5X6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C41 | C17 | sing | 1.51Å | 1.54Å | |
| C42 | C13 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | doub | 1.38Å | 1.55Å | |
| C17 | C16 | sing | 1.40Å | 1.53Å | |
| C15 | C16 | doub | 1.38Å | 1.54Å | |
| C15 | C14 | sing | 1.40Å | 1.54Å | |
| C13 | C14 | doub | 1.37Å | 1.55Å | |
| C13 | C12 | sing | 1.41Å | 1.54Å | |
| C18 | C19 | sing | 1.40Å | 1.54Å | |
| C19 | C20 | doub | 1.38Å | 1.54Å | |
| C38 | C30 | sing | 1.51Å | 1.53Å | |
| O37 | C32 | sing | 1.43Å | 1.37Å | |
| C31 | C30 | sing | 1.50Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | doub | 1.36Å | 1.54Å | |
| C11 | C03 | sing | 1.42Å | 1.54Å | |
| C21 | C20 | sing | 1.40Å | 1.53Å | |
| C21 | C22 | doub | 1.38Å | 1.54Å | |
| C30 | C29 | doub | 1.32Å | 1.46Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.57Å | |
| C23 | C22 | sing | 1.40Å | 1.54Å | |
| C23 | C24 | doub | 1.38Å | 1.54Å | |
| C22 | C40 | sing | 1.51Å | 1.52Å | |
| C10 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | doub | 1.32Å | 1.45Å | |
| C03 | C04 | sing | 1.50Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C25 | C24 | sing | 1.40Å | 1.54Å | |
| C25 | C26 | doub | 1.37Å | 1.53Å | |
| C29 | C34 | sing | 1.50Å | 1.52Å | |
| C29 | C28 | sing | 1.42Å | 1.56Å | |
| C02 | C07 | sing | 1.50Å | 1.49Å | |
| C27 | C28 | doub | 1.36Å | 1.54Å | |
| C27 | C26 | sing | 1.41Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | C09 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C26 | C39 | sing | 1.51Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C06 | O08 | sing | 1.43Å | 1.38Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H41 | sing | 1.08Å | 1.08Å | |
| C21 | H43 | sing | 1.08Å | 1.08Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.08Å | 1.08Å | |
| C24 | H51 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C01 | H58 | sing | 1.09Å | 1.10Å | |
| C01 | H59 | sing | 1.09Å | 1.10Å | |
| C01 | H60 | sing | 1.09Å | 1.10Å | |
| C05 | H63 | sing | 1.09Å | 1.10Å | |
| C05 | 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 | |
| O08 | H68 | sing | 0.97Å | 0.95Å | |
| C09 | H69 | sing | 1.09Å | 1.10Å | |
| C09 | H70 | sing | 1.09Å | 1.10Å | |
| C09 | H71 | sing | 1.09Å | 1.10Å | |
| O37 | H72 | sing | 0.97Å | 0.95Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C41 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C42 | H77 | sing | 1.09Å | 1.10Å | |
| C42 | H78 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C17 | C18 | 114.1° | 120.0° |
| C41 | C17 | C16 | 111.5° | 120.0° |
| C17 | C41 | H73 | 109.5° | 109.5° |
| C17 | C41 | H74 | 109.4° | 109.5° |
| C17 | C41 | H75 | 109.4° | 109.5° |
| C42 | C13 | C14 | 112.8° | 120.0° |
| C42 | C13 | C12 | 114.5° | 120.0° |
| C13 | C42 | H76 | 109.5° | 109.5° |
| C13 | C42 | H77 | 109.5° | 109.5° |
| C13 | C42 | H78 | 109.5° | 109.5° |
| C18 | C17 | C16 | 109.1° | 120.0° |
| C17 | C18 | C19 | 111.6° | 120.0° |
