U3D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | N33 | sing | 1.47Å | 1.48Å | |
| O29 | P27 | doub | 1.55Å | 1.52Å | |
| N33 | C35 | sing | 1.47Å | 1.49Å | |
| N33 | C34 | sing | 1.47Å | 1.47Å | |
| N33 | C32 | sing | 1.47Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.57Å | |
| P27 | O28 | sing | 1.54Å | 1.51Å | |
| P27 | O30 | sing | 1.61Å | 1.67Å | |
| P27 | O26 | sing | 1.61Å | 1.67Å | |
| C31 | O30 | sing | 1.43Å | 1.43Å | |
| O26 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | O37 | sing | 1.45Å | 1.40Å | |
| C23 | O22 | sing | 1.45Å | 1.42Å | |
| O37 | C38 | sing | 1.34Å | 1.45Å | |
| O22 | C20 | sing | 1.34Å | 1.43Å | |
| O21 | C20 | doub | 1.21Å | 1.19Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C38 | O39 | doub | 1.21Å | 1.18Å | |
| C38 | C40 | sing | 1.51Å | 1.59Å | |
| C40 | C41 | sing | 1.53Å | 1.61Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C41 | C42 | sing | 1.53Å | 1.58Å | |
| C42 | C43 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C43 | C44 | sing | 1.53Å | 1.58Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C44 | C45 | sing | 1.53Å | 1.60Å | |
| C03 | C04 | sing | 1.53Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C45 | C46 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C46 | C47 | sing | 1.51Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.58Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.51Å | 1.55Å | |
| C47 | C48 | doub | 1.31Å | 1.38Å | |
| C10 | C09 | doub | 1.31Å | 1.35Å | |
| C48 | C49 | sing | 1.51Å | 1.58Å | |
| C49 | C50 | sing | 1.53Å | 1.56Å | |
| C50 | C51 | sing | 1.53Å | 1.55Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C52 | C53 | sing | 1.53Å | 1.55Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C54 | C55 | sing | 1.53Å | 1.54Å | |
| C55 | C56 | sing | 1.53Å | 1.51Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C41 | H39 | sing | 1.09Å | 1.10Å | |
| C41 | H40 | sing | 1.09Å | 1.10Å | |
| C42 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H45 | sing | 1.09Å | 1.10Å | |
| C44 | H46 | sing | 1.09Å | 1.10Å | |
| C45 | H47 | sing | 1.09Å | 1.10Å | |
| C45 | H48 | sing | 1.09Å | 1.10Å | |
| C46 | H49 | sing | 1.09Å | 1.10Å | |
| C46 | H50 | sing | 1.09Å | 1.10Å | |
| C47 | H51 | sing | 1.08Å | 1.08Å | |
| C48 | H52 | sing | 1.08Å | 1.08Å | |
| C01 | H53 | sing | 1.09Å | 1.10Å | |
| C01 | H54 | sing | 1.09Å | 1.10Å | |
| C01 | H55 | sing | 1.09Å | 1.10Å | |
| C02 | H56 | sing | 1.09Å | 1.10Å | |
| C02 | H57 | sing | 1.09Å | 1.10Å | |
| C03 | H58 | sing | 1.09Å | 1.10Å | |
| C03 | H59 | sing | 1.09Å | 1.10Å | |
| C04 | H60 | sing | 1.09Å | 1.10Å | |
| C04 | H61 | sing | 1.09Å | 1.10Å | |
| C05 | H62 | sing | 1.09Å | 1.10Å | |
| C05 | H63 | sing | 1.09Å | 1.10Å | |
| C06 | H64 | sing | 1.09Å | 1.10Å | |
| C06 | H65 | sing | 1.09Å | 1.10Å | |
| C07 | H66 | sing | 1.09Å | 1.10Å | |
| C07 | H67 | sing | 1.09Å | 1.10Å | |
| C08 | H68 | sing | 1.09Å | 1.10Å | |
| C08 | H69 | sing | 1.09Å | 1.10Å | |
| C09 | H70 | sing | 1.08Å | 1.08Å | |
| C10 | H71 | sing | 1.08Å | 1.08Å | |
| C49 | H72 | sing | 1.09Å | 1.10Å | |
| C50 | H74 | sing | 1.09Å | 1.10Å | |
| C50 | H75 | sing | 1.09Å | 1.10Å | |
| C51 | H76 | sing | 1.09Å | 1.10Å | |
| C51 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C52 | H79 | sing | 1.09Å | 1.10Å | |
| C53 | H80 | sing | 1.09Å | 1.10Å | |
| C53 | H81 | sing | 1.09Å | 1.10Å | |
| C54 | H82 | sing | 1.09Å | 1.10Å | |
| C54 | H83 | sing | 1.09Å | 1.10Å | |
| C55 | H84 | sing | 1.09Å | 1.10Å | |
| C55 | H85 | sing | 1.09Å | 1.10Å | |
| C56 | H86 | sing | 1.09Å | 1.10Å | |
| C56 | H87 | sing | 1.09Å | 1.10Å | |
| C56 | H88 | sing | 1.09Å | 1.10Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N33 | C35 | 107.3° | 109.4° |
| C36 | N33 | C34 | 108.6° | 109.5° |
| C36 | N33 | C32 | 110.3° | 109.4° |
| N33 | C36 | H34 | 109.5° | 109.5° |
| N33 | C36 | H35 | 109.5° | 109.5° |
| N33 | C36 | H36 | 109.5° | 109.5° |
| O29 | P27 | O28 | 110.2° | 109.5° |
| O29 | P27 | O30 | 110.5° | 109.5° |
| O29 | P27 | O26 | 108.8° | 109.5° |
| C35 | N33 | C34 | 109.5° | 109.5° |
| C35 | N33 | C32 | 113.6° | 109.5° |
| N33 | C35 | H31 | 109.5° | 109.5° |
| N33 | C35 | H32 | 109.5° | 109.5° |
| N33 | C35 | H33 | 109.5° | 109.5° |
| C34 | N33 | C32 | 107.5° | 109.5° |
| N33 | C34 | H28 | 109.5° | 109.5° |
| N33 | C34 | H29 | 109.5° | 109.4° |
| N33 | C34 | H30 | 109.5° | 109.5° |
| N33 | C32 | C31 | 114.6° | 109.5° |
| N33 | C32 | H26 | 108.2° | 109.5° |
| N33 | C32 | H27 | 108.2° | 109.4° |
| C32 | C31 | O30 | 107.0° | 109.5° |
| C32 | C31 | H24 | 110.1° | 109.5° |
| C32 | C31 | H25 | 110.1° | 109.4° |
| C31 | C32 | H26 | 108.2° | 109.5° |
| C31 | C32 | H27 | 108.2° | 109.4° |
