3IY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C52 | C51 | sing | 1.53Å | 1.53Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.54Å | |
| C50 | C49 | sing | 1.53Å | 1.54Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C54 | C53 | sing | 1.53Å | 1.52Å | |
| C54 | C55 | sing | 1.53Å | 1.53Å | |
| C58 | C57 | sing | 1.53Å | 1.53Å | |
| C56 | C55 | sing | 1.53Å | 1.52Å | |
| C56 | C57 | sing | 1.53Å | 1.53Å | |
| C48 | C47 | sing | 1.51Å | 1.55Å | |
| O61 | C47 | doub | 1.21Å | 1.19Å | |
| C47 | O46 | sing | 1.34Å | 1.41Å | |
| O46 | C45 | sing | 1.45Å | 1.40Å | |
| C45 | C12 | sing | 1.53Å | 1.53Å | |
| O13 | C12 | sing | 1.45Å | 1.40Å | |
| O13 | C14 | sing | 1.34Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | O44 | doub | 1.21Å | 1.18Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C11 | O10 | sing | 1.43Å | 1.40Å | |
| O10 | P02 | sing | 1.61Å | 1.66Å | |
| O01 | P02 | doub | 1.48Å | 1.51Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | C40 | doub | 1.31Å | 1.31Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C21 | C22 | doub | 1.31Å | 1.34Å | |
| P02 | O62 | sing | 1.61Å | 1.51Å | |
| P02 | O03 | sing | 1.61Å | 1.65Å | |
| C40 | C39 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.47Å | 1.45Å | |
| C04 | O03 | sing | 1.43Å | 1.40Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C07 | N06 | sing | 1.47Å | 1.45Å | |
| N06 | C09 | sing | 1.47Å | 1.45Å | |
| N06 | C08 | sing | 1.47Å | 1.45Å | |
| C39 | C38 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | C25 | doub | 1.31Å | 1.35Å | |
| C38 | C37 | doub | 1.31Å | 1.33Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C37 | C36 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | doub | 1.31Å | 1.34Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C35 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | H55 | sing | 1.08Å | 1.08Å | |
| C38 | H56 | sing | 1.08Å | 1.08Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.08Å | 1.08Å | |
| C41 | H60 | sing | 1.08Å | 1.08Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C45 | H66 | sing | 1.09Å | 1.10Å | |
| C45 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C48 | H69 | sing | 1.09Å | 1.10Å | |
| C49 | H70 | sing | 1.09Å | 1.10Å | |
| C49 | H71 | sing | 1.09Å | 1.10Å | |
| C50 | H72 | sing | 1.09Å | 1.10Å | |
| C50 | H73 | sing | 1.09Å | 1.10Å | |
| C51 | H74 | sing | 1.09Å | 1.10Å | |
| C51 | H75 | sing | 1.09Å | 1.10Å | |
| C52 | H76 | sing | 1.09Å | 1.10Å | |
| C52 | H77 | sing | 1.09Å | 1.10Å | |
| C53 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | H79 | sing | 1.09Å | 1.10Å | |
| C54 | H80 | sing | 1.09Å | 1.10Å | |
| C54 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C55 | H83 | sing | 1.09Å | 1.10Å | |
| C56 | H84 | sing | 1.09Å | 1.10Å | |
| C56 | H85 | sing | 1.09Å | 1.10Å | |
| C57 | H86 | sing | 1.09Å | 1.10Å | |
| C57 | H87 | sing | 1.09Å | 1.10Å | |
| C58 | H88 | sing | 1.09Å | 1.10Å | |
| C58 | H89 | sing | 1.09Å | 1.10Å | |
| C58 | H90 | sing | 1.09Å | 1.10Å | |
| O62 | H91 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C52 | C53 | 111.9° | 109.5° |
| C52 | C51 | C50 | 113.1° | 109.5° |
| C52 | C51 | H74 | 108.6° | 109.5° |
| C52 | C51 | H75 | 108.6° | 109.5° |
| C51 | C52 | H76 | 108.8° | 109.5° |
| C51 | C52 | H77 | 108.9° | 109.5° |
| C52 | C53 | C54 | 112.5° | 109.5° |
| C53 | C52 | H76 | 108.9° | 109.4° |
| C53 | C52 | H77 | 108.9° | 109.5° |
| C52 | C53 | H78 | 108.7° | 109.4° |
| C52 | C53 | H79 | 108.7° | 109.5° |
| C51 | C50 | C49 | 111.5° | 109.5° |
| C51 | C50 | H72 | 109.0° | 109.5° |
| C51 | C50 | H73 | 108.9° | 109.4° |
| C50 | C51 | H74 | 108.6° | 109.4° |
| C50 | C51 | H75 | 108.6° | 109.5° |
| C50 | C49 | C48 | 112.9° | 109.5° |
| C50 | C49 | H70 | 108.6° | 109.5° |
| C50 | C49 | H71 | 108.6° | 109.4° |
| C49 | C50 | H72 | 109.0° | 109.5° |
| C49 | C50 | H73 | 108.9° | 109.4° |
| C49 | C48 | C47 | 112.1° | 109.5° |
| C49 | C48 | H68 | 108.8° | 109.5° |
| C49 | C48 | H69 | 108.8° | 109.5° |
| C48 | C49 | H70 | 108.6° | 109.5° |
| C48 | C49 | H71 | 108.6° | 109.5° |
| C53 | C54 | C55 | 112.3° | 109.5° |
| C54 | C53 | H78 | 108.7° | 109.5° |
| C54 | C53 | H79 | 108.7° | 109.5° |
| C53 | C54 | H80 | 108.8° | 109.4° |
| C53 | C54 | H81 | 108.8° | 109.5° |
| C54 | C55 | C56 | 110.8° | 109.5° |
| C55 | C54 | H80 | 108.8° | 109.5° |
| C55 | C54 | H81 | 108.8° | 109.5° |
| C54 | C55 | H82 | 109.1° | 109.5° |
| C54 | C55 | H83 | 109.1° | 109.5° |
| C58 | C57 | C56 | 111.8° | 109.5° |
| C58 | C57 | H86 | 108.9° | 109.5° |
| C58 | C57 | H87 | 108.9° | 109.5° |
| C57 | C58 | H88 | 109.5° | 109.5° |
| C57 | C58 | H89 | 109.5° | 109.5° |
| C57 | C58 | H90 | 109.5° | 109.5° |
| C55 | C56 | C57 | 112.5° | 109.5° |
