0K3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.51Å | 1.50Å | |
| C36 | C38 | sing | 1.51Å | 1.50Å | |
| C36 | C35 | doub | 1.31Å | 1.34Å | |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C33 | C31 | sing | 1.51Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.31Å | 1.34Å | |
| C31 | C30 | doub | 1.31Å | 1.34Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | doub | 1.31Å | 1.33Å | |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C39 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | doub | 1.31Å | 1.33Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.31Å | 1.34Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.31Å | 1.34Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | doub | 1.31Å | 1.34Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C | O3 | sing | 1.43Å | 1.42Å | |
| O3 | P | sing | 1.61Å | 1.61Å | |
| P | O2 | doub | 1.48Å | 1.61Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| P | O | sing | 1.61Å | 1.48Å | |
| O | H1 | sing | 0.97Å | 0.95Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.08Å | 1.08Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.08Å | 1.08Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.08Å | 1.08Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.08Å | 1.08Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C38 | 119.5° | 120.0° |
| C37 | C36 | C35 | 120.0° | 120.0° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| C36 | C37 | H67 | 109.5° | 109.5° |
| C38 | C36 | C35 | 120.5° | 120.0° |
| C36 | C38 | H62 | 109.5° | 109.4° |
| C36 | C38 | H63 | 109.5° | 109.4° |
| C36 | C38 | H64 | 109.5° | 109.4° |
| C36 | C35 | C34 | 119.3° | 120.0° |
| C36 | C35 | H61 | 120.3° | 120.0° |
| C35 | C34 | C33 | 111.7° | 109.5° |
| C35 | C34 | H59 | 108.9° | 109.5° |
| C35 | C34 | H60 | 108.9° | 109.5° |
| C34 | C35 | H61 | 120.3° | 120.0° |
| C34 | C33 | C31 | 110.7° | 109.5° |
| C34 | C33 | H57 | 109.2° | 109.4° |
| C34 | C33 | H58 | 109.1° | 109.5° |
| C33 | C34 | H59 | 108.9° | 109.5° |
| C33 | C34 | H60 | 108.9° | 109.5° |
| C27 | C26 | C28 | 120.7° | 120.0° |
| C27 | C26 | C25 | 119.5° | 120.0° |
| C26 | C27 | H46 | 109.5° | 109.5° |
| C26 | C27 | H47 | 109.4° | 109.5° |
| C26 | C27 | H48 | 109.5° | 109.5° |
| C33 | C31 | C30 | 121.3° | 120.0° |
| C33 | C31 | C32 | 119.8° | 120.0° |
| C31 | C33 | H57 | 109.1° | 109.5° |
| C31 | C33 | H58 | 109.2° | 109.4° |
| C28 | C29 | C30 | 108.6° | 109.5° |
| C29 | C28 | C26 | 110.0° | 109.5° |
| C29 | C28 | H49 | 109.4° | 109.5° |
| C29 | C28 | H50 | 109.3° | 109.4° |
| C28 | C29 | H51 | 109.7° | 109.5° |
| C28 | C29 | H52 | 109.7° | 109.5° |
| C29 | C30 | C31 | 121.8° | 120.0° |
| C30 | C29 | H51 | 109.7° | 109.5° |
| C30 | C29 | H52 | 109.7° | 109.5° |
| C29 | C30 | H53 | 119.1° | 120.0° |
| C28 | C26 | C25 | 119.8° | 120.0° |
| C26 | C28 | H49 | 109.3° | 109.5° |
| C26 | C28 | H50 | 109.3° | 109.5° |
| C26 | C25 | C24 | 119.5° | 120.0° |
| C26 | C25 | H45 | 120.3° | 120.0° |