| O28 | P27 | O30 | 109.8° | 109.5° |
| O28 | P27 | O26 | 109.9° | 109.5° |
| O30 | P27 | O26 | 107.6° | 109.4° |
| P27 | O30 | C31 | 119.4° | 123.0° |
| P27 | O26 | C25 | 116.0° | 123.0° |
| O30 | C31 | H24 | 110.1° | 109.5° |
| O30 | C31 | H25 | 110.1° | 109.5° |
| O26 | C25 | C24 | 108.9° | 109.5° |
| O26 | C25 | H22 | 109.6° | 109.4° |
| O26 | C25 | H23 | 109.6° | 109.5° |
| C25 | C24 | C23 | 109.6° | 109.4° |
| C25 | C24 | O37 | 109.7° | 109.5° |
| C25 | C24 | H21 | 108.7° | 109.5° |
| C24 | C25 | H22 | 109.6° | 109.5° |
| C24 | C25 | H23 | 109.6° | 109.5° |
| C23 | C24 | O37 | 109.5° | 109.4° |
| C24 | C23 | O22 | 109.0° | 109.5° |
| C24 | C23 | H19 | 109.6° | 109.5° |
| C24 | C23 | H20 | 109.6° | 109.5° |
| C23 | C24 | H21 | 108.7° | 109.5° |
| C24 | O37 | C38 | 112.7° | 117.0° |
| O37 | C24 | H21 | 110.6° | 109.5° |
| C23 | O22 | C20 | 111.8° | 117.0° |
| O22 | C23 | H19 | 109.6° | 109.5° |
| O22 | C23 | H20 | 109.6° | 109.5° |
| O37 | C38 | O39 | 120.3° | 119.9° |
| O37 | C38 | C40 | 120.3° | 120.0° |
| O22 | C20 | O21 | 119.9° | 120.0° |
| O22 | C20 | C19 | 119.9° | 120.0° |
| O21 | C20 | C19 | 120.2° | 120.0° |
| C20 | C19 | C18 | 112.1° | 109.5° |
| C20 | C19 | H17 | 108.8° | 109.5° |
| C20 | C19 | H18 | 108.8° | 109.5° |
| O39 | C38 | C40 | 119.4° | 120.0° |
| C38 | C40 | C41 | 110.7° | 109.5° |
| C38 | C40 | H37 | 109.2° | 109.4° |
| C38 | C40 | H38 | 109.2° | 109.5° |
| C40 | C41 | C42 | 112.4° | 109.5° |
| C41 | C40 | H37 | 109.2° | 109.5° |
| C41 | C40 | H38 | 109.2° | 109.5° |
| C40 | C41 | H39 | 108.7° | 109.5° |
| C40 | C41 | H40 | 108.8° | 109.5° |
| C19 | C18 | C17 | 112.1° | 109.5° |
| C19 | C18 | H15 | 108.8° | 109.5° |
| C19 | C18 | H16 | 108.8° | 109.4° |
| C18 | C19 | H17 | 108.8° | 109.5° |
| C18 | C19 | H18 | 108.8° | 109.5° |
| C18 | C17 | C16 | 112.3° | 109.5° |
| C18 | C17 | H13 | 108.8° | 109.4° |
| C18 | C17 | H14 | 108.8° | 109.5° |
| C17 | C18 | H15 | 108.8° | 109.5° |
| C17 | C18 | H16 | 108.8° | 109.5° |
| C41 | C42 | C43 | 113.0° | 109.5° |
| C42 | C41 | H39 | 108.8° | 109.5° |
| C42 | C41 | H40 | 108.7° | 109.4° |
| C41 | C42 | H41 | 108.6° | 109.5° |
| C41 | C42 | H42 | 108.6° | 109.5° |
| C42 | C43 | C44 | 113.5° | 109.5° |
| C43 | C42 | H41 | 108.6° | 109.5° |
| C43 | C42 | H42 | 108.6° | 109.5° |
| C42 | C43 | H43 | 108.5° | 109.5° |
| C42 | C43 | H44 | 108.4° | 109.4° |
| C17 | C16 | C15 | 112.7° | 109.5° |
| C17 | C16 | H11 | 108.7° | 109.5° |
| C17 | C16 | H12 | 108.6° | 109.5° |
| C16 | C17 | H13 | 108.8° | 109.5° |
| C16 | C17 | H14 | 108.8° | 109.5° |
| C16 | C15 | C14 | 112.0° | 109.5° |
| C16 | C15 | H9 | 108.8° | 109.5° |
| C16 | C15 | H10 | 108.8° | 109.5° |
| C15 | C16 | H11 | 108.6° | 109.5° |
| C15 | C16 | H12 | 108.7° | 109.4° |
| C43 | C44 | C45 | 112.6° | 109.5° |
| C44 | C43 | H43 | 108.4° | 109.5° |
| C44 | C43 | H44 | 108.4° | 109.5° |
| C43 | C44 | H45 | 108.7° | 109.5° |
| C43 | C44 | H46 | 108.7° | 109.5° |
| C01 | C02 | C03 | 112.4° | 109.5° |
| C02 | C01 | H53 | 109.5° | 109.5° |
| C02 | C01 | H54 | 109.4° | 109.5° |
| C02 | C01 | H55 | 109.5° | 109.5° |
| C01 | C02 | H56 | 108.7° | 109.5° |
| C01 | C02 | H57 | 108.7° | 109.5° |
| C02 | C03 | C04 | 113.0° | 109.5° |
| C03 | C02 | H56 | 108.7° | 109.5° |
| C03 | C02 | H57 | 108.7° | 109.5° |
| C02 | C03 | H58 | 108.6° | 109.4° |
| C02 | C03 | H59 | 108.6° | 109.5° |
| C15 | C14 | C13 | 112.9° | 109.5° |
| C15 | C14 | H7 | 108.6° | 109.5° |
| C15 | C14 | H8 | 108.6° | 109.5° |
| C14 | C15 | H9 | 108.9° | 109.5° |
| C14 | C15 | H10 | 108.8° | 109.5° |
| C44 | C45 | C46 | 112.3° | 109.5° |
| C45 | C44 | H45 | 108.6° | 109.5° |
| C45 | C44 | H46 | 108.7° | 109.4° |
| C44 | C45 | H47 | 108.8° | 109.5° |
| C44 | C45 | H48 | 108.8° | 109.5° |
| C03 | C04 | C05 | 112.6° | 109.5° |
| C04 | C03 | H58 | 108.6° | 109.5° |
| C04 | C03 | H59 | 108.6° | 109.5° |
| C03 | C04 | H60 | 108.7° | 109.5° |
| C03 | C04 | H61 | 108.7° | 109.5° |
| C04 | C05 | C06 | 112.0° | 109.5° |
| C05 | C04 | H60 | 108.7° | 109.4° |
| C05 | C04 | H61 | 108.7° | 109.5° |
| C04 | C05 | H62 | 108.8° | 109.4° |
| C04 | C05 | H63 | 108.8° | 109.5° |
| C14 | C13 | C12 | 112.9° | 109.5° |
| C14 | C13 | H5 | 108.6° | 109.5° |
| C14 | C13 | H6 | 108.6° | 109.5° |
| C13 | C14 | H7 | 108.6° | 109.5° |
| C13 | C14 | H8 | 108.6° | 109.5° |
| C45 | C46 | C47 | 109.5° | 109.5° |
| C46 | C45 | H47 | 108.8° | 109.5° |
| C46 | C45 | H48 | 108.8° | 109.4° |
| C45 | C46 | H49 | 109.4° | 109.5° |
| C45 | C46 | H50 | 109.5° | 109.4° |
| C13 | C12 | C11 | 112.7° | 109.5° |
| C13 | C12 | H3 | 108.7° | 109.5° |
| C13 | C12 | H4 | 108.6° | 109.4° |
| C12 | C13 | H5 | 108.6° | 109.4° |
| C12 | C13 | H6 | 108.6° | 109.5° |
| C05 | C06 | C07 | 113.5° | 109.4° |