| C56 | C55 | H82 | 109.1° | 109.4° |
| C56 | C55 | H83 | 109.1° | 109.5° |
| C55 | C56 | H84 | 108.7° | 109.4° |
| C55 | C56 | H85 | 108.7° | 109.5° |
| C57 | C56 | H84 | 108.7° | 109.5° |
| C57 | C56 | H85 | 108.7° | 109.4° |
| C56 | C57 | H86 | 108.9° | 109.5° |
| C56 | C57 | H87 | 108.9° | 109.4° |
| C48 | C47 | O61 | 119.9° | 120.0° |
| C48 | C47 | O46 | 120.2° | 120.0° |
| C47 | C48 | H68 | 108.8° | 109.5° |
| C47 | C48 | H69 | 108.8° | 109.4° |
| O61 | C47 | O46 | 119.9° | 120.1° |
| C47 | O46 | C45 | 115.7° | 117.0° |
| O46 | C45 | C12 | 106.5° | 109.5° |
| O46 | C45 | H66 | 110.2° | 109.4° |
| O46 | C45 | H67 | 110.2° | 109.5° |
| C45 | C12 | O13 | 108.5° | 109.5° |
| C45 | C12 | C11 | 112.4° | 109.5° |
| C45 | C12 | H1 | 107.4° | 109.4° |
| C12 | C45 | H66 | 110.2° | 109.5° |
| C12 | C45 | H67 | 110.2° | 109.5° |
| C12 | O13 | C14 | 117.6° | 117.0° |
| O13 | C12 | C11 | 112.1° | 109.5° |
| O13 | C12 | H1 | 109.0° | 109.5° |
| O13 | C14 | C15 | 119.1° | 120.0° |
| O13 | C14 | O44 | 120.6° | 120.0° |
| C12 | C11 | O10 | 110.6° | 109.5° |
| C11 | C12 | H1 | 107.3° | 109.5° |
| C12 | C11 | H2 | 109.2° | 109.5° |
| C12 | C11 | H3 | 109.2° | 109.5° |
| C16 | C17 | C18 | 112.4° | 109.5° |
| C17 | C16 | C15 | 111.8° | 109.5° |
| C17 | C16 | H6 | 108.9° | 109.5° |
| C17 | C16 | H7 | 108.9° | 109.5° |
| C16 | C17 | H8 | 108.7° | 109.5° |
| C16 | C17 | H9 | 108.7° | 109.5° |
| C17 | C18 | C19 | 111.0° | 109.5° |
| C18 | C17 | H8 | 108.7° | 109.5° |
| C18 | C17 | H9 | 108.7° | 109.4° |
| C17 | C18 | H10 | 109.1° | 109.5° |
| C17 | C18 | H11 | 109.1° | 109.4° |
| C15 | C14 | O44 | 120.2° | 120.0° |
| C14 | C15 | C16 | 110.7° | 109.5° |
| C14 | C15 | H4 | 109.2° | 109.4° |
| C14 | C15 | H5 | 109.1° | 109.5° |
| C16 | C15 | H4 | 109.2° | 109.4° |
| C16 | C15 | H5 | 109.2° | 109.5° |
| C15 | C16 | H6 | 108.9° | 109.4° |
| C15 | C16 | H7 | 108.9° | 109.5° |
| C18 | C19 | C20 | 111.2° | 109.5° |
| C19 | C18 | H10 | 109.1° | 109.4° |
| C19 | C18 | H11 | 109.1° | 109.5° |
| C18 | C19 | H12 | 109.1° | 109.4° |
| C18 | C19 | H13 | 109.1° | 109.4° |
| C43 | C42 | C41 | 109.2° | 109.5° |
| C43 | C42 | H61 | 109.5° | 109.5° |
| C43 | C42 | H62 | 109.5° | 109.5° |
| C42 | C43 | H63 | 109.5° | 109.5° |
| C42 | C43 | H64 | 109.4° | 109.5° |
| C42 | C43 | H65 | 109.5° | 109.4° |
| C19 | C20 | C21 | 109.3° | 109.5° |
| C20 | C19 | H12 | 109.0° | 109.5° |
| C20 | C19 | H13 | 109.0° | 109.5° |
| C19 | C20 | H27 | 109.5° | 109.4° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C11 | O10 | P02 | 118.7° | 123.0° |
| O10 | C11 | H2 | 109.2° | 109.4° |
| O10 | C11 | H3 | 109.2° | 109.5° |
| O10 | P02 | O01 | 109.5° | 109.5° |
| O10 | P02 | O62 | 110.7° | 109.5° |
| O10 | P02 | O03 | 109.5° | 109.5° |
| O01 | P02 | O62 | 108.4° | 109.5° |
| O01 | P02 | O03 | 109.3° | 109.5° |
| C42 | C41 | C40 | 121.4° | 120.0° |
| C42 | C41 | H60 | 119.3° | 120.0° |
| C41 | C42 | H61 | 109.6° | 109.4° |
| C41 | C42 | H62 | 109.5° | 109.4° |
| C41 | C40 | C39 | 121.9° | 120.0° |
| C41 | C40 | H59 | 119.0° | 120.0° |
| C40 | C41 | H60 | 119.3° | 120.0° |
| C20 | C21 | C22 | 118.7° | 120.0° |
| C21 | C20 | H27 | 109.5° | 109.5° |
| C21 | C20 | H28 | 109.5° | 109.5° |
| C20 | C21 | H29 | 120.6° | 120.0° |
| C21 | C22 | C23 | 119.1° | 120.0° |
| C22 | C21 | H29 | 120.6° | 120.0° |
| C21 | C22 | H30 | 120.5° | 120.0° |
| O62 | P02 | O03 | 109.3° | 109.4° |
| P02 | O62 | H91 | 109.5° | 114.0° |
| P02 | O03 | C04 | 118.3° | 123.0° |
| C40 | C39 | C38 | 108.1° | 109.5° |
| C40 | C39 | H57 | 109.8° | 109.5° |
| C40 | C39 | H58 | 109.8° | 109.5° |
| C39 | C40 | H59 | 119.0° | 120.0° |
| C04 | C05 | N06 | 109.6° | 109.5° |
| C05 | C04 | O03 | 107.5° | 109.4° |
| C05 | C04 | H14 | 109.9° | 109.5° |
| C05 | C04 | H15 | 110.0° | 109.5° |
| C04 | C05 | H16 | 109.4° | 109.4° |
| C04 | C05 | H17 | 109.5° | 109.5° |
| C05 | N06 | C07 | 109.4° | 109.5° |
| C05 | N06 | C09 | 109.9° | 109.5° |
| C05 | N06 | C08 | 108.8° | 109.5° |
| N06 | C05 | H16 | 109.4° | 109.5° |
| N06 | C05 | H17 | 109.4° | 109.5° |
| O03 | C04 | H14 | 110.0° | 109.5° |
| O03 | C04 | H15 | 109.9° | 109.5° |
| C22 | C23 | C24 | 108.9° | 109.5° |
| C23 | C22 | H30 | 120.5° | 120.0° |
| C22 | C23 | H31 | 109.6° | 109.5° |
| C22 | C23 | H32 | 109.6° | 109.5° |
| C07 | N06 | C09 | 109.3° | 109.5° |
| C07 | N06 | C08 | 109.7° | 109.5° |
| N06 | C07 | H18 | 109.5° | 109.5° |
| N06 | C07 | H19 | 109.5° | 109.5° |
| N06 | C07 | H20 | 109.4° | 109.5° |
| C09 | N06 | C08 | 109.7° | 109.5° |
| N06 | C09 | H24 | 109.5° | 109.5° |
| N06 | C09 | H25 | 109.5° | 109.5° |
| N06 | C09 | H26 | 109.4° | 109.5° |
| N06 | C08 | H21 | 109.5° | 109.5° |
| N06 | C08 | H22 | 109.5° | 109.4° |