| C17 | C18 | H2 | 124.2° | 120.0° |
| C17 | C16 | C15 | 113.1° | 120.0° |
| C17 | C16 | H4 | 123.4° | 120.0° |
| C16 | C15 | C14 | 108.9° | 120.0° |
| C15 | C16 | H4 | 123.5° | 120.0° |
| C16 | C15 | H21 | 125.5° | 120.0° |
| C15 | C14 | C13 | 114.3° | 120.0° |
| C15 | C14 | H19 | 122.9° | 120.0° |
| C14 | C15 | H21 | 125.5° | 120.0° |
| C14 | C13 | C12 | 107.2° | 120.0° |
| C13 | C14 | H19 | 122.9° | 120.0° |
| C13 | C12 | C11 | 116.2° | 120.0° |
| C13 | C12 | H14 | 121.9° | 120.0° |
| C18 | C19 | C20 | 112.9° | 120.0° |
| C19 | C18 | H2 | 124.2° | 120.0° |
| C18 | C19 | H7 | 123.5° | 120.0° |
| C19 | C20 | C21 | 109.5° | 120.0° |
| C20 | C19 | H7 | 123.5° | 120.0° |
| C19 | C20 | H17 | 125.3° | 120.0° |
| C38 | C30 | C31 | 112.1° | 118.2° |
| C38 | C30 | C29 | 111.8° | 118.2° |
| C30 | C38 | H55 | 109.5° | 109.4° |
| C30 | C38 | H56 | 109.5° | 109.4° |
| C30 | C38 | H57 | 109.5° | 109.5° |
| O37 | C32 | C31 | 108.7° | 109.8° |
| O37 | C32 | C33 | 108.6° | 109.6° |
| O37 | C32 | H31 | 110.8° | 109.6° |
| C32 | O37 | H72 | 109.5° | 114.0° |
| C30 | C31 | C32 | 112.5° | 110.2° |
| C31 | C30 | C29 | 119.1° | 123.6° |
| C30 | C31 | H32 | 108.7° | 109.4° |
| C30 | C31 | H33 | 108.7° | 109.4° |
| C31 | C32 | C33 | 112.0° | 108.5° |
| C31 | C32 | H31 | 108.6° | 109.6° |
| C32 | C31 | H32 | 108.7° | 109.4° |
| C32 | C31 | H33 | 108.7° | 109.3° |
| C12 | C11 | C03 | 117.1° | 120.1° |
| C12 | C11 | H12 | 121.4° | 120.0° |
| C11 | C12 | H14 | 121.9° | 120.0° |
| C11 | C03 | C02 | 115.0° | 118.1° |
| C11 | C03 | C04 | 122.2° | 118.2° |
| C03 | C11 | H12 | 121.5° | 120.0° |
| C20 | C21 | C22 | 113.3° | 120.0° |
| C21 | C20 | H17 | 125.2° | 120.0° |
| C20 | C21 | H43 | 123.4° | 120.0° |
| C21 | C22 | C23 | 109.8° | 120.0° |
| C21 | C22 | C40 | 114.7° | 120.0° |
| C22 | C21 | H43 | 123.3° | 120.0° |
| C30 | C29 | C34 | 122.7° | 123.9° |
| C30 | C29 | C28 | 113.7° | 118.2° |
| C01 | C02 | C03 | 114.4° | 118.2° |
| C01 | C02 | C07 | 113.5° | 118.1° |
| C02 | C01 | H58 | 109.5° | 109.5° |
| C02 | C01 | H59 | 109.5° | 109.5° |
| C02 | C01 | H60 | 109.4° | 109.5° |
| C32 | C33 | C34 | 116.0° | 108.5° |
| C32 | C33 | H26 | 107.8° | 109.6° |
| C32 | C33 | H27 | 107.8° | 109.8° |
| C33 | C32 | H31 | 108.1° | 109.7° |
| C22 | C23 | C24 | 114.8° | 120.0° |
| C23 | C22 | C40 | 115.8° | 120.0° |
| C22 | C23 | H49 | 122.6° | 120.0° |
| C23 | C24 | C25 | 107.6° | 120.0° |
| C24 | C23 | H49 | 122.6° | 120.0° |
| C23 | C24 | H51 | 126.2° | 120.0° |
| C22 | C40 | H28 | 109.5° | 109.5° |
| C22 | C40 | H29 | 109.5° | 109.5° |
| C22 | C40 | H30 | 109.5° | 109.5° |
| C10 | C04 | C03 | 113.9° | 109.3° |
| C10 | C04 | C05 | 106.2° | 109.4° |
| C10 | C04 | C09 | 111.0° | 109.3° |
| C04 | C10 | H9 | 109.5° | 109.5° |
| C04 | C10 | H10 | 109.5° | 109.4° |
| C04 | C10 | H11 | 109.5° | 109.5° |
| C02 | C03 | C04 | 122.1° | 123.7° |
| C03 | C02 | C07 | 119.9° | 123.7° |
| C03 | C04 | C05 | 108.4° | 110.2° |
