 | C7 | H14 | 115.9° | 55.0° |
| O5 | C8 | H16 | H17 | 119.5° | 120.0° |
| C8 | O5 | C9 | H19 | 107.5° | 60.0° |
| C8 | O5 | C9 | H18 | 11.0° | 60.0° |
| O5 | C9 | C10 | H19 | 120.8° | 120.0° |
| O5 | C9 | C10 | H18 | 120.8° | 120.0° |
| O5 | C9 | C10 | O6 | 109.0° | 65.0° |
| O5 | C9 | C10 | H20 | 11.9° | 175.0° |
| O5 | C9 | C10 | H21 | 129.9° | 55.0° |
| C9 | O5 | C8 | H16 | 94.9° | 60.0° |
| C9 | O5 | C8 | H17 | 24.8° | 60.0° |
| O5 | C9 | H19 | H18 | 117.6° | 120.0° |
| C9 | C10 | O6 | H20 | 121.0° | 120.0° |
| C9 | C10 | O6 | H21 | 121.0° | 120.0° |
| C9 | C10 | H20 | H21 | 116.9° | 120.0° |
| C10 | C9 | H19 | H18 | 117.7° | 120.0° |
| O6 | C10 | H20 | H21 | 116.9° | 120.0° |
| C10 | O6 | C11 | H22 | 100.3° | 60.0° |
| C10 | O6 | C11 | H23 | 17.1° | 60.0° |
| O6 | C10 | C9 | H19 | 130.2° | 175.0° |
| O6 | C10 | C9 | H18 | 11.7° | 55.0° |
| C15 | C16 | O9 | H32 | 119.5° | 120.0° |
| C15 | C16 | O9 | H33 | 119.5° | 120.0° |
| C15 | C16 | O9 | C17 | 121.3° | 180.0° |
| C16 | C15 | H31 | H30 | 113.0° | 119.9° |
| C15 | C16 | H32 | H33 | 121.5° | 120.0° |
| C16 | O9 | C17 | C18 | 151.4° | 180.0° |
| O9 | C16 | C15 | H31 | 84.3° | 175.0° |
| O9 | C16 | C15 | H30 | 31.5° | 55.0° |
| O9 | C16 | H32 | H33 | 121.6° | 120.0° |
| C16 | O9 | C17 | H35 | 30.8° | 60.0° |
| C16 | O9 | C17 | H34 | 87.8° | 60.0° |
| O9 | C17 | C18 | H35 | 120.7° | 120.0° |
| O9 | C17 | C18 | H34 | 120.7° | 120.0° |
| O9 | C17 | C18 | O10 | 77.3° | 65.0° |
| C17 | O9 | C16 | H32 | 1.8° | 60.0° |
| C17 | O9 | C16 | H33 | 119.2° | 60.0° |
| O9 | C17 | H35 | H34 | 117.8° | 120.0° |
| O9 | C17 | C18 | H36 | 43.3° | 175.0° |
| O9 | C17 | C18 | H37 | 162.0° | 55.0° |
| C17 | C18 | O10 | H36 | 120.7° | 120.0° |
| C17 | C18 | O10 | H37 | 120.7° | 120.0° |
| C17 | C18 | O10 | C19 | 122.6° | 180.0° |
| C18 | C17 | H35 | H34 | 117.8° | 120.0° |
| C17 | C18 | H36 | H37 | 117.9° | 120.0° |
| C23 | C24 | O13 | H48 | 120.8° | 120.0° |
| C23 | C24 | O13 | H49 | 120.7° | 120.0° |
| C24 | C23 | O12 | H46 | 119.7° | 120.1° |
| C24 | C23 | O12 | H47 | 119.7° | 120.0° |
| C24 | C23 | O12 | C22 | 92.1° | 180.0° |
| C23 | C24 | O13 | C25 | 86.9° | 179.9° |
| C23 | C24 | H48 | H49 | 117.8° | 120.0° |
| C24 | C23 | H46 | H47 | 120.9° | 120.0° |
| O13 | C24 | C23 | O12 | 155.6° | 64.9° |
