WAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | C20 | doub | 1.21Å | 1.21Å | |
| O48 | C47 | sing | 1.43Å | 1.39Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | N19 | sing | 1.35Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C18 | C47 | sing | 1.53Å | 1.56Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| C18 | C16 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| O17 | C16 | sing | 1.43Å | 1.38Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C15 | O49 | sing | 1.43Å | 1.36Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.48Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.51Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C06 | C05 | sing | 1.53Å | 1.50Å | |
| C34 | C33 | sing | 1.53Å | 1.49Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C17 | C45 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C41 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | 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 | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | 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 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| O17 | H35 | sing | 0.97Å | 0.95Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| N19 | H37 | sing | 0.97Å | 1.00Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C28 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C31 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H65 | sing | 1.09Å | 1.10Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C38 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C40 | H77 | sing | 1.09Å | 1.10Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C41 | H79 | sing | 1.09Å | 1.10Å | |
| C42 | H80 | sing | 1.09Å | 1.10Å | |
| C42 | H81 | sing | 1.09Å | 1.10Å | |
| C43 | H82 | sing | 1.09Å | 1.10Å | |
| C43 | H83 | sing | 1.09Å | 1.10Å | |
| C44 | H84 | sing | 1.09Å | 1.10Å | |
| C44 | H85 | sing | 1.09Å | 1.10Å | |
| C45 | H86 | sing | 1.09Å | 1.10Å | |
| C45 | H87 | sing | 1.09Å | 1.10Å | |
| C47 | H88 | sing | 1.09Å | 1.10Å | |
| C47 | H89 | sing | 1.09Å | 1.10Å | |
| O48 | H90 | sing | 0.97Å | 0.95Å | |
| O49 | H91 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O46 | C20 | C21 | 120.1° | 120.0° |
| O46 | C20 | N19 | 122.0° | 120.0° |
| O48 | C47 | C18 | 107.4° | 109.5° |
| O48 | C47 | H88 | 110.0° | 109.5° |
| O48 | C47 | H89 | 110.0° | 109.5° |
| C47 | O48 | H90 | 109.5° | 114.0° |
| C21 | C20 | N19 | 117.9° | 120.0° |
| C20 | C21 | C22 | 111.9° | 109.5° |
| C20 | C21 | H38 | 108.9° | 109.4° |
| C20 | C21 | H39 | 108.9° | 109.5° |
| C20 | N19 | C18 | 126.8° | 120.0° |
| C20 | N19 | H37 | 116.6° | 120.0° |
| C21 | C22 | C23 | 112.7° | 109.5° |
| C22 | C21 | H38 | 108.8° | 109.5° |
| C22 | C21 | H39 | 108.8° | 109.5° |
| C21 | C22 | H40 | 108.6° | 109.5° |
| C21 | C22 | H41 | 108.7° | 109.5° |
| C47 | C18 | N19 | 113.5° | 109.4° |
| C47 | C18 | C16 | 109.3° | 109.4° |
| C47 | C18 | H36 | 106.5° | 109.5° |
| C18 | C47 | H88 | 110.0° | 109.5° |
| C18 | C47 | H89 | 110.0° | 109.5° |
| N19 | C18 | C16 | 112.9° | 109.5° |
| N19 | C18 | H36 | 107.4° | 109.5° |
| C18 | N19 | H37 | 116.6° | 120.0° |
| C18 | C16 | O17 | 103.0° | 109.5° |
| C18 | C16 | C15 | 116.9° | 109.5° |
| C18 | C16 | H31 | 108.7° | 109.5° |
| C16 | C18 | H36 | 106.7° | 109.5° |
| C22 | C23 | C24 | 115.6° | 109.5° |
| C23 | C22 | H40 | 108.7° | 109.4° |
| C23 | C22 | H41 | 108.7° | 109.4° |
| C22 | C23 | H42 | 107.9° | 109.4° |
| C22 | C23 | H43 | 107.9° | 109.4° |
| O17 | C16 | C15 | 108.5° | 109.4° |
| O17 | C16 | H31 | 110.9° | 109.4° |
| C16 | O17 | H35 | 109.5° | 114.0° |
| C16 | C15 | O49 | 111.0° | 109.4° |
| C16 | C15 | C14 | 112.6° | 109.5° |
| C16 | C15 | H30 | 106.6° | 109.5° |
| C15 | C16 | H31 | 108.8° | 109.4° |
| C23 | C24 | C25 | 113.9° | 109.5° |
| C24 | C23 | H42 | 107.9° | 109.5° |
| C24 | C23 | H43 | 107.9° | 109.5° |
| C23 | C24 | H44 | 108.4° | 109.5° |
| C23 | C24 | H45 | 108.3° | 109.5° |
| C24 | C25 | C26 | 113.6° | 109.4° |
| C25 | C24 | H44 | 108.3° | 109.4° |
| C25 | C24 | H45 | 108.4° | 109.5° |
| C24 | C25 | H46 | 108.4° | 109.4° |
| C24 | C25 | H47 | 108.4° | 109.4° |
| O49 | C15 | C14 | 110.8° | 109.5° |
| O49 | C15 | H30 | 108.7° | 109.5° |
| C15 | O49 | H91 | 109.5° | 114.0° |
| C15 | C14 | C13 | 110.3° | 109.4° |
| C15 | C14 | H28 | 109.3° | 109.5° |
| C15 | C14 | H29 | 109.3° | 109.5° |
| C14 | C15 | H30 | 106.9° | 109.5° |
| C25 | C26 | C27 | 111.7° | 109.4° |
| C26 | C25 | H46 | 108.4° | 109.5° |
| C26 | C25 | H47 | 108.4° | 109.5° |
| C25 | C26 | H48 | 108.9° | 109.5° |
| C25 | C26 | H49 | 108.9° | 109.5° |
| C14 | C13 | C12 | 112.5° | 109.4° |