| N06 | C08 | H23 | 109.5° | 109.5° |
| C39 | C38 | C37 | 120.9° | 120.0° |
| C39 | C38 | H56 | 119.5° | 120.0° |
| C38 | C39 | H57 | 109.8° | 109.5° |
| C38 | C39 | H58 | 109.8° | 109.5° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C24 | C23 | H31 | 109.6° | 109.5° |
| C24 | C23 | H32 | 109.6° | 109.4° |
| C23 | C24 | H33 | 119.9° | 120.1° |
| C24 | C25 | C26 | 120.9° | 119.9° |
| C25 | C24 | H33 | 119.9° | 119.9° |
| C24 | C25 | H34 | 119.5° | 120.0° |
| C38 | C37 | C36 | 120.7° | 120.0° |
| C38 | C37 | H55 | 119.6° | 120.0° |
| C37 | C38 | H56 | 119.5° | 120.0° |
| C25 | C26 | C27 | 109.2° | 109.4° |
| C26 | C25 | H34 | 119.5° | 120.0° |
| C25 | C26 | H35 | 109.5° | 109.4° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C37 | C36 | C35 | 109.6° | 109.5° |
| C37 | C36 | H53 | 109.4° | 109.5° |
| C37 | C36 | H54 | 109.4° | 109.5° |
| C36 | C37 | H55 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.8° | 120.0° |
| C27 | C26 | H35 | 109.5° | 109.5° |
| C27 | C26 | H36 | 109.5° | 109.5° |
| C26 | C27 | H37 | 119.6° | 120.0° |
| C36 | C35 | C34 | 112.6° | 109.5° |
| C36 | C35 | H51 | 108.7° | 109.5° |
| C36 | C35 | H52 | 108.7° | 109.5° |
| C35 | C36 | H53 | 109.4° | 109.5° |
| C35 | C36 | H54 | 109.4° | 109.4° |
| C27 | C28 | C29 | 120.6° | 120.0° |
| C28 | C27 | H37 | 119.6° | 120.0° |
| C27 | C28 | H38 | 119.7° | 120.0° |
| C35 | C34 | C33 | 112.7° | 109.5° |
| C35 | C34 | H49 | 108.7° | 109.5° |
| C35 | C34 | H50 | 108.6° | 109.4° |
| C34 | C35 | H51 | 108.7° | 109.5° |
| C34 | C35 | H52 | 108.7° | 109.4° |
| C34 | C33 | C32 | 111.8° | 109.5° |
| C34 | C33 | H47 | 108.9° | 109.5° |
| C34 | C33 | H48 | 108.9° | 109.5° |
| C33 | C34 | H49 | 108.6° | 109.5° |
| C33 | C34 | H50 | 108.7° | 109.5° |
| C28 | C29 | C30 | 109.1° | 109.5° |
| C29 | C28 | H38 | 119.7° | 120.0° |
| C28 | C29 | H39 | 109.6° | 109.5° |
| C28 | C29 | H40 | 109.6° | 109.5° |
| C29 | C30 | C31 | 112.4° | 109.5° |
| C30 | C29 | H39 | 109.6° | 109.5° |
| C30 | C29 | H40 | 109.5° | 109.5° |
| C29 | C30 | H41 | 108.7° | 109.5° |
| C29 | C30 | H42 | 108.7° | 109.5° |
| C30 | C31 | C32 | 112.8° | 109.5° |
| C31 | C30 | H41 | 108.7° | 109.5° |
| C31 | C30 | H42 | 108.7° | 109.5° |
| C30 | C31 | H43 | 108.6° | 109.5° |
| C30 | C31 | H44 | 108.6° | 109.5° |
| C33 | C32 | C31 | 112.6° | 109.5° |
| C33 | C32 | H45 | 108.7° | 109.5° |
| C33 | C32 | H46 | 108.7° | 109.5° |
| C32 | C33 | H47 | 108.9° | 109.5° |
| C32 | C33 | H48 | 108.9° | 109.5° |
| C32 | C31 | H43 | 108.6° | 109.4° |
| C32 | C31 | H44 | 108.6° | 109.5° |
| C31 | C32 | H45 | 108.7° | 109.5° |
| C31 | C32 | H46 | 108.7° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H16 | C05 | H17 | 109.5° | 109.4° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H20 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.4° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H23 | 109.4° | 109.5° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H24 | C09 | H25 | 109.4° | 109.4° |
| H24 | C09 | H26 | 109.5° | 109.4° |
| H25 | C09 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| H45 | C32 | H46 | 109.5° | 109.5° |
| H47 | C33 | H48 | 109.5° | 109.5° |
| H49 | C34 | H50 | 109.5° | 109.5° |
| H51 | C35 | H52 | 109.4° | 109.4° |
| H53 | C36 | H54 | 109.5° | 109.4° |
| H57 | C39 | H58 | 109.5° | 109.5° |
| H61 | C42 | H62 | 109.5° | 109.4° |
| H63 | C43 | H64 | 109.5° | 109.5° |
| H63 | C43 | H65 | 109.5° | 109.5° |
| H64 | C43 | H65 | 109.5° | 109.5° |
| H66 | C45 | H67 | 109.5° | 109.5° |
| H68 | C48 | H69 | 109.5° | 109.5° |
| H70 | C49 | H71 | 109.4° | 109.5° |
| H72 | C50 | H73 | 109.5° | 109.4° |
| H74 | C51 | H75 | 109.5° | 109.5° |
| H76 | C52 | H77 | 109.5° | 109.5° |
| H78 | C53 | H79 | 109.5° | 109.5° |
| H80 | C54 | H81 | 109.5° | 109.5° |
| H82 | C55 | H83 | 109.5° | 109.4° |
| H84 | C56 | H85 | 109.5° | 109.5° |
| H86 | C57 | H87 | 109.5° | 109.4° |
| H88 | C58 | H89 | 109.4° | 109.4° |
| H88 | C58 | H90 | 109.5° | 109.5° |
| H89 | C58 | H90 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C52 | C53 | H76 | 120.3° | 120.0° |
| C51 | C52 | C53 | H77 | 120.4° | 120.0° |
| C52 | C51 | C50 | H74 | 120.5° | 120.0° |
| C52 | C51 | C50 | H75 | 120.5° | 120.0° |
| C52 | C51 | C50 | C49 | 157.2° | 180.0° |
| C51 | C52 | C53 | C54 | 140.2° | NaN° |
| C52 | C51 | C50 | H72 | 36.9° | 59.9° |
| C52 | C51 | C50 | H73 | 82.5° | 60.0° |
| C52 | C51 | H74 | H75 | 118.3° | 120.0° |
| C51 | C52 | H76 | H77 | 118.9° | 120.0° |
| C51 | C52 | C53 | H78 | 99.3° | 60.0° |
| C51 | C52 | C53 | H79 | 19.8° | 60.0° |
| C53 | C52 | C51 | C50 | 90.2° | 180.0° |
| C52 | C53 | C54 | H78 | 120.4° | 120.0° |
| C52 | C53 | C54 | H79 | 120.5° | 120.0° |
| C52 | C53 | C54 | C55 | 161.4° | 180.0° |