| C24 | O13 | C25 | C26 | 56.5° | 180.0° |
| O13 | C24 | H48 | H49 | 117.7° | 120.0° |
| O13 | C24 | C23 | H46 | 35.9° | 175.0° |
| O13 | C24 | C23 | H47 | 84.8° | 55.0° |
| C24 | O13 | C25 | H51 | 177.7° | 60.0° |
| C24 | O13 | C25 | H50 | 64.8° | 60.0° |
| C18 | O10 | C19 | C20 | 77.1° | 180.0° |
| C18 | O10 | C19 | H38 | 162.1° | 60.0° |
| C18 | O10 | C19 | H39 | 43.7° | 60.0° |
| O10 | C18 | C17 | H35 | 162.0° | 175.0° |
| O10 | C18 | C17 | H34 | 43.4° | 55.0° |
| O10 | C18 | H36 | H37 | 117.9° | 120.0° |
| C23 | O12 | C22 | C21 | 145.8° | 180.0° |
| O12 | C23 | C24 | H48 | 34.8° | 175.0° |
| O12 | C23 | C24 | H49 | 83.7° | 55.0° |
| O12 | C23 | H46 | H47 | 120.9° | 120.0° |
| C23 | O12 | C22 | H45 | 25.1° | 60.0° |
| C23 | O12 | C22 | H44 | 93.4° | 60.0° |
| O12 | C22 | C21 | H45 | 120.8° | 120.0° |
| O12 | C22 | C21 | H44 | 120.7° | 120.0° |
| O12 | C22 | C21 | O11 | 128.0° | 65.0° |
| C22 | O12 | C23 | H46 | 27.6° | 59.9° |
| C22 | O12 | C23 | H47 | 148.2° | 60.0° |
| O12 | C22 | C21 | H42 | 111.8° | 175.0° |
| O12 | C22 | C21 | H43 | 7.9° | 55.0° |
| O12 | C22 | H45 | H44 | 117.6° | 120.0° |
| O13 | C25 | C26 | H51 | 121.3° | 120.1° |
| O13 | C25 | C26 | H50 | 121.3° | 119.9° |
| O13 | C25 | C26 | O14 | 154.4° | 65.0° |
| C25 | O13 | C24 | H48 | 33.9° | 60.0° |
| C25 | O13 | C24 | H49 | 152.4° | 60.0° |
| O13 | C25 | H51 | H50 | 116.0° | 120.0° |
| O13 | C25 | C26 | H52 | 34.4° | 175.1° |
| O13 | C25 | C26 | H53 | 85.6° | 55.0° |
| C22 | C21 | O11 | H42 | 120.2° | 120.0° |
| C22 | C21 | O11 | H43 | 120.2° | 120.0° |
| C22 | C21 | O11 | C20 | 123.5° | 180.0° |
| C22 | C21 | H42 | H43 | 119.5° | 120.0° |
| C21 | C22 | H45 | H44 | 117.6° | 120.0° |
| C21 | O11 | C20 | C19 | 151.7° | 180.0° |
| C21 | O11 | C20 | H40 | 30.7° | 60.0° |
| C21 | O11 | C20 | H41 | 87.3° | 60.0° |
| O11 | C21 | H42 | H43 | 119.4° | 120.0° |
| O11 | C21 | C22 | H45 | 7.2° | 175.0° |
| O11 | C21 | C22 | H44 | 111.2° | 55.0° |
| C19 | C20 | O11 | H40 | 121.0° | 120.0° |
| C19 | C20 | O11 | H41 | 121.0° | 120.0° |
| C20 | C19 | O10 | H38 | 120.8° | 120.0° |
| C20 | C19 | O10 | H39 | 120.8° | 120.0° |
| C20 | C19 | H38 | H39 | 117.5° | 120.0° |
| C19 | C20 | H40 | H41 | 116.9° | 120.0° |
| O11 | C20 | C19 | O10 | 99.2° | 65.0° |
| O11 | C20 | C19 | H38 | 21.6° | 175.0° |
