J4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C81 | C78 | sing | 1.53Å | 1.51Å | |
| C78 | C77 | sing | 1.53Å | 1.54Å | |
| C78 | C79 | sing | 1.53Å | 1.54Å | |
| C77 | C76 | sing | 1.54Å | 1.55Å | |
| C76 | C73 | sing | 1.52Å | 1.52Å | |
| C79 | O80 | sing | 1.43Å | 1.42Å | |
| O80 | C73 | sing | 1.44Å | 1.39Å | |
| C75 | C74 | sing | 1.51Å | 1.58Å | |
| C73 | C74 | sing | 1.53Å | 1.50Å | |
| C73 | O72 | sing | 1.44Å | 1.61Å | |
| C74 | C03 | sing | 1.53Å | 1.51Å | |
| O72 | C04 | sing | 1.44Å | 1.49Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.57Å | 1.45Å | |
| C03 | C02 | sing | 1.51Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.58Å | |
| C02 | C10 | sing | 1.49Å | 1.49Å | |
| C02 | C06 | sing | 1.52Å | 1.48Å | |
| C10 | C09 | sing | 1.51Å | 1.44Å | |
| C05 | C06 | sing | 1.54Å | 1.55Å | |
| C06 | C07 | sing | 1.51Å | 1.57Å | |
| C09 | C08 | sing | 1.52Å | 1.44Å | |
| C07 | C08 | sing | 1.51Å | 1.56Å | |
| C07 | C15 | sing | 1.53Å | 1.53Å | |
| C08 | C11 | sing | 1.51Å | 1.61Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.50Å | 1.50Å | |
| C11 | C19 | sing | 1.54Å | 1.53Å | |
| C11 | C13 | sing | 1.51Å | 1.44Å | |
| C19 | C18 | sing | 1.52Å | 1.58Å | |
| C14 | C13 | doub | 1.29Å | 1.24Å | |
| C13 | C16 | sing | 1.52Å | 1.54Å | |
| C18 | C17 | sing | 1.52Å | 1.55Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C17 | O20 | sing | 1.43Å | 1.39Å | |
| O20 | CG1 | sing | 1.43Å | 1.44Å | |
| CG1 | C22 | sing | 1.53Å | 1.58Å | |
| O6C | C6C | sing | 1.43Å | 1.41Å | |
| C22 | C23 | sing | 1.53Å | 1.58Å | |
| O5C | C5C | sing | 1.43Å | 1.44Å | |
| O5C | C1C | sing | 1.43Å | 1.43Å | |
| C6C | C5C | sing | 1.53Å | 1.52Å | |
| O1C | C1C | sing | 1.43Å | 1.41Å | |
| O1C | C48 | sing | 1.43Å | 1.44Å | |
| C5C | C4C | sing | 1.53Å | 1.52Å | |
| O21 | C21 | sing | 1.43Å | 1.41Å | |
| C23 | C48 | sing | 1.53Å | 1.58Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| O31 | C31 | sing | 1.43Å | 1.41Å | |
| C1C | C2C | sing | 1.53Å | 1.51Å | |
| C31 | C21 | sing | 1.53Å | 1.54Å | |
| C31 | C41 | sing | 1.53Å | 1.53Å | |
| O41 | C41 | sing | 1.43Å | 1.41Å | |
| C21 | CF1 | sing | 1.53Å | 1.53Å | |
| O2C | C2C | sing | 1.43Å | 1.41Å | |
| O3C | C3C | sing | 1.43Å | 1.41Å | |
| C24 | O1B | sing | 1.43Å | 1.43Å | |
| CF1 | O11 | sing | 1.43Å | 1.41Å | |
| CF1 | O51 | sing | 1.43Å | 1.40Å | |
| C6B | O6B | sing | 1.43Å | 1.41Å | |
| C6B | C5B | sing | 1.53Å | 1.54Å | |
| O1B | C1B | sing | 1.43Å | 1.42Å | |
| C4C | C3C | sing | 1.53Å | 1.50Å | |
| C4C | O11 | sing | 1.43Å | 1.44Å | |
| C41 | C51 | sing | 1.53Å | 1.53Å | |
| C2C | C3C | sing | 1.53Å | 1.51Å | |
| C51 | O51 | sing | 1.43Å | 1.40Å | |
| C51 | C61 | sing | 1.53Å | 1.54Å | |
| O61 | C61 | sing | 1.43Å | 1.41Å | |
| C5B | O5B | sing | 1.43Å | 1.41Å | |
| C5B | C4B | sing | 1.53Å | 1.53Å | |
| O5B | C1B | sing | 1.43Å | 1.40Å | |
| C1B | C2B | sing | 1.53Å | 1.54Å | |
| C2B | O2B | sing | 1.43Å | 1.41Å | |
| C2B | C3B | sing | 1.53Å | 1.56Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C4B | C3B | sing | 1.53Å | 1.53Å | |
| C4B | O1 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C3B | O3B | sing | 1.43Å | 1.41Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.39Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.08Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.11Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.10Å | 1.10Å | |
| C08 | H14 | sing | 1.12Å | 1.10Å | |
| C10 | H15 | sing | 1.10Å | 1.10Å | |
| C10 | H16 | sing | 1.11Å | 1.10Å | |
| C18 | H17 | sing | 1.10Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| CG1 | H21 | sing | 1.09Å | 1.10Å | |
| CG1 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.10Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.11Å | 1.10Å | |
| C09 | H26 | sing | 1.11Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| C1B | H33 | sing | 1.09Å | 1.10Å | |
| C1C | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C2B | H42 | sing | 1.09Å | 1.10Å | |
| C2C | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C3B | H46 | sing | 1.09Å | 1.10Å | |
| C3C | H47 | sing | 1.09Å | 1.10Å | |
| C4 | H48 | sing | 1.09Å | 1.10Å | |
| C41 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H50 | sing | 1.09Å | 1.10Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C4B | H52 | sing | 1.09Å | 1.10Å | |
| C4C | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H54 | sing | 1.09Å | 1.10Å | |
| C51 | H55 | sing | 1.09Å | 1.10Å | |
| C5B | H56 | sing | 1.09Å | 1.10Å | |
| C5C | H57 | sing | 1.09Å | 1.10Å | |
| C6 | H58 | sing | 1.09Å | 1.10Å | |
| C6 | H59 | sing | 1.09Å | 1.10Å | |
| C61 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C6B | H62 | sing | 1.09Å | 1.10Å | |
| C6B | H63 | sing | 1.09Å | 1.10Å | |
| C6C | H64 | sing | 1.09Å | 1.10Å | |
| C6C | H65 | sing | 1.09Å | 1.10Å | |
| C74 | H66 | sing | 1.13Å | 1.10Å | |
| C75 | H67 | sing | 1.09Å | 1.10Å | |
| C75 | H68 | sing | 1.09Å | 1.10Å | |
| C75 | H69 | sing | 1.09Å | 1.10Å | |
| C76 | H70 | sing | 1.10Å | 1.10Å | |
| C76 | H71 | sing | 1.08Å | 1.10Å | |
| C77 | H72 | sing | 1.09Å | 1.10Å | |
| C77 | H73 | sing | 1.09Å | 1.10Å | |
| C78 | H74 | sing | 1.09Å | 1.10Å | |
| C79 | H75 | sing | 1.09Å | 1.10Å | |
| C79 | H76 | sing | 1.09Å | 1.10Å | |
| C81 | H77 | sing | 1.09Å | 1.10Å | |
| C81 | H78 | sing | 1.09Å | 1.10Å | |
| C81 | H79 | sing | 1.09Å | 1.10Å | |
| CF1 | H80 | sing | 1.09Å | 1.10Å | |
| O2 | H81 | sing | 0.97Å | 0.95Å | |
| O21 | H82 | sing | 0.97Å | 0.95Å | |
| O2B | H83 | sing | 0.97Å | 0.95Å | |
| O2C | H84 | sing | 0.97Å | 0.95Å | |
| O3 | H85 | sing | 0.97Å | 0.95Å | |
| O31 | H86 | sing | 0.97Å | 0.95Å | |
| O3B | H87 | sing | 0.97Å | 0.95Å | |
| O3C | H88 | sing | 0.97Å | 0.95Å | |
| O4 | H89 | sing | 0.97Å | 0.95Å | |
| O41 | H90 | sing | 0.97Å | 0.95Å | |
| O6 | H91 | sing | 0.97Å | 0.95Å | |
| O61 | H92 | sing | 0.97Å | 0.95Å | |
| O6B | H93 | sing | 0.97Å | 0.95Å | |
| O6C | H94 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C81 | C78 | C77 | 110.1° | 109.3° |
| C81 | C78 | C79 | 107.6° | 109.2° |
| C81 | C78 | H74 | 110.1° | 109.5° |
| C78 | C81 | H77 | 109.5° | 109.5° |
| C78 | C81 | H78 | 109.5° | 109.5° |
| C78 | C81 | H79 | 109.5° | 109.4° |
| C77 | C78 | C79 | 109.5° | 109.7° |
| C78 | C77 | C76 | 109.8° | 108.6° |
| C78 | C77 | H72 | 109.4° | 109.9° |
| C78 | C77 | H73 | 109.4° | 109.8° |
| C77 | C78 | H74 | 109.7° | 109.5° |
| C78 | C79 | O80 | 108.4° | 110.1° |
| C79 | C78 | H74 | 109.8° | 109.6° |