| C14 | C13 | H26 | 108.7° | 109.5° |
| C14 | C13 | H27 | 108.7° | 109.5° |
| C13 | C14 | H28 | 109.3° | 109.5° |
| C13 | C14 | H29 | 109.2° | 109.5° |
| C13 | C12 | C11 | 113.1° | 109.4° |
| C13 | C12 | H24 | 108.5° | 109.5° |
| C13 | C12 | H25 | 108.5° | 109.5° |
| C12 | C13 | H26 | 108.7° | 109.5° |
| C12 | C13 | H27 | 108.7° | 109.5° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C27 | C26 | H48 | 108.9° | 109.4° |
| C27 | C26 | H49 | 108.9° | 109.4° |
| C26 | C27 | H50 | 108.6° | 109.5° |
| C26 | C27 | H51 | 108.6° | 109.4° |
| C12 | C11 | C10 | 111.3° | 109.4° |
| C12 | C11 | H22 | 109.0° | 109.5° |
| C12 | C11 | H23 | 109.0° | 109.5° |
| C11 | C12 | H24 | 108.6° | 109.5° |
| C11 | C12 | H25 | 108.6° | 109.5° |
| C27 | C28 | C29 | 112.3° | 109.5° |
| C28 | C27 | H50 | 108.7° | 109.5° |
| C28 | C27 | H51 | 108.6° | 109.5° |
| C27 | C28 | H52 | 108.7° | 109.5° |
| C27 | C28 | H53 | 108.8° | 109.5° |
| C11 | C10 | C09 | 112.3° | 109.5° |
| C11 | C10 | H20 | 108.8° | 109.5° |
| C11 | C10 | H21 | 108.7° | 109.5° |
| C10 | C11 | H22 | 109.0° | 109.5° |
| C10 | C11 | H23 | 109.0° | 109.5° |
| C10 | C09 | C08 | 111.9° | 109.5° |
| C10 | C09 | H18 | 108.9° | 109.5° |
| C10 | C09 | H19 | 108.9° | 109.4° |
| C09 | C10 | H20 | 108.8° | 109.5° |
| C09 | C10 | H21 | 108.8° | 109.5° |
| C28 | C29 | C30 | 115.0° | 109.5° |
| C29 | C28 | H52 | 108.8° | 109.4° |
| C29 | C28 | H53 | 108.8° | 109.4° |
| C28 | C29 | H54 | 108.1° | 109.4° |
| C28 | C29 | H55 | 108.1° | 109.4° |
| C29 | C30 | C31 | 113.3° | 109.5° |
| C30 | C29 | H54 | 108.1° | 109.5° |
| C30 | C29 | H55 | 108.1° | 109.5° |
| C29 | C30 | H56 | 108.5° | 109.5° |
| C29 | C30 | H57 | 108.5° | 109.5° |
| C09 | C08 | C07 | 114.2° | 109.4° |
| C09 | C08 | H16 | 108.3° | 109.4° |
| C09 | C08 | H17 | 108.3° | 109.5° |
| C08 | C09 | H18 | 108.8° | 109.5° |
| C08 | C09 | H19 | 108.9° | 109.5° |
| C08 | C07 | C06 | 113.7° | 109.4° |
| C08 | C07 | H14 | 108.4° | 109.5° |
| C08 | C07 | H15 | 108.4° | 109.5° |
| C07 | C08 | H16 | 108.3° | 109.5° |
| C07 | C08 | H17 | 108.3° | 109.5° |
| C30 | C31 | C32 | 114.2° | 109.5° |
| C31 | C30 | H56 | 108.5° | 109.4° |
| C31 | C30 | H57 | 108.5° | 109.4° |
| C30 | C31 | H58 | 108.3° | 109.4° |
| C30 | C31 | H59 | 108.3° | 109.4° |
| C31 | C32 | C33 | 114.6° | 109.5° |
| C32 | C31 | H58 | 108.3° | 109.5° |
| C32 | C31 | H59 | 108.3° | 109.5° |
| C31 | C32 | H60 | 108.2° | 109.5° |
| C31 | C32 | H61 | 108.2° | 109.5° |
| C07 | C06 | C05 | 112.7° | 109.4° |
| C07 | C06 | H12 | 108.7° | 109.5° |
| C07 | C06 | H13 | 108.7° | 109.5° |
| C06 | C07 | H14 | 108.4° | 109.5° |
| C06 | C07 | H15 | 108.4° | 109.4° |
| C32 | C33 | C34 | 111.3° | 109.4° |
| C33 | C32 | H60 | 108.2° | 109.4° |
| C33 | C32 | H61 | 108.2° | 109.5° |
| C32 | C33 | H62 | 109.0° | 109.4° |
| C32 | C33 | H63 | 109.0° | 109.4° |
| C06 | C05 | C04 | 109.6° | 109.4° |
| C06 | C05 | H10 | 109.4° | 109.5° |
| C06 | C05 | H11 | 109.5° | 109.5° |
| C05 | C06 | H12 | 108.7° | 109.5° |
| C05 | C06 | H13 | 108.7° | 109.5° |
| C33 | C34 | C35 | 112.6° | 109.4° |
| C34 | C33 | H62 | 109.0° | 109.5° |
| C34 | C33 | H63 | 109.0° | 109.5° |
| C33 | C34 | H64 | 108.7° | 109.5° |
| C33 | C34 | H65 | 108.7° | 109.5° |
| C34 | C35 | C36 | 112.3° | 109.5° |
| C35 | C34 | H64 | 108.7° | 109.4° |
| C35 | C34 | H65 | 108.7° | 109.4° |
| C34 | C35 | H66 | 108.8° | 109.4° |
| C34 | C35 | H67 | 108.8° | 109.5° |
| C05 | C04 | C03 | 111.9° | 109.5° |
| C05 | C04 | H8 | 108.8° | 109.5° |
| C05 | C04 | H9 | 108.9° | 109.5° |
| C04 | C05 | H10 | 109.4° | 109.5° |
| C04 | C05 | H11 | 109.4° | 109.5° |
| C17 | C45 | C44 | 112.5° | 109.5° |
| C45 | C17 | H32 | 109.5° | 109.5° |
| C45 | C17 | H33 | 109.4° | 109.5° |
| C45 | C17 | H34 | 109.4° | 109.5° |
| C17 | C45 | H86 | 108.7° | 109.5° |
| C17 | C45 | H87 | 108.7° | 109.5° |
| C35 | C36 | C37 | 112.0° | 109.5° |
| C36 | C35 | H66 | 108.8° | 109.5° |
| C36 | C35 | H67 | 108.8° | 109.5° |
| C35 | C36 | H68 | 108.8° | 109.5° |
| C35 | C36 | H69 | 108.8° | 109.5° |
| C04 | C03 | C02 | 114.0° | 109.5° |
| C04 | C03 | H6 | 108.3° | 109.5° |
| C04 | C03 | H7 | 108.3° | 109.4° |
| C03 | C04 | H8 | 108.9° | 109.5° |
| C03 | C04 | H9 | 108.9° | 109.4° |
| C45 | C44 | C43 | 110.8° | 109.5° |
| C45 | C44 | H84 | 109.2° | 109.4° |
| C45 | C44 | H85 | 109.1° | 109.4° |
| C44 | C45 | H86 | 108.7° | 109.4° |
| C44 | C45 | H87 | 108.7° | 109.4° |
| C44 | C43 | C42 | 113.4° | 109.5° |
| C44 | C43 | H82 | 108.5° | 109.5° |
| C44 | C43 | H83 | 108.5° | 109.5° |
| C43 | C44 | H84 | 109.1° | 109.5° |
| C43 | C44 | H85 | 109.1° | 109.5° |
| C36 | C37 | C38 | 111.0° | 109.5° |
| C37 | C36 | H68 | 108.9° | 109.4° |