| C30 | C31 | C32 | 118.8° | 120.0° |
| C31 | C30 | H53 | 119.1° | 120.0° |
| C31 | C32 | H54 | 109.5° | 109.5° |
| C31 | C32 | H55 | 109.5° | 109.5° |
| C31 | C32 | H56 | 109.5° | 109.5° |
| C25 | C24 | C23 | 109.9° | 109.4° |
| C25 | C24 | H43 | 109.4° | 109.4° |
| C25 | C24 | H44 | 109.4° | 109.5° |
| C24 | C25 | H45 | 120.2° | 120.0° |
| C24 | C23 | C21 | 107.9° | 109.5° |
| C24 | C23 | H41 | 109.8° | 109.5° |
| C24 | C23 | H42 | 109.9° | 109.5° |
| C23 | C24 | H43 | 109.4° | 109.4° |
| C23 | C24 | H44 | 109.4° | 109.5° |
| C23 | C21 | C22 | 119.9° | 120.0° |
| C23 | C21 | C20 | 120.2° | 120.0° |
| C21 | C23 | H41 | 109.9° | 109.4° |
| C21 | C23 | H42 | 109.9° | 109.5° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C21 | C22 | H38 | 109.5° | 109.4° |
| C21 | C22 | H39 | 109.5° | 109.5° |
| C21 | C22 | H40 | 109.5° | 109.5° |
| C21 | C20 | C19 | 118.9° | 120.1° |
| C21 | C20 | H37 | 120.5° | 120.0° |
| C20 | C19 | C18 | 108.8° | 109.5° |
| C20 | C19 | H35 | 109.6° | 109.4° |
| C20 | C19 | H36 | 109.6° | 109.5° |
| C19 | C20 | H37 | 120.5° | 120.0° |
| C19 | C18 | C17 | 106.5° | 109.5° |
| C19 | C18 | H33 | 110.2° | 109.4° |
| C19 | C18 | H34 | 110.2° | 109.5° |
| C18 | C19 | H35 | 109.6° | 109.5° |
| C18 | C19 | H36 | 109.6° | 109.5° |
| C39 | C17 | C18 | 119.5° | 120.0° |
| C39 | C17 | C16 | 120.4° | 120.0° |
| C17 | C39 | H30 | 109.5° | 109.5° |
| C17 | C39 | H31 | 109.5° | 109.5° |
| C17 | C39 | H32 | 109.5° | 109.5° |
| C18 | C17 | C16 | 120.1° | 120.0° |
| C17 | C18 | H33 | 110.2° | 109.5° |
| C17 | C18 | H34 | 110.2° | 109.5° |
| C17 | C16 | C15 | 121.6° | 120.0° |
| C17 | C16 | H29 | 119.2° | 120.0° |
| C16 | C15 | C14 | 105.2° | 109.5° |
| C16 | C15 | H27 | 110.5° | 109.4° |
| C16 | C15 | H28 | 110.5° | 109.5° |
| C15 | C16 | H29 | 119.2° | 120.0° |
| C15 | C14 | C12 | 110.9° | 109.5° |
| C15 | C14 | H25 | 109.1° | 109.5° |
| C15 | C14 | H26 | 109.1° | 109.5° |
| C14 | C15 | H27 | 110.5° | 109.5° |
| C14 | C15 | H28 | 110.5° | 109.5° |
| C14 | C12 | C11 | 119.4° | 120.0° |
| C14 | C12 | C13 | 120.2° | 120.0° |
| C12 | C14 | H25 | 109.1° | 109.4° |
| C12 | C14 | H26 | 109.1° | 109.5° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C12 | C11 | C10 | 121.9° | 120.0° |
| C12 | C11 | H21 | 119.0° | 120.0° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C13 | H23 | 109.5° | 109.5° |
| C12 | C13 | H24 | 109.5° | 109.5° |
| C8 | C7 | C9 | 121.3° | 120.0° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C7 | C8 | H16 | 109.4° | 109.5° |
| C11 | C10 | C9 | 105.5° | 109.5° |
| C11 | C10 | H19 | 110.5° | 109.5° |
| C11 | C10 | H20 | 110.5° | 109.5° |
| C10 | C11 | H21 | 119.1° | 120.0° |
| C10 | C9 | C7 | 113.7° | 109.5° |
| C10 | C9 | H17 | 108.4° | 109.5° |
| C10 | C9 | H18 | 108.4° | 109.5° |
| C9 | C10 | H19 | 110.5° | 109.5° |
| C9 | C10 | H20 | 110.5° | 109.5° |
| C9 | C7 | C6 | 117.9° | 120.0° |
| C7 | C9 | H17 | 108.4° | 109.5° |
| C7 | C9 | H18 | 108.4° | 109.5° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | H13 | 120.2° | 119.9° |