| C78 | C79 | H75 | 109.8° | 109.4° |
| C78 | C79 | H76 | 109.8° | 109.6° |
| C77 | C76 | C73 | 115.3° | 108.0° |
| C77 | C76 | H70 | 108.0° | 107.8° |
| C77 | C76 | H71 | 108.0° | 109.0° |
| C76 | C77 | H72 | 109.4° | 109.3° |
| C76 | C77 | H73 | 109.4° | 109.3° |
| C76 | C73 | O80 | 108.9° | 108.6° |
| C76 | C73 | C74 | 139.6° | 113.8° |
| C76 | C73 | O72 | 99.4° | 111.0° |
| C73 | C76 | H70 | 108.0° | 109.7° |
| C73 | C76 | H71 | 108.0° | 113.0° |
| C79 | O80 | C73 | 112.9° | 112.8° |
| O80 | C79 | H75 | 109.7° | 109.0° |
| O80 | C79 | H76 | 109.7° | 109.5° |
| O80 | C73 | C74 | 98.3° | 109.3° |
| O80 | C73 | O72 | 102.1° | 107.4° |
| C75 | C74 | C73 | 112.7° | 115.8° |
| C75 | C74 | C03 | 118.4° | 117.4° |
| C75 | C74 | H66 | 104.8° | 105.7° |
| C74 | C75 | H67 | 109.5° | 109.4° |
| C74 | C75 | H68 | 109.5° | 109.5° |
| C74 | C75 | H69 | 109.4° | 109.5° |
| C74 | C73 | O72 | 103.5° | 106.5° |
| C73 | C74 | C03 | 108.6° | 105.3° |
| C73 | C74 | H66 | 105.6° | 105.5° |
| C73 | O72 | C04 | 105.0° | 105.4° |
| C74 | C03 | C04 | 105.2° | 100.0° |
| C74 | C03 | C02 | 122.7° | 119.6° |
| C74 | C03 | H10 | 107.7° | 111.0° |
| C03 | C74 | H66 | 105.6° | 106.1° |
| O72 | C04 | C03 | 108.3° | 102.3° |
| O72 | C04 | C05 | 110.7° | 111.5° |
| O72 | C04 | H11 | 110.2° | 112.6° |
| C01 | C02 | C03 | 116.9° | 109.7° |
| C01 | C02 | C10 | 110.6° | 104.4° |
| C01 | C02 | C06 | 104.8° | 100.7° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C04 | C03 | C02 | 105.4° | 103.9° |
| C03 | C04 | C05 | 107.9° | 103.9° |
| C04 | C03 | H10 | 108.4° | 109.9° |
| C03 | C04 | H11 | 110.7° | 112.1° |
| C03 | C02 | C10 | 109.1° | 114.2° |
| C03 | C02 | C06 | 107.2° | 108.0° |
| C02 | C03 | H10 | 106.8° | 111.2° |
| C04 | C05 | C06 | 106.1° | 106.3° |
| C05 | C04 | H11 | 109.0° | 113.5° |
| C04 | C05 | H23 | 110.3° | 110.2° |
| C04 | C05 | H24 | 110.3° | 110.7° |
| C10 | C02 | C06 | 107.7° | 118.6° |
| C02 | C10 | C09 | 119.9° | 119.7° |
| C02 | C10 | H15 | 106.8° | 108.1° |
| C02 | C10 | H16 | 106.8° | 106.2° |
| C02 | C06 | C05 | 105.9° | 106.8° |
| C02 | C06 | C07 | 114.7° | 115.3° |
| C02 | C06 | H12 | 110.1° | 107.8° |
| C10 | C09 | C08 | 111.2° | 115.6° |
| C09 | C10 | H15 | 106.8° | 110.0° |
| C09 | C10 | H16 | 106.8° | 107.3° |
| C10 | C09 | H25 | 109.1° | 108.2° |
| C10 | C09 | H26 | 109.0° | 109.5° |
| C05 | C06 | C07 | 108.0° | 109.1° |
| C05 | C06 | H12 | 109.1° | 108.9° |
| C06 | C05 | H23 | 110.3° | 110.2° |
| C06 | C05 | H24 | 110.3° | 110.4° |
| C06 | C07 | C08 | 114.4° | 113.5° |
| C06 | C07 | C15 | 107.5° | 110.3° |
| C07 | C06 | H12 | 108.9° | 108.7° |
| C06 | C07 | H13 | 107.7° | 107.4° |
| C09 | C08 | C07 | 111.5° | 110.6° |
| C09 | C08 | C11 | 107.1° | 114.1° |
| C09 | C08 | H14 | 109.2° | 105.6° |
| C08 | C09 | H25 | 109.0° | 108.4° |
| C08 | C09 | H26 | 109.0° | 109.9° |
| C08 | C07 | C15 | 111.1° | 110.8° |
| C07 | C08 | C11 | 114.1° | 115.0° |
| C08 | C07 | H13 | 107.8° | 107.4° |
| C07 | C08 | H14 | 107.7° | 105.3° |
| C07 | C15 | C14 | 113.7° | 109.2° |
| C07 | C15 | H2 | 108.4° | 109.8° |
| C07 | C15 | H3 | 108.4° | 109.4° |
| C15 | C07 | H13 | 108.2° | 107.2° |
| C08 | C11 | C12 | 109.9° | 110.9° |
| C08 | C11 | C19 | 107.1° | 110.6° |
| C08 | C11 | C13 | 111.3° | 113.7° |
| C11 | C08 | H14 | 107.1° | 105.3° |
| C12 | C11 | C19 | 108.1° | 107.0° |
| C12 | C11 | C13 | 110.4° | 108.1° |
| C11 | C12 | H28 | 109.5° | 109.4° |
| C11 | C12 | H29 | 109.5° | 109.5° |
| C11 | C12 | H30 | 109.5° | 109.5° |
| C15 | C14 | C13 | 121.5° | 122.6° |
| C14 | C15 | H2 | 108.4° | 110.1° |
| C14 | C15 | H3 | 108.4° | 109.1° |
| C15 | C14 | H31 | 119.2° | 118.3° |
| C19 | C11 | C13 | 109.8° | 106.1° |
| C11 | C19 | C18 | 112.4° | 110.4° |
| C11 | C19 | H19 | 108.7° | 108.7° |
| C11 | C19 | H20 | 108.7° | 109.0° |
| C11 | C13 | C14 | 120.9° | 124.5° |
| C11 | C13 | C16 | 120.5° | 116.3° |
| C19 | C18 | C17 | 107.1° | 112.5° |
| C19 | C18 | H17 | 110.1° | 108.2° |
| C19 | C18 | H18 | 110.1° | 111.1° |
| C18 | C19 | H19 | 108.7° | 109.4° |
| C18 | C19 | H20 | 108.7° | 110.0° |
| C14 | C13 | C16 | 118.6° | 119.1° |
| C13 | C14 | H31 | 119.3° | 119.1° |
| C13 | C16 | C17 | 115.8° | 106.5° |
| C13 | C16 | H4 | 107.8° | 109.8° |
| C13 | C16 | H5 | 107.9° | 111.6° |
| C18 | C17 | C16 | 109.0° | 110.8° |
| C18 | C17 | O20 | 109.5° | 109.5° |
| C18 | C17 | H6 | 108.9° | 109.5° |
| C17 | C18 | H17 | 110.1° | 108.4° |
| C17 | C18 | H18 | 110.0° | 109.8° |
| C16 | C17 | O20 | 109.2° | 109.3° |
| C17 | C16 | H4 | 107.9° | 109.3° |
| C17 | C16 | H5 | 107.9° | 109.9° |
| C16 | C17 | H6 | 109.1° | 108.8° |
| C17 | O20 | CG1 | 113.5° | 114.0° |
| O20 | C17 | H6 | 111.2° | 108.9° |
| O20 | CG1 | C22 | 109.0° | 109.5° |
| O20 | CG1 | H21 | 109.6° | 109.5° |
| O20 | CG1 | H22 | 109.6° | 109.4° |
| CG1 | C22 | C23 | 109.8° | 109.5° |
| C22 | CG1 | H21 | 109.6° | 109.5° |
| C22 | CG1 | H22 | 109.6° | 109.5° |
| CG1 | C22 | H37 | 109.4° | 109.5° |
| CG1 | C22 | H38 | 109.4° | 109.5° |
| O6C | C6C | C5C | 109.6° | 109.5° |
| O6C | C6C | H64 | 109.4° | 109.5° |
| O6C | C6C | H65 | 109.4° | 109.4° |
| C6C | O6C | H94 | 109.5° | 114.0° |
| C22 | C23 | C48 | 108.1° | 109.5° |
| C22 | C23 | C24 | 109.1° | 109.5° |
| C23 | C22 | H37 | 109.4° | 109.5° |
| C23 | C22 | H38 | 109.4° | 109.5° |
| C22 | C23 | H39 | 109.7° | 109.4° |
| C5C | O5C | C1C | 114.9° | 114.1° |
| O5C | C5C | C6C | 109.2° | 109.5° |
| O5C | C5C | C4C | 109.0° | 109.4° |
| O5C | C5C | H57 | 110.4° | 109.5° |
| O5C | C1C | O1C | 109.3° | 109.5° |
| O5C | C1C | C2C | 109.8° | 109.4° |
| O5C | C1C | H34 | 109.5° | 109.5° |
| C6C | C5C | C4C | 109.6° | 109.5° |
| C6C | C5C | H57 | 109.2° | 109.5° |
| C5C | C6C | H64 | 109.4° | 109.5° |
| C5C | C6C | H65 | 109.4° | 109.5° |
| C1C | O1C | C48 | 115.1° | 114.0° |
| O1C | C1C | C2C | 110.0° | 109.5° |
| O1C | C1C | H34 | 109.8° | 109.5° |
| O1C | C48 | C23 | 109.1° | 109.5° |
| O1C | C48 | H50 | 109.5° | 109.5° |
| O1C | C48 | H51 | 109.5° | 109.4° |
| C5C | C4C | C3C | 110.5° | 109.2° |
| C5C | C4C | O11 | 113.6° | 109.6° |
| C5C | C4C | H53 | 105.4° | 109.5° |
| C4C | C5C | H57 | 109.3° | 109.4° |
| O21 | C21 | C31 | 109.3° | 109.6° |
| O21 | C21 | CF1 | 109.4° | 109.5° |
| O21 | C21 | H36 | 109.6° | 109.5° |
| C21 | O21 | H82 | 109.5° | 114.1° |
| C48 | C23 | C24 | 110.3° | 109.5° |
| C48 | C23 | H39 | 109.7° | 109.5° |
| C23 | C48 | H50 | 109.6° | 109.5° |
| C23 | C48 | H51 | 109.6° | 109.5° |
| C23 | C24 | O1B | 110.8° | 109.5° |
| C24 | C23 | H39 | 109.8° | 109.4° |
| C23 | C24 | H40 | 109.2° | 109.5° |