| C06 | C05 | H62 | 108.8° | 109.5° |
| C06 | C05 | H63 | 108.8° | 109.5° |
| C05 | C06 | H64 | 108.5° | 109.5° |
| C05 | C06 | H65 | 108.5° | 109.5° |
| C46 | C47 | C48 | 122.2° | 119.9° |
| C47 | C46 | H49 | 109.5° | 109.5° |
| C47 | C46 | H50 | 109.4° | 109.5° |
| C46 | C47 | H51 | 118.9° | 120.0° |
| C06 | C07 | C08 | 112.9° | 109.5° |
| C07 | C06 | H64 | 108.5° | 109.4° |
| C07 | C06 | H65 | 108.5° | 109.5° |
| C06 | C07 | H66 | 108.6° | 109.5° |
| C06 | C07 | H67 | 108.6° | 109.5° |
| C12 | C11 | C10 | 109.2° | 109.5° |
| C12 | C11 | H1 | 109.5° | 109.5° |
| C12 | C11 | H2 | 109.6° | 109.4° |
| C11 | C12 | H3 | 108.6° | 109.5° |
| C11 | C12 | H4 | 108.7° | 109.5° |
| C11 | C10 | C09 | 121.8° | 120.0° |
| C10 | C11 | H1 | 109.5° | 109.5° |
| C10 | C11 | H2 | 109.5° | 109.5° |
| C11 | C10 | H71 | 119.1° | 120.0° |
| C07 | C08 | C09 | 108.4° | 109.5° |
| C08 | C07 | H66 | 108.6° | 109.4° |
| C08 | C07 | H67 | 108.6° | 109.4° |
| C07 | C08 | H68 | 109.7° | 109.5° |
| C07 | C08 | H69 | 109.8° | 109.4° |
| C08 | C09 | C10 | 122.2° | 120.0° |
| C09 | C08 | H68 | 109.8° | 109.5° |
| C09 | C08 | H69 | 109.8° | 109.5° |
| C08 | C09 | H70 | 118.9° | 120.0° |
| C47 | C48 | C49 | 122.8° | 120.0° |
| C48 | C47 | H51 | 118.9° | 120.0° |
| C47 | C48 | H52 | 118.6° | 120.0° |
| C10 | C09 | H70 | 118.9° | 120.0° |
| C09 | C10 | H71 | 119.1° | 120.0° |
| C48 | C49 | C50 | 108.6° | 109.4° |
| C49 | C48 | H52 | 118.6° | 120.0° |
| C48 | C49 | H72 | 109.7° | 109.4° |
| C48 | C49 | H73 | 109.7° | 109.5° |
| C49 | C50 | C51 | 114.3° | 109.4° |
| C50 | C49 | H72 | 109.7° | 109.5° |
| C49 | C50 | H74 | 108.2° | 109.5° |
| C49 | C50 | H75 | 108.2° | 109.5° |
| C50 | C49 | H73 | 109.7° | 109.5° |
| C50 | C51 | C52 | 110.3° | 109.5° |
| C51 | C50 | H74 | 108.3° | 109.5° |
| C51 | C50 | H75 | 108.2° | 109.5° |
| C50 | C51 | H76 | 109.3° | 109.5° |
| C50 | C51 | H77 | 109.3° | 109.5° |
| C51 | C52 | C53 | 115.6° | 109.5° |
| C52 | C51 | H76 | 109.3° | 109.5° |
| C52 | C51 | H77 | 109.3° | 109.4° |
| C51 | C52 | H78 | 107.9° | 109.5° |
| C51 | C52 | H79 | 107.9° | 109.4° |
| C52 | C53 | C54 | 113.4° | 109.4° |
| C53 | C52 | H78 | 107.9° | 109.5° |
| C53 | C52 | H79 | 107.9° | 109.4° |
| C52 | C53 | H80 | 108.5° | 109.5° |
| C52 | C53 | H81 | 108.5° | 109.5° |
| C53 | C54 | C55 | 111.7° | 109.5° |
| C54 | C53 | H80 | 108.5° | 109.5° |
| C54 | C53 | H81 | 108.5° | 109.4° |
| C53 | C54 | H82 | 108.9° | 109.5° |
| C53 | C54 | H83 | 108.9° | 109.5° |
| C54 | C55 | C56 | 112.6° | 109.5° |
| C55 | C54 | H82 | 108.9° | 109.5° |
| C55 | C54 | H83 | 108.9° | 109.5° |
| C54 | C55 | H84 | 108.7° | 109.5° |
| C54 | C55 | H85 | 108.7° | 109.5° |
| C56 | C55 | H84 | 108.7° | 109.4° |
| C56 | C55 | H85 | 108.7° | 109.5° |
| C55 | C56 | H86 | 109.5° | 109.4° |
| C55 | C56 | H87 | 109.5° | 109.5° |
| C55 | C56 | H88 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.4° | 109.4° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.4° |
| H28 | C34 | H30 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H31 | C35 | H33 | 109.4° | 109.5° |
| H32 | C35 | H33 | 109.5° | 109.5° |
| H34 | C36 | H35 | 109.4° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.4° | 109.4° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H39 | C41 | H40 | 109.5° | 109.5° |
| H41 | C42 | H42 | 109.5° | 109.4° |
| H43 | C43 | H44 | 109.5° | 109.5° |
| H45 | C44 | H46 | 109.5° | 109.5° |
| H47 | C45 | H48 | 109.5° | 109.5° |
| H49 | C46 | H50 | 109.5° | 109.5° |
| H53 | C01 | H54 | 109.5° | 109.5° |
| H53 | C01 | H55 | 109.5° | 109.5° |
| H54 | C01 | H55 | 109.5° | 109.4° |
| H56 | C02 | H57 | 109.5° | 109.4° |
| H58 | C03 | H59 | 109.5° | 109.5° |
| H60 | C04 | H61 | 109.4° | 109.5° |
| H62 | C05 | H63 | 109.5° | 109.5° |
| H64 | C06 | H65 | 109.5° | 109.5° |
| H66 | C07 | H67 | 109.5° | 109.5° |
| H68 | C08 | H69 | 109.5° | 109.5° |
| H72 | C49 | H73 | 109.5° | 109.5° |
| H74 | C50 | H75 | 109.5° | 109.5° |
| H76 | C51 | H77 | 109.5° | 109.5° |
| H78 | C52 | H79 | 109.5° | 109.5° |
| H80 | C53 | H81 | 109.4° | 109.5° |
| H82 | C54 | H83 | 109.5° | 109.5° |
| H84 | C55 | H85 | 109.5° | 109.5° |
| H86 | C56 | H87 | 109.5° | 109.5° |
| H86 | C56 | H88 | 109.5° | 109.5° |
| H87 | C56 | H88 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | N33 | C35 | C34 | 117.7° | 120.0° |
| C36 | N33 | C35 | C32 | 122.2° | 119.9° |
| C36 | N33 | C34 | C32 | 119.4° | 120.0° |
| C36 | N33 | C32 | C31 | 75.5° | 65.3° |
| C36 | N33 | C32 | H26 | 163.8° | 54.8° |
| C36 | N33 | C32 | H27 | 45.3° | 174.8° |
| C36 | N33 | C34 | H28 | 180.0° | 60.1° |
| C36 | N33 | C34 | H29 | 60.0° | 180.0° |
| C36 | N33 | C34 | H30 | 60.0° | 60.0° |
| C36 | N33 | C35 | H31 | 180.0° | 70.7° |