| C37 | C36 | H69 | 108.9° | 109.4° |
| C36 | C37 | H70 | 109.1° | 109.4° |
| C36 | C37 | H71 | 109.1° | 109.4° |
| C03 | C02 | C01 | 112.7° | 109.4° |
| C03 | C02 | H4 | 108.6° | 109.5° |
| C03 | C02 | H5 | 108.7° | 109.5° |
| C02 | C03 | H6 | 108.3° | 109.5° |
| C02 | C03 | H7 | 108.3° | 109.5° |
| C43 | C42 | C41 | 114.5° | 109.5° |
| C43 | C42 | H80 | 108.2° | 109.4° |
| C43 | C42 | H81 | 108.2° | 109.4° |
| C42 | C43 | H82 | 108.5° | 109.4° |
| C42 | C43 | H83 | 108.5° | 109.4° |
| C42 | C41 | C40 | 111.7° | 109.5° |
| C42 | C41 | H78 | 108.9° | 109.5° |
| C42 | C41 | H79 | 108.9° | 109.5° |
| C41 | C42 | H80 | 108.2° | 109.5° |
| C41 | C42 | H81 | 108.2° | 109.5° |
| C37 | C38 | C39 | 113.7° | 109.5° |
| C38 | C37 | H70 | 109.1° | 109.5° |
| C38 | C37 | H71 | 109.1° | 109.5° |
| C37 | C38 | H72 | 108.4° | 109.5° |
| C37 | C38 | H73 | 108.4° | 109.5° |
| C41 | C40 | C39 | 113.9° | 109.5° |
| C41 | C40 | H76 | 108.3° | 109.4° |
| C41 | C40 | H77 | 108.3° | 109.4° |
| C40 | C41 | H78 | 108.9° | 109.4° |
| C40 | C41 | H79 | 108.9° | 109.5° |
| C40 | C39 | C38 | 110.5° | 109.5° |
| C40 | C39 | H74 | 109.2° | 109.5° |
| C40 | C39 | H75 | 109.2° | 109.5° |
| C39 | C40 | H76 | 108.3° | 109.5° |
| C39 | C40 | H77 | 108.4° | 109.5° |
| C39 | C38 | H72 | 108.4° | 109.4° |
| C39 | C38 | H73 | 108.4° | 109.4° |
| C38 | C39 | H74 | 109.2° | 109.4° |
| C38 | C39 | H75 | 109.2° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.7° | 109.5° |
| C01 | C02 | H5 | 108.7° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.4° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.4° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.4° | 109.4° |
| H22 | C11 | H23 | 109.5° | 109.5° |
| H24 | C12 | H25 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.4° |
| H32 | C17 | H34 | 109.5° | 109.5° |
| H33 | C17 | H34 | 109.5° | 109.4° |
| H38 | C21 | H39 | 109.5° | 109.4° |
| H40 | C22 | H41 | 109.4° | 109.4° |
| H42 | C23 | H43 | 109.5° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.4° |
| H46 | C25 | H47 | 109.5° | 109.5° |
| H48 | C26 | H49 | 109.5° | 109.6° |
| H50 | C27 | H51 | 109.5° | 109.5° |
| H52 | C28 | H53 | 109.5° | 109.4° |
| H54 | C29 | H55 | 109.5° | 109.4° |
| H56 | C30 | H57 | 109.5° | 109.5° |
| H58 | C31 | H59 | 109.5° | 109.4° |
| H60 | C32 | H61 | 109.5° | 109.4° |
| H62 | C33 | H63 | 109.5° | 109.5° |
| H64 | C34 | H65 | 109.5° | 109.5° |
| H66 | C35 | H67 | 109.5° | 109.4° |
| H68 | C36 | H69 | 109.4° | 109.4° |
| H70 | C37 | H71 | 109.5° | 109.5° |
| H72 | C38 | H73 | 109.5° | 109.4° |
| H74 | C39 | H75 | 109.5° | 109.4° |
| H76 | C40 | H77 | 109.5° | 109.5° |
| H78 | C41 | H79 | 109.5° | 109.4° |
| H80 | C42 | H81 | 109.4° | 109.4° |
| H82 | C43 | H83 | 109.4° | 109.5° |
| H84 | C44 | H85 | 109.5° | 109.4° |
| H86 | C45 | H87 | 109.5° | 109.4° |
| H88 | C47 | H89 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | C20 | C21 | N19 | 179.1° | 179.9° |
| O46 | C20 | C21 | C22 | 50.6° | 0.1° |
| O46 | C20 | N19 | C18 | 2.1° | 0.1° |
| O46 | C20 | N19 | H37 | 178.0° | 180.0° |
| O46 | C20 | C21 | H38 | 171.0° | 120.1° |
| O46 | C20 | C21 | H39 | 69.7° | 120.0° |
| O48 | C47 | C18 | H88 | 119.7° | 120.0° |
| O48 | C47 | C18 | H89 | 119.7° | 120.0° |
| O48 | C47 | C18 | N19 | 141.0° | 64.4° |
| O48 | C47 | C18 | C16 | 91.9° | 55.6° |
| O48 | C47 | C18 | H36 | 23.0° | 175.6° |
| O48 | C47 | H88 | H89 | 120.9° | 120.0° |
| C20 | C21 | C22 | H38 | 120.4° | 119.9° |
| C20 | C21 | C22 | H39 | 120.4° | 120.1° |
| C21 | C20 | N19 | C18 | 178.9° | 180.0° |
| C20 | C21 | C22 | C23 | 137.2° | 180.0° |
| C21 | C20 | N19 | H37 | 1.1° | 0.2° |
| C20 | C21 | H38 | H39 | 118.9° | 120.0° |
| C20 | C21 | C22 | H40 | 102.3° | 60.1° |
| C20 | C21 | C22 | H41 | 16.7° | 59.9° |
| N19 | C20 | C21 | C22 | 128.5° | 180.0° |
| C20 | N19 | C18 | C47 | 151.9° | 85.1° |
| C20 | N19 | C18 | H37 | 180.0° | 179.9° |
| C20 | N19 | C18 | C16 | 83.0° | 155.0° |
| C20 | N19 | C18 | H36 | 34.3° | 34.9° |
| N19 | C20 | C21 | H38 | 8.1° | 60.1° |
| N19 | C20 | C21 | H39 | 111.2° | 59.9° |
| C21 | C22 | C23 | H40 | 120.5° | 120.0° |
| C21 | C22 | C23 | H41 | 120.5° | 120.1° |
| C21 | C22 | C23 | C24 | 152.6° | 180.0° |
| C22 | C21 | H38 | H39 | 118.9° | 120.1° |
| C21 | C22 | H40 | H41 | 118.5° | 120.1° |
| C21 | C22 | C23 | H42 | 86.5° | 60.0° |
| C21 | C22 | C23 | H43 | 31.8° | 59.9° |
| C47 | C18 | N19 | C16 | 125.1° | 119.9° |
| C47 | C18 | N19 | H36 | 117.5° | 120.0° |
| C47 | C18 | C16 | H36 | 114.8° | 120.0° |
| C47 | C18 | C16 | O17 | 166.0° | 54.5° |
| C47 | C18 | C16 | C15 | 75.2° | 174.5° |
| C47 | C18 | C16 | H31 | 48.4° | 65.5° |