| C23 | C24 | H41 | 109.1° | 109.5° |
| O31 | C31 | C21 | 109.7° | 109.5° |
| O31 | C31 | C41 | 109.6° | 109.5° |
| O31 | C31 | H45 | 110.1° | 109.6° |
| C31 | O31 | H86 | 109.5° | 114.0° |
| C1C | C2C | O2C | 108.8° | 109.6° |
| C1C | C2C | C3C | 110.2° | 109.2° |
| C2C | C1C | H34 | 108.4° | 109.5° |
| C1C | C2C | H43 | 109.7° | 109.5° |
| C21 | C31 | C41 | 110.6° | 109.1° |
| C31 | C21 | CF1 | 112.6° | 109.2° |
| C31 | C21 | H36 | 107.9° | 109.6° |
| C21 | C31 | H45 | 108.3° | 109.6° |
| C31 | C41 | O41 | 109.6° | 109.5° |
| C31 | C41 | C51 | 108.8° | 109.2° |
| C41 | C31 | H45 | 108.4° | 109.6° |
| C31 | C41 | H49 | 108.9° | 109.6° |
| O41 | C41 | C51 | 109.6° | 109.5° |
| O41 | C41 | H49 | 110.7° | 109.5° |
| C41 | O41 | H90 | 109.5° | 114.0° |
| C21 | CF1 | O11 | 110.6° | 109.5° |
| C21 | CF1 | O51 | 109.6° | 109.4° |
| CF1 | C21 | H36 | 108.0° | 109.5° |
| C21 | CF1 | H80 | 108.2° | 109.4° |
| O2C | C2C | C3C | 107.1° | 109.5° |
| O2C | C2C | H43 | 111.2° | 109.5° |
| C2C | O2C | H84 | 109.5° | 114.0° |
| O3C | C3C | C4C | 111.6° | 109.6° |
| O3C | C3C | C2C | 106.2° | 109.5° |
| O3C | C3C | H47 | 110.5° | 109.6° |
| C3C | O3C | H88 | 109.5° | 114.0° |
| C24 | O1B | C1B | 113.7° | 114.1° |
| O1B | C24 | H40 | 109.1° | 109.5° |
| O1B | C24 | H41 | 109.2° | 109.4° |
| O11 | CF1 | O51 | 108.7° | 109.5° |
| CF1 | O11 | C4C | 113.1° | 114.0° |
| O11 | CF1 | H80 | 109.8° | 109.5° |
| CF1 | O51 | C51 | 113.9° | 114.1° |
| O51 | CF1 | H80 | 109.9° | 109.4° |
| O6B | C6B | C5B | 109.0° | 109.5° |
| O6B | C6B | H62 | 109.6° | 109.5° |
| O6B | C6B | H63 | 109.6° | 109.5° |
| C6B | O6B | H93 | 109.5° | 114.0° |
| C6B | C5B | O5B | 112.3° | 109.5° |
| C6B | C5B | C4B | 110.1° | 109.5° |
| C6B | C5B | H56 | 107.0° | 109.5° |
| C5B | C6B | H62 | 109.6° | 109.5° |
| C5B | C6B | H63 | 109.6° | 109.5° |
| O1B | C1B | O5B | 109.7° | 109.5° |
| O1B | C1B | C2B | 110.8° | 109.5° |
| O1B | C1B | H33 | 108.2° | 109.5° |
| C3C | C4C | O11 | 114.7° | 109.5° |
| C4C | C3C | C2C | 110.2° | 109.0° |
| C4C | C3C | H47 | 109.2° | 109.6° |
| C3C | C4C | H53 | 105.5° | 109.5° |
| O11 | C4C | H53 | 106.3° | 109.6° |
| C41 | C51 | O51 | 109.7° | 109.4° |
| C41 | C51 | C61 | 109.6° | 109.5° |
| C51 | C41 | H49 | 109.0° | 109.5° |
| C41 | C51 | H55 | 109.0° | 109.5° |
| C3C | C2C | H43 | 109.7° | 109.5° |
| C2C | C3C | H47 | 109.1° | 109.6° |
| O51 | C51 | C61 | 109.0° | 109.4° |
| O51 | C51 | H55 | 110.7° | 109.4° |
| C51 | C61 | O61 | 109.6° | 109.5° |
| C61 | C51 | H55 | 108.9° | 109.5° |
| C51 | C61 | H60 | 109.4° | 109.4° |
| C51 | C61 | H61 | 109.4° | 109.5° |
| O61 | C61 | H60 | 109.4° | 109.5° |
| O61 | C61 | H61 | 109.4° | 109.5° |
| C61 | O61 | H92 | 109.5° | 114.0° |
| O5B | C5B | C4B | 111.4° | 109.4° |
| C5B | O5B | C1B | 118.9° | 114.2° |
| O5B | C5B | H56 | 108.6° | 109.5° |
| C5B | C4B | C3B | 113.3° | 109.2° |
| C5B | C4B | O1 | 109.1° | 109.5° |
| C5B | C4B | H52 | 107.7° | 109.5° |
| C4B | C5B | H56 | 107.2° | 109.4° |
| O5B | C1B | C2B | 113.1° | 109.4° |
| O5B | C1B | H33 | 108.3° | 109.5° |
| C1B | C2B | O2B | 109.5° | 109.5° |
| C1B | C2B | C3B | 110.3° | 109.2° |
| C2B | C1B | H33 | 106.6° | 109.5° |
| C1B | C2B | H42 | 108.6° | 109.5° |
| O2B | C2B | C3B | 109.5° | 109.6° |
| O2B | C2B | H42 | 110.4° | 109.5° |
| C2B | O2B | H83 | 109.5° | 114.0° |
| C2B | C3B | C4B | 111.1° | 109.0° |
| C2B | C3B | O3B | 109.5° | 109.5° |
| C3B | C2B | H42 | 108.4° | 109.6° |
| C2B | C3B | H46 | 108.2° | 109.5° |
| O2 | C2 | C3 | 108.5° | 109.5° |
| O2 | C2 | C1 | 109.2° | 109.5° |
| O2 | C2 | H35 | 110.0° | 109.5° |
| C2 | O2 | H81 | 109.5° | 114.0° |
| C3B | C4B | O1 | 109.9° | 109.5° |
| C4B | C3B | O3B | 109.4° | 109.6° |
| C4B | C3B | H46 | 108.5° | 109.6° |
| C3B | C4B | H52 | 107.7° | 109.6° |
| C4B | O1 | C1 | 109.4° | 114.0° |
| O1 | C4B | H52 | 108.9° | 109.5° |
| C3 | C2 | C1 | 112.6° | 109.2° |
| C2 | C3 | O3 | 109.0° | 109.6° |
| C2 | C3 | C4 | 110.8° | 109.1° |
| C3 | C2 | H35 | 108.1° | 109.6° |
| C2 | C3 | H44 | 108.6° | 109.5° |
| C2 | C1 | O1 | 110.0° | 109.5° |
| C2 | C1 | O5 | 108.1° | 109.4° |
| C2 | C1 | H27 | 108.5° | 109.5° |
| C1 | C2 | H35 | 108.4° | 109.5° |
| O3B | C3B | H46 | 110.2° | 109.6° |
| C3B | O3B | H87 | 109.5° | 114.1° |
| O3 | C3 | C4 | 109.5° | 109.5° |
| O3 | C3 | H44 | 110.5° | 109.5° |
| C3 | O3 | H85 | 109.5° | 114.0° |
| C3 | C4 | O4 | 109.6° | 109.6° |
| C3 | C4 | C5 | 110.4° | 109.1° |
| C4 | C3 | H44 | 108.5° | 109.6° |
| C3 | C4 | H48 | 108.3° | 109.5° |
| O4 | C4 | C5 | 109.8° | 109.5° |
| O4 | C4 | H48 | 110.2° | 109.6° |
| C4 | O4 | H89 | 109.5° | 114.0° |
| O1 | C1 | O5 | 110.1° | 109.4° |
| O1 | C1 | H27 | 109.8° | 109.5° |
| C1 | O5 | C5 | 114.5° | 114.1° |
| O5 | C1 | H27 | 110.3° | 109.5° |
| C4 | C5 | O5 | 111.1° | 109.4° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C5 | C4 | H48 | 108.5° | 109.5° |
| C4 | C5 | H54 | 108.3° | 109.5° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| O5 | C5 | H54 | 110.3° | 109.5° |
| C5 | C6 | O6 | 109.4° | 109.5° |
| C6 | C5 | H54 | 108.5° | 109.5° |
| C5 | C6 | H58 | 109.5° | 109.4° |
| C5 | C6 | H59 | 109.5° | 109.5° |
| O6 | C6 | H58 | 109.5° | 109.5° |
| O6 | C6 | H59 | 109.5° | 109.5° |
| C6 | O6 | H91 | 109.5° | 114.0° |
| H2 | C15 | H3 | 109.5° | 109.3° |
| H4 | C16 | H5 | 109.5° | 109.7° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 104.5° |
| H17 | C18 | H18 | 109.5° | 106.8° |
| H19 | C19 | H20 | 109.5° | 109.3° |
| H21 | CG1 | H22 | 109.5° | 109.5° |
| H23 | C05 | H24 | 109.5° | 109.1° |
| H25 | C09 | H26 | 109.5° | 104.6° |
| H28 | C12 | H29 | 109.5° | 109.5° |
| H28 | C12 | H30 | 109.5° | 109.5° |
| H29 | C12 | H30 | 109.5° | 109.5° |
| H37 | C22 | H38 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H50 | C48 | H51 | 109.5° | 109.5° |
| H58 | C6 | H59 | 109.5° | 109.5° |
| H60 | C61 | H61 | 109.5° | 109.5° |
| H62 | C6B | H63 | 109.5° | 109.4° |
| H64 | C6C | H65 | 109.5° | 109.5° |
| H67 | C75 | H68 | 109.5° | 109.5° |
| H67 | C75 | H69 | 109.4° | 109.4° |
| H68 | C75 | H69 | 109.5° | 109.5° |
| H70 | C76 | H71 | 109.5° | 109.1° |
| H72 | C77 | H73 | 109.5° | 109.8° |
| H75 | C79 | H76 | 109.4° | 109.2° |
| H77 | C81 | H78 | 109.5° | 109.5° |
| H77 | C81 | H79 | 109.4° | 109.5° |
| H78 | C81 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C81 | C78 | C77 | C79 | 118.1° | 119.8° |
| C81 | C78 | C77 | H74 | 121.3° | 119.9° |
| C81 | C78 | C79 | H74 | 119.8° | 120.0° |
| C81 | C78 | C77 | C76 | 165.0° | 175.6° |