| C53 | C52 | C51 | H74 | 149.2° | 60.0° |
| C53 | C52 | C51 | H75 | 30.3° | 60.0° |
| C53 | C52 | H76 | H77 | 118.9° | 120.0° |
| C52 | C53 | H78 | H79 | 118.6° | 120.0° |
| C52 | C53 | C54 | H80 | 78.1° | 60.0° |
| C52 | C53 | C54 | H81 | 41.0° | 60.0° |
| C51 | C50 | C49 | H72 | 120.3° | 120.1° |
| C51 | C50 | C49 | H73 | 120.3° | 120.0° |
| C51 | C50 | C49 | C48 | 80.0° | 180.0° |
| C51 | C50 | C49 | H70 | 159.5° | 60.0° |
| C51 | C50 | C49 | H71 | 40.6° | 60.0° |
| C51 | C50 | H72 | H73 | 119.1° | 119.9° |
| C50 | C51 | H74 | H75 | 118.4° | 120.0° |
| C50 | C51 | C52 | H76 | 149.5° | 60.0° |
| C50 | C51 | C52 | H77 | 30.2° | 60.0° |
| C50 | C49 | C48 | H70 | 120.5° | 120.0° |
| C50 | C49 | C48 | H71 | 120.5° | 119.9° |
| C50 | C49 | C48 | C47 | 146.7° | 180.0° |
| C50 | C49 | C48 | H68 | 92.9° | 60.0° |
| C50 | C49 | C48 | H69 | 26.3° | 60.1° |
| C50 | C49 | H70 | H71 | 118.4° | 119.9° |
| C49 | C50 | H72 | H73 | 119.1° | 120.0° |
| C49 | C50 | C51 | H74 | 82.2° | 60.0° |
| C49 | C50 | C51 | H75 | 36.7° | 60.0° |
| C49 | C48 | C47 | H68 | 120.4° | 120.0° |
| C49 | C48 | C47 | H69 | 120.4° | 120.0° |
| C49 | C48 | C47 | O61 | 8.4° | 0.0° |
| C49 | C48 | C47 | O46 | 170.7° | 180.0° |
| C49 | C48 | H68 | H69 | 118.8° | 120.0° |
| C48 | C49 | H70 | H71 | 118.4° | 120.0° |
| C48 | C49 | C50 | H72 | 40.3° | 59.9° |
| C48 | C49 | C50 | H73 | 159.7° | 60.0° |
| C53 | C54 | C55 | H80 | 120.4° | 119.9° |
| C53 | C54 | C55 | H81 | 120.4° | 120.1° |
| C53 | C54 | C55 | C56 | 150.8° | 180.0° |
| C54 | C53 | C52 | H76 | 19.9° | 60.0° |
| C54 | C53 | C52 | H77 | 99.4° | 60.0° |
| C54 | C53 | H78 | H79 | 118.6° | 120.0° |
| C53 | C54 | H80 | H81 | 118.7° | 120.0° |
| C53 | C54 | C55 | H82 | 30.6° | 60.0° |
| C53 | C54 | C55 | H83 | 89.1° | 59.9° |
| C54 | C55 | C56 | H82 | 120.2° | 120.0° |
| C54 | C55 | C56 | H83 | 120.2° | 120.1° |
| C54 | C55 | C56 | C57 | 134.2° | 180.0° |
| C55 | C54 | C53 | H78 | 41.0° | 60.1° |
| C55 | C54 | C53 | H79 | 78.1° | 60.0° |
| C55 | C54 | H80 | H81 | 118.7° | 120.0° |
| C54 | C55 | H82 | H83 | 119.4° | 120.0° |
| C54 | C55 | C56 | H84 | 105.3° | 60.0° |
| C54 | C55 | C56 | H85 | 13.8° | 60.0° |
| C58 | C57 | C56 | C55 | 137.1° | 180.0° |
| C58 | C57 | C56 | H86 | 120.3° | 120.0° |
| C58 | C57 | C56 | H87 | 120.3° | 120.0° |
| C58 | C57 | C56 | H84 | 102.4° | 60.0° |
| C58 | C57 | C56 | H85 | 16.7° | 60.0° |
| C58 | C57 | H86 | H87 | 118.9° | 120.0° |
| C57 | C58 | H88 | H89 | 120.0° | 120.0° |
| C57 | C58 | H88 | H90 | 120.0° | 120.0° |
| C57 | C58 | H89 | H90 | 120.0° | 120.0° |
| C55 | C56 | C57 | H84 | 120.5° | 120.0° |
| C55 | C56 | C57 | H85 | 120.4° | 120.0° |
| C56 | C55 | C54 | H80 | 88.8° | 60.1° |
| C56 | C55 | C54 | H81 | 30.3° | 60.0° |
| C56 | C55 | H82 | H83 | 119.4° | 120.0° |
| C55 | C56 | H84 | H85 | 118.6° | 120.0° |
| C55 | C56 | C57 | H86 | 102.6° | 60.0° |
| C55 | C56 | C57 | H87 | 16.8° | 60.0° |
| C57 | C56 | C55 | H82 | 14.1° | 60.0° |
| C57 | C56 | C55 | H83 | 105.6° | 60.0° |
| C57 | C56 | H84 | H85 | 118.6° | 120.0° |
| C56 | C57 | H86 | H87 | 118.9° | 120.0° |
| C56 | C57 | C58 | H88 | 180.0° | 180.0° |
| C56 | C57 | C58 | H89 | 60.0° | 60.0° |
| C56 | C57 | C58 | H90 | 60.0° | 60.0° |
| C48 | C47 | O61 | O46 | 179.1° | 180.0° |
| C48 | C47 | O46 | C45 | 94.8° | 180.0° |
| C47 | C48 | H68 | H69 | 118.8° | 120.0° |
| C47 | C48 | C49 | H70 | 26.2° | 60.0° |
| C47 | C48 | C49 | H71 | 92.8° | 60.1° |
| O61 | C47 | O46 | C45 | 86.0° | 0.0° |
| O61 | C47 | C48 | H68 | 128.8° | 120.0° |
| O61 | C47 | C48 | H69 | 112.0° | 120.0° |
| C47 | O46 | C45 | C12 | 121.1° | 180.0° |
| C47 | O46 | C45 | H66 | 1.6° | 60.0° |
| C47 | O46 | C45 | H67 | 119.4° | 60.0° |
| O46 | C47 | C48 | H68 | 50.3° | 60.0° |
| O46 | C47 | C48 | H69 | 68.9° | 60.0° |
| O46 | C45 | C12 | H66 | 119.6° | 120.0° |
| O46 | C45 | C12 | H67 | 119.5° | 120.0° |
| O46 | C45 | C12 | O13 | 98.1° | 65.0° |
| O46 | C45 | C12 | C11 | 137.3° | 55.0° |
| O46 | C45 | C12 | H1 | 19.6° | 175.0° |
| O46 | C45 | H66 | H67 | 121.4° | 120.0° |
| C45 | C12 | O13 | C11 | 124.8° | 120.0° |
| C45 | C12 | O13 | H1 | 116.6° | 119.9° |
| C45 | C12 | O13 | C14 | 124.3° | 150.0° |
| C45 | C12 | C11 | H1 | 117.8° | 119.9° |
| C45 | C12 | C11 | O10 | 13.2° | 55.0° |
| C45 | C12 | C11 | H2 | 133.4° | 65.0° |
| C45 | C12 | C11 | H3 | 107.0° | 175.1° |
| C12 | C45 | H66 | H67 | 121.4° | 120.0° |
| O13 | C12 | C11 | H1 | 119.6° | 120.0° |
| C12 | O13 | C14 | C15 | 119.3° | 180.0° |
| C12 | O13 | C14 | O44 | 61.8° | 0.3° |
| O13 | C12 | C11 | O10 | 135.7° | 65.0° |
| O13 | C12 | C11 | H2 | 104.1° | 175.0° |
| O13 | C12 | C11 | H3 | 15.5° | 55.0° |
| O13 | C12 | C45 | H66 | 21.4° | 55.0° |