| C47 | C18 | N19 | H37 | 28.1° | 95.0° |
| C18 | C47 | H88 | H89 | 120.9° | 120.0° |
| C18 | C47 | O48 | H90 | 180.0° | 180.0° |
| N19 | C18 | C16 | H36 | 117.8° | 120.0° |
| N19 | C18 | C16 | O17 | 66.6° | 174.5° |
| N19 | C18 | C16 | C15 | 52.2° | 65.5° |
| N19 | C18 | C16 | H31 | 175.8° | 54.5° |
| N19 | C18 | C47 | H88 | 99.3° | 175.6° |
| N19 | C18 | C47 | H89 | 21.3° | 55.6° |
| C18 | C16 | O17 | C15 | 124.6° | 120.0° |
| C18 | C16 | O17 | H31 | 116.1° | 120.0° |
| C18 | C16 | C15 | H31 | 123.5° | 120.0° |
| C18 | C16 | C15 | O49 | 10.5° | 60.0° |
| C18 | C16 | C15 | C14 | 135.4° | 180.0° |
| C18 | C16 | C15 | H30 | 107.7° | 59.9° |
| C18 | C16 | O17 | H35 | 17.5° | 65.0° |
| C16 | C18 | N19 | H37 | 97.0° | 24.9° |
| C16 | C18 | C47 | H88 | 27.8° | 64.5° |
| C16 | C18 | C47 | H89 | 148.4° | 175.6° |
| C22 | C23 | C24 | H42 | 120.9° | 120.0° |
| C22 | C23 | C24 | H43 | 120.9° | 120.0° |
| C22 | C23 | C24 | C25 | 172.9° | 180.0° |
| C23 | C22 | C21 | H38 | 16.9° | 60.0° |
| C23 | C22 | C21 | H39 | 102.4° | 60.0° |
| C23 | C22 | H40 | H41 | 118.5° | 119.9° |
| C22 | C23 | H42 | H43 | 117.3° | 119.9° |
| C22 | C23 | C24 | H44 | 52.3° | 60.0° |
| C22 | C23 | C24 | H45 | 66.4° | 60.0° |
| O17 | C16 | C15 | H31 | 120.7° | 119.9° |
| O17 | C16 | C15 | O49 | 126.3° | 180.0° |
| O17 | C16 | C15 | C14 | 108.8° | 60.0° |
| O17 | C16 | C15 | H30 | 8.1° | 60.1° |
| O17 | C16 | C18 | H36 | 51.2° | 65.5° |
| C16 | C15 | O49 | C14 | 125.9° | 120.0° |
| C16 | C15 | O49 | H30 | 116.9° | 120.0° |
| C16 | C15 | C14 | H30 | 116.8° | 120.0° |
| C16 | C15 | C14 | C13 | 66.4° | 175.0° |
| C16 | C15 | C14 | H28 | 53.8° | 65.0° |
| C16 | C15 | C14 | H29 | 173.5° | 55.1° |
| C15 | C16 | O17 | H35 | 107.1° | 55.0° |
| C15 | C16 | C18 | H36 | 170.0° | 54.5° |
| C16 | C15 | O49 | H91 | 180.0° | 60.1° |
| C23 | C24 | C25 | H44 | 120.7° | 120.0° |
| C23 | C24 | C25 | H45 | 120.6° | 120.0° |
| C23 | C24 | C25 | C26 | 63.9° | 180.0° |
| C24 | C23 | C22 | H40 | 32.1° | 60.0° |
| C24 | C23 | C22 | H41 | 86.9° | 60.0° |
| C24 | C23 | H42 | H43 | 117.2° | 120.1° |
| C23 | C24 | H44 | H45 | 118.0° | 120.1° |
| C23 | C24 | C25 | H46 | 56.6° | 60.0° |
| C23 | C24 | C25 | H47 | 175.5° | 60.0° |
| C24 | C25 | C26 | H46 | 120.6° | 119.9° |
| C24 | C25 | C26 | H47 | 120.6° | 120.0° |
| C24 | C25 | C26 | C27 | 179.1° | 180.0° |
| C25 | C24 | C23 | H42 | 66.2° | 60.0° |
| C25 | C24 | C23 | H43 | 52.1° | 60.0° |
| C25 | C24 | H44 | H45 | 118.0° | 119.9° |
| C24 | C25 | H46 | H47 | 118.1° | 120.0° |
| C24 | C25 | C26 | H48 | 58.8° | 60.1° |
| C24 | C25 | C26 | H49 | 60.6° | 60.1° |
| O49 | C15 | C14 | H30 | 118.3° | 120.0° |
| O49 | C15 | C14 | C13 | 168.7° | 65.0° |
| O49 | C15 | C14 | H28 | 71.2° | 55.0° |
| O49 | C15 | C14 | H29 | 48.6° | 175.0° |
| O49 | C15 | C16 | H31 | 113.0° | 60.0° |
| C15 | C14 | C13 | H28 | 120.1° | 120.0° |
| C15 | C14 | C13 | H29 | 120.1° | 120.0° |
| C15 | C14 | C13 | C12 | 177.3° | 180.0° |
| C15 | C14 | C13 | H26 | 56.9° | 60.0° |
| C15 | C14 | C13 | H27 | 62.3° | 60.0° |
| C15 | C14 | H28 | H29 | 119.6° | 120.0° |
| C14 | C15 | C16 | H31 | 11.9° | 60.0° |
| C14 | C15 | O49 | H91 | 54.1° | 60.0° |
| C25 | C26 | C27 | H48 | 120.3° | 120.0° |
| C25 | C26 | C27 | H49 | 120.3° | 120.0° |
| C25 | C26 | C27 | C28 | 159.5° | 180.0° |
| C26 | C25 | C24 | H44 | 175.4° | 60.0° |
| C26 | C25 | C24 | H45 | 56.7° | 59.9° |
| C26 | C25 | H46 | H47 | 118.1° | 120.1° |
| C25 | C26 | H48 | H49 | 119.0° | 120.1° |
| C25 | C26 | C27 | H50 | 39.0° | 60.0° |
| C25 | C26 | C27 | H51 | 80.0° | 60.0° |
| C14 | C13 | C12 | H26 | 120.4° | 120.0° |
| C14 | C13 | C12 | H27 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 71.1° | 180.0° |
| C14 | C13 | C12 | H24 | 168.4° | 60.0° |
| C14 | C13 | C12 | H25 | 49.5° | 60.0° |
| C14 | C13 | H26 | H27 | 118.6° | 120.0° |
| C13 | C14 | H28 | H29 | 119.6° | 120.0° |
| C13 | C14 | C15 | H30 | 50.4° | 55.0° |
| C13 | C12 | C11 | H24 | 120.5° | 120.0° |
| C13 | C12 | C11 | H25 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 71.8° | 180.0° |
| C13 | C12 | C11 | H22 | 167.9° | 60.0° |
| C13 | C12 | C11 | H23 | 48.5° | 60.0° |
| C13 | C12 | H24 | H25 | 118.3° | 120.0° |
| C12 | C13 | H26 | H27 | 118.7° | 120.0° |
| C12 | C13 | C14 | H28 | 62.6° | 60.0° |
| C12 | C13 | C14 | H29 | 57.2° | 60.0° |
| C26 | C27 | C28 | H50 | 120.5° | 120.0° |
| C26 | C27 | C28 | H51 | 120.5° | 119.9° |
| C26 | C27 | C28 | C29 | 163.1° | 180.0° |
| C27 | C26 | C25 | H46 | 60.3° | 60.0° |
| C27 | C26 | C25 | H47 | 58.5° | 60.1° |
| C27 | C26 | H48 | H49 | 119.0° | 119.9° |
| C26 | C27 | H50 | H51 | 118.5° | 119.9° |
| C26 | C27 | C28 | H52 | 76.5° | 60.0° |