| C81 | C78 | C79 | O80 | 179.5° | 175.6° |
| C81 | C78 | C77 | H72 | 45.0° | 64.8° |
| C81 | C78 | C77 | H73 | 75.0° | 56.1° |
| C81 | C78 | C79 | H75 | 60.7° | 64.6° |
| C81 | C78 | C79 | H76 | 59.6° | 55.2° |
| C78 | C81 | H77 | H78 | 120.0° | 120.0° |
| C78 | C81 | H77 | H79 | 120.0° | 120.0° |
| C78 | C81 | H78 | H79 | 120.0° | 120.0° |
| C77 | C78 | C79 | H74 | 120.6° | 120.2° |
| C78 | C77 | C76 | H72 | 120.0° | 119.9° |
| C78 | C77 | C76 | H73 | 120.0° | 119.8° |
| C78 | C77 | C76 | C73 | 43.1° | 58.9° |
| C77 | C78 | C79 | O80 | 59.8° | 55.8° |
| C78 | C77 | C76 | H70 | 163.9° | 59.6° |
| C78 | C77 | C76 | H71 | 77.8° | 177.9° |
| C78 | C77 | H72 | H73 | 119.9° | 120.9° |
| C77 | C78 | C79 | H75 | 179.7° | 175.6° |
| C77 | C78 | C79 | H76 | 60.0° | 64.6° |
| C77 | C78 | C81 | H77 | 180.0° | 60.0° |
| C77 | C78 | C81 | H78 | 60.0° | 180.0° |
| C77 | C78 | C81 | H79 | 60.0° | 60.0° |
| C79 | C78 | C77 | C76 | 46.9° | 55.8° |
| C78 | C79 | O80 | H75 | 119.8° | 120.0° |
| C78 | C79 | O80 | H76 | 119.9° | 120.6° |
| C78 | C79 | O80 | C73 | 70.4° | 60.7° |
| C79 | C78 | C77 | H72 | 73.1° | 175.4° |
| C79 | C78 | C77 | H73 | 167.0° | 63.7° |
| C78 | C79 | H75 | H76 | 120.5° | 120.0° |
| C79 | C78 | C81 | H77 | 60.7° | 60.0° |
| C79 | C78 | C81 | H78 | 179.3° | 60.0° |
| C79 | C78 | C81 | H79 | 59.3° | 180.0° |
| C77 | C76 | C73 | H70 | 120.9° | 117.2° |
| C77 | C76 | C73 | H71 | 120.9° | 120.7° |
| C77 | C76 | C73 | O80 | 49.4° | 61.8° |
| C77 | C76 | C73 | C74 | 179.0° | 176.2° |
| C77 | C76 | C73 | O72 | 56.9° | 56.1° |
| C77 | C76 | H70 | H71 | 117.3° | 118.3° |
| C76 | C77 | H72 | H73 | 119.9° | 119.9° |
| C76 | C77 | C78 | H74 | 73.7° | 64.5° |
| C76 | C73 | O80 | C79 | 63.3° | 64.1° |
| C76 | C73 | O80 | C74 | 149.7° | 124.7° |
| C76 | C73 | O80 | O72 | 104.4° | 120.2° |
| C76 | C73 | C74 | C75 | 22.2° | 6.9° |
| C76 | C73 | C74 | O72 | 122.8° | 122.6° |
| C76 | C73 | C74 | C03 | 111.0° | 124.6° |
| C76 | C73 | O72 | C04 | 153.5° | 154.0° |
| C76 | C73 | C74 | H66 | 136.2° | 123.4° |
| C73 | C76 | H70 | H71 | 117.3° | 124.3° |
| C73 | C76 | C77 | H72 | 76.9° | 178.8° |
| C73 | C76 | C77 | H73 | 163.1° | 60.9° |
| C79 | O80 | C73 | C74 | 147.0° | 171.2° |
| C79 | O80 | C73 | O72 | 41.1° | 56.1° |
| O80 | C79 | C78 | H74 | 60.7° | 64.4° |
| O80 | C79 | H75 | H76 | 120.5° | 119.6° |
| O80 | C73 | C74 | C75 | 110.3° | 114.7° |
| O80 | C73 | C74 | O72 | 104.7° | 115.8° |
| O80 | C73 | C74 | C03 | 116.5° | 113.8° |
| O80 | C73 | O72 | C04 | 94.7° | 87.4° |
| O80 | C73 | C74 | H66 | 3.6° | 1.8° |
| O80 | C73 | C76 | H70 | 170.3° | 55.4° |
| O80 | C73 | C76 | H71 | 71.5° | 177.4° |
| C73 | O80 | C79 | H75 | 169.8° | 179.2° |
| C73 | O80 | C79 | H76 | 49.5° | 59.8° |
| C75 | C74 | C73 | C03 | 133.2° | 131.5° |
| C75 | C74 | C73 | H66 | 113.9° | 116.5° |
| C75 | C74 | C73 | O72 | 145.0° | 129.5° |
| C75 | C74 | C03 | H66 | 117.0° | 117.8° |
| C75 | C74 | C03 | C04 | 157.2° | 154.0° |
| C75 | C74 | C03 | C02 | 37.1° | 41.6° |
| C75 | C74 | C03 | H10 | 87.4° | 90.0° |
| C74 | C75 | H67 | H68 | 120.0° | 120.0° |
| C74 | C75 | H67 | H69 | 120.0° | 120.0° |
| C74 | C75 | H68 | H69 | 120.0° | 120.0° |
| C73 | C74 | C03 | H66 | 112.9° | 111.6° |
| C74 | C73 | O72 | C04 | 7.1° | 29.6° |
| C73 | C74 | C03 | C04 | 27.0° | 23.4° |
| C73 | C74 | C03 | C02 | 93.1° | 88.9° |
| C73 | C74 | C03 | H10 | 142.5° | 139.5° |
| C73 | C74 | C75 | H67 | 180.0° | 68.3° |
| C73 | C74 | C75 | H68 | 60.0° | 171.7° |
| C73 | C74 | C75 | H69 | 60.0° | 51.7° |
| C74 | C73 | C76 | H70 | 60.1° | 66.6° |
| C74 | C73 | C76 | H71 | 58.1° | 55.5° |
| O72 | C73 | C74 | C03 | 11.8° | 1.9° |
| C73 | O72 | C04 | C03 | 24.3° | 44.7° |
| C73 | O72 | C04 | C05 | 142.4° | 155.3° |
| C73 | O72 | C04 | H11 | 96.9° | 75.8° |
| O72 | C73 | C74 | H66 | 101.1° | 114.0° |
| O72 | C73 | C76 | H70 | 63.9° | 173.3° |
| O72 | C73 | C76 | H71 | 177.8° | 64.7° |
| C74 | C03 | C04 | O72 | 31.9° | 41.5° |
| C74 | C03 | C02 | C01 | 31.2° | 28.7° |
| C74 | C03 | C04 | C02 | 131.0° | 124.0° |
| C74 | C03 | C04 | H10 | 115.0° | 116.8° |
| C74 | C03 | C02 | H10 | 124.8° | 131.5° |
| C74 | C03 | C04 | C05 | 151.8° | 157.7° |
| C74 | C03 | C02 | C10 | 95.2° | 88.1° |
| C74 | C03 | C02 | C06 | 148.4° | 137.6° |
| C74 | C03 | C04 | H11 | 89.0° | 79.4° |
| C03 | C74 | C75 | H67 | 51.8° | 166.2° |
| C03 | C74 | C75 | H68 | 68.3° | 46.2° |
| C03 | C74 | C75 | H69 | 171.8° | 73.8° |
| O72 | C04 | C03 | C05 | 119.9° | 116.2° |
| O72 | C04 | C03 | H11 | 120.9° | 120.9° |
| O72 | C04 | C03 | C02 | 99.1° | 82.6° |
| O72 | C04 | C05 | H11 | 121.4° | 128.4° |
| O72 | C04 | C05 | C06 | 111.4° | 82.0° |
| O72 | C04 | C03 | H10 | 146.8° | 158.3° |
| O72 | C04 | C05 | H23 | 129.1° | 158.6° |
| O72 | C04 | C05 | H24 | 8.1° | 37.8° |
| C01 | C02 | C03 | C04 | 88.7° | 81.6° |
| C01 | C02 | C03 | C10 | 126.5° | 116.8° |
| C01 | C02 | C03 | C06 | 117.2° | 108.8° |
| C01 | C02 | C10 | C06 | 114.0° | 111.0° |
| C01 | C02 | C10 | C09 | 78.4° | 122.1° |
| C01 | C02 | C06 | C05 | 101.3° | 104.5° |
| C01 | C02 | C06 | C07 | 139.8° | 134.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 156.1° | 160.2° |
| C01 | C02 | C06 | H12 | 16.6° | 12.4° |
| C01 | C02 | C10 | H15 | 43.1° | 4.8° |
| C01 | C02 | C10 | H16 | 160.1° | 116.5° |
| C04 | C03 | C02 | H10 | 115.2° | 118.2° |
| C03 | C04 | C05 | H11 | 120.3° | 122.1° |
| C04 | C03 | C02 | C10 | 144.8° | 161.6° |
| C04 | C03 | C02 | C06 | 28.4° | 27.3° |
| C03 | C04 | C05 | C06 | 7.0° | 27.5° |
| C03 | C04 | C05 | H23 | 112.5° | 91.9° |
| C03 | C04 | C05 | H24 | 126.4° | 147.4° |
| C04 | C03 | C74 | H66 | 85.8° | 88.2° |
| C02 | C03 | C04 | C05 | 20.8° | 33.6° |
| C03 | C02 | C10 | C06 | 116.0° | 129.2° |
| C03 | C02 | C10 | C09 | 151.6° | 118.0° |
| C03 | C02 | C06 | C05 | 23.6° | 10.5° |
| C03 | C02 | C06 | C07 | 95.4° | 111.0° |
| C03 | C02 | C01 | H7 | 180.0° | 87.3° |
| C03 | C02 | C01 | H8 | 60.0° | 152.7° |
| C03 | C02 | C01 | H9 | 60.0° | 32.7° |
| C02 | C03 | C04 | H11 | 140.1° | 156.6° |
| C03 | C02 | C06 | H12 | 141.4° | 127.4° |
| C03 | C02 | C10 | H15 | 86.9° | 115.0° |
| C03 | C02 | C10 | H16 | 30.2° | 3.4° |
| C02 | C03 | C74 | H66 | 154.1° | 159.5° |
| C04 | C05 | C06 | C02 | 10.9° | 11.2° |
| C04 | C05 | C06 | H23 | 119.5° | 119.4° |
| C04 | C05 | C06 | H24 | 119.5° | 120.0° |
| C04 | C05 | C06 | C07 | 112.4° | 136.5° |
| C05 | C04 | C03 | H10 | 93.2° | 85.5° |
| C04 | C05 | C06 | H12 | 129.4° | 105.0° |
| C04 | C05 | H23 | H24 | 121.6° | 121.7° |
| C02 | C10 | C09 | H15 | 121.5° | 126.0° |