| O13 | C12 | C45 | H67 | 142.4° | 175.0° |
| C14 | O13 | C12 | C11 | 0.5° | 90.0° |
| O13 | C14 | C15 | O44 | 178.9° | 179.7° |
| O13 | C14 | C15 | C16 | 24.5° | 179.7° |
| C14 | O13 | C12 | H1 | 119.1° | 30.0° |
| O13 | C14 | C15 | H4 | 95.7° | 59.7° |
| O13 | C14 | C15 | H5 | 144.7° | 60.2° |
| C12 | C11 | O10 | H2 | 120.2° | 120.0° |
| C12 | C11 | O10 | H3 | 120.2° | 120.0° |
| C12 | C11 | O10 | P02 | 142.8° | 180.0° |
| C12 | C11 | H2 | H3 | 119.5° | 120.0° |
| C11 | C12 | C45 | H66 | 103.1° | 175.0° |
| C11 | C12 | C45 | H67 | 17.8° | 65.0° |
| C16 | C17 | C18 | H8 | 120.4° | 120.1° |
| C16 | C17 | C18 | H9 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 159.6° | 180.0° |
| C17 | C16 | C15 | H6 | 120.3° | 120.0° |
| C17 | C16 | C15 | H7 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 165.5° | 180.0° |
| C17 | C16 | C15 | H4 | 39.4° | 60.0° |
| C17 | C16 | C15 | H5 | 80.2° | 59.9° |
| C17 | C16 | H6 | H7 | 118.9° | 120.0° |
| C16 | C17 | H8 | H9 | 118.7° | 120.0° |
| C16 | C17 | C18 | H10 | 45.3° | 60.0° |
| C16 | C17 | C18 | H11 | 74.2° | 60.0° |
| C18 | C17 | C16 | C15 | 148.6° | 180.0° |
| C17 | C18 | C19 | H10 | 120.2° | 120.1° |
| C17 | C18 | C19 | H11 | 120.3° | 120.0° |
| C17 | C18 | C19 | C20 | 109.1° | 180.0° |
| C18 | C17 | C16 | H6 | 91.1° | 59.9° |
| C18 | C17 | C16 | H7 | 28.3° | 60.0° |
| C18 | C17 | H8 | H9 | 118.6° | 120.0° |
| C17 | C18 | H10 | H11 | 119.3° | 120.0° |
| C17 | C18 | C19 | H12 | 130.6° | 59.9° |
| C17 | C18 | C19 | H13 | 11.1° | 60.0° |
| C14 | C15 | C16 | H4 | 120.2° | 119.9° |
| C14 | C15 | C16 | H5 | 120.2° | 120.1° |
| C14 | C15 | H4 | H5 | 119.4° | 120.0° |
| C14 | C15 | C16 | H6 | 39.3° | 60.0° |
| C14 | C15 | C16 | H7 | 80.0° | 60.0° |
| O44 | C14 | C15 | C16 | 156.6° | 0.0° |
| O44 | C14 | C15 | H4 | 83.2° | 120.0° |
| O44 | C14 | C15 | H5 | 36.4° | 120.1° |
| C16 | C15 | H4 | H5 | 119.5° | 120.0° |
| C15 | C16 | H6 | H7 | 119.0° | 120.0° |
| C15 | C16 | C17 | H8 | 91.0° | 60.0° |
| C15 | C16 | C17 | H9 | 28.2° | 60.0° |
| C18 | C19 | C20 | H12 | 120.3° | 120.0° |
| C18 | C19 | C20 | H13 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 124.3° | 180.0° |
| C19 | C18 | C17 | H8 | 74.1° | 60.0° |
| C19 | C18 | C17 | H9 | 45.1° | 60.0° |
| C19 | C18 | H10 | H11 | 119.3° | 120.0° |
| C18 | C19 | H12 | H13 | 119.2° | 119.9° |
| C18 | C19 | C20 | H27 | 4.3° | 60.0° |
| C18 | C19 | C20 | H28 | 115.8° | 60.0° |
| C43 | C42 | C41 | H61 | 119.9° | 120.0° |
| C43 | C42 | C41 | H62 | 119.9° | 120.1° |
| C43 | C42 | C41 | C40 | 157.0° | 126.3° |
| C43 | C42 | C41 | H60 | 23.0° | 53.7° |
| C43 | C42 | H61 | H62 | 120.1° | 120.1° |
| C42 | C43 | H63 | H64 | 120.0° | 120.0° |
| C42 | C43 | H63 | H65 | 120.0° | 120.0° |
| C42 | C43 | H64 | H65 | 120.0° | 120.0° |
| C19 | C20 | C21 | H27 | 120.0° | 119.9° |
| C19 | C20 | C21 | H28 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 168.1° | 128.3° |
| C20 | C19 | C18 | H10 | 11.1° | 60.0° |
| C20 | C19 | C18 | H11 | 130.6° | 60.0° |
| C20 | C19 | H12 | H13 | 119.2° | 120.0° |
| C19 | C20 | H27 | H28 | 120.1° | 120.0° |
| C19 | C20 | C21 | H29 | 11.9° | 51.7° |
| C11 | O10 | P02 | O01 | 112.2° | 55.0° |
| C11 | O10 | P02 | O62 | 7.3° | 65.0° |
| C11 | O10 | P02 | O03 | 127.8° | 175.0° |
| O10 | C11 | C12 | H1 | 104.6° | 175.0° |
| O10 | C11 | H2 | H3 | 119.5° | 120.0° |
| O10 | P02 | O01 | O62 | 120.9° | 120.0° |
| O10 | P02 | O01 | O03 | 120.0° | 120.0° |
| O10 | P02 | O62 | O03 | 120.7° | 120.0° |
| O10 | P02 | O03 | C04 | 42.2° | 175.0° |
| P02 | O10 | C11 | H2 | 97.0° | 60.0° |
| P02 | O10 | C11 | H3 | 22.6° | 59.9° |
| O10 | P02 | O62 | H91 | 120.2° | 60.0° |
| O01 | P02 | O62 | O03 | 119.1° | 120.0° |
| O01 | P02 | O03 | C04 | 77.8° | 55.0° |
| O01 | P02 | O62 | H91 | 0.0° | 180.0° |
| C42 | C41 | C40 | H60 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.1° | 7.9° |
| C42 | C41 | C40 | H59 | 179.9° | 172.0° |
| C41 | C42 | H61 | H62 | 120.1° | 119.9° |
| C41 | C42 | C43 | H63 | 180.0° | 60.0° |
| C41 | C42 | C43 | H64 | 60.0° | 180.0° |
| C41 | C42 | C43 | H65 | 60.0° | 60.0° |
| C41 | C40 | C39 | H59 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 167.7° | 128.3° |
| C41 | C40 | C39 | H57 | 47.9° | 8.3° |
| C41 | C40 | C39 | H58 | 72.6° | 111.7° |
| C40 | C41 | C42 | H61 | 37.1° | 113.7° |
| C40 | C41 | C42 | H62 | 83.1° | 6.2° |
| C20 | C21 | C22 | H29 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 8.0° |
| C21 | C20 | C19 | H12 | 115.4° | 60.0° |
| C21 | C20 | C19 | H13 | 4.0° | 60.0° |
| C21 | C20 | H27 | H28 | 120.1° | 120.1° |
| C20 | C21 | C22 | H30 | 179.9° | 172.1° |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 145.4° | 126.2° |
| C22 | C21 | C20 | H27 | 71.9° | 8.4° |