| C03 | C04 | C09 | 108.7° | 109.3° |
| C33 | C34 | C29 | 110.4° | 110.0° |
| C33 | C34 | C35 | 106.6° | 109.4° |
| C33 | C34 | C36 | 110.1° | 109.4° |
| C34 | C33 | H26 | 107.8° | 109.6° |
| C34 | C33 | H27 | 107.8° | 109.6° |
| C24 | C25 | C26 | 113.3° | 120.0° |
| C25 | C24 | H51 | 126.2° | 120.0° |
| C24 | C25 | H53 | 123.3° | 120.0° |
| C25 | C26 | C27 | 108.2° | 119.9° |
| C25 | C26 | C39 | 113.5° | 120.0° |
| C26 | C25 | H53 | 123.3° | 120.1° |
| C34 | C29 | C28 | 114.9° | 118.0° |
| C29 | C34 | C35 | 110.9° | 109.4° |
| C29 | C34 | C36 | 108.8° | 109.3° |
| C29 | C28 | C27 | 110.0° | 120.0° |
| C29 | C28 | H39 | 125.0° | 120.0° |
| C02 | C07 | C06 | 111.3° | 110.2° |
| C02 | C07 | H66 | 109.0° | 109.4° |
| C02 | C07 | H67 | 109.0° | 109.4° |
| C28 | C27 | C26 | 115.9° | 120.0° |
| C27 | C28 | H39 | 125.0° | 120.0° |
| C28 | C27 | H41 | 122.1° | 120.0° |
| C27 | C26 | C39 | 114.7° | 120.0° |
| C26 | C27 | H41 | 122.1° | 120.0° |
| C05 | C04 | C09 | 108.5° | 109.3° |
| C04 | C05 | C06 | 114.5° | 108.5° |
| C04 | C05 | H63 | 108.2° | 109.6° |
| C04 | C05 | H64 | 108.2° | 109.6° |
| C04 | C09 | H69 | 109.5° | 109.5° |
| C04 | C09 | H70 | 109.5° | 109.5° |
| C04 | C09 | H71 | 109.5° | 109.4° |
| C35 | C34 | C36 | 110.1° | 109.4° |
| C34 | C35 | H23 | 109.5° | 109.5° |
| C34 | C35 | H24 | 109.5° | 109.5° |
| C34 | C35 | H25 | 109.4° | 109.5° |
| C34 | C36 | H45 | 109.5° | 109.5° |
| C34 | C36 | H46 | 109.5° | 109.5° |
| C34 | C36 | H47 | 109.5° | 109.5° |
| C07 | C06 | C05 | 111.8° | 108.7° |
| C07 | C06 | O08 | 108.9° | 109.7° |
| C07 | C06 | H65 | 108.3° | 109.6° |
| C06 | C07 | H66 | 109.0° | 109.5° |
| C06 | C07 | H67 | 109.0° | 109.1° |
| C26 | C39 | H36 | 109.5° | 109.5° |
| C26 | C39 | H37 | 109.5° | 109.5° |
| C26 | C39 | H38 | 109.5° | 109.5° |
| C05 | C06 | O08 | 109.4° | 109.6° |
| C06 | C05 | H63 | 108.2° | 109.7° |
| C06 | C05 | H64 | 108.2° | 109.6° |
| C05 | C06 | H65 | 108.0° | 109.6° |
| O08 | C06 | H65 | 110.5° | 109.6° |
| C06 | O08 | H68 | 109.5° | 114.0° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H9 | C10 | H11 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.5° | 109.4° |
| H23 | C35 | H25 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.6° |
| H28 | C40 | H29 | 109.5° | 109.5° |
| H28 | C40 | H30 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.4° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.2° |
| H36 | C39 | H37 | 109.4° | 109.5° |
| H36 | C39 | H38 | 109.4° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.4° |
| H45 | C36 | H46 | 109.5° | 109.5° |
| H45 | C36 | H47 | 109.4° | 109.5° |
| H46 | C36 | H47 | 109.5° | 109.4° |
| H55 | C38 | H56 | 109.5° | 109.5° |
| H55 | C38 | H57 | 109.4° | 109.5° |
| H56 | C38 | H57 | 109.4° | 109.5° |
| H58 | C01 | H59 | 109.5° | 109.4° |
| H58 | C01 | H60 | 109.5° | 109.5° |
| H59 | C01 | H60 | 109.5° | 109.5° |
| H63 | C05 | H64 | 109.5° | 109.8° |
| H66 | C07 | H67 | 109.5° | 109.2° |