| C6 | C5 | C4 | 110.2° | 109.4° |
| C6 | C5 | H11 | 109.3° | 109.4° |
| C6 | C5 | H12 | 109.3° | 109.5° |
| C5 | C6 | H13 | 120.2° | 120.0° |
| C5 | C4 | C2 | 110.4° | 109.4° |
| C5 | C4 | H9 | 109.2° | 109.5° |
| C5 | C4 | H10 | 109.2° | 109.5° |
| C4 | C5 | H11 | 109.3° | 109.5° |
| C4 | C5 | H12 | 109.3° | 109.5° |
| C4 | C2 | C3 | 121.3° | 120.0° |
| C4 | C2 | C1 | 119.8° | 120.0° |
| C2 | C4 | H9 | 109.2° | 109.4° |
| C2 | C4 | H10 | 109.2° | 109.5° |
| C3 | C2 | C1 | 118.9° | 120.0° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.4° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C1 | C | 120.7° | 120.0° |
| C2 | C1 | H5 | 119.6° | 120.0° |
| C1 | C | O3 | 108.3° | 109.5° |
| C1 | C | H3 | 109.8° | 109.5° |
| C1 | C | H4 | 109.7° | 109.5° |
| C | C1 | H5 | 119.6° | 120.0° |
| C | O3 | P | 120.8° | 123.0° |
| O3 | C | H3 | 109.8° | 109.5° |
| O3 | C | H4 | 109.7° | 109.4° |
| O3 | P | O2 | 108.2° | 109.4° |
| O3 | P | O1 | 110.1° | 109.5° |
| O3 | P | O | 108.8° | 109.5° |
| O2 | P | O1 | 110.8° | 109.5° |
| O2 | P | O | 110.0° | 109.5° |
| O1 | P | O | 108.8° | 109.5° |
| P | O1 | H2 | 109.5° | 114.0° |
| P | O | H1 | 109.5° | 114.0° |
| H3 | C | H4 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H16 | 109.5° | 109.4° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.4° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H22 | C13 | H24 | 109.4° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.4° |
| H25 | C14 | H26 | 109.5° | 109.4° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.5° | 109.5° |
| H31 | C39 | H32 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H38 | C22 | H39 | 109.4° | 109.4° |
| H38 | C22 | H40 | 109.5° | 109.5° |
| H39 | C22 | H40 | 109.5° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| H43 | C24 | H44 | 109.4° | 109.5° |
| H46 | C27 | H47 | 109.5° | 109.4° |
| H46 | C27 | H48 | 109.4° | 109.4° |
| H47 | C27 | H48 | 109.5° | 109.5° |
| H49 | C28 | H50 | 109.5° | 109.4° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.4° | 109.5° |
| H54 | C32 | H56 | 109.4° | 109.5° |
| H55 | C32 | H56 | 109.5° | 109.4° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.4° |
| H62 | C38 | H63 | 109.5° | 109.5° |
| H62 | C38 | H64 | 109.4° | 109.5° |
| H63 | C38 | H64 | 109.4° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.4° |
| H65 | C37 | H67 | 109.5° | 109.5° |
| H66 | C37 | H67 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C38 | C35 | 179.7° | 180.0° |
| C37 | C36 | C35 | C34 | 0.2° | 176.7° |
| C37 | C36 | C35 | H61 | 179.8° | 3.3° |
| C37 | C36 | C38 | H62 | 180.0° | 89.9° |
| C37 | C36 | C38 | H63 | 60.0° | 30.1° |
| C37 | C36 | C38 | H64 | 60.0° | 150.1° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H67 | 120.0° | 120.1° |
| C36 | C37 | H66 | H67 | 120.0° | 120.1° |
| C38 | C36 | C35 | C34 | 179.9° | 3.3° |
| C38 | C36 | C35 | H61 | 0.1° | 176.7° |
| C36 | C38 | H62 | H63 | 120.0° | 120.0° |
| C36 | C38 | H62 | H64 | 120.0° | 120.0° |