| C22 | C21 | C20 | H28 | 48.1° | 111.7° |
| C21 | C22 | C23 | H31 | 94.7° | 113.7° |
| C21 | C22 | C23 | H32 | 25.5° | 6.2° |
| O62 | P02 | O03 | C04 | 163.6° | 65.0° |
| P02 | O03 | C04 | C05 | 97.6° | 180.0° |
| P02 | O03 | C04 | H14 | 142.8° | 60.0° |
| P02 | O03 | C04 | H15 | 22.2° | 60.0° |
| O03 | P02 | O62 | H91 | 119.1° | 60.0° |
| C40 | C39 | C38 | H57 | 119.8° | 120.0° |
| C40 | C39 | C38 | H58 | 119.8° | 120.0° |
| C40 | C39 | C38 | C37 | 155.6° | 117.1° |
| C40 | C39 | C38 | H56 | 24.4° | 62.8° |
| C40 | C39 | H57 | H58 | 120.7° | 120.0° |
| C39 | C40 | C41 | H60 | 179.9° | 172.1° |
| C04 | C05 | N06 | H16 | 120.0° | 120.0° |
| C04 | C05 | N06 | H17 | 120.0° | 120.1° |
| C05 | C04 | O03 | H14 | 119.7° | 120.0° |
| C05 | C04 | O03 | H15 | 119.7° | 120.0° |
| C04 | C05 | N06 | C07 | 164.4° | 62.2° |
| C04 | C05 | N06 | C09 | 44.4° | 57.8° |
| C04 | C05 | N06 | C08 | 75.8° | 177.8° |
| C05 | C04 | H14 | H15 | 120.9° | 120.0° |
| C04 | C05 | H16 | H17 | 120.0° | 120.0° |
| N06 | C05 | C04 | O03 | 108.5° | 70.2° |
| C05 | N06 | C07 | C09 | 120.4° | 120.0° |
| C05 | N06 | C07 | C08 | 119.3° | 120.0° |
| C05 | N06 | C09 | C08 | 119.6° | 120.0° |
| N06 | C05 | C04 | H14 | 11.2° | 169.8° |
| N06 | C05 | C04 | H15 | 131.8° | 49.8° |
| N06 | C05 | H16 | H17 | 119.9° | 120.0° |
| C05 | N06 | C07 | H18 | 180.0° | 60.0° |
| C05 | N06 | C07 | H19 | 60.0° | 180.0° |
| C05 | N06 | C07 | H20 | 60.0° | 60.0° |
| C05 | N06 | C08 | H21 | 180.0° | 60.0° |
| C05 | N06 | C08 | H22 | 60.0° | 180.0° |
| C05 | N06 | C08 | H23 | 60.0° | 60.0° |
| C05 | N06 | C09 | H24 | 180.0° | 69.3° |
| C05 | N06 | C09 | H25 | 60.0° | 170.7° |
| C05 | N06 | C09 | H26 | 60.0° | 50.7° |
| O03 | C04 | H14 | H15 | 120.9° | 120.0° |
| O03 | C04 | C05 | H16 | 11.5° | 169.8° |
| O03 | C04 | C05 | H17 | 131.5° | 49.9° |
| C22 | C23 | C24 | H31 | 119.9° | 120.0° |
| C22 | C23 | C24 | H32 | 119.9° | 120.0° |
| C22 | C23 | C24 | C25 | 153.9° | 126.7° |
| C23 | C22 | C21 | H29 | 179.9° | 172.0° |
| C22 | C23 | H31 | H32 | 120.3° | 120.0° |
| C22 | C23 | C24 | H33 | 26.0° | 53.2° |
| C07 | N06 | C09 | C08 | 120.3° | 120.0° |
| C07 | N06 | C05 | H16 | 75.6° | 57.8° |
| C07 | N06 | C05 | H17 | 44.4° | 177.8° |
| N06 | C07 | H18 | H19 | 120.0° | 120.0° |
| N06 | C07 | H18 | H20 | 120.0° | 120.1° |
| N06 | C07 | H19 | H20 | 120.0° | 120.0° |
| C07 | N06 | C08 | H21 | 60.4° | 180.0° |
| C07 | N06 | C08 | H22 | 179.6° | 60.0° |
| C07 | N06 | C08 | H23 | 59.6° | 60.0° |
| C07 | N06 | C09 | H24 | 59.9° | 50.7° |
| C07 | N06 | C09 | H25 | 60.0° | 69.3° |
| C07 | N06 | C09 | H26 | 180.0° | 170.7° |
| C09 | N06 | C05 | H16 | 164.4° | 177.8° |
| C09 | N06 | C05 | H17 | 75.6° | 62.3° |
| C09 | N06 | C07 | H18 | 59.6° | 180.0° |
| C09 | N06 | C07 | H19 | 179.7° | 60.0° |
| C09 | N06 | C07 | H20 | 60.4° | 60.0° |
| C09 | N06 | C08 | H21 | 59.8° | 60.0° |
| C09 | N06 | C08 | H22 | 60.3° | 60.0° |
| C09 | N06 | C08 | H23 | 179.8° | 180.0° |
| N06 | C09 | H24 | H25 | 120.0° | 120.0° |
| N06 | C09 | H24 | H26 | 120.0° | 120.0° |
| N06 | C09 | H25 | H26 | 120.0° | 120.0° |
| C08 | N06 | C05 | H16 | 44.2° | 62.2° |
| C08 | N06 | C05 | H17 | 164.2° | 57.8° |
| C08 | N06 | C07 | H18 | 60.7° | 60.0° |
| C08 | N06 | C07 | H19 | 59.3° | 60.0° |
| C08 | N06 | C07 | H20 | 179.3° | 180.0° |
| N06 | C08 | H21 | H22 | 120.0° | 120.0° |
| N06 | C08 | H21 | H23 | 120.0° | 120.0° |
| N06 | C08 | H22 | H23 | 120.0° | 120.0° |
| C08 | N06 | C09 | H24 | 60.4° | 170.7° |
| C08 | N06 | C09 | H25 | 179.6° | 50.7° |
| C08 | N06 | C09 | H26 | 59.6° | 69.3° |
| C39 | C38 | C37 | H56 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.6° | 7.6° |
| C39 | C38 | C37 | H55 | 179.3° | 172.4° |
| C38 | C39 | H57 | H58 | 120.6° | 120.0° |
| C38 | C39 | C40 | H59 | 12.3° | 51.7° |
| C23 | C24 | C25 | H33 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.2° | 8.5° |
| C24 | C23 | C22 | H30 | 34.6° | 53.7° |
| C24 | C23 | H31 | H32 | 120.3° | 120.0° |
| C23 | C24 | C25 | H34 | 179.8° | 171.5° |
| C24 | C25 | C26 | H34 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 137.5° | 126.7° |
| C25 | C24 | C23 | H31 | 34.1° | 6.7° |
| C25 | C24 | C23 | H32 | 86.1° | 113.3° |
| C24 | C25 | C26 | H35 | 17.5° | 113.3° |
| C24 | C25 | C26 | H36 | 102.5° | 6.7° |
| C38 | C37 | C36 | H55 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 167.3° | 116.0° |
| C38 | C37 | C36 | H53 | 72.6° | 4.2° |
| C38 | C37 | C36 | H54 | 47.3° | 124.1° |
| C37 | C38 | C39 | H57 | 84.6° | 122.9° |
| C37 | C38 | C39 | H58 | 35.8° | 2.9° |
| C25 | C26 | C27 | H35 | 120.0° | 119.9° |
| C25 | C26 | C27 | H36 | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 148.6° | 126.3° |
| C26 | C25 | C24 | H33 | 179.8° | 171.6° |