| C02 | C10 | C09 | H16 | 121.4° | 120.9° |
| C10 | C02 | C06 | C05 | 140.9° | 142.4° |
| C10 | C02 | C06 | C07 | 21.9° | 21.0° |
| C02 | C10 | C09 | C08 | 67.0° | 24.7° |
| C10 | C02 | C01 | H7 | 54.3° | 35.6° |
| C10 | C02 | C01 | H8 | 174.3° | 84.5° |
| C10 | C02 | C01 | H9 | 65.7° | 155.5° |
| C10 | C02 | C03 | H10 | 29.6° | 43.4° |
| C10 | C02 | C06 | H12 | 101.3° | 100.6° |
| C02 | C10 | H15 | H16 | 115.3° | 112.8° |
| C02 | C10 | C09 | H25 | 53.3° | 97.1° |
| C02 | C10 | C09 | H26 | 172.7° | 149.4° |
| C06 | C02 | C10 | C09 | 35.6° | 11.1° |
| C02 | C06 | C05 | C07 | 123.3° | 125.3° |
| C02 | C06 | C05 | H12 | 118.5° | 116.2° |
| C02 | C06 | C07 | H12 | 123.8° | 121.2° |
| C02 | C06 | C07 | C08 | 51.2° | 45.0° |
| C02 | C06 | C07 | C15 | 175.1° | 170.0° |
| C06 | C02 | C01 | H7 | 61.5° | 159.0° |
| C06 | C02 | C01 | H8 | 58.5° | 39.0° |
| C06 | C02 | C01 | H9 | 178.4° | 81.0° |
| C06 | C02 | C03 | H10 | 86.7° | 90.9° |
| C02 | C06 | C07 | H13 | 68.6° | 73.5° |
| C06 | C02 | C10 | H15 | 157.1° | 115.8° |
| C06 | C02 | C10 | H16 | 85.9° | 132.5° |
| C02 | C06 | C05 | H23 | 130.4° | 108.2° |
| C02 | C06 | C05 | H24 | 108.6° | 131.3° |
| C10 | C09 | C08 | H25 | 120.3° | 121.7° |
| C10 | C09 | C08 | H26 | 120.2° | 124.5° |
| C10 | C09 | C08 | C07 | 31.0° | 47.1° |
| C10 | C09 | C08 | C11 | 156.4° | 84.3° |
| C10 | C09 | C08 | H14 | 87.9° | 160.5° |
| C09 | C10 | H15 | H16 | 115.3° | 114.9° |
| C10 | C09 | H25 | H26 | 119.2° | 116.7° |
| C05 | C06 | C07 | H12 | 118.4° | 118.6° |
| C05 | C06 | C07 | C08 | 169.0° | 165.2° |
| C05 | C06 | C07 | C15 | 67.1° | 69.8° |
| C06 | C05 | C04 | H11 | 127.2° | 149.6° |
| C05 | C06 | C07 | H13 | 49.2° | 46.7° |
| C06 | C05 | H23 | H24 | 121.5° | 121.3° |
| C06 | C07 | C08 | C09 | 21.4° | 57.9° |
| C06 | C07 | C08 | C15 | 122.0° | 124.7° |
| C06 | C07 | C08 | H13 | 119.7° | 118.5° |
| C06 | C07 | C15 | H13 | 116.0° | 116.6° |
| C06 | C07 | C08 | C11 | 100.0° | 73.1° |
| C06 | C07 | C15 | C14 | 146.7° | 72.7° |
| C06 | C07 | C15 | H2 | 92.7° | 166.5° |
| C06 | C07 | C15 | H3 | 26.1° | 46.5° |
| C06 | C07 | C08 | H14 | 141.2° | 171.5° |
| C07 | C06 | C05 | H23 | 7.1° | 17.1° |
| C07 | C06 | C05 | H24 | 128.2° | 103.5° |
| C09 | C08 | C07 | C11 | 121.4° | 131.0° |
| C09 | C08 | C07 | H14 | 119.8° | 113.6° |
| C09 | C08 | C07 | C15 | 143.4° | 177.4° |
| C09 | C08 | C11 | H14 | 117.0° | 115.3° |
| C09 | C08 | C11 | C12 | 47.3° | 29.5° |
| C09 | C08 | C11 | C19 | 69.9° | 89.1° |
| C09 | C08 | C11 | C13 | 170.0° | 151.5° |
| C09 | C08 | C07 | H13 | 98.3° | 60.6° |
| C08 | C09 | C10 | H15 | 171.5° | 101.3° |
| C08 | C09 | C10 | H16 | 54.4° | 145.6° |
| C08 | C09 | H25 | H26 | 119.2° | 117.2° |
| C08 | C07 | C15 | H13 | 118.1° | 116.9° |
| C07 | C08 | C11 | H14 | 119.1° | 115.4° |
| C07 | C08 | C11 | C12 | 76.5° | 99.8° |
| C08 | C07 | C15 | C14 | 20.8° | 53.8° |
| C07 | C08 | C11 | C19 | 166.2° | 141.6° |
| C07 | C08 | C11 | C13 | 46.1° | 22.3° |
| C08 | C07 | C15 | H2 | 141.4° | 67.0° |
| C08 | C07 | C15 | H3 | 99.8° | 173.1° |
| C08 | C07 | C06 | H12 | 72.6° | 76.1° |
| C07 | C08 | C09 | H25 | 89.3° | 74.6° |
| C07 | C08 | C09 | H26 | 151.2° | 171.7° |
| C15 | C07 | C08 | C11 | 22.0° | 51.6° |
| C07 | C15 | C14 | H2 | 120.6° | 120.6° |
| C07 | C15 | C14 | H3 | 120.6° | 119.5° |
| C07 | C15 | C14 | C13 | 50.9° | 30.3° |
| C07 | C15 | H2 | H3 | 118.0° | 120.0° |
| C15 | C07 | C06 | H12 | 51.3° | 48.9° |
| C15 | C07 | C08 | H14 | 96.8° | 63.8° |
| C07 | C15 | C14 | H31 | 129.1° | 149.7° |
| C08 | C11 | C12 | C19 | 116.6° | 120.8° |
| C08 | C11 | C12 | C13 | 123.2° | 125.3° |
| C08 | C11 | C19 | C13 | 121.0° | 123.8° |
| C08 | C11 | C19 | C18 | 175.6° | 179.9° |
| C08 | C11 | C13 | C14 | 22.6° | 3.9° |
| C08 | C11 | C13 | C16 | 157.9° | 177.5° |
| C11 | C08 | C07 | H13 | 140.3° | 168.4° |
| C08 | C11 | C19 | H19 | 63.9° | 59.9° |
| C08 | C11 | C19 | H20 | 55.2° | 59.2° |
| C11 | C08 | C09 | H25 | 36.1° | 154.0° |
| C11 | C08 | C09 | H26 | 83.4° | 40.2° |
| C08 | C11 | C12 | H28 | 180.0° | 68.9° |
| C08 | C11 | C12 | H29 | 60.0° | 171.2° |
| C08 | C11 | C12 | H30 | 60.0° | 51.1° |
| C12 | C11 | C19 | C13 | 120.6° | 115.3° |
| C12 | C11 | C19 | C18 | 66.0° | 59.2° |
| C12 | C11 | C13 | C14 | 99.7° | 127.5° |
| C12 | C11 | C13 | C16 | 79.8° | 53.9° |
| C12 | C11 | C08 | H14 | 164.4° | 144.8° |
| C12 | C11 | C19 | H19 | 54.4° | 179.2° |
| C12 | C11 | C19 | H20 | 173.6° | 61.7° |
| C11 | C12 | H28 | H29 | 120.0° | 119.9° |
| C11 | C12 | H28 | H30 | 120.0° | 120.0° |
| C11 | C12 | H29 | H30 | 120.0° | 120.0° |
| C15 | C14 | C13 | C11 | 25.8° | 1.1° |
| C15 | C14 | C13 | H31 | 180.0° | 180.0° |
| C15 | C14 | C13 | C16 | 153.8° | 177.5° |
| C14 | C15 | H2 | H3 | 118.1° | 119.8° |
| C14 | C15 | C07 | H13 | 97.3° | 170.7° |
| C11 | C19 | C18 | H19 | 120.4° | 119.5° |
| C11 | C19 | C18 | H20 | 120.4° | 120.3° |
| C19 | C11 | C13 | C14 | 141.1° | 118.0° |
| C19 | C11 | C13 | C16 | 39.4° | 60.6° |
| C11 | C19 | C18 | C17 | 65.9° | 57.8° |
| C19 | C11 | C08 | H14 | 47.1° | 26.2° |
| C11 | C19 | C18 | H17 | 53.7° | 177.4° |
| C11 | C19 | C18 | H18 | 174.5° | 65.7° |
| C11 | C19 | H19 | H20 | 118.6° | 118.9° |
| C19 | C11 | C12 | H28 | 63.4° | 51.9° |
| C19 | C11 | C12 | H29 | 176.6° | 68.0° |
| C19 | C11 | C12 | H30 | 56.6° | 171.9° |
| C13 | C11 | C19 | C18 | 54.6° | 56.1° |
| C11 | C13 | C14 | C16 | 179.5° | 178.6° |
| C11 | C13 | C16 | C17 | 36.3° | 59.9° |
| C11 | C13 | C16 | H4 | 157.2° | 178.1° |
| C11 | C13 | C16 | H5 | 84.6° | 60.1° |
| C13 | C11 | C08 | H14 | 73.0° | 93.1° |
| C13 | C11 | C19 | H19 | 175.0° | 63.9° |
| C13 | C11 | C19 | H20 | 65.9° | 177.0° |
| C13 | C11 | C12 | H28 | 56.8° | 165.9° |
| C13 | C11 | C12 | H29 | 63.2° | 45.9° |
| C13 | C11 | C12 | H30 | 176.8° | 74.1° |
| C11 | C13 | C14 | H31 | 154.2° | 178.9° |
| C19 | C18 | C17 | H17 | 119.6° | 119.5° |
| C19 | C18 | C17 | H18 | 119.6° | 124.2° |
| C19 | C18 | C17 | C16 | 57.8° | 57.1° |
| C19 | C18 | C17 | O20 | 177.1° | 177.7° |
| C19 | C18 | C17 | H6 | 61.1° | 62.9° |
| C19 | C18 | H17 | H18 | 121.1° | 119.6° |
| C18 | C19 | H19 | H20 | 118.7° | 120.6° |
| C14 | C13 | C16 | C17 | 144.1° | 118.8° |
| C13 | C14 | C15 | H2 | 171.5° | 90.2° |
| C13 | C14 | C15 | H3 | 69.7° | 149.8° |
| C14 | C13 | C16 | H4 | 23.2° | 0.6° |
| C14 | C13 | C16 | H5 | 94.9° | 121.3° |
| C13 | C16 | C17 | C18 | 44.2° | 54.3° |
| C13 | C16 | C17 | H4 | 120.9° | 118.6° |
| C13 | C16 | C17 | H5 | 120.9° | 121.0° |
| C13 | C16 | C17 | O20 | 163.7° | 175.1° |