| C36 | N33 | C35 | H32 | 60.0° | 169.3° |
| C36 | N33 | C35 | H33 | 60.0° | 49.3° |
| N33 | C36 | H34 | H35 | 120.0° | 120.0° |
| N33 | C36 | H34 | H36 | 120.0° | 120.0° |
| N33 | C36 | H35 | H36 | 120.0° | 120.0° |
| O29 | P27 | O28 | O30 | 121.9° | 120.0° |
| O29 | P27 | O28 | O26 | 119.9° | 120.0° |
| O29 | P27 | O30 | O26 | 118.7° | 120.0° |
| O29 | P27 | O30 | C31 | 23.5° | 55.0° |
| O29 | P27 | O26 | C25 | 74.0° | 55.0° |
| C35 | N33 | C34 | C32 | 123.8° | 120.1° |
| C35 | N33 | C32 | C31 | 45.0° | 54.7° |
| C35 | N33 | C32 | H26 | 75.7° | 174.7° |
| C35 | N33 | C32 | H27 | 165.8° | 65.3° |
| C35 | N33 | C34 | H28 | 63.1° | 180.0° |
| C35 | N33 | C34 | H29 | 56.9° | 60.1° |
| C35 | N33 | C34 | H30 | 176.9° | 59.9° |
| N33 | C35 | H31 | H32 | 120.0° | 120.0° |
| N33 | C35 | H31 | H33 | 120.0° | 120.0° |
| N33 | C35 | H32 | H33 | 120.0° | 120.0° |
| C35 | N33 | C36 | H34 | 180.0° | 60.0° |
| C35 | N33 | C36 | H35 | 60.0° | 180.0° |
| C35 | N33 | C36 | H36 | 60.0° | 60.0° |
| C34 | N33 | C32 | C31 | 166.2° | 174.7° |
| C34 | N33 | C32 | H26 | 45.5° | 65.2° |
| C34 | N33 | C32 | H27 | 73.0° | 54.8° |
| N33 | C34 | H28 | H29 | 120.0° | 119.9° |
| N33 | C34 | H28 | H30 | 120.0° | 120.1° |
| N33 | C34 | H29 | H30 | 120.0° | 120.0° |
| C34 | N33 | C35 | H31 | 62.3° | 49.3° |
| C34 | N33 | C35 | H32 | 177.7° | 70.7° |
| C34 | N33 | C35 | H33 | 57.7° | 169.2° |
| C34 | N33 | C36 | H34 | 61.7° | 180.0° |
| C34 | N33 | C36 | H35 | 58.3° | 60.0° |
| C34 | N33 | C36 | H36 | 178.2° | 59.9° |
| N33 | C32 | C31 | H26 | 120.7° | 120.1° |
| N33 | C32 | C31 | H27 | 120.7° | 119.9° |
| N33 | C32 | C31 | O30 | 172.9° | 71.1° |
| N33 | C32 | C31 | H24 | 53.3° | 168.9° |
| N33 | C32 | C31 | H25 | 67.5° | 48.9° |
| N33 | C32 | H26 | H27 | 117.7° | 119.9° |
| C32 | N33 | C34 | H28 | 60.7° | 59.9° |
| C32 | N33 | C34 | H29 | 179.3° | 60.0° |
| C32 | N33 | C34 | H30 | 59.4° | 180.0° |
| C32 | N33 | C35 | H31 | 57.8° | 169.3° |
| C32 | N33 | C35 | H32 | 62.2° | 49.4° |
| C32 | N33 | C35 | H33 | 177.8° | 70.7° |
| C32 | N33 | C36 | H34 | 55.8° | 60.0° |
| C32 | N33 | C36 | H35 | 175.8° | 60.0° |
| C32 | N33 | C36 | H36 | 64.2° | 180.0° |
| C32 | C31 | O30 | P27 | 90.1° | 180.0° |
| C32 | C31 | O30 | H24 | 119.6° | 120.0° |
| C32 | C31 | O30 | H25 | 119.6° | 120.0° |
| C32 | C31 | H24 | H25 | 121.1° | 119.9° |
| C31 | C32 | H26 | H27 | 117.7° | 120.0° |
| O28 | P27 | O30 | O26 | 119.6° | 120.0° |
| O28 | P27 | O30 | C31 | 98.2° | 65.0° |
| O28 | P27 | O26 | C25 | 165.3° | 65.0° |
| O30 | P27 | O26 | C25 | 45.7° | 175.0° |
| P27 | O30 | C31 | H24 | 29.5° | 60.0° |
| P27 | O30 | C31 | H25 | 150.3° | 60.0° |
| O26 | P27 | O30 | C31 | 142.2° | 175.0° |
| P27 | O26 | C25 | C24 | 136.6° | 180.0° |
| P27 | O26 | C25 | H22 | 103.5° | 60.0° |
| P27 | O26 | C25 | H23 | 16.7° | 60.0° |
| O30 | C31 | H24 | H25 | 121.2° | 120.0° |
| O30 | C31 | C32 | H26 | 66.4° | 168.8° |
| O30 | C31 | C32 | H27 | 52.2° | 48.8° |
| O26 | C25 | C24 | H22 | 119.9° | 120.0° |
| O26 | C25 | C24 | H23 | 119.9° | 120.0° |
| O26 | C25 | C24 | C23 | 179.1° | 55.0° |
| O26 | C25 | C24 | O37 | 58.8° | 65.0° |
| O26 | C25 | C24 | H21 | 62.2° | 175.0° |
| O26 | C25 | H22 | H23 | 120.3° | 120.0° |
| C25 | C24 | C23 | O37 | 120.4° | 120.0° |
| C25 | C24 | C23 | H21 | 118.7° | 120.0° |
| C25 | C24 | O37 | H21 | 119.9° | 120.1° |
| C25 | C24 | C23 | O22 | 89.5° | 55.0° |
| C25 | C24 | O37 | C38 | 154.2° | 90.0° |
| C25 | C24 | C23 | H19 | 150.6° | 175.0° |
| C25 | C24 | C23 | H20 | 30.5° | 65.0° |
| C24 | C25 | H22 | H23 | 120.3° | 120.0° |
| C23 | C24 | O37 | H21 | 119.8° | 120.0° |
| C24 | C23 | O22 | H19 | 119.9° | 120.0° |
| C24 | C23 | O22 | H20 | 119.9° | 120.1° |
| C23 | C24 | O37 | C38 | 85.4° | 150.0° |
| C24 | C23 | O22 | C20 | 151.3° | 180.0° |
| C24 | C23 | H19 | H20 | 120.2° | 120.0° |
| C23 | C24 | C25 | H22 | 61.0° | 65.0° |
| C23 | C24 | C25 | H23 | 59.2° | 175.0° |
| O37 | C24 | C23 | O22 | 30.9° | 65.0° |
| C24 | O37 | C38 | O39 | 34.8° | 0.0° |
| C24 | O37 | C38 | C40 | 145.7° | 180.0° |
| O37 | C24 | C23 | H19 | 89.1° | 55.1° |
| O37 | C24 | C23 | H20 | 150.8° | 175.0° |
| O37 | C24 | C25 | H22 | 178.7° | 175.0° |
| O37 | C24 | C25 | H23 | 61.1° | 55.1° |
| C23 | O22 | C20 | O21 | 74.3° | 0.0° |
| C23 | O22 | C20 | C19 | 104.6° | 180.0° |
| O22 | C23 | H19 | H20 | 120.2° | 119.9° |
| O22 | C23 | C24 | H21 | 151.8° | 175.0° |
| O37 | C38 | O39 | C40 | 179.6° | 180.0° |
| O37 | C38 | C40 | C41 | 144.6° | 180.0° |
| C38 | O37 | C24 | H21 | 34.3° | 30.0° |
| O37 | C38 | C40 | H37 | 24.3° | 60.0° |
| O37 | C38 | C40 | H38 | 95.3° | 60.0° |
| O22 | C20 | O21 | C19 | 178.9° | 180.0° |
| O22 | C20 | C19 | C18 | 102.3° | 180.0° |
| O22 | C20 | C19 | H17 | 137.3° | 60.0° |