| O11 | C20 | C19 | H39 | 140.0° | 55.0° |
| O11 | C20 | H40 | H41 | 116.9° | 120.0° |
| C20 | O11 | C21 | H42 | 116.3° | 60.0° |
| C20 | O11 | C21 | H43 | 3.3° | 60.0° |
| O10 | C19 | H38 | H39 | 117.5° | 120.0° |
| C19 | O10 | C18 | H36 | 2.0° | 60.0° |
| C19 | O10 | C18 | H37 | 116.7° | 60.0° |
| O10 | C19 | C20 | H40 | 21.8° | 175.0° |
| O10 | C19 | C20 | H41 | 139.8° | 55.0° |
| C25 | C26 | O14 | H52 | 120.0° | 120.0° |
| C25 | C26 | O14 | H53 | 120.0° | 119.9° |
| C25 | C26 | O14 | C27 | 82.5° | 180.0° |
| C26 | C25 | H51 | H50 | 116.0° | 120.0° |
| C25 | C26 | H52 | H53 | 120.0° | 120.0° |
| C26 | O14 | C27 | C28 | 172.1° | 180.0° |
| C26 | O14 | C27 | H55 | 68.1° | 60.0° |
| C26 | O14 | C27 | H54 | 52.3° | 60.0° |
| O14 | C26 | C25 | H51 | 84.4° | 175.0° |
| O14 | C26 | C25 | H50 | 33.1° | 55.0° |
| O14 | C26 | H52 | H53 | 120.1° | 120.0° |
| O14 | C27 | C28 | H55 | 119.8° | 120.0° |
| O14 | C27 | C28 | H54 | 119.8° | 120.1° |
| O14 | C27 | C28 | O15 | 174.1° | 65.1° |
| O14 | C27 | H55 | H54 | 120.5° | 120.1° |
| C27 | O14 | C26 | H52 | 37.5° | 60.0° |
| C27 | O14 | C26 | H53 | 157.6° | 60.1° |
| O14 | C27 | C28 | H56 | 52.5° | 175.0° |
| O14 | C27 | C28 | H57 | 64.3° | 54.9° |
| C27 | C28 | O15 | H56 | 121.6° | 119.9° |
| C27 | C28 | O15 | H57 | 121.5° | 120.0° |
| C27 | C28 | O15 | C29 | 70.2° | 180.0° |
| C28 | C27 | H55 | H54 | 120.5° | 120.0° |
| C27 | C28 | H56 | H57 | 115.0° | 120.0° |
| C28 | O15 | C29 | C30 | 107.2° | 180.0° |
| O15 | C28 | C27 | H55 | 66.1° | 175.0° |
| O15 | C28 | C27 | H54 | 54.3° | 55.0° |
| O15 | C28 | H56 | H57 | 115.0° | 120.0° |
| C28 | O15 | C29 | H59 | 13.6° | 60.0° |
| C28 | O15 | C29 | H58 | 131.9° | 60.0° |
| O15 | C29 | C30 | H59 | 120.9° | 119.9° |
| O15 | C29 | C30 | H58 | 120.9° | 120.0° |
| O15 | C29 | C30 | O16 | 156.6° | 65.0° |
| C29 | O15 | C28 | H56 | 168.2° | 60.0° |
| C29 | O15 | C28 | H57 | 51.3° | 60.0° |
| O15 | C29 | H59 | H58 | 117.4° | 120.0° |
| O15 | C29 | C30 | H60 | 83.4° | 175.0° |
| O15 | C29 | C30 | H61 | 36.7° | 55.0° |
| C29 | C30 | O16 | H60 | 119.9° | 120.0° |
| C29 | C30 | O16 | H61 | 119.9° | 120.0° |
| C29 | C30 | O16 | C31 | 123.4° | 180.0° |
| C30 | C29 | H59 | H58 | 117.3° | 120.0° |
| C29 | C30 | H60 | H61 | 120.2° | 120.1° |
| C30 | O16 | C31 | C32 | 60.7° | 180.0° |