| H69 | C09 | H70 | 109.4° | 109.5° |
| H69 | C09 | H71 | 109.5° | 109.5° |
| H70 | C09 | H71 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.4° |
| H73 | C41 | H75 | 109.5° | 109.5° |
| H74 | C41 | H75 | 109.5° | 109.4° |
| H76 | C42 | H77 | 109.5° | 109.5° |
| H76 | C42 | H78 | 109.5° | 109.5° |
| H77 | C42 | H78 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C17 | C18 | C16 | 125.4° | 179.7° |
| C41 | C17 | C16 | C15 | 83.1° | 0.3° |
| C41 | C17 | C18 | C19 | 9.8° | 0.3° |
| C41 | C17 | C18 | H2 | 170.2° | 179.8° |
| C41 | C17 | C16 | H4 | 96.9° | 179.8° |
| C17 | C41 | H73 | H74 | 120.0° | 120.0° |
| C17 | C41 | H73 | H75 | 120.0° | 120.1° |
| C17 | C41 | H74 | H75 | 119.9° | 120.0° |
| C42 | C13 | C14 | C15 | 17.4° | 0.0° |
| C42 | C13 | C14 | C12 | 126.9° | 180.0° |
| C42 | C13 | C12 | C11 | 65.5° | 0.0° |
| C42 | C13 | C12 | H14 | 114.5° | 180.0° |
| C42 | C13 | C14 | H19 | 162.6° | 180.0° |
| C13 | C42 | H76 | H77 | 120.0° | 120.0° |
| C13 | C42 | H76 | H78 | 120.0° | 120.0° |
| C13 | C42 | H77 | H78 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 149.9° | 180.0° |
| C17 | C18 | C19 | H2 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | C17 | C16 | H4 | 30.1° | 0.0° |
| C17 | C18 | C19 | H7 | 0.1° | 0.0° |
| C18 | C17 | C41 | H73 | 180.0° | 90.1° |
| C18 | C17 | C41 | H74 | 60.0° | 150.0° |
| C18 | C17 | C41 | H75 | 60.0° | 30.0° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 161.4° | 180.0° |
| C16 | C17 | C18 | C19 | 115.6° | 180.0° |
| C16 | C17 | C18 | H2 | 64.4° | 0.0° |
| C17 | C16 | C15 | H21 | 18.6° | 0.0° |
| C16 | C17 | C41 | H73 | 55.8° | 90.2° |
| C16 | C17 | C41 | H74 | 64.2° | 29.7° |
| C16 | C17 | C41 | H75 | 175.8° | 149.7° |
| C16 | C15 | C14 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 150.0° | 180.0° |
| C16 | C15 | C14 | H19 | 30.0° | 0.0° |
| C15 | C14 | C13 | H19 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 144.3° | 180.0° |
| C14 | C15 | C16 | H4 | 18.6° | 0.0° |
| C14 | C13 | C12 | C11 | 168.5° | 180.0° |
| C14 | C13 | C12 | H14 | 11.4° | 0.0° |
| C13 | C14 | C15 | H21 | 30.0° | 0.0° |
| C14 | C13 | C42 | H76 | 180.0° | 90.0° |
| C14 | C13 | C42 | H77 | 60.0° | 150.0° |
| C14 | C13 | C42 | H78 | 60.0° | 30.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | C03 | 143.0° | 179.3° |
| C13 | C12 | C11 | H12 | 37.0° | 0.6° |
| C12 | C13 | C14 | H19 | 35.7° | 0.1° |
| C12 | C13 | C42 | H76 | 57.1° | 90.0° |
| C12 | C13 | C42 | H77 | 177.1° | 30.0° |
| C12 | C13 | C42 | H78 | 62.9° | 150.0° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 177.2° | 180.0° |
| C18 | C19 | C20 | H17 | 2.8° | 0.1° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 169.2° | 180.0° |
| C20 | C19 | C18 | H2 | 0.1° | 0.0° |
| C19 | C20 | C21 | H43 | 10.8° | 0.0° |
| C38 | C30 | C31 | C29 | 133.3° | 179.8° |
| C38 | C30 | C31 | C32 | 174.1° | 162.8° |
| C38 | C30 | C29 | C34 | 164.5° | 179.5° |
| C38 | C30 | C29 | C28 | 49.5° | 0.3° |