| O22 | C20 | C19 | H18 | 18.1° | 60.0° |
| C20 | O22 | C23 | H19 | 31.4° | 60.0° |
| C20 | O22 | C23 | H20 | 88.7° | 59.9° |
| O21 | C20 | C19 | C18 | 76.6° | 0.0° |
| O21 | C20 | C19 | H17 | 43.8° | 120.0° |
| O21 | C20 | C19 | H18 | 163.0° | 120.1° |
| C20 | C19 | C18 | H17 | 120.4° | 120.0° |
| C20 | C19 | C18 | H18 | 120.4° | 120.0° |
| C20 | C19 | C18 | C17 | 178.9° | 180.0° |
| C20 | C19 | C18 | H15 | 60.6° | 60.0° |
| C20 | C19 | C18 | H16 | 58.6° | 60.0° |
| C20 | C19 | H17 | H18 | 118.8° | 120.0° |
| O39 | C38 | C40 | C41 | 35.0° | 0.0° |
| O39 | C38 | C40 | H37 | 155.2° | 120.0° |
| O39 | C38 | C40 | H38 | 85.2° | 120.0° |
| C38 | C40 | C41 | H37 | 120.2° | 120.0° |
| C38 | C40 | C41 | H38 | 120.2° | 120.0° |
| C38 | C40 | C41 | C42 | 172.0° | 180.0° |
| C38 | C40 | H37 | H38 | 119.4° | 120.0° |
| C38 | C40 | C41 | H39 | 67.6° | 60.0° |
| C38 | C40 | C41 | H40 | 51.5° | 60.0° |
| C40 | C41 | C42 | H39 | 120.4° | 120.1° |
| C40 | C41 | C42 | H40 | 120.4° | 120.0° |
| C40 | C41 | C42 | C43 | 152.9° | 180.0° |
| C41 | C40 | H37 | H38 | 119.4° | 120.0° |
| C40 | C41 | H39 | H40 | 118.7° | 120.0° |
| C40 | C41 | C42 | H41 | 32.3° | 60.0° |
| C40 | C41 | C42 | H42 | 86.6° | 60.0° |
| C19 | C18 | C17 | H15 | 120.4° | 120.0° |
| C19 | C18 | C17 | H16 | 120.4° | 119.9° |
| C19 | C18 | C17 | C16 | 163.5° | 180.0° |
| C19 | C18 | C17 | H13 | 76.0° | 60.0° |
| C19 | C18 | C17 | H14 | 43.1° | 60.0° |
| C19 | C18 | H15 | H16 | 118.8° | 120.0° |
| C18 | C19 | H17 | H18 | 118.8° | 120.0° |
| C18 | C17 | C16 | H13 | 120.4° | 120.0° |
| C18 | C17 | C16 | H14 | 120.5° | 120.0° |
| C18 | C17 | C16 | C15 | 146.4° | 180.0° |
| C18 | C17 | C16 | H11 | 93.1° | 60.0° |
| C18 | C17 | C16 | H12 | 25.9° | 60.0° |
| C18 | C17 | H13 | H14 | 118.7° | 120.0° |
| C17 | C18 | H15 | H16 | 118.8° | 120.0° |
| C17 | C18 | C19 | H17 | 58.6° | 60.0° |
| C17 | C18 | C19 | H18 | 60.7° | 60.0° |
| C41 | C42 | C43 | H41 | 120.5° | 120.0° |
| C41 | C42 | C43 | H42 | 120.5° | 120.0° |
| C41 | C42 | C43 | C44 | 89.1° | 180.0° |
| C42 | C41 | C40 | H37 | 51.8° | 60.0° |
| C42 | C41 | C40 | H38 | 67.8° | 60.0° |
| C42 | C41 | H39 | H40 | 118.7° | 119.9° |
| C41 | C42 | H41 | H42 | 118.4° | 120.0° |
| C41 | C42 | C43 | H43 | 31.5° | 60.0° |
| C41 | C42 | C43 | H44 | 150.3° | 60.0° |
| C42 | C43 | C44 | H43 | 120.6° | 120.0° |
| C42 | C43 | C44 | H44 | 120.6° | 120.0° |
| C42 | C43 | C44 | C45 | 127.9° | 180.0° |
| C43 | C42 | C41 | H39 | 86.7° | 59.9° |
| C43 | C42 | C41 | H40 | 32.4° | 60.0° |
| C43 | C42 | H41 | H42 | 118.4° | 120.0° |
| C42 | C43 | H43 | H44 | 118.2° | 120.0° |
| C42 | C43 | C44 | H45 | 7.4° | 60.0° |
| C42 | C43 | C44 | H46 | 111.7° | 60.0° |
| C17 | C16 | C15 | H11 | 120.5° | 120.0° |
| C17 | C16 | C15 | H12 | 120.5° | 120.0° |
| C17 | C16 | C15 | C14 | 79.1° | 180.0° |
| C17 | C16 | C15 | H9 | 160.5° | 60.0° |
| C17 | C16 | C15 | H10 | 41.3° | 60.0° |
| C17 | C16 | H11 | H12 | 118.5° | 120.1° |
| C16 | C17 | H13 | H14 | 118.7° | 120.0° |
| C16 | C17 | C18 | H15 | 43.1° | 60.0° |
| C16 | C17 | C18 | H16 | 76.1° | 60.0° |
| C16 | C15 | C14 | H9 | 120.4° | 120.0° |
| C16 | C15 | C14 | H10 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 117.3° | 180.0° |
| C16 | C15 | C14 | H7 | 122.2° | 60.0° |
| C16 | C15 | C14 | H8 | 3.2° | 60.0° |
| C16 | C15 | H9 | H10 | 118.8° | 120.0° |
| C15 | C16 | H11 | H12 | 118.5° | 120.0° |
| C15 | C16 | C17 | H13 | 26.0° | 60.0° |
| C15 | C16 | C17 | H14 | 93.2° | 60.0° |
| C43 | C44 | C45 | H45 | 120.5° | 120.0° |
| C43 | C44 | C45 | H46 | 120.4° | 120.0° |
| C43 | C44 | C45 | C46 | 82.4° | 180.0° |
| C44 | C43 | C42 | H41 | 150.4° | 60.0° |
| C44 | C43 | C42 | H42 | 31.4° | 59.9° |
| C44 | C43 | H43 | H44 | 118.1° | 120.1° |
| C43 | C44 | H45 | H46 | 118.6° | 120.1° |
| C43 | C44 | C45 | H47 | 38.0° | 60.0° |
| C43 | C44 | C45 | H48 | 157.2° | 60.0° |
| C01 | C02 | C03 | H56 | 120.4° | 120.0° |
| C01 | C02 | C03 | H57 | 120.4° | 120.1° |
| C01 | C02 | C03 | C04 | 154.3° | 180.0° |
| C02 | C01 | H53 | H54 | 120.0° | 120.1° |
| C02 | C01 | H53 | H55 | 120.0° | 120.0° |
| C02 | C01 | H54 | H55 | 120.0° | 120.0° |
| C01 | C02 | H56 | H57 | 118.7° | 120.0° |
| C01 | C02 | C03 | H58 | 33.8° | 60.0° |
| C01 | C02 | C03 | H59 | 85.1° | 60.0° |
| C02 | C03 | C04 | H58 | 120.5° | 119.9° |
| C02 | C03 | C04 | H59 | 120.5° | 120.0° |
| C02 | C03 | C04 | C05 | 158.7° | 180.0° |
| C03 | C02 | C01 | H53 | 180.0° | 180.0° |
| C03 | C02 | C01 | H54 | 60.0° | 59.9° |
| C03 | C02 | C01 | H55 | 60.0° | 60.0° |
| C03 | C02 | H56 | H57 | 118.7° | 119.9° |
| C02 | C03 | H58 | H59 | 118.4° | 120.0° |
| C02 | C03 | C04 | H60 | 80.8° | 60.1° |
| C02 | C03 | C04 | H61 | 38.2° | 60.0° |