| O16 | C30 | C29 | H59 | 35.8° | 175.0° |
| O16 | C30 | C29 | H58 | 82.5° | 55.0° |
| O16 | C30 | H60 | H61 | 120.2° | 119.9° |
| C30 | O16 | C31 | H63 | 59.9° | 60.0° |
| C30 | O16 | C31 | H62 | 178.6° | 60.0° |
| O16 | C31 | C32 | H63 | 120.6° | 120.0° |
| O16 | C31 | C32 | H62 | 120.6° | 120.0° |
| O16 | C31 | C32 | O17 | 148.4° | 65.0° |
| O16 | C31 | C32 | H64 | 28.7° | 175.0° |
| O16 | C31 | C32 | H65 | 91.9° | 55.0° |
| C31 | O16 | C30 | H60 | 116.6° | 60.0° |
| C31 | O16 | C30 | H61 | 3.5° | 60.0° |
| O16 | C31 | H63 | H62 | 118.1° | 120.0° |
| O20 | C39 | C38 | H79 | 120.9° | 120.0° |
| O20 | C39 | C38 | H78 | 121.0° | 120.0° |
| O20 | C39 | C38 | C37 | 86.0° | 180.0° |
| O20 | C39 | C38 | H77 | 34.6° | 60.0° |
| O20 | C39 | C38 | H76 | 153.4° | 60.1° |
| O20 | C39 | H79 | H78 | 117.0° | 120.0° |
| C39 | C38 | C37 | H77 | 120.6° | 120.0° |
| C39 | C38 | C37 | H76 | 120.6° | 120.0° |
| C39 | C38 | C37 | O19 | 161.6° | 180.0° |
| C39 | C38 | C37 | H74 | 41.3° | 60.0° |
| C39 | C38 | C37 | H75 | 78.0° | 60.0° |
| C39 | C38 | H77 | H76 | 118.2° | 120.0° |
| C38 | C39 | H79 | H78 | 117.0° | 120.0° |
| C38 | C39 | O20 | H1 | 180.0° | 180.0° |
| C31 | C32 | O17 | H64 | 119.7° | 119.9° |
| C31 | C32 | O17 | H65 | 119.7° | 120.1° |
| C31 | C32 | O17 | C33 | 116.0° | 180.0° |
| C31 | C32 | H64 | H65 | 121.0° | 120.0° |
| C32 | C31 | H63 | H62 | 118.1° | 120.0° |
| C38 | C37 | O19 | H74 | 120.3° | 120.0° |
| C38 | C37 | O19 | H75 | 120.3° | 120.0° |
| C38 | C37 | O19 | C36 | 165.7° | 180.0° |
| C38 | C37 | H74 | H75 | 119.0° | 120.0° |
| C37 | C38 | H77 | H76 | 118.2° | 120.0° |
| C37 | C38 | C39 | H79 | 153.0° | 60.0° |
| C37 | C38 | C39 | H78 | 35.0° | 60.0° |
| C37 | O19 | C36 | C35 | 5.9° | 180.0° |
| C37 | O19 | C36 | H73 | 127.6° | 60.0° |
| C37 | O19 | C36 | H72 | 115.8° | 60.0° |
| O19 | C37 | H74 | H75 | 119.0° | 120.1° |
| O19 | C37 | C38 | H77 | 77.8° | 60.0° |
| O19 | C37 | C38 | H76 | 41.0° | 60.0° |
| C32 | O17 | C33 | C34 | 123.1° | 180.0° |
| O17 | C32 | H64 | H65 | 121.0° | 120.0° |
| O17 | C32 | C31 | H63 | 91.0° | 175.0° |
| O17 | C32 | C31 | H62 | 27.7° | 55.0° |
| C32 | O17 | C33 | H67 | 2.5° | 59.9° |
| C32 | O17 | C33 | H66 | 116.2° | 60.0° |
| O17 | C33 | C34 | O18 | 63.1° | 65.0° |