| C38 | C30 | C31 | H32 | 65.5° | 76.8° |
| C38 | C30 | C31 | H33 | 53.6° | 42.8° |
| C30 | C38 | H55 | H56 | 120.0° | 120.0° |
| C30 | C38 | H55 | H57 | 120.0° | 120.0° |
| C30 | C38 | H56 | H57 | 120.0° | 120.0° |
| O37 | C32 | C31 | C30 | 169.6° | 169.7° |
| O37 | C32 | C31 | C33 | 120.0° | 119.8° |
| O37 | C32 | C31 | H31 | 120.7° | 120.5° |
| O37 | C32 | C33 | H31 | 120.3° | 120.4° |
| O37 | C32 | C33 | C34 | 170.2° | 171.9° |
| O37 | C32 | C33 | H26 | 68.8° | 68.4° |
| O37 | C32 | C33 | H27 | 49.3° | 52.1° |
| O37 | C32 | C31 | H32 | 70.0° | 49.4° |
| O37 | C32 | C31 | H33 | 49.1° | 70.2° |
| C30 | C31 | C32 | H32 | 120.4° | 120.3° |
| C30 | C31 | C32 | H33 | 120.5° | 120.1° |
| C30 | C31 | C32 | C33 | 49.6° | 49.9° |
| C31 | C30 | C29 | C34 | 31.2° | 0.6° |
| C31 | C30 | C29 | C28 | 177.1° | 179.6° |
| C30 | C31 | C32 | H31 | 69.8° | 69.9° |
| C30 | C31 | H32 | H33 | 118.6° | 119.7° |
| C31 | C30 | C38 | H55 | 180.0° | 1.4° |
| C31 | C30 | C38 | H56 | 60.0° | 121.4° |
| C31 | C30 | C38 | H57 | 60.0° | 118.6° |
| C32 | C31 | C30 | C29 | 40.8° | 17.3° |
| C31 | C32 | C33 | H31 | 119.6° | 119.7° |
| C31 | C32 | C33 | C34 | 50.2° | 68.2° |
| C31 | C32 | C33 | H26 | 171.1° | 51.5° |
| C31 | C32 | C33 | H27 | 70.8° | 172.0° |
| C32 | C31 | H32 | H33 | 118.6° | 119.6° |
| C31 | C32 | O37 | H72 | 180.0° | 60.9° |
| C12 | C11 | C03 | H12 | 180.0° | 180.0° |
| C12 | C11 | C03 | C02 | 135.6° | 57.2° |
| C12 | C11 | C03 | C04 | 34.8° | 122.7° |
| C11 | C03 | C02 | C01 | 16.6° | 0.5° |
| C11 | C03 | C04 | C10 | 38.2° | 42.6° |
| C11 | C03 | C02 | C04 | 170.4° | 179.9° |
| C11 | C03 | C02 | C07 | 156.6° | 179.9° |
| C11 | C03 | C04 | C05 | 156.2° | 162.8° |
| C11 | C03 | C04 | C09 | 86.1° | 77.1° |
| C03 | C11 | C12 | H14 | 37.0° | 0.7° |
| C20 | C21 | C22 | H43 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C20 | C21 | C22 | C40 | 47.0° | 0.0° |
| C21 | C20 | C19 | H7 | 2.7° | 0.1° |
| C21 | C22 | C23 | C40 | 132.0° | 180.0° |
| C21 | C22 | C23 | C24 | 147.5° | 180.0° |
| C22 | C21 | C20 | H17 | 10.8° | 0.0° |
| C21 | C22 | C40 | H28 | 180.0° | 90.0° |
| C21 | C22 | C40 | H29 | 60.0° | 150.0° |
| C21 | C22 | C40 | H30 | 60.0° | 30.0° |
| C21 | C22 | C23 | H49 | 32.5° | 0.0° |
| C30 | C29 | C34 | C33 | 27.7° | 17.4° |
| C30 | C29 | C34 | C28 | 145.5° | 179.8° |
| C30 | C29 | C28 | C27 | 116.8° | 56.9° |
| C30 | C29 | C34 | C35 | 145.6° | 137.5° |
| C30 | C29 | C34 | C36 | 93.2° | 102.7° |
| C29 | C30 | C31 | H32 | 161.3° | 103.0° |
| C29 | C30 | C31 | H33 | 79.6° | 137.4° |
| C30 | C29 | C28 | H39 | 63.2° | 123.0° |
| C29 | C30 | C38 | H55 | 43.3° | 178.8° |
| C29 | C30 | C38 | H56 | 76.7° | 58.8° |
| C29 | C30 | C38 | H57 | 163.3° | 61.2° |
| C01 | C02 | C03 | C07 | 140.0° | 179.6° |
| C01 | C02 | C03 | C04 | 173.0° | 179.6° |
| C01 | C02 | C07 | C06 | 179.0° | 163.0° |
| C02 | C01 | H58 | H59 | 120.0° | 120.0° |
| C02 | C01 | H58 | H60 | 120.0° | 120.0° |