| C36 | C38 | H63 | H64 | 120.0° | 119.9° |
| C38 | C36 | C37 | H65 | 180.0° | 90.0° |
| C38 | C36 | C37 | H66 | 60.0° | 150.0° |
| C38 | C36 | C37 | H67 | 60.0° | 30.0° |
| C36 | C35 | C34 | H61 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 174.6° | 126.6° |
| C36 | C35 | C34 | H59 | 65.1° | 113.3° |
| C36 | C35 | C34 | H60 | 54.3° | 6.6° |
| C35 | C36 | C38 | H62 | 0.3° | 90.1° |
| C35 | C36 | C38 | H63 | 119.8° | 149.9° |
| C35 | C36 | C38 | H64 | 120.3° | 29.9° |
| C35 | C36 | C37 | H65 | 0.3° | 90.0° |
| C35 | C36 | C37 | H66 | 120.3° | 30.0° |
| C35 | C36 | C37 | H67 | 119.7° | 150.0° |
| C35 | C34 | C33 | H59 | 120.3° | 120.1° |
| C35 | C34 | C33 | H60 | 120.3° | 120.0° |
| C35 | C34 | C33 | C31 | 94.6° | 180.0° |
| C35 | C34 | C33 | H57 | 25.6° | 60.0° |
| C35 | C34 | C33 | H58 | 145.2° | 60.0° |
| C35 | C34 | H59 | H60 | 119.1° | 120.0° |
| C34 | C33 | C31 | H57 | 120.2° | 120.0° |
| C34 | C33 | C31 | H58 | 120.2° | 120.0° |
| C34 | C33 | C31 | C30 | 51.8° | 94.6° |
| C34 | C33 | C31 | C32 | 128.4° | 85.4° |
| C34 | C33 | H57 | H58 | 119.4° | 120.0° |
| C33 | C34 | H59 | H60 | 119.0° | 119.9° |
| C33 | C34 | C35 | H61 | 5.4° | 53.4° |
| C27 | C26 | C28 | C29 | 40.4° | 87.5° |
| C27 | C26 | C28 | C25 | 179.6° | 179.9° |
| C27 | C26 | C25 | C24 | 179.8° | 172.9° |
| C27 | C26 | C25 | H45 | 0.2° | 7.0° |
| C26 | C27 | H46 | H47 | 120.0° | 120.0° |
| C26 | C27 | H46 | H48 | 120.0° | 120.0° |
| C26 | C27 | H47 | H48 | 120.0° | 120.1° |
| C27 | C26 | C28 | H49 | 160.5° | 32.6° |
| C27 | C26 | C28 | H50 | 79.6° | 152.5° |
| C33 | C31 | C30 | C29 | 0.2° | 7.1° |
| C33 | C31 | C30 | C32 | 179.9° | 180.0° |
| C33 | C31 | C30 | H53 | 179.8° | 172.8° |
| C33 | C31 | C32 | H54 | 180.0° | 90.0° |
| C33 | C31 | C32 | H55 | 60.0° | 30.0° |
| C33 | C31 | C32 | H56 | 60.0° | 150.0° |
| C31 | C33 | H57 | H58 | 119.4° | 120.0° |
| C31 | C33 | C34 | H59 | 145.1° | 59.9° |
| C31 | C33 | C34 | H60 | 25.7° | 60.0° |
| C28 | C29 | C30 | H51 | 119.9° | 120.0° |
| C28 | C29 | C30 | H52 | 119.9° | 120.0° |
| C29 | C28 | C26 | H49 | 120.1° | 120.0° |
| C29 | C28 | C26 | H50 | 120.1° | 120.0° |
| C29 | C28 | C26 | C25 | 140.0° | 92.6° |
| C28 | C29 | C30 | C31 | 150.2° | 118.7° |
| C29 | C28 | H49 | H50 | 119.8° | 120.0° |
| C28 | C29 | H51 | H52 | 120.4° | 120.0° |
| C28 | C29 | C30 | H53 | 29.8° | 61.3° |
| C30 | C29 | C28 | C26 | 117.4° | 180.0° |
| C29 | C30 | C31 | H53 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 179.9° | 172.9° |
| C30 | C29 | C28 | H49 | 2.7° | 59.9° |
| C30 | C29 | C28 | H50 | 122.6° | 60.0° |
| C30 | C29 | H51 | H52 | 120.4° | 120.0° |
| C28 | C26 | C25 | C24 | 0.2° | 7.1° |
| C28 | C26 | C25 | H45 | 179.8° | 172.9° |
| C28 | C26 | C27 | H46 | 180.0° | 90.0° |
| C28 | C26 | C27 | H47 | 60.0° | 150.0° |
| C28 | C26 | C27 | H48 | 60.0° | 29.9° |
| C26 | C28 | H49 | H50 | 119.7° | 120.0° |
| C26 | C28 | C29 | H51 | 2.5° | 60.0° |
| C26 | C28 | C29 | H52 | 122.7° | 60.0° |