| O17 | C33 | C34 | H67 | 120.6° | 120.0° |
| O17 | C33 | C34 | H66 | 120.6° | 119.9° |
| C33 | O17 | C32 | H64 | 3.6° | 60.0° |
| C33 | O17 | C32 | H65 | 124.3° | 59.9° |
| O17 | C33 | C34 | H69 | 176.0° | 175.0° |
| O17 | C33 | C34 | H68 | 57.8° | 55.1° |
| O17 | C33 | H67 | H66 | 118.1° | 120.0° |
| O19 | C36 | C35 | H73 | 121.7° | 120.0° |
| O19 | C36 | C35 | H72 | 121.7° | 120.1° |
| O19 | C36 | C35 | O18 | 77.9° | 65.0° |
| O19 | C36 | C35 | H70 | 160.9° | 175.0° |
| O19 | C36 | C35 | H71 | 43.3° | 55.0° |
| O19 | C36 | H73 | H72 | 114.5° | 120.1° |
| C36 | O19 | C37 | H74 | 74.0° | 60.0° |
| C36 | O19 | C37 | H75 | 45.3° | 60.1° |
| C36 | C35 | O18 | H70 | 121.2° | 120.0° |
| C36 | C35 | O18 | H71 | 121.2° | 120.0° |
| C36 | C35 | O18 | C34 | 160.4° | 180.0° |
| C36 | C35 | H70 | H71 | 116.3° | 120.0° |
| C35 | C36 | H73 | H72 | 114.4° | 119.9° |
| C35 | O18 | C34 | C33 | 162.6° | 180.0° |
| C35 | O18 | C34 | H69 | 76.6° | 60.0° |
| C35 | O18 | C34 | H68 | 41.7° | 60.0° |
| O18 | C35 | H70 | H71 | 116.3° | 120.0° |
| O18 | C35 | C36 | H73 | 43.8° | 175.0° |
| O18 | C35 | C36 | H72 | 160.4° | 55.0° |
| O18 | C34 | C33 | H69 | 120.9° | 120.0° |
| O18 | C34 | C33 | H68 | 120.9° | 120.1° |
| O18 | C34 | H69 | H68 | 117.3° | 120.1° |
| O18 | C34 | C33 | H67 | 176.3° | 175.0° |
| O18 | C34 | C33 | H66 | 57.5° | 54.9° |
| C34 | O18 | C35 | H70 | 39.3° | 60.0° |
| C34 | O18 | C35 | H71 | 78.4° | 60.0° |
| C33 | C34 | H69 | H68 | 117.2° | 119.9° |
| C34 | C33 | H67 | H66 | 118.1° | 120.0° |
| H15 | C7 | C8 | H16 | 123.3° | 54.9° |
| H15 | C7 | C8 | H17 | 117.0° | 65.0° |
| H15 | C7 | O4 | H2 | 59.5° | 60.0° |
| H14 | C7 | C8 | H16 | 4.3° | 65.0° |
| H14 | C7 | C8 | H17 | 123.9° | 175.0° |
| H14 | C7 | O4 | H2 | 59.5° | 60.0° |
| H25 | C12 | C11 | H22 | 105.6° | 55.0° |
| H25 | C12 | C11 | H23 | 137.0° | 64.9° |
| H24 | C12 | C11 | H22 | 12.7° | 65.0° |
| H24 | C12 | C11 | H23 | 104.7° | 175.1° |
| H26 | C13 | C14 | H28 | 179.9° | 55.0° |
| H26 | C13 | C14 | H29 | 60.4° | 65.0° |
| H27 | C13 | C14 | H28 | 60.0° | 65.0° |
| H27 | C13 | C14 | H29 | 59.5° | 175.0° |
| H31 | C15 | C16 | H32 | 156.2° | 54.9° |
| H31 | C15 | C16 | H33 | 35.2° | 65.0° |
| H30 | C15 | C16 | H32 | 88.0° | 65.0° |
| H30 | C15 | C16 | H33 | 151.0° | 175.0° |