| C02 | C01 | H59 | H60 | 120.0° | 120.0° |
| C01 | C02 | C07 | H66 | 60.7° | 42.6° |
| C01 | C02 | C07 | H67 | 58.7° | 77.1° |
| C32 | C33 | C34 | H26 | 121.0° | 119.7° |
| C32 | C33 | C34 | H27 | 120.9° | 119.9° |
| C32 | C33 | C34 | C29 | 37.2° | 49.9° |
| C32 | C33 | C34 | C35 | 157.7° | 170.0° |
| C32 | C33 | C34 | C36 | 83.0° | 70.2° |
| C32 | C33 | H26 | H27 | 117.0° | 120.6° |
| C33 | C32 | C31 | H32 | 170.0° | 70.4° |
| C33 | C32 | C31 | H33 | 70.9° | 170.0° |
| C33 | C32 | O37 | H72 | 57.9° | 180.0° |
| C22 | C23 | C24 | H49 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 155.1° | 180.0° |
| C23 | C22 | C40 | H28 | 50.4° | 90.0° |
| C23 | C22 | C40 | H29 | 69.7° | 30.0° |
| C23 | C22 | C40 | H30 | 170.4° | 150.0° |
| C23 | C22 | C21 | H43 | 0.4° | 0.0° |
| C22 | C23 | C24 | H51 | 24.9° | 0.0° |
| C24 | C23 | C22 | C40 | 15.5° | 0.0° |
| C23 | C24 | C25 | H51 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 150.0° | 180.0° |
| C23 | C24 | C25 | H53 | 30.0° | 0.1° |
| C22 | C40 | H28 | H29 | 120.0° | 120.0° |
| C22 | C40 | H28 | H30 | 120.0° | 120.0° |
| C22 | C40 | H29 | H30 | 120.0° | 120.0° |
| C40 | C22 | C21 | H43 | 133.0° | 180.0° |
| C40 | C22 | C23 | H49 | 164.5° | 180.0° |
| C10 | C04 | C03 | C02 | 152.1° | 137.3° |
| C10 | C04 | C03 | C05 | 118.0° | 120.2° |
| C10 | C04 | C03 | C09 | 124.3° | 119.7° |
| C10 | C04 | C05 | C09 | 119.4° | 119.7° |
| C10 | C04 | C05 | C06 | 168.0° | 170.0° |
| C04 | C10 | H9 | H10 | 120.0° | 119.9° |
| C04 | C10 | H9 | H11 | 120.0° | 120.1° |
| C04 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C04 | C05 | H63 | 47.3° | 50.3° |
| C10 | C04 | C05 | H64 | 71.3° | 70.3° |
| C10 | C04 | C09 | H69 | 180.0° | 60.0° |
| C10 | C04 | C09 | H70 | 60.0° | 180.0° |
| C10 | C04 | C09 | H71 | 60.0° | 60.1° |
| C02 | C03 | C04 | C05 | 34.1° | 17.1° |
| C02 | C03 | C04 | C09 | 83.6° | 103.0° |
| C03 | C02 | C07 | C06 | 38.7° | 16.6° |
| C02 | C03 | C11 | H12 | 44.4° | 122.8° |
| C03 | C02 | C01 | H58 | 180.0° | 177.9° |
| C03 | C02 | C01 | H59 | 60.0° | 57.9° |
| C03 | C02 | C01 | H60 | 60.0° | 62.1° |
| C03 | C02 | C07 | H66 | 158.9° | 137.1° |
| C03 | C02 | C07 | H67 | 81.6° | 103.3° |
| C04 | C03 | C02 | C07 | 32.9° | 0.0° |
| C03 | C04 | C05 | C09 | 117.9° | 120.1° |
| C03 | C04 | C05 | C06 | 45.3° | 49.8° |
| C03 | C04 | C10 | H9 | 180.0° | 55.2° |
| C03 | C04 | C10 | H10 | 60.0° | 175.2° |
| C03 | C04 | C10 | H11 | 60.0° | 64.9° |
| C04 | C03 | C11 | H12 | 145.2° | 57.3° |
| C03 | C04 | C05 | H63 | 75.5° | 69.9° |
| C03 | C04 | C05 | H64 | 166.0° | 169.6° |
| C03 | C04 | C09 | H69 | 54.0° | 59.7° |
| C03 | C04 | C09 | H70 | 174.0° | 60.3° |
| C03 | C04 | C09 | H71 | 66.0° | 179.7° |
| C33 | C34 | C29 | C35 | 117.9° | 120.1° |
| C33 | C34 | C29 | C36 | 120.9° | 120.1° |
| C33 | C34 | C29 | C28 | 173.2° | 162.8° |
| C33 | C34 | C35 | C36 | 119.4° | 119.7° |
| C33 | C34 | C35 | H23 | 180.0° | 64.5° |
| C33 | C34 | C35 | H24 | 60.0° | 55.5° |