| C15 | C14 | C13 | H7 | 120.5° | 120.0° |
| C15 | C14 | C13 | H8 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 162.9° | 180.0° |
| C15 | C14 | C13 | H5 | 42.4° | 60.0° |
| C15 | C14 | C13 | H6 | 76.6° | 60.0° |
| C15 | C14 | H7 | H8 | 118.4° | 120.0° |
| C14 | C15 | H9 | H10 | 118.9° | 120.0° |
| C14 | C15 | C16 | H11 | 41.4° | 60.0° |
| C14 | C15 | C16 | H12 | 160.4° | 60.0° |
| C44 | C45 | C46 | H47 | 120.4° | 120.0° |
| C44 | C45 | C46 | H48 | 120.4° | 120.0° |
| C44 | C45 | C46 | C47 | 161.5° | 180.0° |
| C45 | C44 | C43 | H43 | 111.5° | 60.0° |
| C45 | C44 | C43 | H44 | 7.3° | 60.0° |
| C45 | C44 | H45 | H46 | 118.5° | 120.0° |
| C44 | C45 | H47 | H48 | 118.7° | 120.0° |
| C44 | C45 | C46 | H49 | 41.5° | 60.0° |
| C44 | C45 | C46 | H50 | 78.5° | 60.0° |
| C03 | C04 | C05 | H60 | 120.5° | 120.0° |
| C03 | C04 | C05 | H61 | 120.5° | 120.0° |
| C03 | C04 | C05 | C06 | 160.8° | 180.0° |
| C04 | C03 | C02 | H56 | 85.3° | 60.0° |
| C04 | C03 | C02 | H57 | 33.9° | 59.9° |
| C04 | C03 | H58 | H59 | 118.4° | 120.1° |
| C03 | C04 | H60 | H61 | 118.6° | 120.1° |
| C03 | C04 | C05 | H62 | 40.5° | 60.0° |
| C03 | C04 | C05 | H63 | 78.8° | 60.0° |
| C04 | C05 | C06 | H62 | 120.4° | 119.9° |
| C04 | C05 | C06 | H63 | 120.4° | 120.0° |
| C04 | C05 | C06 | C07 | 137.6° | 180.0° |
| C05 | C04 | C03 | H58 | 38.2° | 60.1° |
| C05 | C04 | C03 | H59 | 80.8° | 60.0° |
| C05 | C04 | H60 | H61 | 118.6° | 120.0° |
| C04 | C05 | H62 | H63 | 118.9° | 120.0° |
| C04 | C05 | C06 | H64 | 17.0° | 60.1° |
| C04 | C05 | C06 | H65 | 101.8° | 60.0° |
| C14 | C13 | C12 | H5 | 120.5° | 120.0° |
| C14 | C13 | C12 | H6 | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 133.2° | 180.0° |
| C14 | C13 | C12 | H3 | 106.3° | 60.0° |
| C14 | C13 | C12 | H4 | 12.7° | 60.0° |
| C14 | C13 | H5 | H6 | 118.5° | 120.0° |
| C13 | C14 | H7 | H8 | 118.5° | 120.0° |
| C13 | C14 | C15 | H9 | 3.1° | 60.0° |
| C13 | C14 | C15 | H10 | 122.3° | 60.0° |
| C45 | C46 | C47 | H49 | 120.0° | 120.0° |
| C45 | C46 | C47 | H50 | 120.0° | 119.9° |
| C45 | C46 | C47 | C48 | 175.7° | 127.3° |
| C46 | C45 | C44 | H45 | 157.1° | 60.0° |
| C46 | C45 | C44 | H46 | 38.1° | 60.0° |
| C46 | C45 | H47 | H48 | 118.7° | 120.0° |
| C45 | C46 | H49 | H50 | 120.0° | 120.0° |
| C45 | C46 | C47 | H51 | 4.3° | 52.7° |
| C13 | C12 | C11 | H3 | 120.5° | 120.0° |
| C13 | C12 | C11 | H4 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 75.7° | 180.0° |
| C13 | C12 | C11 | H1 | 164.3° | 60.0° |
| C13 | C12 | C11 | H2 | 44.2° | 60.0° |
| C13 | C12 | H3 | H4 | 118.5° | 119.9° |
| C12 | C13 | H5 | H6 | 118.4° | 120.0° |
| C12 | C13 | C14 | H7 | 76.6° | 60.0° |
| C12 | C13 | C14 | H8 | 42.4° | 60.0° |
| C05 | C06 | C07 | H64 | 120.6° | 120.0° |
| C05 | C06 | C07 | H65 | 120.6° | 120.0° |
| C05 | C06 | C07 | C08 | 163.5° | 180.0° |
| C06 | C05 | C04 | H60 | 78.7° | 60.0° |
| C06 | C05 | C04 | H61 | 40.4° | 60.0° |
| C06 | C05 | H62 | H63 | 118.8° | 120.1° |
| C05 | C06 | H64 | H65 | 118.2° | 120.1° |
| C05 | C06 | C07 | H66 | 76.0° | 60.0° |
| C05 | C06 | C07 | H67 | 43.0° | 60.0° |
| C46 | C47 | C48 | H51 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.3° | 7.4° |
| C47 | C46 | C45 | H47 | 78.1° | 60.0° |
| C47 | C46 | C45 | H48 | 41.1° | 60.0° |
| C47 | C46 | H49 | H50 | 120.0° | 120.0° |
| C46 | C47 | C48 | H52 | 179.7° | 172.6° |
| C06 | C07 | C08 | H66 | 120.5° | 120.0° |
| C06 | C07 | C08 | H67 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 170.8° | 180.0° |
| C07 | C06 | C05 | H62 | 102.1° | 60.0° |
| C07 | C06 | C05 | H63 | 17.2° | 60.0° |
| C07 | C06 | H64 | H65 | 118.2° | 120.0° |
| C06 | C07 | H66 | H67 | 118.5° | 120.0° |
| C06 | C07 | C08 | H68 | 69.4° | 60.0° |
| C06 | C07 | C08 | H69 | 50.9° | 60.0° |
| C12 | C11 | C10 | H1 | 120.0° | 120.0° |
| C12 | C11 | C10 | H2 | 120.0° | 119.9° |
| C12 | C11 | C10 | C09 | 174.7° | 127.9° |
| C12 | C11 | H1 | H2 | 120.1° | 120.0° |
| C11 | C12 | H3 | H4 | 118.6° | 120.0° |
| C11 | C12 | C13 | H5 | 12.7° | 60.0° |
| C11 | C12 | C13 | H6 | 106.3° | 60.0° |
| C12 | C11 | C10 | H71 | 5.3° | 52.1° |
| C11 | C10 | C09 | C08 | 0.3° | 6.3° |
| C11 | C10 | C09 | H71 | 180.0° | 180.0° |
| C10 | C11 | H1 | H2 | 120.1° | 120.0° |
| C10 | C11 | C12 | H3 | 44.7° | 60.0° |
| C10 | C11 | C12 | H4 | 163.8° | 60.0° |
| C11 | C10 | C09 | H70 | 179.7° | 173.7° |
| C07 | C08 | C09 | H68 | 119.8° | 120.0° |
| C07 | C08 | C09 | H69 | 119.8° | 120.0° |
| C07 | C08 | C09 | C10 | 163.1° | 126.5° |
| C08 | C07 | C06 | H64 | 42.9° | 60.0° |
| C08 | C07 | C06 | H65 | 75.9° | 60.0° |
| C08 | C07 | H66 | H67 | 118.4° | 120.0° |
| C07 | C08 | H68 | H69 | 120.5° | 120.0° |
| C07 | C08 | C09 | H70 | 16.9° | 53.5° |
| C08 | C09 | C10 | H70 | 180.0° | 180.0° |