| C25 | C26 | H35 | H36 | 120.1° | 120.0° |
| C25 | C26 | C27 | H37 | 31.4° | 53.7° |
| C37 | C36 | C35 | H53 | 120.0° | 120.1° |
| C37 | C36 | C35 | H54 | 120.0° | 120.0° |
| C37 | C36 | C35 | C34 | 177.2° | 180.0° |
| C37 | C36 | C35 | H51 | 56.7° | 60.0° |
| C37 | C36 | C35 | H52 | 62.3° | 60.0° |
| C37 | C36 | H53 | H54 | 119.9° | 120.0° |
| C36 | C37 | C38 | H56 | 179.3° | 172.4° |
| C26 | C27 | C28 | H37 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 7.9° |
| C27 | C26 | C25 | H34 | 42.5° | 53.3° |
| C27 | C26 | H35 | H36 | 120.1° | 120.1° |
| C26 | C27 | C28 | H38 | 179.5° | 172.0° |
| C36 | C35 | C34 | H51 | 120.5° | 120.1° |
| C36 | C35 | C34 | H52 | 120.5° | 120.0° |
| C36 | C35 | C34 | C33 | 149.3° | 180.0° |
| C36 | C35 | C34 | H49 | 28.8° | 60.0° |
| C36 | C35 | C34 | H50 | 90.3° | 60.0° |
| C36 | C35 | H51 | H52 | 118.6° | 120.0° |
| C35 | C36 | H53 | H54 | 119.9° | 120.0° |
| C35 | C36 | C37 | H55 | 12.7° | 64.0° |
| C27 | C28 | C29 | H38 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 143.8° | 128.4° |
| C28 | C27 | C26 | H35 | 91.4° | 6.3° |
| C28 | C27 | C26 | H36 | 28.7° | 113.7° |
| C27 | C28 | C29 | H39 | 96.2° | 111.6° |
| C27 | C28 | C29 | H40 | 23.9° | 8.4° |
| C35 | C34 | C33 | H49 | 120.5° | 120.0° |
| C35 | C34 | C33 | H50 | 120.5° | 120.0° |
| C35 | C34 | C33 | C32 | 81.4° | 180.0° |
| C35 | C34 | C33 | H47 | 158.3° | 60.0° |
| C35 | C34 | C33 | H48 | 39.0° | 60.0° |
| C35 | C34 | H49 | H50 | 118.5° | 119.9° |
| C34 | C35 | H51 | H52 | 118.6° | 119.9° |
| C34 | C35 | C36 | H53 | 62.8° | 59.9° |
| C34 | C35 | C36 | H54 | 57.2° | 60.0° |
| C34 | C33 | C32 | H47 | 120.4° | 120.0° |
| C34 | C33 | C32 | H48 | 120.3° | 120.0° |
| C34 | C33 | C32 | C31 | 82.3° | 180.0° |
| C34 | C33 | C32 | H45 | 157.3° | 60.0° |
| C34 | C33 | C32 | H46 | 38.2° | 60.0° |
| C34 | C33 | H47 | H48 | 118.9° | 120.0° |
| C33 | C34 | H49 | H50 | 118.5° | 120.0° |
| C33 | C34 | C35 | H51 | 90.3° | 60.0° |
| C33 | C34 | C35 | H52 | 28.8° | 60.0° |
| C28 | C29 | C30 | H39 | 119.9° | 120.0° |
| C28 | C29 | C30 | H40 | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 130.7° | 180.0° |
| C29 | C28 | C27 | H37 | 179.5° | 172.1° |
| C28 | C29 | H39 | H40 | 120.2° | 120.0° |
| C28 | C29 | C30 | H41 | 108.8° | 60.0° |
| C28 | C29 | C30 | H42 | 10.3° | 60.0° |
| C29 | C30 | C31 | H41 | 120.4° | 120.0° |
| C29 | C30 | C31 | H42 | 120.5° | 120.0° |
| C29 | C30 | C31 | C32 | 128.8° | 180.0° |
| C30 | C29 | C28 | H38 | 36.2° | 51.7° |
| C30 | C29 | H39 | H40 | 120.1° | 120.0° |
| C29 | C30 | H41 | H42 | 118.6° | 120.0° |
| C29 | C30 | C31 | H43 | 110.7° | 60.0° |
| C29 | C30 | C31 | H44 | 8.3° | 60.0° |
| C30 | C31 | C32 | C33 | 148.0° | NaN° |
| C30 | C31 | C32 | H43 | 120.5° | 120.0° |
| C30 | C31 | C32 | H44 | 120.5° | 120.0° |
| C31 | C30 | C29 | H39 | 10.8° | 60.0° |
| C31 | C30 | C29 | H40 | 109.3° | 60.0° |
| C31 | C30 | H41 | H42 | 118.7° | 120.0° |
| C30 | C31 | H43 | H44 | 118.5° | 120.1° |
| C30 | C31 | C32 | H45 | 91.6° | 60.0° |
| C30 | C31 | C32 | H46 | 27.5° | 60.0° |
| C33 | C32 | C31 | H45 | 120.4° | 120.0° |
| C33 | C32 | C31 | H46 | 120.5° | 120.0° |
| C33 | C32 | C31 | H43 | 91.5° | 60.0° |
| C33 | C32 | C31 | H44 | 27.5° | 60.0° |
| C33 | C32 | H45 | H46 | 118.5° | 120.0° |
| C32 | C33 | H47 | H48 | 119.0° | 120.0° |
| C32 | C33 | C34 | H49 | 39.1° | 60.0° |
| C32 | C33 | C34 | H50 | 158.2° | 60.0° |
| C32 | C31 | C30 | H41 | 8.4° | 60.0° |
| C32 | C31 | C30 | H42 | 110.7° | 60.0° |
| C32 | C31 | H43 | H44 | 118.4° | 120.0° |
| C31 | C32 | H45 | H46 | 118.6° | 120.0° |
| C31 | C32 | C33 | H47 | 38.1° | 60.0° |
| C31 | C32 | C33 | H48 | 157.4° | 60.0° |
| H1 | C12 | C11 | H2 | 15.5° | 55.0° |
| H1 | C12 | C11 | H3 | 135.2° | 65.0° |
| H1 | C12 | C45 | H66 | 139.1° | 65.0° |
| H1 | C12 | C45 | H67 | 100.0° | 55.0° |
| H4 | C15 | C16 | H6 | 80.9° | 179.9° |
| H4 | C15 | C16 | H7 | 159.8° | 60.0° |
| H5 | C15 | C16 | H6 | 159.5° | 60.1° |
| H5 | C15 | C16 | H7 | 40.1° | 179.9° |
| H6 | C16 | C17 | H8 | 29.4° | 180.0° |
| H6 | C16 | C17 | H9 | 148.5° | 60.0° |
| H7 | C16 | C17 | H8 | 148.7° | 60.0° |
| H7 | C16 | C17 | H9 | 92.1° | 180.0° |
| H8 | C17 | C18 | H10 | 165.7° | 180.0° |
| H8 | C17 | C18 | H11 | 46.2° | 60.0° |
| H9 | C17 | C18 | H10 | 75.1° | 60.0° |
| H9 | C17 | C18 | H11 | 165.3° | 180.0° |
| H10 | C18 | C19 | H12 | 109.2° | 180.0° |
| H10 | C18 | C19 | H13 | 131.4° | 60.1° |
| H11 | C18 | C19 | H12 | 10.4° | 60.0° |
| H11 | C18 | C19 | H13 | 109.1° | 180.0° |
| H12 | C19 | C20 | H27 | 124.6° | 180.0° |
| H12 | C19 | C20 | H28 | 4.5° | 60.0° |
| H13 | C19 | C20 | H27 | 116.0° | 60.0° |
| H13 | C19 | C20 | H28 | 124.0° | 180.0° |
| H14 | C04 | C05 | H16 | 131.2° | 49.8° |