| C33 | C34 | C35 | H25 | 60.0° | 175.5° |
| C34 | C33 | H26 | H27 | 117.0° | 120.4° |
| C34 | C33 | C32 | H31 | 69.5° | 51.5° |
| C33 | C34 | C36 | H45 | 180.0° | 179.7° |
| C33 | C34 | C36 | H46 | 60.0° | 60.3° |
| C33 | C34 | C36 | H47 | 60.0° | 59.7° |
| C24 | C25 | C26 | H53 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 159.1° | 180.0° |
| C24 | C25 | C26 | C39 | 72.3° | 0.1° |
| C25 | C24 | C23 | H49 | 24.9° | 0.0° |
| C25 | C26 | C27 | C28 | 135.9° | 180.0° |
| C25 | C26 | C27 | C39 | 127.8° | 180.0° |
| C25 | C26 | C39 | H36 | 180.0° | 90.0° |
| C25 | C26 | C39 | H37 | 60.0° | 30.0° |
| C25 | C26 | C39 | H38 | 60.0° | 150.0° |
| C25 | C26 | C27 | H41 | 44.1° | 0.0° |
| C26 | C25 | C24 | H51 | 30.0° | 0.1° |
| C34 | C29 | C28 | C27 | 94.6° | 123.3° |
| C29 | C34 | C35 | C36 | 120.5° | 119.7° |
| C29 | C34 | C35 | H23 | 59.8° | 175.0° |
| C29 | C34 | C35 | H24 | 179.8° | 65.0° |
| C29 | C34 | C35 | H25 | 60.2° | 55.0° |
| C29 | C34 | C33 | H26 | 158.1° | 69.8° |
| C29 | C34 | C33 | H27 | 83.7° | 169.8° |
| C34 | C29 | C28 | H39 | 85.5° | 56.8° |
| C29 | C34 | C36 | H45 | 58.9° | 59.8° |
| C29 | C34 | C36 | H46 | 61.1° | 60.2° |
| C29 | C34 | C36 | H47 | 178.9° | 179.8° |
| C29 | C28 | C27 | H39 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 180.0° | 179.9° |
| C28 | C29 | C34 | C35 | 68.9° | 42.7° |
| C28 | C29 | C34 | C36 | 52.3° | 77.1° |
| C29 | C28 | C27 | H41 | 0.0° | 0.1° |
| C02 | C07 | C06 | H66 | 120.3° | 120.4° |
| C02 | C07 | C06 | H67 | 120.3° | 120.1° |
| C02 | C07 | C06 | C05 | 49.3° | 49.4° |
| C02 | C07 | C06 | O08 | 170.3° | 169.3° |
| C07 | C02 | C01 | H58 | 37.4° | 1.8° |
| C07 | C02 | C01 | H59 | 157.4° | 121.7° |
| C07 | C02 | C01 | H60 | 82.6° | 118.2° |
| C02 | C07 | C06 | H65 | 69.5° | 70.3° |
| C02 | C07 | H66 | H67 | 119.1° | 119.7° |
| C28 | C27 | C26 | H41 | 180.0° | 180.0° |
| C28 | C27 | C26 | C39 | 8.1° | 0.0° |
| C27 | C26 | C39 | H36 | 54.9° | 90.0° |
| C27 | C26 | C39 | H37 | 174.9° | 150.0° |
| C27 | C26 | C39 | H38 | 65.1° | 30.0° |
| C26 | C27 | C28 | H39 | 0.1° | 0.2° |
| C27 | C26 | C25 | H53 | 20.9° | 0.0° |
| C04 | C05 | C06 | C07 | 56.0° | 68.1° |
| C04 | C05 | C06 | H63 | 120.7° | 119.7° |
| C04 | C05 | C06 | H64 | 120.8° | 119.7° |
| C04 | C05 | C06 | O08 | 176.7° | 172.1° |
| C05 | C04 | C10 | H9 | 60.8° | 175.9° |
| C05 | C04 | C10 | H10 | 59.2° | 64.1° |
| C05 | C04 | C10 | H11 | 179.2° | 55.8° |
| C04 | C05 | H63 | H64 | 117.8° | 120.5° |
| C04 | C05 | C06 | H65 | 63.0° | 51.7° |
| C05 | C04 | C09 | H69 | 63.6° | 179.7° |
| C05 | C04 | C09 | H70 | 56.4° | 60.3° |
| C05 | C04 | C09 | H71 | 176.4° | 59.6° |
| C09 | C04 | C05 | C06 | 72.6° | 70.3° |
| C09 | C04 | C10 | H9 | 56.9° | 64.5° |
| C09 | C04 | C10 | H10 | 176.9° | 55.5° |
| C09 | C04 | C10 | H11 | 63.1° | 175.5° |
| C09 | C04 | C05 | H63 | 166.6° | 170.0° |
| C09 | C04 | C05 | H64 | 48.1° | 49.4° |
| C04 | C09 | H69 | H70 | 120.0° | 120.0° |