| C09 | C08 | C07 | H66 | 50.2° | 60.0° |
| C09 | C08 | C07 | H67 | 68.7° | 60.0° |
| C09 | C08 | H68 | H69 | 120.5° | 120.1° |
| C08 | C09 | C10 | H71 | 179.7° | 173.7° |
| C47 | C48 | C49 | H52 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 145.9° | 127.3° |
| C48 | C47 | C46 | H49 | 55.7° | 7.2° |
| C48 | C47 | C46 | H50 | 64.3° | 112.8° |
| C47 | C48 | C49 | H72 | 26.0° | 112.7° |
| C47 | C48 | C49 | H73 | 94.2° | 7.3° |
| C09 | C10 | C11 | H1 | 65.4° | 7.9° |
| C09 | C10 | C11 | H2 | 54.7° | 112.1° |
| C10 | C09 | C08 | H68 | 43.3° | 6.6° |
| C10 | C09 | C08 | H69 | 77.1° | 113.5° |
| C48 | C49 | C50 | H72 | 119.9° | 119.9° |
| C48 | C49 | C50 | H73 | 119.9° | 120.0° |
| C48 | C49 | C50 | C51 | 94.9° | 180.0° |
| C49 | C48 | C47 | H51 | 179.7° | 172.6° |
| C48 | C49 | H72 | H73 | 120.4° | 120.0° |
| C48 | C49 | C50 | H74 | 25.8° | 60.0° |
| C48 | C49 | C50 | H75 | 144.4° | 60.0° |
| C49 | C50 | C51 | H74 | 120.7° | 120.0° |
| C49 | C50 | C51 | H75 | 120.7° | 120.0° |
| C49 | C50 | C51 | C52 | 162.5° | 180.0° |
| C50 | C49 | C48 | H52 | 34.1° | 52.8° |
| C50 | C49 | H72 | H73 | 120.4° | 120.1° |
| C49 | C50 | H74 | H75 | 117.8° | 120.0° |
| C49 | C50 | C51 | H76 | 42.3° | 60.0° |
| C49 | C50 | C51 | H77 | 77.4° | 60.0° |
| C50 | C51 | C52 | H76 | 120.1° | 120.0° |
| C50 | C51 | C52 | H77 | 120.1° | 120.0° |
| C50 | C51 | C52 | C53 | 138.0° | 180.0° |
| C51 | C50 | C49 | H72 | 145.2° | 60.0° |
| C51 | C50 | H74 | H75 | 117.8° | 120.0° |
| C50 | C51 | H76 | H77 | 119.6° | 120.1° |
| C50 | C51 | C52 | H78 | 17.1° | 60.0° |
| C50 | C51 | C52 | H79 | 101.1° | 60.1° |
| C51 | C50 | C49 | H73 | 24.9° | 60.1° |
| C51 | C52 | C53 | H78 | 120.9° | 120.0° |
| C51 | C52 | C53 | H79 | 120.9° | 119.9° |
| C51 | C52 | C53 | C54 | 119.3° | 180.0° |
| C52 | C51 | C50 | H74 | 76.8° | 60.0° |
| C52 | C51 | C50 | H75 | 41.8° | 60.1° |
| C52 | C51 | H76 | H77 | 119.6° | 119.9° |
| C51 | C52 | H78 | H79 | 117.2° | 120.0° |
| C51 | C52 | C53 | H80 | 1.3° | 60.0° |
| C51 | C52 | C53 | H81 | 120.1° | 60.1° |
| C52 | C53 | C54 | H80 | 120.6° | 120.0° |
| C52 | C53 | C54 | H81 | 120.6° | 120.0° |
| C52 | C53 | C54 | C55 | 157.9° | 180.0° |
| C53 | C52 | C51 | H76 | 101.9° | 60.0° |
| C53 | C52 | C51 | H77 | 17.9° | 60.0° |
| C53 | C52 | H78 | H79 | 117.2° | 120.0° |
| C52 | C53 | H80 | H81 | 118.2° | 120.1° |
| C52 | C53 | C54 | H82 | 37.6° | 60.0° |
| C52 | C53 | C54 | H83 | 81.8° | 60.0° |
| C53 | C54 | C55 | H82 | 120.3° | 120.0° |
| C53 | C54 | C55 | H83 | 120.4° | 120.0° |
| C53 | C54 | C55 | C56 | 154.5° | 180.0° |
| C54 | C53 | C52 | H78 | 119.8° | 60.0° |
| C54 | C53 | C52 | H79 | 1.6° | 60.0° |
| C54 | C53 | H80 | H81 | 118.2° | 120.0° |
| C53 | C54 | H82 | H83 | 119.0° | 120.0° |
| C53 | C54 | C55 | H84 | 34.0° | 60.0° |
| C53 | C54 | C55 | H85 | 85.0° | 60.0° |
| C54 | C55 | C56 | H84 | 120.4° | 120.0° |
| C54 | C55 | C56 | H85 | 120.5° | 120.0° |
| C55 | C54 | C53 | H80 | 81.5° | 60.0° |
| C55 | C54 | C53 | H81 | 37.3° | 60.0° |
| C55 | C54 | H82 | H83 | 119.0° | 120.0° |
| C54 | C55 | H84 | H85 | 118.6° | 120.0° |
| C54 | C55 | C56 | H86 | 180.0° | 60.0° |
| C54 | C55 | C56 | H87 | 60.0° | 60.0° |
| C54 | C55 | C56 | H88 | 60.0° | 180.0° |
| C56 | C55 | C54 | H82 | 85.2° | 60.0° |
| C56 | C55 | C54 | H83 | 34.1° | 60.0° |
| C56 | C55 | H84 | H85 | 118.6° | 120.0° |
| C55 | C56 | H86 | H87 | 120.0° | 120.0° |
| C55 | C56 | H86 | H88 | 120.0° | 120.0° |
| C55 | C56 | H87 | H88 | 120.0° | 120.0° |
| H1 | C11 | C12 | H3 | 75.2° | 60.0° |
| H1 | C11 | C12 | H4 | 43.8° | 180.0° |
| H1 | C11 | C10 | H71 | 114.6° | 172.1° |
| H2 | C11 | C12 | H3 | 164.7° | 180.0° |
| H2 | C11 | C12 | H4 | 76.2° | 60.0° |
| H2 | C11 | C10 | H71 | 125.3° | 67.9° |
| H3 | C12 | C13 | H5 | 133.2° | 180.0° |
| H3 | C12 | C13 | H6 | 14.2° | 60.0° |
| H4 | C12 | C13 | H5 | 107.8° | 60.0° |
| H4 | C12 | C13 | H6 | 133.2° | 180.0° |
| H5 | C13 | C14 | H7 | 162.9° | 179.9° |
| H5 | C13 | C14 | H8 | 78.1° | 60.0° |
| H6 | C13 | C14 | H7 | 43.9° | 60.0° |
| H6 | C13 | C14 | H8 | 162.9° | 180.0° |
| H7 | C14 | C15 | H9 | 117.4° | 180.0° |
| H7 | C14 | C15 | H10 | 1.8° | 60.1° |
| H8 | C14 | C15 | H9 | 123.6° | 60.1° |
| H8 | C14 | C15 | H10 | 117.1° | NaN° |
| H9 | C15 | C16 | H11 | 79.0° | 180.0° |
| H9 | C15 | C16 | H12 | 40.0° | 60.0° |
| H10 | C15 | C16 | H11 | 161.8° | 60.0° |
| H10 | C15 | C16 | H12 | 79.2° | 179.9° |
| H11 | C16 | C17 | H13 | 146.4° | 180.0° |
| H11 | C16 | C17 | H14 | 27.3° | 60.0° |
| H12 | C16 | C17 | H13 | 94.5° | 59.9° |
| H12 | C16 | C17 | H14 | 146.4° | 179.9° |
| H13 | C17 | C18 | H15 | 163.6° | 180.0° |
| H13 | C17 | C18 | H16 | 44.4° | 60.0° |
| H14 | C17 | C18 | H15 | 77.3° | 60.0° |
| H14 | C17 | C18 | H16 | 163.5° | 179.9° |