| C26 | C25 | C24 | H45 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 171.1° | 118.9° |
| C26 | C25 | C24 | H43 | 68.8° | 1.0° |
| C26 | C25 | C24 | H44 | 51.0° | 121.0° |
| C25 | C26 | C27 | H46 | 0.4° | 90.0° |
| C25 | C26 | C27 | H47 | 119.6° | 29.9° |
| C25 | C26 | C27 | H48 | 120.4° | 150.0° |
| C25 | C26 | C28 | H49 | 19.9° | 147.4° |
| C25 | C26 | C28 | H50 | 100.0° | 27.4° |
| C31 | C30 | C29 | H51 | 30.4° | 1.3° |
| C31 | C30 | C29 | H52 | 89.9° | 121.3° |
| C30 | C31 | C32 | H54 | 0.1° | 90.0° |
| C30 | C31 | C32 | H55 | 120.1° | 150.0° |
| C30 | C31 | C32 | H56 | 119.9° | 30.0° |
| C30 | C31 | C33 | H57 | 172.0° | 145.4° |
| C30 | C31 | C33 | H58 | 68.4° | 25.4° |
| C32 | C31 | C30 | H53 | 0.1° | 7.1° |
| C31 | C32 | H54 | H55 | 120.0° | 120.0° |
| C31 | C32 | H54 | H56 | 120.0° | 120.0° |
| C31 | C32 | H55 | H56 | 120.0° | 120.0° |
| C32 | C31 | C33 | H57 | 8.2° | 34.6° |
| C32 | C31 | C33 | H58 | 111.5° | 154.6° |
| C25 | C24 | C23 | H43 | 120.1° | 119.9° |
| C25 | C24 | C23 | H44 | 120.1° | 120.0° |
| C25 | C24 | C23 | C21 | 125.1° | 180.0° |
| C25 | C24 | C23 | H41 | 115.2° | 60.1° |
| C25 | C24 | C23 | H42 | 5.3° | 59.9° |
| C25 | C24 | H43 | H44 | 119.8° | 120.0° |
| C24 | C23 | C21 | H41 | 119.7° | 120.0° |
| C24 | C23 | C21 | H42 | 119.8° | 120.1° |
| C24 | C23 | C21 | C22 | 21.4° | 84.0° |
| C24 | C23 | C21 | C20 | 158.7° | 96.0° |
| C24 | C23 | H41 | H42 | 120.8° | 120.0° |
| C23 | C24 | H43 | H44 | 119.8° | 120.1° |
| C23 | C24 | C25 | H45 | 8.9° | 61.1° |
| C23 | C21 | C22 | C20 | 179.9° | 179.9° |
| C23 | C21 | C20 | C19 | 0.1° | 6.3° |
| C23 | C21 | C20 | H37 | 179.9° | 173.8° |
| C23 | C21 | C22 | H38 | 180.0° | 90.0° |
| C23 | C21 | C22 | H39 | 60.0° | 29.9° |
| C23 | C21 | C22 | H40 | 60.0° | 150.0° |
| C21 | C23 | H41 | H42 | 120.7° | 120.0° |
| C21 | C23 | C24 | H43 | 5.0° | 60.1° |
| C21 | C23 | C24 | H44 | 114.9° | 60.0° |
| C22 | C21 | C20 | C19 | 179.8° | 173.7° |
| C22 | C21 | C20 | H37 | 0.2° | 6.3° |
| C21 | C22 | H38 | H39 | 120.0° | 120.0° |
| C21 | C22 | H38 | H40 | 120.0° | 120.0° |
| C21 | C22 | H39 | H40 | 120.0° | 120.1° |
| C22 | C21 | C23 | H41 | 141.1° | 36.0° |
| C22 | C21 | C23 | H42 | 98.4° | 156.0° |
| C21 | C20 | C19 | H37 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 162.9° | 116.3° |
| C21 | C20 | C19 | H35 | 43.0° | 3.7° |
| C21 | C20 | C19 | H36 | 77.2° | 123.7° |
| C20 | C21 | C22 | H38 | 0.1° | 90.0° |
| C20 | C21 | C22 | H39 | 119.9° | 150.0° |
| C20 | C21 | C22 | H40 | 120.1° | 30.0° |
| C20 | C21 | C23 | H41 | 39.0° | 144.0° |
| C20 | C21 | C23 | H42 | 81.5° | 24.1° |
| C20 | C19 | C18 | H35 | 119.9° | 119.9° |
| C20 | C19 | C18 | H36 | 119.9° | 120.1° |
| C20 | C19 | C18 | C17 | 160.3° | 179.9° |
| C20 | C19 | C18 | H33 | 40.8° | 60.0° |
| C20 | C19 | C18 | H34 | 80.1° | 59.9° |
| C20 | C19 | H35 | H36 | 120.3° | 120.0° |
| C19 | C18 | C17 | C39 | 15.7° | 85.9° |
| C19 | C18 | C17 | H33 | 119.5° | 119.9° |
| C19 | C18 | C17 | H34 | 119.5° | 120.0° |