| C04 | C09 | H69 | H71 | 120.0° | 120.0° |
| C04 | C09 | H70 | H71 | 120.0° | 119.9° |
| C34 | C35 | H23 | H24 | 120.0° | 120.0° |
| C34 | C35 | H23 | H25 | 120.0° | 120.0° |
| C34 | C35 | H24 | H25 | 120.0° | 120.0° |
| C35 | C34 | C33 | H26 | 81.4° | 50.4° |
| C35 | C34 | C33 | H27 | 36.8° | 70.0° |
| C35 | C34 | C36 | H45 | 62.8° | 60.0° |
| C35 | C34 | C36 | H46 | 177.2° | 180.0° |
| C35 | C34 | C36 | H47 | 57.2° | 60.0° |
| C36 | C34 | C35 | H23 | 60.7° | 55.3° |
| C36 | C34 | C35 | H24 | 59.4° | 175.2° |
| C36 | C34 | C35 | H25 | 179.3° | 64.8° |
| C36 | C34 | C33 | H26 | 38.0° | 170.1° |
| C36 | C34 | C33 | H27 | 156.1° | 49.7° |
| C34 | C36 | H45 | H46 | 120.0° | 120.0° |
| C34 | C36 | H45 | H47 | 120.0° | 120.0° |
| C34 | C36 | H46 | H47 | 120.0° | 120.0° |
| C07 | C06 | C05 | O08 | 120.6° | 119.9° |
| C07 | C06 | C05 | H65 | 119.0° | 119.8° |
| C07 | C06 | O08 | H65 | 118.9° | 120.4° |
| C07 | C06 | C05 | H63 | 64.7° | 51.7° |
| C07 | C06 | C05 | H64 | 176.8° | 172.3° |
| C06 | C07 | H66 | H67 | 119.2° | 119.4° |
| C07 | C06 | O08 | H68 | 180.0° | 60.8° |
| C26 | C39 | H36 | H37 | 120.0° | 120.0° |
| C26 | C39 | H36 | H38 | 120.0° | 120.0° |
| C26 | C39 | H37 | H38 | 120.0° | 120.0° |
| C39 | C26 | C27 | H41 | 171.9° | 180.0° |
| C39 | C26 | C25 | H53 | 107.7° | 180.0° |
| C05 | C06 | O08 | H65 | 118.8° | 120.4° |
| C06 | C05 | H63 | H64 | 117.7° | 120.5° |
| C05 | C06 | C07 | H66 | 169.6° | 169.9° |
| C05 | C06 | C07 | H67 | 70.9° | 70.7° |
| C05 | C06 | O08 | H68 | 57.6° | 179.9° |
| O08 | C06 | C05 | H63 | 55.9° | 68.2° |
| O08 | C06 | C05 | H64 | 62.6° | 52.4° |
| O08 | C06 | C07 | H66 | 69.4° | 70.3° |
| O08 | C06 | C07 | H67 | 50.0° | 49.2° |
| H2 | C18 | C19 | H7 | 179.9° | 179.9° |
| H4 | C16 | C15 | H21 | 161.4° | NaN° |
| H7 | C19 | C20 | H17 | 177.3° | 180.0° |
| H9 | C10 | H10 | H11 | 119.9° | 120.0° |
| H12 | C11 | C12 | H14 | 143.0° | 179.3° |
| H17 | C20 | C21 | H43 | 169.2° | 179.9° |
| H19 | C14 | C15 | H21 | 150.0° | 179.9° |
| H23 | C35 | H24 | H25 | 120.0° | 120.0° |
| H26 | C33 | C32 | H31 | 51.5° | 171.2° |
| H27 | C33 | C32 | H31 | 169.6° | 68.3° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
| H31 | C32 | C31 | H32 | 50.7° | 169.8° |
| H31 | C32 | C31 | H33 | 169.7° | 50.3° |
| H31 | C32 | O37 | H72 | 60.7° | 59.6° |
| H36 | C39 | H37 | H38 | 120.0° | 120.0° |
| H39 | C28 | C27 | H41 | 179.9° | 179.8° |
| H45 | C36 | H46 | H47 | 120.0° | 120.0° |
| H49 | C23 | C24 | H51 | 155.1° | 179.9° |
| H51 | C24 | C25 | H53 | 150.0° | 180.0° |
| H55 | C38 | H56 | H57 | 119.9° | 120.0° |
| H58 | C01 | H59 | H60 | 120.0° | 120.0° |
| H63 | C05 | C06 | H65 | 176.3° | 171.4° |
| H64 | C05 | C06 | H65 | 57.7° | 68.0° |
| H65 | C06 | C07 | H66 | 50.8° | 50.1° |
| H65 | C06 | C07 | H67 | 170.2° | 169.6° |
| H65 | C06 | O08 | H68 | 61.1° | 59.6° |
| H69 | C09 | H70 | H71 | 120.0° | 120.1° |
| H73 | C41 | H74 | H75 | 120.0° | 120.0° |
| H76 | C42 | H77 | H78 | 120.0° | 120.0° |