| C13 | C16 | H4 | H5 | 117.2° | 123.0° |
| C13 | C16 | C17 | H6 | 74.6° | 66.1° |
| C16 | C13 | C14 | H31 | 26.2° | 2.5° |
| C18 | C17 | C16 | O20 | 119.5° | 120.8° |
| C18 | C17 | C16 | H6 | 118.8° | 120.4° |
| C18 | C17 | O20 | H6 | 120.4° | 119.7° |
| C18 | C17 | O20 | CG1 | 160.8° | 148.5° |
| C18 | C17 | C16 | H4 | 165.1° | 172.9° |
| C18 | C17 | C16 | H5 | 76.7° | 66.7° |
| C17 | C18 | H17 | H18 | 121.1° | 118.2° |
| C17 | C18 | C19 | H19 | 173.6° | 61.7° |
| C17 | C18 | C19 | H20 | 54.5° | 178.1° |
| C16 | C17 | O20 | H6 | 120.4° | 118.7° |
| C16 | C17 | O20 | CG1 | 79.9° | 89.9° |
| C17 | C16 | H4 | H5 | 117.1° | 120.5° |
| C16 | C17 | C18 | H17 | 61.9° | 176.6° |
| C16 | C17 | C18 | H18 | 177.4° | 67.1° |
| C17 | O20 | CG1 | C22 | 158.2° | 180.0° |
| O20 | C17 | C16 | H4 | 75.4° | 66.3° |
| O20 | C17 | C16 | H5 | 42.8° | 54.1° |
| O20 | C17 | C18 | H17 | 57.5° | 62.8° |
| O20 | C17 | C18 | H18 | 63.3° | 53.5° |
| C17 | O20 | CG1 | H21 | 38.2° | 59.9° |
| C17 | O20 | CG1 | H22 | 81.9° | 60.1° |
| O20 | CG1 | C22 | H21 | 119.9° | 120.0° |
| O20 | CG1 | C22 | H22 | 119.9° | 119.9° |
| O20 | CG1 | C22 | C23 | 104.8° | 180.0° |
| CG1 | O20 | C17 | H6 | 40.4° | 28.7° |
| O20 | CG1 | H21 | H22 | 120.2° | 120.0° |
| O20 | CG1 | C22 | H37 | 15.2° | 60.0° |
| O20 | CG1 | C22 | H38 | 135.1° | 60.0° |
| CG1 | C22 | C23 | H37 | 120.1° | 120.0° |
| CG1 | C22 | C23 | H38 | 120.0° | 120.0° |
| CG1 | C22 | C23 | C48 | 162.3° | 175.0° |
| CG1 | C22 | C23 | C24 | 77.7° | 65.0° |
| C22 | CG1 | H21 | H22 | 120.2° | 120.1° |
| CG1 | C22 | H37 | H38 | 119.9° | 120.0° |
| CG1 | C22 | C23 | H39 | 42.6° | 55.0° |
| O6C | C6C | C5C | O5C | 28.4° | 65.1° |
| O6C | C6C | C5C | H64 | 120.0° | 120.0° |
| O6C | C6C | C5C | H65 | 120.0° | 119.9° |
| O6C | C6C | C5C | C4C | 147.8° | 174.9° |
| O6C | C6C | C5C | H57 | 92.5° | 55.0° |
| O6C | C6C | H64 | H65 | 119.9° | 120.0° |
| C22 | C23 | C48 | O1C | 89.8° | 65.8° |
| C22 | C23 | C48 | C24 | 119.2° | 120.0° |
| C22 | C23 | C48 | H39 | 119.7° | 120.0° |
| C22 | C23 | C24 | H39 | 120.3° | 119.9° |
| C22 | C23 | C24 | O1B | 160.4° | 175.9° |
| C23 | C22 | CG1 | H21 | 135.2° | 60.0° |
| C23 | C22 | CG1 | H22 | 15.1° | 60.0° |
| C23 | C22 | H37 | H38 | 119.8° | 120.0° |
| C22 | C23 | C24 | H40 | 79.4° | 55.8° |
| C22 | C23 | C24 | H41 | 40.2° | 64.1° |
| C22 | C23 | C48 | H50 | 150.3° | 174.2° |
| C22 | C23 | C48 | H51 | 30.1° | 54.2° |
| O5C | C5C | C6C | C4C | 119.4° | 120.0° |
| O5C | C5C | C6C | H57 | 120.9° | 120.0° |
| C5C | O5C | C1C | O1C | 171.8° | 58.8° |
| O5C | C5C | C4C | H57 | 120.8° | 120.0° |
| C5C | O5C | C1C | C2C | 67.5° | 61.1° |
| O5C | C5C | C4C | C3C | 40.3° | 57.6° |
| O5C | C5C | C4C | O11 | 170.9° | 177.5° |
| C5C | O5C | C1C | H34 | 51.4° | 178.8° |
| O5C | C5C | C4C | H53 | 73.2° | 62.3° |
| O5C | C5C | C6C | H64 | 148.4° | 54.9° |
| O5C | C5C | C6C | H65 | 91.6° | 175.0° |
| C1C | O5C | C5C | C6C | 95.8° | 178.9° |
| O5C | C1C | O1C | C2C | 120.6° | 119.9° |
| O5C | C1C | O1C | H34 | 120.2° | 120.0° |
| O5C | C1C | O1C | C48 | 179.3° | 71.3° |
| C1C | O5C | C5C | C4C | 24.0° | 61.2° |
| O5C | C1C | C2C | H34 | 119.6° | 120.0° |
| O5C | C1C | C2C | O2C | 77.2° | 177.5° |
| O5C | C1C | C2C | C3C | 39.9° | 57.6° |
| O5C | C1C | C2C | H43 | 160.9° | 62.3° |
| C1C | O5C | C5C | H57 | 144.1° | 58.8° |
| C6C | C5C | C4C | H57 | 119.7° | 120.0° |
| C6C | C5C | C4C | C3C | 159.8° | 177.6° |
| C6C | C5C | C4C | O11 | 69.6° | 62.5° |
| C6C | C5C | C4C | H53 | 46.3° | 57.7° |
| C5C | C6C | H64 | H65 | 119.9° | 120.0° |
| C5C | C6C | O6C | H94 | 180.0° | 180.0° |
| C1C | O1C | C48 | C23 | 167.8° | 175.4° |
| O1C | C1C | C2C | H34 | 120.1° | 120.0° |
| O1C | C1C | C2C | O2C | 43.0° | 57.6° |
| O1C | C1C | C2C | C3C | 160.2° | 62.4° |
| O1C | C1C | C2C | H43 | 78.9° | 177.7° |
| C1C | O1C | C48 | H50 | 47.8° | 55.4° |
| C1C | O1C | C48 | H51 | 72.3° | 64.6° |
| O1C | C48 | C23 | H50 | 119.9° | 120.0° |
| O1C | C48 | C23 | H51 | 119.9° | 119.9° |
| O1C | C48 | C23 | C24 | 150.9° | 174.2° |
| C48 | O1C | C1C | C2C | 58.8° | 168.8° |
| C48 | O1C | C1C | H34 | 60.5° | 48.7° |
| O1C | C48 | C23 | H39 | 29.8° | 54.3° |
| O1C | C48 | H50 | H51 | 120.2° | 119.9° |
| C5C | C4C | C3C | O3C | 53.4° | 62.9° |
| C5C | C4C | O11 | CF1 | 57.2° | 153.3° |
| C5C | C4C | C3C | O11 | 130.0° | 120.0° |
| C5C | C4C | C3C | H53 | 113.4° | 119.9° |
| C5C | C4C | O11 | H53 | 115.4° | 120.2° |
| C5C | C4C | C3C | C2C | 64.3° | 56.9° |
| C5C | C4C | C3C | H47 | 175.9° | 176.8° |
| C4C | C5C | C6C | H64 | 92.2° | 65.0° |
| C4C | C5C | C6C | H65 | 27.8° | 55.0° |
| O21 | C21 | C31 | O31 | 69.4° | 63.2° |
| O21 | C21 | C31 | CF1 | 121.8° | 120.0° |
| O21 | C21 | C31 | H36 | 119.1° | 120.2° |
| O21 | C21 | C31 | C41 | 169.6° | 176.9° |
| O21 | C21 | CF1 | H36 | 119.2° | 120.0° |
| O21 | C21 | CF1 | O11 | 67.6° | 62.4° |
| O21 | C21 | CF1 | O51 | 172.6° | 177.6° |
| O21 | C21 | C31 | H45 | 50.9° | 57.0° |
| O21 | C21 | CF1 | H80 | 52.7° | 57.7° |
| C48 | C23 | C24 | H39 | 121.0° | 120.0° |
| C48 | C23 | C24 | O1B | 80.9° | 64.1° |
| C48 | C23 | C22 | H37 | 42.3° | 65.0° |
| C48 | C23 | C22 | H38 | 77.6° | 55.0° |
| C48 | C23 | C24 | H40 | 39.2° | 175.9° |
| C48 | C23 | C24 | H41 | 158.9° | 55.9° |
| C23 | C48 | H50 | H51 | 120.2° | 120.1° |
| C23 | C24 | O1B | H40 | 120.2° | 120.1° |
| C23 | C24 | O1B | H41 | 120.2° | 120.0° |
| C23 | C24 | O1B | C1B | 111.9° | 175.0° |
| C24 | C23 | C22 | H37 | 162.2° | 55.1° |
| C24 | C23 | C22 | H38 | 42.3° | 175.0° |
| C23 | C24 | H40 | H41 | 119.4° | 120.0° |
| C24 | C23 | C48 | H50 | 31.0° | 54.2° |
| C24 | C23 | C48 | H51 | 89.1° | 65.8° |
| O31 | C31 | C21 | C41 | 121.1° | 119.9° |
| O31 | C31 | C21 | H45 | 120.3° | 120.2° |
| O31 | C31 | C41 | H45 | 120.3° | 120.2° |
| O31 | C31 | C41 | O41 | 68.3° | 63.3° |
| O31 | C31 | C21 | CF1 | 168.8° | 176.8° |
| O31 | C31 | C41 | C51 | 171.8° | 176.9° |
| O31 | C31 | C21 | H36 | 49.7° | 57.0° |
| O31 | C31 | C41 | H49 | 53.0° | 56.9° |
| C1C | C2C | O2C | C3C | 119.1° | 119.8° |
| C1C | C2C | O2C | H43 | 121.0° | 120.1° |
| C1C | C2C | C3C | O3C | 99.5° | 63.0° |
| C1C | C2C | C3C | C4C | 21.5° | 56.9° |
| C1C | C2C | C3C | H43 | 120.9° | 119.9° |
| C1C | C2C | C3C | H47 | 141.3° | 176.8° |
| C1C | C2C | O2C | H84 | 180.0° | 59.9° |
| C21 | C31 | C41 | H45 | 118.6° | 119.9° |
| C21 | C31 | C41 | O41 | 170.5° | 176.9° |
| C31 | C21 | CF1 | H36 | 119.0° | 119.9° |
| C31 | C21 | CF1 | O11 | 170.6° | 177.6° |
| C31 | C21 | CF1 | O51 | 50.8° | 57.5° |
| C21 | C31 | C41 | C51 | 50.6° | 57.0° |