| C19 | C18 | C17 | C16 | 164.5° | 94.1° |
| C19 | C18 | H33 | H34 | 121.4° | 119.9° |
| C18 | C19 | H35 | H36 | 120.3° | 120.1° |
| C18 | C19 | C20 | H37 | 17.1° | 63.8° |
| C39 | C17 | C18 | C16 | 179.8° | 180.0° |
| C39 | C17 | C16 | C15 | 179.8° | 175.8° |
| C39 | C17 | C16 | H29 | 0.2° | 4.2° |
| C17 | C39 | H30 | H31 | 120.0° | 120.0° |
| C17 | C39 | H30 | H32 | 120.0° | 120.0° |
| C17 | C39 | H31 | H32 | 120.0° | 120.0° |
| C39 | C17 | C18 | H33 | 103.8° | 34.0° |
| C39 | C17 | C18 | H34 | 135.2° | 154.1° |
| C18 | C17 | C16 | C15 | 0.4° | 4.2° |
| C18 | C17 | C16 | H29 | 179.6° | 175.8° |
| C18 | C17 | C39 | H30 | 180.0° | 90.0° |
| C18 | C17 | C39 | H31 | 60.0° | 150.0° |
| C18 | C17 | C39 | H32 | 60.0° | 30.0° |
| C17 | C18 | H33 | H34 | 121.4° | 120.1° |
| C17 | C18 | C19 | H35 | 79.8° | 60.0° |
| C17 | C18 | C19 | H36 | 40.4° | 60.0° |
| C17 | C16 | C15 | H29 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 156.8° | 116.4° |
| C17 | C16 | C15 | H27 | 83.9° | 3.6° |
| C17 | C16 | C15 | H28 | 37.4° | 123.6° |
| C16 | C17 | C39 | H30 | 0.2° | 90.0° |
| C16 | C17 | C39 | H31 | 120.2° | 30.0° |
| C16 | C17 | C39 | H32 | 119.8° | 150.0° |
| C16 | C17 | C18 | H33 | 76.0° | 146.0° |
| C16 | C17 | C18 | H34 | 45.0° | 25.9° |
| C16 | C15 | C14 | H27 | 119.3° | 119.9° |
| C16 | C15 | C14 | H28 | 119.3° | 120.0° |
| C16 | C15 | C14 | C12 | 146.0° | 180.0° |
| C16 | C15 | C14 | H25 | 93.8° | 60.0° |
| C16 | C15 | C14 | H26 | 25.8° | 60.0° |
| C16 | C15 | H27 | H28 | 122.0° | 120.0° |
| C15 | C14 | C12 | H25 | 120.2° | 120.0° |
| C15 | C14 | C12 | H26 | 120.2° | 120.0° |
| C15 | C14 | C12 | C11 | 134.1° | 91.8° |
| C15 | C14 | C12 | C13 | 46.8° | 88.2° |
| C15 | C14 | H25 | H26 | 119.4° | 120.0° |
| C14 | C15 | H27 | H28 | 122.0° | 120.1° |
| C14 | C15 | C16 | H29 | 23.2° | 63.6° |
| C14 | C12 | C11 | C13 | 179.2° | 179.9° |
| C14 | C12 | C11 | C10 | 0.6° | 2.2° |
| C14 | C12 | C11 | H21 | 179.4° | 177.8° |
| C14 | C12 | C13 | H22 | 180.0° | 90.0° |
| C14 | C12 | C13 | H23 | 60.0° | 30.0° |
| C14 | C12 | C13 | H24 | 60.0° | 149.9° |
| C12 | C14 | H25 | H26 | 119.4° | 120.0° |
| C12 | C14 | C15 | H27 | 26.7° | 60.1° |
| C12 | C14 | C15 | H28 | 94.7° | 60.0° |
| C12 | C11 | C10 | H21 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 137.4° | 115.6° |
| C12 | C11 | C10 | H19 | 18.0° | 4.4° |
| C12 | C11 | C10 | H20 | 103.2° | 124.4° |
| C11 | C12 | C13 | H22 | 0.9° | 90.0° |
| C11 | C12 | C13 | H23 | 120.9° | 150.0° |
| C11 | C12 | C13 | H24 | 119.1° | 30.0° |
| C11 | C12 | C14 | H25 | 105.7° | 148.2° |
| C11 | C12 | C14 | H26 | 13.8° | 28.3° |
| C13 | C12 | C11 | C10 | 179.8° | 177.8° |
| C13 | C12 | C11 | H21 | 0.2° | 2.3° |
| C12 | C13 | H22 | H23 | 120.0° | 120.0° |
| C12 | C13 | H22 | H24 | 120.0° | 120.0° |
| C12 | C13 | H23 | H24 | 120.0° | 120.0° |
| C13 | C12 | C14 | H25 | 73.4° | 31.9° |
| C13 | C12 | C14 | H26 | 167.0° | 151.8° |
| C8 | C7 | C9 | C10 | 15.9° | 87.4° |
| C8 | C7 | C9 | C6 | 179.1° | 180.0° |