| H38 | C19 | C20 | H40 | 142.6° | 54.9° |
| H38 | C19 | C20 | H41 | 99.4° | 65.0° |
| H39 | C19 | C20 | H40 | 99.0° | 65.0° |
| H39 | C19 | C20 | H41 | 19.0° | 175.0° |
| H48 | C24 | C23 | H46 | 84.8° | 55.0° |
| H48 | C24 | C23 | H47 | 154.5° | 65.0° |
| H49 | C24 | C23 | H46 | 156.6° | 65.0° |
| H49 | C24 | C23 | H47 | 36.0° | 175.0° |
| H55 | C27 | C28 | H56 | 172.4° | 55.0° |
| H55 | C27 | C28 | H57 | 55.5° | 65.0° |
| H54 | C27 | C28 | H56 | 67.3° | 65.0° |
| H54 | C27 | C28 | H57 | 175.8° | 175.0° |
| H64 | C32 | C31 | H63 | 149.3° | 55.0° |
| H64 | C32 | C31 | H62 | 91.9° | 65.0° |
| H65 | C32 | C31 | H63 | 28.7° | 64.9° |
| H65 | C32 | C31 | H62 | 147.4° | 175.0° |
| H69 | C34 | C33 | H67 | 55.4° | 55.0° |
| H69 | C34 | C33 | H66 | 63.4° | 65.1° |
| H68 | C34 | C33 | H67 | 62.9° | 65.0° |
| H68 | C34 | C33 | H66 | 178.4° | 175.0° |
| H35 | C17 | C18 | H36 | 77.4° | 55.0° |
| H35 | C17 | C18 | H37 | 41.3° | 65.0° |
| H34 | C17 | C18 | H36 | 164.0° | 65.1° |
| H34 | C17 | C18 | H37 | 77.3° | 175.0° |
| H51 | C25 | C26 | H52 | 155.7° | 55.0° |
| H51 | C25 | C26 | H53 | 35.7° | 65.1° |
| H50 | C25 | C26 | H52 | 86.9° | 65.0° |
| H50 | C25 | C26 | H53 | 153.1° | 174.9° |
| H59 | C29 | C30 | H60 | 155.7° | 55.1° |
| H59 | C29 | C30 | H61 | 84.1° | 65.0° |
| H58 | C29 | C30 | H60 | 37.5° | 65.0° |
| H58 | C29 | C30 | H61 | 157.6° | 174.9° |
| H20 | C10 | C9 | H19 | 108.8° | 55.0° |
| H20 | C10 | C9 | H18 | 132.7° | 65.0° |
| H21 | C10 | C9 | H19 | 9.2° | 65.0° |
| H21 | C10 | C9 | H18 | 109.3° | 175.0° |
| H42 | C21 | C22 | H45 | 127.4° | 55.0° |
| H42 | C21 | C22 | H44 | 8.9° | 65.0° |
| H43 | C21 | C22 | H45 | 112.9° | 65.0° |
| H43 | C21 | C22 | H44 | 128.6° | 175.0° |
| H70 | C35 | C36 | H73 | 77.3° | 55.0° |
| H70 | C35 | C36 | H72 | 39.2° | 64.9° |
| H71 | C35 | C36 | H73 | 165.0° | 65.0° |
| H71 | C35 | C36 | H72 | 78.4° | 175.0° |
| H74 | C37 | C38 | H77 | 161.9° | 60.0° |
| H74 | C37 | C38 | H76 | 79.3° | 180.0° |
| H75 | C37 | C38 | H77 | 42.6° | 180.0° |
| H75 | C37 | C38 | H76 | 161.4° | 59.9° |
| H77 | C38 | C39 | H79 | 86.3° | 180.0° |
| H77 | C38 | C39 | H78 | 155.6° | 60.0° |
| H76 | C38 | C39 | H79 | 32.5° | 60.0° |
| H76 | C38 | C39 | H78 | 85.6° | 179.9° |
| H79 | C39 | O20 | H1 | 59.1° | 60.0° |
| H78 | C39 | O20 | H1 | 59.0° | 60.0° |