| C21 | C31 | C41 | H49 | 68.1° | 62.9° |
| C31 | C21 | CF1 | H80 | 69.1° | 62.4° |
| C31 | C21 | O21 | H82 | 180.0° | 174.7° |
| C21 | C31 | O31 | H86 | 180.0° | 60.0° |
| C31 | C41 | O41 | C51 | 119.4° | 119.7° |
| C31 | C41 | O41 | H49 | 120.2° | 120.2° |
| C41 | C31 | C21 | CF1 | 47.7° | 57.0° |
| C31 | C41 | C51 | H49 | 118.7° | 120.0° |
| C31 | C41 | C51 | O51 | 59.0° | 57.6° |
| C31 | C41 | C51 | C61 | 178.7° | 177.6° |
| C41 | C31 | C21 | H36 | 71.3° | 62.9° |
| C31 | C41 | C51 | H55 | 62.3° | 62.3° |
| C41 | C31 | O31 | H86 | 58.4° | 179.5° |
| C31 | C41 | O41 | H90 | 180.0° | 60.0° |
| O41 | C41 | C51 | H49 | 121.4° | 120.1° |
| O41 | C41 | C51 | O51 | 178.9° | 177.5° |
| O41 | C41 | C51 | C61 | 61.4° | 62.5° |
| O41 | C41 | C31 | H45 | 51.9° | 56.9° |
| O41 | C41 | C51 | H55 | 57.6° | 57.6° |
| C21 | CF1 | O11 | O51 | 120.4° | 120.0° |
| C21 | CF1 | O11 | H80 | 119.4° | 120.0° |
| C21 | CF1 | O51 | H80 | 118.9° | 119.9° |
| C21 | CF1 | O11 | C4C | 135.0° | 169.3° |
| C21 | CF1 | O51 | C51 | 61.1° | 61.1° |
| CF1 | C21 | C31 | H45 | 70.9° | 63.0° |
| CF1 | C21 | O21 | H82 | 56.3° | 65.5° |
| O2C | C2C | C3C | O3C | 18.7° | 57.0° |
| O2C | C2C | C3C | C4C | 139.7° | 176.9° |
| O2C | C2C | C3C | H43 | 120.9° | 120.2° |
| O2C | C2C | C1C | H34 | 163.2° | 62.5° |
| O2C | C2C | C3C | H47 | 100.4° | 63.2° |
| O3C | C3C | C4C | C2C | 117.7° | 119.9° |
| O3C | C3C | C4C | H47 | 122.5° | 120.3° |
| O3C | C3C | C4C | O11 | 76.5° | 57.0° |
| O3C | C3C | C2C | H47 | 119.2° | 120.2° |
| O3C | C3C | C2C | H43 | 139.6° | 177.2° |
| O3C | C3C | C4C | H53 | 166.8° | 177.2° |
| C24 | O1B | C1B | O5B | 111.2° | 70.1° |
| C24 | O1B | C1B | C2B | 123.3° | 170.0° |
| C24 | O1B | C1B | H33 | 6.8° | 49.9° |
| O1B | C24 | C23 | H39 | 40.1° | 55.9° |
| O1B | C24 | H40 | H41 | 119.4° | 119.9° |
| O11 | CF1 | O51 | H80 | 120.2° | 120.0° |
| CF1 | O11 | C4C | C3C | 71.2° | 87.0° |
| O11 | CF1 | O51 | C51 | 177.9° | 178.9° |
| O11 | CF1 | C21 | H36 | 51.6° | 57.7° |
| CF1 | O11 | C4C | H53 | 172.6° | 33.0° |
| O51 | CF1 | O11 | C4C | 104.7° | 70.7° |
| CF1 | O51 | C51 | C41 | 66.5° | 61.1° |
| CF1 | O51 | C51 | C61 | 173.5° | 178.9° |
| O51 | CF1 | C21 | H36 | 68.2° | 62.4° |
| CF1 | O51 | C51 | H55 | 53.8° | 58.9° |
| O6B | C6B | C5B | H62 | 119.9° | 120.0° |
| O6B | C6B | C5B | H63 | 119.9° | 120.0° |
| O6B | C6B | C5B | O5B | 119.9° | 65.0° |
| O6B | C6B | C5B | C4B | 4.9° | 175.1° |
| O6B | C6B | C5B | H56 | 121.0° | 55.1° |
| O6B | C6B | H62 | H63 | 120.2° | 120.0° |
| C6B | C5B | O5B | C4B | 124.1° | 120.0° |
| C6B | C5B | O5B | H56 | 118.1° | 120.1° |
| C6B | C5B | C4B | H56 | 116.1° | 120.0° |
| C6B | C5B | O5B | C1B | 63.6° | 178.8° |
| C6B | C5B | C4B | C3B | 100.5° | 177.6° |
| C6B | C5B | C4B | O1 | 136.7° | 62.5° |
| C6B | C5B | C4B | H52 | 18.6° | 57.6° |
| C5B | C6B | H62 | H63 | 120.2° | 120.0° |
| C5B | C6B | O6B | H93 | 180.0° | 180.0° |
| O1B | C1B | O5B | C5B | 92.3° | 178.8° |
| O1B | C1B | O5B | C2B | 124.2° | 120.0° |
| O1B | C1B | O5B | H33 | 117.8° | 120.0° |
| O1B | C1B | C2B | H33 | 117.4° | 120.1° |
| O1B | C1B | C2B | O2B | 88.8° | 62.5° |
| O1B | C1B | C2B | C3B | 150.5° | 177.6° |
| C1B | O1B | C24 | H40 | 8.3° | 64.9° |
| C1B | O1B | C24 | H41 | 127.9° | 54.9° |
| O1B | C1B | C2B | H42 | 31.8° | 57.6° |
| C3C | C4C | O11 | H53 | 116.2° | 120.1° |
| C4C | C3C | C2C | H47 | 119.9° | 119.9° |
| C4C | C3C | C2C | H43 | 99.4° | 62.9° |
| C3C | C4C | C5C | H57 | 80.5° | 62.4° |
| C4C | C3C | O3C | H88 | 180.0° | 176.2° |
| O11 | C4C | C3C | C2C | 165.8° | 176.9° |
| O11 | C4C | C3C | H47 | 45.9° | 63.2° |
| O11 | C4C | C5C | H57 | 50.1° | 57.5° |
| C4C | O11 | CF1 | H80 | 15.6° | 49.3° |
| C41 | C51 | O51 | C61 | 120.0° | 120.0° |
| C41 | C51 | O51 | H55 | 120.3° | 120.0° |
| C41 | C51 | C61 | H55 | 119.1° | 120.1° |
| C41 | C51 | C61 | O61 | 49.9° | 175.0° |
| C51 | C41 | C31 | H45 | 68.0° | 62.9° |
| C41 | C51 | C61 | H60 | 70.1° | 55.0° |
| C41 | C51 | C61 | H61 | 169.9° | 64.9° |
| C51 | C41 | O41 | H90 | 60.6° | 179.7° |
| C3C | C2C | C1C | H34 | 79.7° | 177.6° |
| C2C | C3C | C4C | H53 | 49.1° | 63.0° |
| C3C | C2C | O2C | H84 | 60.9° | 179.7° |
| C2C | C3C | O3C | H88 | 59.9° | 56.7° |
| O51 | C51 | C61 | H55 | 120.9° | 120.0° |
| O51 | C51 | C61 | O61 | 169.9° | 65.0° |
| O51 | C51 | C41 | H49 | 59.7° | 62.4° |
| O51 | C51 | C61 | H60 | 49.9° | 175.0° |
| O51 | C51 | C61 | H61 | 70.1° | 55.0° |
| C51 | O51 | CF1 | H80 | 57.7° | 58.8° |
| C51 | C61 | O61 | H60 | 120.0° | 119.9° |
| C51 | C61 | O61 | H61 | 120.0° | 120.0° |
| C61 | C51 | C41 | H49 | 59.9° | 57.6° |
| C51 | C61 | H60 | H61 | 119.9° | 120.0° |
| C51 | C61 | O61 | H92 | 180.0° | 179.9° |
| O61 | C61 | C51 | H55 | 69.2° | 54.9° |
| O61 | C61 | H60 | H61 | 119.9° | 120.0° |
| O5B | C5B | C4B | H56 | 118.6° | 119.9° |
| C5B | O5B | C1B | C2B | 31.9° | 61.2° |
| O5B | C5B | C4B | C3B | 24.9° | 57.6° |
| O5B | C5B | C4B | O1 | 98.0° | 177.5° |
| C5B | O5B | C1B | H33 | 149.9° | 58.8° |
| O5B | C5B | C4B | H52 | 143.9° | 62.4° |
| O5B | C5B | C6B | H62 | 120.2° | 175.0° |
| O5B | C5B | C6B | H63 | 0.0° | 55.0° |
| C4B | C5B | O5B | C1B | 60.5° | 61.1° |
| C5B | C4B | C3B | C2B | 29.5° | 57.0° |
| C5B | C4B | C3B | O1 | 122.4° | 119.9° |
| C5B | C4B | C3B | H52 | 119.0° | 120.0° |
| C5B | C4B | O1 | H52 | 117.4° | 120.1° |
| C5B | C4B | C3B | O3B | 150.4° | 176.8° |
| C5B | C4B | O1 | C1 | 113.5° | 150.3° |
| C5B | C4B | C3B | H46 | 89.3° | 62.9° |
| C4B | C5B | C6B | H62 | 115.0° | 55.0° |
| C4B | C5B | C6B | H63 | 124.8° | 64.9° |
| O5B | C1B | C2B | H33 | 119.0° | 119.9° |
| O5B | C1B | C2B | O2B | 147.6° | 177.5° |
| O5B | C1B | C2B | C3B | 26.9° | 57.6° |
| O5B | C1B | C2B | H42 | 91.7° | 62.4° |
| C1B | O5B | C5B | H56 | 178.2° | 58.8° |
| C1B | C2B | O2B | C3B | 121.1° | 119.7° |
| C1B | C2B | O2B | H42 | 119.5° | 120.1° |
| C1B | C2B | C3B | H42 | 118.8° | 119.9° |
| C1B | C2B | C3B | C4B | 56.2° | 57.0° |
| C1B | C2B | C3B | O3B | 177.1° | 176.9° |
| C1B | C2B | C3B | H46 | 62.8° | 63.0° |
| C1B | C2B | O2B | H83 | 180.0° | 65.6° |
| O2B | C2B | C3B | H42 | 120.6° | 120.2° |
| O2B | C2B | C3B | C4B | 176.9° | 176.9° |
| O2B | C2B | C3B | O3B | 62.2° | 63.2° |
| O2B | C2B | C1B | H33 | 28.6° | 57.6° |
| O2B | C2B | C3B | H46 | 57.9° | 56.9° |
| C2B | C3B | C4B | O3B | 120.9° | 119.8° |
| C2B | C3B | C4B | H46 | 118.8° | 119.9° |
| C2B | C3B | C4B | O1 | 151.9° | 176.9° |
| C2B | C3B | O3B | H46 | 118.9° | 120.1° |
| C3B | C2B | C1B | H33 | 92.0° | 62.3° |