| C26 | C27 | C28 | H53 | 42.7° | 60.0° |
| C12 | C11 | C10 | H22 | 120.3° | 120.0° |
| C12 | C11 | C10 | H23 | 120.3° | 120.0° |
| C12 | C11 | C10 | C09 | 140.1° | 180.0° |
| C12 | C11 | C10 | H20 | 99.5° | 60.0° |
| C12 | C11 | C10 | H21 | 19.6° | 60.0° |
| C12 | C11 | H22 | H23 | 119.2° | 120.0° |
| C11 | C12 | H24 | H25 | 118.4° | 120.0° |
| C11 | C12 | C13 | H26 | 49.3° | 60.0° |
| C11 | C12 | C13 | H27 | 168.5° | 60.0° |
| C27 | C28 | C29 | H52 | 120.4° | 120.0° |
| C27 | C28 | C29 | H53 | 120.4° | 120.0° |
| C27 | C28 | C29 | C30 | 179.8° | 180.0° |
| C28 | C27 | C26 | H48 | 80.2° | 60.0° |
| C28 | C27 | C26 | H49 | 39.2° | 60.0° |
| C28 | C27 | H50 | H51 | 118.5° | 120.1° |
| C27 | C28 | H52 | H53 | 118.7° | 120.1° |
| C27 | C28 | C29 | H54 | 59.4° | 60.0° |
| C27 | C28 | C29 | H55 | 59.0° | 60.0° |
| C11 | C10 | C09 | H20 | 120.4° | 120.1° |
| C11 | C10 | C09 | H21 | 120.4° | 120.0° |
| C11 | C10 | C09 | C08 | 77.3° | NaN° |
| C11 | C10 | C09 | H18 | 43.1° | 59.9° |
| C11 | C10 | C09 | H19 | 162.4° | 60.0° |
| C11 | C10 | H20 | H21 | 118.7° | 120.0° |
| C10 | C11 | H22 | H23 | 119.2° | 120.0° |
| C10 | C11 | C12 | H24 | 48.7° | 60.0° |
| C10 | C11 | C12 | H25 | 167.7° | 60.0° |
| C10 | C09 | C08 | H18 | 120.4° | 120.0° |
| C10 | C09 | C08 | H19 | 120.4° | 119.9° |
| C10 | C09 | C08 | C07 | 147.9° | 180.0° |
| C10 | C09 | C08 | H16 | 27.2° | 60.0° |
| C10 | C09 | C08 | H17 | 91.5° | 60.0° |
| C10 | C09 | H18 | H19 | 118.9° | 119.9° |
| C09 | C10 | H20 | H21 | 118.7° | 120.0° |
| C09 | C10 | C11 | H22 | 19.8° | 60.0° |
| C09 | C10 | C11 | H23 | 99.6° | 60.1° |
| C28 | C29 | C30 | H54 | 120.8° | 120.0° |
| C28 | C29 | C30 | H55 | 120.8° | 120.0° |
| C28 | C29 | C30 | C31 | 47.2° | 180.0° |
| C29 | C28 | C27 | H50 | 42.6° | 60.0° |
| C29 | C28 | C27 | H51 | 76.4° | 60.1° |
| C29 | C28 | H52 | H53 | 118.7° | 119.9° |
| C28 | C29 | H54 | H55 | 117.5° | 119.9° |
| C28 | C29 | C30 | H56 | 167.8° | 60.0° |
| C28 | C29 | C30 | H57 | 73.3° | 60.1° |
| C29 | C30 | C31 | H56 | 120.6° | 120.0° |
| C29 | C30 | C31 | H57 | 120.6° | 120.0° |
| C29 | C30 | C31 | C32 | 168.9° | 180.0° |
| C30 | C29 | C28 | H52 | 59.4° | 60.0° |
| C30 | C29 | C28 | H53 | 59.8° | 60.0° |
| C30 | C29 | H54 | H55 | 117.5° | 120.1° |
| C29 | C30 | H56 | H57 | 118.3° | 120.1° |
| C29 | C30 | C31 | H58 | 70.4° | 60.0° |
| C29 | C30 | C31 | H59 | 48.2° | 60.0° |
| C09 | C08 | C07 | H16 | 120.7° | 120.0° |
| C09 | C08 | C07 | H17 | 120.7° | 120.0° |
| C09 | C08 | C07 | C06 | 31.2° | 180.0° |
| C09 | C08 | C07 | H14 | 89.5° | 60.0° |
| C09 | C08 | C07 | H15 | 151.8° | 60.1° |
| C09 | C08 | H16 | H17 | 117.9° | 119.9° |
| C08 | C09 | H18 | H19 | 118.9° | 120.1° |
| C08 | C09 | C10 | H20 | 162.3° | 59.9° |
| C08 | C09 | C10 | H21 | 43.1° | 60.0° |
| C08 | C07 | C06 | H14 | 120.6° | 120.0° |
| C08 | C07 | C06 | H15 | 120.6° | 120.0° |
| C08 | C07 | C06 | C05 | 153.2° | 180.0° |
| C08 | C07 | C06 | H12 | 32.7° | 60.0° |
| C08 | C07 | C06 | H13 | 86.3° | 60.0° |
| C08 | C07 | H14 | H15 | 118.1° | 120.1° |
| C07 | C08 | H16 | H17 | 117.8° | 120.1° |
| C07 | C08 | C09 | H18 | 91.8° | 60.0° |
| C07 | C08 | C09 | H19 | 27.5° | 60.1° |
| C30 | C31 | C32 | H58 | 120.7° | 120.0° |
| C30 | C31 | C32 | H59 | 120.7° | 120.0° |
| C30 | C31 | C32 | C33 | 70.4° | 180.0° |
| C31 | C30 | C29 | H54 | 73.6° | 60.0° |
| C31 | C30 | C29 | H55 | 168.0° | 60.0° |
| C31 | C30 | H56 | H57 | 118.2° | 119.9° |
| C30 | C31 | H58 | H59 | 117.8° | 119.9° |
| C30 | C31 | C32 | H60 | 168.8° | 60.0° |
| C30 | C31 | C32 | H61 | 50.4° | 60.0° |
| C31 | C32 | C33 | H60 | 120.7° | 120.0° |
| C31 | C32 | C33 | H61 | 120.8° | 120.1° |
| C31 | C32 | C33 | C34 | 71.2° | 180.0° |
| C32 | C31 | C30 | H56 | 48.4° | 60.0° |
| C32 | C31 | C30 | H57 | 70.5° | 60.0° |
| C32 | C31 | H58 | H59 | 117.8° | 120.1° |
| C31 | C32 | H60 | H61 | 117.6° | 120.1° |
| C31 | C32 | C33 | H62 | 168.5° | 60.1° |
| C31 | C32 | C33 | H63 | 49.0° | 60.0° |
| C07 | C06 | C05 | H12 | 120.5° | 120.0° |
| C07 | C06 | C05 | H13 | 120.5° | 120.0° |
| C07 | C06 | C05 | C04 | 107.0° | 180.0° |
| C07 | C06 | C05 | H10 | 133.0° | 60.0° |
| C07 | C06 | C05 | H11 | 13.0° | 60.0° |
| C07 | C06 | H12 | H13 | 118.5° | 120.0° |
| C06 | C07 | H14 | H15 | 118.1° | 120.0° |
| C06 | C07 | C08 | H16 | 151.9° | 60.0° |
| C06 | C07 | C08 | H17 | 89.5° | 60.0° |
| C32 | C33 | C34 | H62 | 120.3° | 119.9° |
| C32 | C33 | C34 | H63 | 120.3° | 120.0° |
| C32 | C33 | C34 | C35 | 143.4° | 180.0° |
| C33 | C32 | C31 | H58 | 50.3° | 60.0° |
| C33 | C32 | C31 | H59 | 168.9° | 60.0° |
| C33 | C32 | H60 | H61 | 117.7° | 119.9° |
| C32 | C33 | H62 | H63 | 119.2° | 120.0° |