| C8 | C7 | C6 | C5 | 179.9° | 173.2° |
| C8 | C7 | C6 | H13 | 0.1° | 6.9° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H16 | 120.0° | 120.0° |
| C7 | C8 | H15 | H16 | 120.0° | 120.0° |
| C8 | C7 | C9 | H17 | 136.6° | 32.6° |
| C8 | C7 | C9 | H18 | 104.7° | 152.6° |
| C11 | C10 | C9 | H19 | 119.4° | 120.0° |
| C11 | C10 | C9 | H20 | 119.4° | 120.0° |
| C11 | C10 | C9 | C7 | 141.2° | 180.0° |
| C11 | C10 | C9 | H17 | 20.6° | 60.0° |
| C11 | C10 | C9 | H18 | 98.2° | 60.0° |
| C11 | C10 | H19 | H20 | 121.8° | 120.0° |
| C10 | C9 | C7 | H17 | 120.6° | 120.0° |
| C10 | C9 | C7 | H18 | 120.6° | 120.0° |
| C10 | C9 | C7 | C6 | 165.0° | 92.6° |
| C10 | C9 | H17 | H18 | 118.1° | 120.0° |
| C9 | C10 | H19 | H20 | 121.8° | 120.0° |
| C9 | C10 | C11 | H21 | 42.6° | 64.3° |
| C9 | C7 | C6 | C5 | 0.8° | 6.8° |
| C9 | C7 | C6 | H13 | 179.2° | 173.2° |
| C9 | C7 | C8 | H14 | 180.0° | 90.0° |
| C9 | C7 | C8 | H15 | 60.0° | 30.0° |
| C9 | C7 | C8 | H16 | 60.0° | 150.0° |
| C7 | C9 | H17 | H18 | 118.1° | 120.0° |
| C7 | C9 | C10 | H19 | 99.4° | 60.0° |
| C7 | C9 | C10 | H20 | 21.8° | 60.0° |
| C7 | C6 | C5 | H13 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 160.4° | 119.4° |
| C7 | C6 | C5 | H11 | 79.5° | 0.5° |
| C7 | C6 | C5 | H12 | 40.3° | 120.6° |
| C6 | C7 | C8 | H14 | 0.9° | 90.0° |
| C6 | C7 | C8 | H15 | 119.1° | 149.9° |
| C6 | C7 | C8 | H16 | 120.9° | 29.9° |
| C6 | C7 | C9 | H17 | 44.3° | 147.4° |
| C6 | C7 | C9 | H18 | 74.4° | 27.4° |
| C6 | C5 | C4 | H11 | 120.1° | 119.9° |
| C6 | C5 | C4 | H12 | 120.1° | 120.0° |
| C6 | C5 | C4 | C2 | 166.1° | 180.0° |
| C6 | C5 | C4 | H9 | 73.7° | 60.1° |
| C6 | C5 | C4 | H10 | 46.0° | 60.0° |
| C6 | C5 | H11 | H12 | 119.7° | 120.0° |
| C5 | C4 | C2 | H9 | 120.1° | 119.9° |
| C5 | C4 | C2 | H10 | 120.1° | 120.0° |
| C5 | C4 | C2 | C3 | 49.9° | 86.3° |
| C5 | C4 | C2 | C1 | 131.4° | 93.6° |
| C5 | C4 | H9 | H10 | 119.5° | 120.0° |
| C4 | C5 | H11 | H12 | 119.7° | 120.0° |
| C4 | C5 | C6 | H13 | 19.6° | 60.5° |
| C4 | C2 | C3 | C1 | 178.7° | 179.9° |
| C4 | C2 | C1 | C | 1.3° | 5.3° |
| C4 | C2 | C1 | H5 | 178.7° | 174.7° |
| C4 | C2 | C3 | H6 | 180.0° | 90.0° |
| C4 | C2 | C3 | H7 | 60.0° | 30.0° |
| C4 | C2 | C3 | H8 | 60.0° | 150.0° |
| C2 | C4 | H9 | H10 | 119.6° | 120.0° |
| C2 | C4 | C5 | H11 | 46.0° | 60.1° |
| C2 | C4 | C5 | H12 | 73.7° | 60.0° |
| C3 | C2 | C1 | C | 180.0° | 174.7° |
| C3 | C2 | C1 | H5 | 0.0° | 5.4° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | C2 | C4 | H9 | 70.2° | 33.6° |
| C3 | C2 | C4 | H10 | 170.0° | 153.6° |
| C2 | C1 | C | H5 | 180.0° | 179.9° |
| C2 | C1 | C | O3 | 114.4° | 136.7° |
| C2 | C1 | C | H3 | 5.4° | 103.3° |
| C2 | C1 | C | H4 | 125.8° | 16.8° |
| C1 | C2 | C3 | H6 | 1.3° | 90.0° |
| C1 | C2 | C3 | H7 | 121.3° | 150.0° |
| C1 | C2 | C3 | H8 | 118.7° | 30.0° |
| C1 | C2 | C4 | H9 | 108.5° | 146.4° |
| C1 | C2 | C4 | H10 | 11.2° | 26.4° |
| C1 | C | O3 | H3 | 119.8° | 120.0° |
| C1 | C | O3 | H4 | 119.8° | 120.0° |