| H15 | C18 | C19 | H17 | 179.0° | 180.0° |
| H15 | C18 | C19 | H18 | 59.7° | 60.0° |
| H16 | C18 | C19 | H17 | 61.8° | 60.0° |
| H16 | C18 | C19 | H18 | 178.9° | 179.9° |
| H19 | C23 | C24 | H21 | 31.9° | 65.0° |
| H20 | C23 | C24 | H21 | 88.3° | 55.0° |
| H21 | C24 | C25 | H22 | 57.7° | 55.0° |
| H21 | C24 | C25 | H23 | 177.9° | 65.0° |
| H24 | C31 | C32 | H26 | 174.0° | 48.8° |
| H24 | C31 | C32 | H27 | 67.4° | 71.2° |
| H25 | C31 | C32 | H26 | 53.3° | 71.2° |
| H25 | C31 | C32 | H27 | 171.8° | 168.8° |
| H28 | C34 | H29 | H30 | 120.0° | 120.0° |
| H31 | C35 | H32 | H33 | 119.9° | 120.0° |
| H34 | C36 | H35 | H36 | 120.0° | 120.0° |
| H37 | C40 | C41 | H39 | 172.2° | NaN° |
| H37 | C40 | C41 | H40 | 68.7° | 60.0° |
| H38 | C40 | C41 | H39 | 52.6° | 60.0° |
| H38 | C40 | C41 | H40 | 171.7° | 180.0° |
| H39 | C41 | C42 | H41 | 152.8° | 180.0° |
| H39 | C41 | C42 | H42 | 33.8° | 60.1° |
| H40 | C41 | C42 | H41 | 88.1° | 60.0° |
| H40 | C41 | C42 | H42 | 153.0° | 180.0° |
| H41 | C42 | C43 | H43 | 89.0° | 180.0° |
| H41 | C42 | C43 | H44 | 29.8° | 60.0° |
| H42 | C42 | C43 | H43 | 152.0° | 60.1° |
| H42 | C42 | C43 | H44 | 89.2° | 180.0° |
| H43 | C43 | C44 | H45 | 128.0° | NaN° |
| H43 | C43 | C44 | H46 | 8.9° | 60.0° |
| H44 | C43 | C44 | H45 | 113.2° | 60.0° |
| H44 | C43 | C44 | H46 | 127.7° | 180.0° |
| H45 | C44 | C45 | H47 | 82.5° | 180.0° |
| H45 | C44 | C45 | H48 | 36.7° | 60.0° |
| H46 | C44 | C45 | H47 | 158.5° | 60.0° |
| H46 | C44 | C45 | H48 | 82.4° | 180.0° |
| H47 | C45 | C46 | H49 | 161.9° | 180.0° |
| H47 | C45 | C46 | H50 | 41.9° | 60.0° |
| H48 | C45 | C46 | H49 | 78.9° | 60.0° |
| H48 | C45 | C46 | H50 | 161.1° | NaN° |
| H49 | C46 | C47 | H51 | 124.3° | 172.7° |
| H50 | C46 | C47 | H51 | 115.7° | 67.3° |
| H51 | C47 | C48 | H52 | 0.3° | 7.4° |
| H52 | C48 | C49 | H72 | 154.0° | 67.2° |
| H52 | C48 | C49 | H73 | 85.8° | 172.7° |
| H53 | C01 | H54 | H55 | 120.0° | 120.0° |
| H53 | C01 | C02 | H56 | 59.6° | 60.0° |
| H53 | C01 | C02 | H57 | 59.6° | 60.0° |
| H54 | C01 | C02 | H56 | 60.4° | 60.1° |
| H54 | C01 | C02 | H57 | 179.6° | 179.9° |
| H55 | C01 | C02 | H56 | 179.6° | 180.0° |
| H55 | C01 | C02 | H57 | 60.4° | 60.0° |
| H56 | C02 | C03 | H58 | 154.2° | 179.9° |
| H56 | C02 | C03 | H59 | 35.3° | 60.1° |
| H57 | C02 | C03 | H58 | 86.6° | 60.0° |
| H57 | C02 | C03 | H59 | 154.4° | 180.0° |
| H58 | C03 | C04 | H60 | 158.7° | 180.0° |
| H58 | C03 | C04 | H61 | 82.3° | 60.0° |
| H59 | C03 | C04 | H60 | 39.7° | 60.0° |
| H59 | C03 | C04 | H61 | 158.7° | 180.0° |
| H60 | C04 | C05 | H62 | 161.0° | 180.0° |
| H60 | C04 | C05 | H63 | 41.7° | 60.0° |
| H61 | C04 | C05 | H62 | 80.0° | 60.0° |
| H61 | C04 | C05 | H63 | 160.7° | 180.0° |
| H62 | C05 | C06 | H64 | 137.3° | 180.0° |
| H62 | C05 | C06 | H65 | 18.5° | 59.9° |
| H63 | C05 | C06 | H64 | 103.4° | 59.9° |
| H63 | C05 | C06 | H65 | 137.8° | 180.0° |
| H64 | C06 | C07 | H66 | 163.4° | 180.0° |
| H64 | C06 | C07 | H67 | 77.6° | 60.0° |
| H65 | C06 | C07 | H66 | 44.6° | 59.9° |
| H65 | C06 | C07 | H67 | 163.6° | 180.0° |
| H66 | C07 | C08 | H68 | 170.1° | 180.0° |
| H66 | C07 | C08 | H69 | 69.6° | 60.0° |
| H67 | C07 | C08 | H68 | 51.1° | 59.9° |
| H67 | C07 | C08 | H69 | 171.4° | 179.9° |
| H68 | C08 | C09 | H70 | 136.7° | 173.5° |
| H69 | C08 | C09 | H70 | 102.9° | 66.5° |
| H70 | C09 | C10 | H71 | 0.3° | 6.3° |
| H72 | C49 | C50 | H74 | 94.0° | 180.0° |
| H72 | C49 | C50 | H75 | 24.5° | 59.9° |
| H74 | C50 | C51 | H76 | 163.0° | 180.0° |
| H74 | C50 | C51 | H77 | 43.3° | 59.9° |
| H74 | C50 | C49 | H73 | 145.7° | 59.9° |
| H75 | C50 | C51 | H76 | 78.4° | 59.9° |
| H75 | C50 | C51 | H77 | 161.9° | 180.0° |
| H75 | C50 | C49 | H73 | 95.8° | 180.0° |
| H76 | C51 | C52 | H78 | 137.2° | 180.0° |
| H76 | C51 | C52 | H79 | 19.1° | 60.0° |
| H77 | C51 | C52 | H78 | 103.0° | 60.0° |
| H77 | C51 | C52 | H79 | 138.8° | 180.0° |
| H78 | C52 | C53 | H80 | 119.6° | 180.0° |
| H78 | C52 | C53 | H81 | 0.8° | 59.9° |
| H79 | C52 | C53 | H80 | 122.2° | 59.9° |
| H79 | C52 | C53 | H81 | 119.0° | 180.0° |
| H80 | C53 | C54 | H82 | 158.2° | 180.0° |
| H80 | C53 | C54 | H83 | 38.8° | 59.9° |
| H81 | C53 | C54 | H82 | 83.0° | 60.0° |
| H81 | C53 | C54 | H83 | 157.6° | 180.0° |
| H82 | C54 | C55 | H84 | 154.3° | NaN° |
| H82 | C54 | C55 | H85 | 35.3° | 60.0° |
| H83 | C54 | C55 | H84 | 86.3° | 59.9° |
| H83 | C54 | C55 | H85 | 154.6° | 179.9° |
| H84 | C55 | C56 | H86 | 59.6° | NaN° |
| H84 | C55 | C56 | H87 | 179.6° | 60.0° |
| H84 | C55 | C56 | H88 | 60.5° | 60.0° |
| H85 | C55 | C56 | H86 | 59.5° | 60.0° |
| H85 | C55 | C56 | H87 | 60.5° | 180.0° |
| H85 | C55 | C56 | H88 | 179.5° | 60.0° |
| H86 | C56 | H87 | H88 | 120.0° | 120.0° |