| C32 | C33 | C34 | H64 | 96.2° | 60.1° |
| C32 | C33 | C34 | H65 | 22.9° | 60.0° |
| C06 | C05 | C04 | H10 | 120.0° | 120.0° |
| C06 | C05 | C04 | H11 | 120.0° | 120.0° |
| C06 | C05 | C04 | C03 | 167.6° | 180.0° |
| C06 | C05 | C04 | H8 | 47.2° | 60.0° |
| C06 | C05 | C04 | H9 | 72.0° | 60.0° |
| C06 | C05 | H10 | H11 | 120.0° | 120.0° |
| C05 | C06 | H12 | H13 | 118.6° | 120.0° |
| C05 | C06 | C07 | H14 | 86.2° | 60.0° |
| C05 | C06 | C07 | H15 | 32.5° | 60.0° |
| C33 | C34 | C35 | H64 | 120.5° | 120.0° |
| C33 | C34 | C35 | H65 | 120.5° | 120.0° |
| C33 | C34 | C35 | C36 | 71.8° | 180.0° |
| C34 | C33 | C32 | H60 | 49.5° | 60.0° |
| C34 | C33 | C32 | H61 | 168.0° | 59.9° |
| C34 | C33 | H62 | H63 | 119.1° | 120.1° |
| C33 | C34 | H64 | H65 | 118.6° | 120.1° |
| C33 | C34 | C35 | H66 | 167.8° | 60.0° |
| C33 | C34 | C35 | H67 | 48.7° | 59.9° |
| C34 | C35 | C36 | H66 | 120.4° | 120.0° |
| C34 | C35 | C36 | H67 | 120.4° | 120.0° |
| C34 | C35 | C36 | C37 | 134.3° | 180.0° |
| C35 | C34 | C33 | H62 | 23.1° | 60.1° |
| C35 | C34 | C33 | H63 | 96.4° | 60.0° |
| C35 | C34 | H64 | H65 | 118.5° | 120.0° |
| C34 | C35 | H66 | H67 | 118.7° | 119.9° |
| C34 | C35 | C36 | H68 | 105.3° | 60.0° |
| C34 | C35 | C36 | H69 | 13.9° | 60.0° |
| C05 | C04 | C03 | H8 | 120.4° | 120.0° |
| C05 | C04 | C03 | H9 | 120.4° | 120.0° |
| C05 | C04 | C03 | C02 | 60.5° | 180.0° |
| C05 | C04 | C03 | H6 | 60.2° | 59.9° |
| C05 | C04 | C03 | H7 | 178.8° | 60.0° |
| C05 | C04 | H8 | H9 | 118.9° | 120.1° |
| C04 | C05 | H10 | H11 | 119.9° | 120.0° |
| C04 | C05 | C06 | H12 | 13.5° | 60.0° |
| C04 | C05 | C06 | H13 | 132.6° | 60.0° |
| C17 | C45 | C44 | H86 | 120.5° | 120.1° |
| C17 | C45 | C44 | H87 | 120.4° | 120.0° |
| C17 | C45 | C44 | C43 | 123.2° | 180.0° |
| C45 | C17 | H32 | H33 | 120.0° | 120.0° |
| C45 | C17 | H32 | H34 | 120.0° | 120.1° |
| C45 | C17 | H33 | H34 | 120.0° | 120.1° |
| C17 | C45 | C44 | H84 | 116.6° | 60.0° |
| C17 | C45 | C44 | H85 | 3.0° | 59.9° |
| C17 | C45 | H86 | H87 | 118.6° | 120.0° |
| C35 | C36 | C37 | H68 | 120.4° | 120.0° |
| C35 | C36 | C37 | H69 | 120.4° | 120.1° |
| C35 | C36 | C37 | C38 | 167.9° | 180.0° |
| C36 | C35 | C34 | H64 | 48.7° | 60.1° |
| C36 | C35 | C34 | H65 | 167.8° | 60.0° |
| C36 | C35 | H66 | H67 | 118.7° | 120.1° |
| C35 | C36 | H68 | H69 | 118.8° | 120.1° |
| C35 | C36 | C37 | H70 | 47.7° | 60.0° |
| C35 | C36 | C37 | H71 | 71.9° | 60.0° |
| C04 | C03 | C02 | H6 | 120.6° | 120.0° |
| C04 | C03 | C02 | H7 | 120.7° | 119.9° |
| C04 | C03 | C02 | C01 | 50.7° | 180.0° |
| C04 | C03 | C02 | H4 | 69.7° | 60.0° |
| C04 | C03 | C02 | H5 | 171.2° | 60.0° |
| C04 | C03 | H6 | H7 | 117.9° | 119.9° |
| C03 | C04 | H8 | H9 | 118.9° | 119.9° |
| C03 | C04 | C05 | H10 | 72.4° | 60.0° |
| C03 | C04 | C05 | H11 | 47.5° | 60.1° |
| C45 | C44 | C43 | H84 | 120.2° | 120.0° |
| C45 | C44 | C43 | H85 | 120.2° | 120.0° |
| C45 | C44 | C43 | C42 | 178.6° | NaN° |
| C44 | C45 | C17 | H32 | 180.0° | 179.9° |
| C44 | C45 | C17 | H33 | 60.0° | 60.0° |
| C44 | C45 | C17 | H34 | 60.0° | 60.0° |
| C45 | C44 | C43 | H82 | 60.8° | 60.0° |
| C45 | C44 | C43 | H83 | 57.9° | 60.1° |
| C45 | C44 | H84 | H85 | 119.4° | 119.9° |
| C44 | C45 | H86 | H87 | 118.6° | 119.9° |
| C44 | C43 | C42 | H82 | 120.6° | 120.0° |
| C44 | C43 | C42 | H83 | 120.6° | 120.0° |
| C44 | C43 | C42 | C41 | 54.7° | 180.0° |
| C44 | C43 | C42 | H80 | 66.1° | 60.0° |
| C44 | C43 | C42 | H81 | 175.4° | 60.0° |
| C44 | C43 | H82 | H83 | 118.2° | 120.1° |
| C43 | C44 | H84 | H85 | 119.4° | 120.1° |
| C43 | C44 | C45 | H86 | 2.7° | 60.0° |
| C43 | C44 | C45 | H87 | 116.4° | 60.0° |
| C36 | C37 | C38 | H70 | 120.2° | 120.0° |
| C36 | C37 | C38 | H71 | 120.2° | 119.9° |
| C36 | C37 | C38 | C39 | 134.2° | 180.0° |
| C37 | C36 | C35 | H66 | 13.8° | 60.0° |
| C37 | C36 | C35 | H67 | 105.3° | 60.0° |
| C37 | C36 | H68 | H69 | 118.9° | 119.9° |
| C36 | C37 | H70 | H71 | 119.3° | 119.9° |
| C36 | C37 | C38 | H72 | 105.2° | 60.0° |
| C36 | C37 | C38 | H73 | 13.5° | 60.0° |
| C03 | C02 | C01 | H4 | 120.5° | 120.0° |
| C03 | C02 | C01 | H5 | 120.5° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.1° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.5° | 120.0° |
| C02 | C03 | H6 | H7 | 117.9° | 120.0° |
| C02 | C03 | C04 | H8 | 179.1° | 60.0° |
| C02 | C03 | C04 | H9 | 59.9° | 60.0° |
| C43 | C42 | C41 | H80 | 120.8° | 120.0° |
| C43 | C42 | C41 | H81 | 120.7° | 120.0° |
| C43 | C42 | C41 | C40 | 162.8° | 180.0° |
| C43 | C42 | C41 | H78 | 42.5° | 60.0° |
| C43 | C42 | C41 | H79 | 76.8° | 60.0° |
| C43 | C42 | H80 | H81 | 117.7° | 119.9° |