| C1 | C | O3 | P | 99.2° | 180.0° |
| C1 | C | H3 | H4 | 120.5° | 120.0° |
| C | O3 | P | O2 | 160.3° | 55.1° |
| C | O3 | P | O1 | 39.1° | 64.9° |
| C | O3 | P | O | 80.1° | 175.0° |
| O3 | C | H3 | H4 | 120.5° | 120.0° |
| O3 | C | C1 | H5 | 65.6° | 43.4° |
| O3 | P | O2 | O1 | 120.8° | 120.0° |
| O3 | P | O2 | O | 118.8° | 120.0° |
| O3 | P | O1 | O | 119.2° | 120.0° |
| O3 | P | O | H1 | 118.3° | 180.0° |
| O3 | P | O1 | H2 | 119.7° | 60.0° |
| P | O3 | C | H3 | 141.0° | 59.9° |
| P | O3 | C | H4 | 20.6° | 60.0° |
| O2 | P | O1 | O | 121.1° | 120.0° |
| O2 | P | O | H1 | 0.0° | 60.0° |
| O2 | P | O1 | H2 | 0.0° | 180.0° |
| O1 | P | O | H1 | 121.6° | 60.0° |
| O | P | O1 | H2 | 121.1° | 60.0° |
| H3 | C | C1 | H5 | 174.6° | 76.7° |
| H4 | C | C1 | H5 | 54.2° | 163.3° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H9 | C4 | C5 | H11 | 166.2° | NaN° |
| H9 | C4 | C5 | H12 | 46.4° | 60.0° |
| H10 | C4 | C5 | H11 | 74.1° | 60.0° |
| H10 | C4 | C5 | H12 | 166.1° | 180.0° |
| H11 | C5 | C6 | H13 | 100.5° | 179.6° |
| H12 | C5 | C6 | H13 | 139.7° | 59.5° |
| H14 | C8 | H15 | H16 | 120.0° | 120.0° |
| H17 | C9 | C10 | H19 | 140.0° | 180.0° |
| H17 | C9 | C10 | H20 | 98.8° | 60.0° |
| H18 | C9 | C10 | H19 | 21.2° | 60.0° |
| H18 | C9 | C10 | H20 | 142.4° | 180.0° |
| H19 | C10 | C11 | H21 | 162.0° | 175.7° |
| H20 | C10 | C11 | H21 | 76.8° | 55.7° |
| H22 | C13 | H23 | H24 | 120.0° | 120.0° |
| H25 | C14 | C15 | H27 | 146.9° | 180.0° |
| H25 | C14 | C15 | H28 | 25.5° | 59.9° |
| H26 | C14 | C15 | H27 | 93.6° | 60.0° |
| H26 | C14 | C15 | H28 | 145.1° | 179.9° |
| H27 | C15 | C16 | H29 | 96.1° | 176.4° |
| H28 | C15 | C16 | H29 | 142.6° | 56.4° |
| H30 | C39 | H31 | H32 | 120.0° | 120.0° |
| H33 | C18 | C19 | H35 | 160.7° | 180.0° |
| H33 | C18 | C19 | H36 | 79.1° | 60.0° |
| H34 | C18 | C19 | H35 | 39.8° | 60.0° |
| H34 | C18 | C19 | H36 | 160.0° | 180.0° |
| H35 | C19 | C20 | H37 | 137.0° | 176.3° |
| H36 | C19 | C20 | H37 | 102.8° | 56.3° |
| H38 | C22 | H39 | H40 | 120.0° | 120.0° |
| H41 | C23 | C24 | H43 | 124.7° | 180.0° |
| H41 | C23 | C24 | H44 | 4.9° | 59.9° |
| H42 | C23 | C24 | H43 | 114.8° | 60.0° |
| H42 | C23 | C24 | H44 | 125.4° | 180.0° |
| H43 | C24 | C25 | H45 | 111.2° | 178.9° |
| H44 | C24 | C25 | H45 | 129.0° | 58.9° |
| H46 | C27 | H47 | H48 | 120.0° | 119.9° |
| H49 | C28 | C29 | H51 | 122.6° | 180.0° |
| H49 | C28 | C29 | H52 | 117.2° | 60.0° |
| H50 | C28 | C29 | H51 | 117.5° | 60.0° |
| H50 | C28 | C29 | H52 | 2.7° | 180.0° |
| H51 | C29 | C30 | H53 | 149.6° | 178.7° |
| H52 | C29 | C30 | H53 | 90.1° | 58.7° |
| H54 | C32 | H55 | H56 | 119.9° | 120.0° |
| H57 | C33 | C34 | H59 | 94.8° | 179.9° |
| H57 | C33 | C34 | H60 | 145.9° | 60.0° |
| H58 | C33 | C34 | H59 | 24.9° | 60.1° |
| H58 | C33 | C34 | H60 | 94.4° | 180.0° |
| H59 | C34 | C35 | H61 | 114.9° | 66.7° |
| H60 | C34 | C35 | H61 | 125.7° | 173.4° |
| H62 | C38 | H63 | H64 | 120.0° | 120.1° |
| H65 | C37 | H66 | H67 | 120.0° | 119.9° |