| H14 | C04 | C05 | H17 | 108.8° | 70.2° |
| H15 | C04 | C05 | H16 | 108.2° | 70.2° |
| H15 | C04 | C05 | H17 | 11.8° | 169.8° |
| H18 | C07 | H19 | H20 | 120.0° | 120.0° |
| H21 | C08 | H22 | H23 | 119.9° | 120.0° |
| H24 | C09 | H25 | H26 | 120.0° | 119.9° |
| H27 | C20 | C21 | H29 | 108.1° | 171.7° |
| H28 | C20 | C21 | H29 | 131.9° | 68.3° |
| H29 | C21 | C22 | H30 | 0.1° | 7.9° |
| H30 | C22 | C23 | H31 | 85.3° | 66.3° |
| H30 | C22 | C23 | H32 | 154.5° | 173.7° |
| H31 | C23 | C24 | H33 | 145.9° | 173.3° |
| H32 | C23 | C24 | H33 | 93.9° | 66.8° |
| H33 | C24 | C25 | H34 | 0.2° | 8.4° |
| H34 | C25 | C26 | H35 | 162.5° | 66.7° |
| H34 | C25 | C26 | H36 | 77.5° | 173.3° |
| H35 | C26 | C27 | H37 | 88.6° | 173.7° |
| H36 | C26 | C27 | H37 | 151.3° | 66.3° |
| H37 | C27 | C28 | H38 | 0.5° | 8.0° |
| H38 | C28 | C29 | H39 | 83.8° | 68.3° |
| H38 | C28 | C29 | H40 | 156.1° | 171.7° |
| H39 | C29 | C30 | H41 | 131.2° | 180.0° |
| H39 | C29 | C30 | H42 | 109.7° | 60.0° |
| H40 | C29 | C30 | H41 | 11.1° | 60.0° |
| H40 | C29 | C30 | H42 | 130.2° | NaN° |
| H41 | C30 | C31 | H43 | 128.9° | 180.0° |
| H41 | C30 | C31 | H44 | 112.1° | 60.0° |
| H42 | C30 | C31 | H43 | 9.8° | 60.0° |
| H42 | C30 | C31 | H44 | 128.8° | 180.0° |
| H43 | C31 | C32 | H45 | 28.9° | 180.0° |
| H43 | C31 | C32 | H46 | 148.0° | 60.0° |
| H44 | C31 | C32 | H45 | 147.9° | 60.0° |
| H44 | C31 | C32 | H46 | 93.0° | 180.0° |
| H45 | C32 | C33 | H47 | 82.4° | NaN° |
| H45 | C32 | C33 | H48 | 36.9° | 60.0° |
| H46 | C32 | C33 | H47 | 158.6° | 60.0° |
| H46 | C32 | C33 | H48 | 82.1° | NaN° |
| H47 | C33 | C34 | H49 | 81.2° | NaN° |
| H47 | C33 | C34 | H50 | 37.8° | 60.0° |
| H48 | C33 | C34 | H49 | 159.5° | 60.0° |
| H48 | C33 | C34 | H50 | 81.5° | 180.0° |
| H49 | C34 | C35 | H51 | 149.3° | 180.0° |
| H49 | C34 | C35 | H52 | 91.7° | 60.0° |
| H50 | C34 | C35 | H51 | 30.2° | 60.1° |
| H50 | C34 | C35 | H52 | 149.3° | 180.0° |
| H51 | C35 | C36 | H53 | 176.7° | 180.0° |
| H51 | C35 | C36 | H54 | 63.3° | 60.0° |
| H52 | C35 | C36 | H53 | 57.7° | 60.0° |
| H52 | C35 | C36 | H54 | 177.7° | 179.9° |
| H53 | C36 | C37 | H55 | 107.3° | 175.9° |
| H54 | C36 | C37 | H55 | 132.7° | 56.0° |
| H55 | C37 | C38 | H56 | 0.7° | 7.7° |
| H56 | C38 | C39 | H57 | 95.4° | 57.2° |
| H56 | C38 | C39 | H58 | 144.2° | 177.2° |
| H57 | C39 | C40 | H59 | 132.1° | 171.7° |
| H58 | C39 | C40 | H59 | 107.4° | 68.3° |
| H59 | C40 | C41 | H60 | 0.1° | 7.9° |
| H60 | C41 | C42 | H61 | 142.9° | 66.4° |
| H60 | C41 | C42 | H62 | 96.9° | 173.7° |
| H61 | C42 | C43 | H63 | 60.0° | 60.0° |
| H61 | C42 | C43 | H64 | 60.0° | 60.0° |
| H61 | C42 | C43 | H65 | 180.0° | 180.0° |
| H62 | C42 | C43 | H63 | 60.1° | 180.0° |
| H62 | C42 | C43 | H64 | 179.9° | 60.0° |
| H62 | C42 | C43 | H65 | 59.9° | 60.0° |
| H63 | C43 | H64 | H65 | 120.0° | 120.0° |
| H68 | C48 | C49 | H70 | 146.5° | 180.0° |
| H68 | C48 | C49 | H71 | 27.6° | 59.9° |
| H69 | C48 | C49 | H70 | 94.3° | 59.9° |
| H69 | C48 | C49 | H71 | 146.8° | NaN° |
| H70 | C49 | C50 | H72 | 80.2° | 180.0° |
| H70 | C49 | C50 | H73 | 39.2° | 60.0° |
| H71 | C49 | C50 | H72 | 160.9° | 60.0° |
| H71 | C49 | C50 | H73 | 79.7° | 180.0° |
| H72 | C50 | C51 | H74 | 157.5° | 179.9° |
| H72 | C50 | C51 | H75 | 83.6° | 60.1° |
| H73 | C50 | C51 | H74 | 38.1° | 60.0° |
| H73 | C50 | C51 | H75 | 157.0° | 180.0° |
| H74 | C51 | C52 | H76 | 28.9° | 180.0° |
| H74 | C51 | C52 | H77 | 90.4° | 60.0° |
| H75 | C51 | C52 | H76 | 90.0° | 60.0° |
| H75 | C51 | C52 | H77 | 150.7° | 180.0° |
| H76 | C52 | C53 | H78 | 140.3° | NaN° |
| H76 | C52 | C53 | H79 | 100.5° | 60.0° |
| H77 | C52 | C53 | H78 | 21.0° | 60.0° |
| H77 | C52 | C53 | H79 | 140.2° | 180.0° |
| H78 | C53 | C54 | H80 | 161.4° | 180.0° |
| H78 | C53 | C54 | H81 | 79.4° | 60.0° |
| H79 | C53 | C54 | H80 | 42.3° | 60.0° |
| H79 | C53 | C54 | H81 | 161.5° | 180.0° |
| H80 | C54 | C55 | H82 | 151.0° | 180.0° |
| H80 | C54 | C55 | H83 | 31.4° | 60.0° |
| H81 | C54 | C55 | H82 | 89.9° | 60.0° |
| H81 | C54 | C55 | H83 | 150.5° | 180.0° |
| H82 | C55 | C56 | H84 | 134.5° | 180.0° |
| H82 | C55 | C56 | H85 | 106.4° | 60.0° |
| H83 | C55 | C56 | H84 | 14.9° | 60.1° |
| H83 | C55 | C56 | H85 | 134.0° | 180.0° |
| H84 | C56 | C57 | H86 | 17.9° | 180.0° |
| H84 | C56 | C57 | H87 | 137.2° | 60.0° |
| H85 | C56 | C57 | H86 | 137.0° | 60.1° |
| H85 | C56 | C57 | H87 | 103.7° | 180.0° |
| H86 | C57 | C58 | H88 | 59.7° | 60.0° |
| H86 | C57 | C58 | H89 | 60.3° | 179.9° |
| H86 | C57 | C58 | H90 | 179.7° | 60.0° |
| H87 | C57 | C58 | H88 | 59.7° | 60.0° |
| H87 | C57 | C58 | H89 | 179.7° | 60.0° |
| H87 | C57 | C58 | H90 | 60.3° | 180.0° |
| H88 | C58 | H89 | H90 | 120.0° | 120.0° |