| C42 | C43 | H82 | H83 | 118.2° | 119.9° |
| C42 | C43 | C44 | H84 | 58.3° | 60.0° |
| C42 | C43 | C44 | H85 | 61.3° | 60.0° |
| C42 | C41 | C40 | H78 | 120.3° | 120.0° |
| C42 | C41 | C40 | H79 | 120.3° | 120.1° |
| C42 | C41 | C40 | C39 | 148.2° | 180.0° |
| C42 | C41 | C40 | H76 | 27.5° | 60.1° |
| C42 | C41 | C40 | H77 | 91.2° | 60.0° |
| C42 | C41 | H78 | H79 | 119.0° | 120.1° |
| C41 | C42 | H80 | H81 | 117.7° | 120.1° |
| C41 | C42 | C43 | H82 | 175.3° | 60.0° |
| C41 | C42 | C43 | H83 | 65.9° | 60.0° |
| C37 | C38 | C39 | C40 | 144.4° | 180.0° |
| C37 | C38 | C39 | H72 | 120.6° | 120.0° |
| C37 | C38 | C39 | H73 | 120.6° | 120.0° |
| C38 | C37 | C36 | H68 | 71.7° | 60.0° |
| C38 | C37 | C36 | H69 | 47.5° | 60.0° |
| C38 | C37 | H70 | H71 | 119.3° | 120.1° |
| C37 | C38 | H72 | H73 | 118.1° | 120.1° |
| C37 | C38 | C39 | H74 | 95.4° | 60.0° |
| C37 | C38 | C39 | H75 | 24.3° | 60.0° |
| C41 | C40 | C39 | H76 | 120.6° | 119.9° |
| C41 | C40 | C39 | H77 | 120.7° | 120.0° |
| C41 | C40 | C39 | C38 | 179.9° | 180.0° |
| C41 | C40 | C39 | H74 | 59.7° | 60.0° |
| C41 | C40 | C39 | H75 | 60.0° | 60.0° |
| C41 | C40 | H76 | H77 | 118.0° | 119.9° |
| C40 | C41 | H78 | H79 | 119.0° | 119.9° |
| C40 | C41 | C42 | H80 | 76.4° | 60.0° |
| C40 | C41 | C42 | H81 | 42.1° | 60.0° |
| C40 | C39 | C38 | H74 | 120.1° | 120.0° |
| C40 | C39 | C38 | H75 | 120.2° | 120.0° |
| C40 | C39 | C38 | H72 | 94.9° | 60.0° |
| C40 | C39 | C38 | H73 | 23.8° | 60.0° |
| C40 | C39 | H74 | H75 | 119.5° | 120.1° |
| C39 | C40 | H76 | H77 | 118.0° | 120.1° |
| C39 | C40 | C41 | H78 | 91.5° | 60.0° |
| C39 | C40 | C41 | H79 | 27.8° | 60.0° |
| C39 | C38 | C37 | H70 | 13.9° | 60.0° |
| C39 | C38 | C37 | H71 | 105.6° | 60.1° |
| C39 | C38 | H72 | H73 | 118.1° | 119.9° |
| C38 | C39 | H74 | H75 | 119.5° | 119.9° |
| C38 | C39 | C40 | H76 | 59.5° | 60.0° |
| C38 | C39 | C40 | H77 | 59.2° | 60.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | H4 | H5 | 118.5° | 120.0° |
| C01 | C02 | C03 | H6 | 171.4° | 60.0° |
| C01 | C02 | C03 | H7 | 70.0° | 60.1° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.6° | 60.0° |
| H1 | C01 | C02 | H5 | 59.5° | 60.0° |
| H2 | C01 | C02 | H4 | 179.6° | 60.0° |
| H2 | C01 | C02 | H5 | 60.5° | 180.0° |
| H3 | C01 | C02 | H4 | 60.5° | 180.0° |
| H3 | C01 | C02 | H5 | 179.5° | 60.0° |
| H4 | C02 | C03 | H6 | 50.9° | 180.0° |
| H4 | C02 | C03 | H7 | 169.6° | 60.0° |
| H5 | C02 | C03 | H6 | 68.2° | 60.0° |
| H5 | C02 | C03 | H7 | 50.5° | 179.9° |
| H6 | C03 | C04 | H8 | 60.2° | 180.0° |
| H6 | C03 | C04 | H9 | 179.5° | 60.1° |
| H7 | C03 | C04 | H8 | 58.5° | 60.0° |
| H7 | C03 | C04 | H9 | 60.8° | 179.9° |
| H8 | C04 | C05 | H10 | 167.2° | 180.0° |
| H8 | C04 | C05 | H11 | 72.8° | 60.0° |
| H9 | C04 | C05 | H10 | 48.0° | 60.0° |
| H9 | C04 | C05 | H11 | 167.9° | 180.0° |
| H10 | C05 | C06 | H12 | 106.5° | 180.0° |
| H10 | C05 | C06 | H13 | 12.5° | 60.0° |
| H11 | C05 | C06 | H12 | 133.5° | 59.9° |
| H11 | C05 | C06 | H13 | 107.4° | 180.0° |
| H12 | C06 | C07 | H14 | 153.3° | 180.0° |
| H12 | C06 | C07 | H15 | 87.9° | 60.0° |
| H13 | C06 | C07 | H14 | 34.3° | 60.0° |
| H13 | C06 | C07 | H15 | 153.0° | 180.0° |
| H14 | C07 | C08 | H16 | 31.2° | 180.0° |
| H14 | C07 | C08 | H17 | 149.8° | 60.0° |
| H15 | C07 | C08 | H16 | 87.5° | 59.9° |
| H15 | C07 | C08 | H17 | 31.1° | 180.0° |
| H16 | C08 | C09 | H18 | 147.6° | 180.0° |
| H16 | C08 | C09 | H19 | 93.2° | 60.0° |
| H17 | C08 | C09 | H18 | 28.9° | 60.0° |
| H17 | C08 | C09 | H19 | 148.2° | 179.9° |
| H18 | C09 | C10 | H20 | 77.4° | 180.0° |
| H18 | C09 | C10 | H21 | 163.5° | 60.0° |
| H19 | C09 | C10 | H20 | 41.9° | 60.0° |
| H19 | C09 | C10 | H21 | 77.2° | 180.0° |
| H20 | C10 | C11 | H22 | 140.2° | 180.0° |
| H20 | C10 | C11 | H23 | 20.8° | 60.0° |
| H21 | C10 | C11 | H22 | 100.7° | 60.0° |
| H21 | C10 | C11 | H23 | 139.9° | 179.9° |
| H22 | C11 | C12 | H24 | 71.5° | 179.9° |
| H22 | C11 | C12 | H25 | 47.4° | 60.0° |
| H23 | C11 | C12 | H24 | 169.0° | 59.9° |
| H23 | C11 | C12 | H25 | 72.0° | 180.0° |
| H24 | C12 | C13 | H26 | 71.2° | 180.0° |
| H24 | C12 | C13 | H27 | 48.0° | 59.9° |
| H25 | C12 | C13 | H26 | 169.9° | 60.0° |
| H25 | C12 | C13 | H27 | 70.9° | 180.0° |
| H26 | C13 | C14 | H28 | 177.0° | 180.0° |
| H26 | C13 | C14 | H29 | 63.3° | 59.9° |
| H27 | C13 | C14 | H28 | 57.9° | 59.9° |
| H27 | C13 | C14 | H29 | 177.6° | 180.0° |
| H28 | C14 | C15 | H30 | 170.5° | 175.0° |
| H29 | C14 | C15 | H30 | 69.7° | 65.0° |
| H30 | C15 | C16 | H31 | 128.8° | 180.0° |
| H30 | C15 | O49 | H91 | 63.1° | 180.0° |
| H31 | C16 | O17 | H35 | 133.5° | 174.9° |
| H31 | C16 | C18 | H36 | 66.4° | 174.5° |
| H32 | C17 | H33 | H34 | 120.0° | 120.0° |
| H32 | C17 | C45 | H86 | 59.5° | 59.9° |
| H32 | C17 | C45 | H87 | 59.6° | 60.1° |
| H33 | C17 | C45 | H86 | 60.5° | 60.0° |
| H33 | C17 | C45 | H87 | 179.6° | 180.0° |
| H34 | C17 | C45 | H86 | 179.5° | 180.0° |
| H34 | C17 | C45 | H87 | 60.4° | 60.0° |
| H36 | C18 | N19 | H37 | 145.6° | 144.9° |
| H36 | C18 | C47 | H88 | 142.6° | 55.5° |
| H36 | C18 | C47 | H89 | 96.7° | 64.4° |
| H38 | C21 | C22 | H40 | 137.4° | 180.0° |
| H38 | C21 | C22 | H41 | 103.6° | 60.0° |
| H39 | C21 | C22 | H40 | 18.1° | 60.0° |
| H39 | C21 | C22 | H41 | 137.1° | 180.0° |
| H40 | C22 | C23 | H42 | 153.0° | 180.0° |
| H40 | C22 | C23 | H43 | 88.7° | 60.1° |
| H41 | C22 | C23 | H42 | 34.0° | 60.1° |
| H41 | C22 | C23 | H43 | 152.3° | 180.0° |
| H42 | C23 | C24 | H44 | 173.2° | NaN° |
| H42 | C23 | C24 | H45 | 54.5° | 60.0° |
| H43 | C23 | C24 | H44 | 68.6° | 60.0° |
| H43 | C23 | C24 | H45 | 172.7° | NaN° |
| H44 | C24 | C25 | H46 | 64.0° | 180.0° |
| H44 | C24 | C25 | H47 | 54.8° | 60.0° |
| H45 | C24 | C25 | H46 | 177.3° | 60.0° |
| H45 | C24 | C25 | H47 | 63.9° | 180.0° |
| H46 | C25 | C26 | H48 | 179.4° | NaN° |
| H46 | C25 | C26 | H49 | 60.0° | 59.9° |
| H47 | C25 | C26 | H48 | 61.8° | 59.9° |
| H47 | C25 | C26 | H49 | 178.8° | 180.0° |
| H48 | C26 | C27 | H50 | 159.3° | 180.0° |
| H48 | C26 | C27 | H51 | 40.3° | 60.0° |
| H49 | C26 | C27 | H50 | 81.3° | 60.0° |
| H49 | C26 | C27 | H51 | 159.7° | 180.0° |
| H50 | C27 | C28 | H52 | 163.0° | 180.0° |
| H50 | C27 | C28 | H53 | 77.8° | 60.0° |
| H51 | C27 | C28 | H52 | 44.0° | 59.9° |
| H51 | C27 | C28 | H53 | 163.2° | 180.0° |
| H52 | C28 | C29 | H54 | 179.8° | 180.0° |
| H52 | C28 | C29 | H55 | 61.4° | 60.1° |
| H53 | C28 | C29 | H54 | 61.0° | 60.1° |
| H53 | C28 | C29 | H55 | 179.4° | 180.0° |
| H54 | C29 | C30 | H56 | 47.0° | 180.0° |
| H54 | C29 | C30 | H57 | 165.9° | 59.9° |
| H55 | C29 | C30 | H56 | 71.4° | 60.0° |
| H55 | C29 | C30 | H57 | 47.5° | 180.0° |
| H56 | C30 | C31 | H58 | 169.1° | 180.0° |
| H56 | C30 | C31 | H59 | 72.3° | 60.1° |
| H57 | C30 | C31 | H58 | 50.2° | 60.1° |
| H57 | C30 | C31 | H59 | 168.8° | 180.0° |
| H58 | C31 | C32 | H60 | 70.5° | 180.0° |
| H58 | C31 | C32 | H61 | 171.1° | 60.0° |
| H59 | C31 | C32 | H60 | 48.1° | 60.0° |
| H59 | C31 | C32 | H61 | 70.3° | NaN° |
| H60 | C32 | C33 | H62 | 70.8° | 180.0° |
| H60 | C32 | C33 | H63 | 169.8° | 60.0° |
| H61 | C32 | C33 | H62 | 47.7° | 60.0° |
| H61 | C32 | C33 | H63 | 71.7° | 180.0° |
| H62 | C33 | C34 | H64 | 143.5° | 180.0° |
| H62 | C33 | C34 | H65 | 97.4° | 59.9° |
| H63 | C33 | C34 | H64 | 24.1° | 59.9° |
| H63 | C33 | C34 | H65 | 143.2° | 180.0° |
| H64 | C34 | C35 | H66 | 71.7° | 180.0° |
| H64 | C34 | C35 | H67 | 169.1° | 60.0° |
| H65 | C34 | C35 | H66 | 47.3° | 60.0° |
| H65 | C34 | C35 | H67 | 71.8° | 180.0° |
| H66 | C35 | C36 | H68 | 134.2° | 180.0° |
| H66 | C35 | C36 | H69 | 106.6° | 60.0° |
| H67 | C35 | C36 | H68 | 15.1° | 60.0° |
| H67 | C35 | C36 | H69 | 134.3° | 180.0° |
| H68 | C36 | C37 | H70 | 168.1° | 180.0° |
| H68 | C36 | C37 | H71 | 48.5° | 60.0° |
| H69 | C36 | C37 | H70 | 72.7° | 60.1° |
| H69 | C36 | C37 | H71 | 167.7° | 180.0° |
| H70 | C37 | C38 | H72 | 134.6° | 180.0° |
| H70 | C37 | C38 | H73 | 106.7° | 60.0° |
| H71 | C37 | C38 | H72 | 15.0° | 59.9° |
| H71 | C37 | C38 | H73 | 133.7° | 180.0° |
| H72 | C38 | C39 | H74 | 25.2° | 180.0° |
| H72 | C38 | C39 | H75 | 144.9° | 60.1° |
| H73 | C38 | C39 | H74 | 143.9° | 60.1° |
| H73 | C38 | C39 | H75 | 96.4° | 180.0° |
| H74 | C39 | C40 | H76 | 179.6° | 180.0° |
| H74 | C39 | C40 | H77 | 60.9° | 59.9° |
| H75 | C39 | C40 | H76 | 60.7° | 59.9° |
| H75 | C39 | C40 | H77 | 179.4° | 180.0° |
| H76 | C40 | C41 | H78 | 147.9° | 180.0° |
| H76 | C40 | C41 | H79 | 92.8° | 60.0° |
| H77 | C40 | C41 | H78 | 29.2° | 60.0° |
| H77 | C40 | C41 | H79 | 148.5° | 180.0° |
| H78 | C41 | C42 | H80 | 163.2° | 180.0° |
| H78 | C41 | C42 | H81 | 78.3° | 60.0° |
| H79 | C41 | C42 | H80 | 43.9° | 60.0° |
| H79 | C41 | C42 | H81 | 162.4° | 180.0° |
| H80 | C42 | C43 | H82 | 54.5° | 180.0° |
| H80 | C42 | C43 | H83 | 173.3° | 60.1° |
| H81 | C42 | C43 | H82 | 63.9° | 60.1° |
| H81 | C42 | C43 | H83 | 54.8° | 180.0° |
| H82 | C43 | C44 | H84 | 179.0° | 180.0° |
| H82 | C43 | C44 | H85 | 59.3° | 60.0° |
| H83 | C43 | C44 | H84 | 62.3° | 59.9° |
| H83 | C43 | C44 | H85 | 178.1° | 180.0° |
| H84 | C44 | C45 | H86 | 122.9° | 60.1° |
| H84 | C44 | C45 | H87 | 3.8° | 180.0° |
| H85 | C44 | C45 | H86 | 117.4° | 180.0° |
| H85 | C44 | C45 | H87 | 123.4° | 60.1° |
| H88 | C47 | O48 | H90 | 60.3° | 59.9° |
| H89 | C47 | O48 | H90 | 60.3° | 60.0° |