| C2B | C3B | C4B | H52 | 89.5° | 63.0° |
| C3B | C2B | O2B | H83 | 58.9° | 174.7° |
| C2B | C3B | O3B | H87 | 180.0° | 55.9° |
| O2 | C2 | C3 | C1 | 121.0° | 119.9° |
| O2 | C2 | C3 | H35 | 119.2° | 120.1° |
| O2 | C2 | C1 | H35 | 119.8° | 120.1° |
| O2 | C2 | C3 | O3 | 32.7° | 56.9° |
| O2 | C2 | C3 | C4 | 153.2° | 63.0° |
| O2 | C2 | C1 | O1 | 25.4° | 57.6° |
| O2 | C2 | C1 | O5 | 94.9° | 62.3° |
| O2 | C2 | C1 | H27 | 145.5° | 177.7° |
| O2 | C2 | C3 | H44 | 87.7° | 177.1° |
| C3B | C4B | O1 | H52 | 117.8° | 120.2° |
| C4B | C3B | O3B | H46 | 119.2° | 120.3° |
| C3B | C4B | O1 | C1 | 121.7° | 90.0° |
| C4B | C3B | C2B | H42 | 62.6° | 62.9° |
| C3B | C4B | C5B | H56 | 143.5° | 62.3° |
| C4B | C3B | O3B | H87 | 58.1° | 175.5° |
| C4B | O1 | C1 | C2 | 89.5° | 175.1° |
| O1 | C4B | C3B | O3B | 87.2° | 63.3° |
| C4B | O1 | C1 | O5 | 151.5° | 65.0° |
| C4B | O1 | C1 | H27 | 29.9° | 55.0° |
| O1 | C4B | C3B | H46 | 33.1° | 57.0° |
| O1 | C4B | C5B | H56 | 20.6° | 57.5° |
| C3 | C2 | C1 | H35 | 119.6° | 120.0° |
| C2 | C3 | O3 | C4 | 121.3° | 119.6° |
| C2 | C3 | O3 | H44 | 119.3° | 120.1° |
| C2 | C3 | C4 | H44 | 119.2° | 119.9° |
| C2 | C3 | C4 | O4 | 68.5° | 176.9° |
| C3 | C2 | C1 | O1 | 146.0° | 177.6° |
| C3 | C2 | C1 | O5 | 25.7° | 57.6° |
| C2 | C3 | C4 | C5 | 52.6° | 56.9° |
| C3 | C2 | C1 | H27 | 93.9° | 62.4° |
| C2 | C3 | C4 | H48 | 171.2° | 62.9° |
| C3 | C2 | O2 | H81 | 180.0° | 180.0° |
| C2 | C3 | O3 | H85 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 88.3° | 176.9° |
| C1 | C2 | C3 | C4 | 32.2° | 57.0° |
| C2 | C1 | O1 | O5 | 119.0° | 119.9° |
| C2 | C1 | O1 | H27 | 119.3° | 120.0° |
| C2 | C1 | O5 | H27 | 118.5° | 119.9° |
| C2 | C1 | O5 | C5 | 73.0° | 61.2° |
| C1 | C2 | C3 | H44 | 151.3° | 63.0° |
| C1 | C2 | O2 | H81 | 56.9° | 60.3° |
| O3B | C3B | C2B | H42 | 58.3° | 56.9° |
| O3B | C3B | C4B | H52 | 31.4° | 56.8° |
| O3 | C3 | C4 | H44 | 120.6° | 120.2° |
| O3 | C3 | C4 | O4 | 171.3° | 63.2° |
| O3 | C3 | C4 | C5 | 67.6° | 176.8° |
| O3 | C3 | C2 | H35 | 151.9° | 63.2° |
| O3 | C3 | C4 | H48 | 51.0° | 57.0° |
| C3 | C4 | O4 | C5 | 121.4° | 119.7° |
| C3 | C4 | O4 | H48 | 119.1° | 120.2° |
| C3 | C4 | C5 | H48 | 118.5° | 119.9° |
| C3 | C4 | C5 | O5 | 13.7° | 57.6° |
| C3 | C4 | C5 | C6 | 106.9° | 177.5° |
| C4 | C3 | C2 | H35 | 87.6° | 176.9° |
| C3 | C4 | C5 | H54 | 135.0° | 62.4° |
| C4 | C3 | O3 | H85 | 58.7° | 179.6° |
| C3 | C4 | O4 | H89 | 180.0° | 60.0° |
| O4 | C4 | C5 | H48 | 120.5° | 120.2° |
| O4 | C4 | C5 | O5 | 107.2° | 177.5° |
| O4 | C4 | C5 | C6 | 132.1° | 62.5° |
| O4 | C4 | C3 | H44 | 50.6° | 56.9° |
| O4 | C4 | C5 | H54 | 14.0° | 57.5° |
| O1 | C1 | O5 | H27 | 121.3° | 120.1° |
| O1 | C1 | O5 | C5 | 166.8° | 178.8° |
| O1 | C1 | C2 | H35 | 94.4° | 62.5° |
| C1 | O1 | C4B | H52 | 3.9° | 30.1° |
| C1 | O5 | C5 | C4 | 50.6° | 61.2° |
| C1 | O5 | C5 | C6 | 171.3° | 178.9° |
| O5 | C1 | C2 | H35 | 145.3° | 177.6° |
| C1 | O5 | C5 | H54 | 69.5° | 58.8° |
| C4 | C5 | O5 | C6 | 120.7° | 119.9° |
| C4 | C5 | O5 | H54 | 120.1° | 120.0° |
| C4 | C5 | C6 | H54 | 117.9° | 120.0° |
| C4 | C5 | C6 | O6 | 112.1° | 175.0° |
| C5 | C4 | C3 | H44 | 171.8° | 63.0° |
| C4 | C5 | C6 | H58 | 7.9° | 55.0° |
| C4 | C5 | C6 | H59 | 127.9° | 65.0° |
| C5 | C4 | O4 | H89 | 58.6° | 179.7° |
| O5 | C5 | C6 | H54 | 120.3° | 120.1° |
| O5 | C5 | C6 | O6 | 126.1° | 65.1° |
| C5 | O5 | C1 | H27 | 45.5° | 58.8° |
| O5 | C5 | C4 | H48 | 132.3° | 62.3° |
| O5 | C5 | C6 | H58 | 113.9° | 174.9° |
| O5 | C5 | C6 | H59 | 6.1° | 54.9° |
| C5 | C6 | O6 | H58 | 120.0° | 120.0° |
| C5 | C6 | O6 | H59 | 120.0° | 120.0° |
| C6 | C5 | C4 | H48 | 11.6° | 57.7° |
| C5 | C6 | H58 | H59 | 120.0° | 120.0° |
| C5 | C6 | O6 | H91 | 180.0° | 180.0° |
| O6 | C6 | C5 | H54 | 5.8° | 55.0° |
| O6 | C6 | H58 | H59 | 120.0° | 120.0° |
| H2 | C15 | C07 | H13 | 23.3° | 49.9° |
| H2 | C15 | C14 | H31 | 8.5° | 89.8° |
| H3 | C15 | C07 | H13 | 142.1° | 70.0° |
| H3 | C15 | C14 | H31 | 110.3° | 30.2° |
| H4 | C16 | C17 | H6 | 46.3° | 52.5° |
| H5 | C16 | C17 | H6 | 164.5° | 172.9° |
| H6 | C17 | C18 | H17 | 179.2° | 56.6° |
| H6 | C17 | C18 | H18 | 58.5° | 172.9° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 26.0° | 37.5° |
| H10 | C03 | C74 | H66 | 29.6° | 27.9° |
| H11 | C04 | C05 | H23 | 7.7° | 30.2° |
| H11 | C04 | C05 | H24 | 113.3° | 90.6° |
| H12 | C06 | C07 | H13 | 167.6° | 165.3° |
| H12 | C06 | C05 | H23 | 111.1° | 135.6° |
| H12 | C06 | C05 | H24 | 9.9° | 15.1° |
| H13 | C07 | C08 | H14 | 21.5° | 53.0° |
| H14 | C08 | C09 | H25 | 151.8° | 38.8° |
| H14 | C08 | C09 | H26 | 32.3° | 75.0° |
| H15 | C10 | C09 | H25 | 68.2° | 136.9° |
| H15 | C10 | C09 | H26 | 51.2° | 23.4° |
| H16 | C10 | C09 | H25 | 174.7° | 23.8° |
| H16 | C10 | C09 | H26 | 65.8° | 89.7° |
| H17 | C18 | C19 | H19 | 66.7° | 57.9° |
| H17 | C18 | C19 | H20 | 174.2° | 62.3° |
| H18 | C18 | C19 | H19 | 54.1° | 174.8° |
| H18 | C18 | C19 | H20 | 65.1° | 54.6° |
| H21 | CG1 | C22 | H37 | 104.7° | 60.0° |
| H21 | CG1 | C22 | H38 | 15.2° | 180.0° |
| H22 | CG1 | C22 | H37 | 135.2° | 179.9° |
| H22 | CG1 | C22 | H38 | 104.9° | 60.0° |
| H27 | C1 | C2 | H35 | 25.7° | 57.6° |
| H28 | C12 | H29 | H30 | 120.0° | 120.1° |
| H33 | C1B | C2B | H42 | 149.3° | 177.7° |
| H34 | C1C | C2C | H43 | 41.3° | 57.7° |
| H35 | C2 | C3 | H44 | 31.5° | 56.9° |
| H35 | C2 | O2 | H81 | 61.9° | 59.8° |
| H36 | C21 | C31 | H45 | 170.0° | 177.2° |
| H36 | C21 | CF1 | H80 | 171.9° | 177.7° |
| H36 | C21 | O21 | H82 | 62.0° | 54.5° |
| H37 | C22 | C23 | H39 | 77.4° | 175.0° |
| H38 | C22 | C23 | H39 | 162.7° | 65.0° |
| H39 | C23 | C24 | H40 | 160.3° | 64.1° |
| H39 | C23 | C24 | H41 | 80.1° | 175.9° |
| H39 | C23 | C48 | H50 | 90.1° | 65.8° |
| H39 | C23 | C48 | H51 | 149.8° | 174.2° |
| H42 | C2B | C3B | H46 | 178.4° | 177.1° |
| H42 | C2B | O2B | H83 | 60.5° | 54.5° |
| H43 | C2C | C3C | H47 | 20.5° | 56.9° |
| H43 | C2C | O2C | H84 | 59.0° | 60.1° |
| H44 | C3 | C4 | H48 | 69.6° | 177.2° |
| H44 | C3 | O3 | H85 | 60.7° | 60.1° |
| H45 | C31 | C41 | H49 | 173.3° | 177.1° |
| H45 | C31 | O31 | H86 | 60.8° | 60.3° |
| H46 | C3B | C4B | H52 | 151.6° | 177.1° |
| H46 | C3B | O3B | H87 | 61.1° | 64.2° |
| H47 | C3C | C4C | H53 | 70.7° | 56.9° |
| H47 | C3C | O3C | H88 | 58.3° | 63.5° |
| H48 | C4 | C5 | H54 | 106.5° | 177.7° |
| H48 | C4 | O4 | H89 | 60.9° | 60.2° |
| H49 | C41 | C51 | H55 | 179.0° | 177.7° |
| H49 | C41 | O41 | H90 | 59.8° | 60.2° |
| H52 | C4B | C5B | H56 | 97.5° | 177.7° |
| H53 | C4C | C5C | H57 | 166.0° | 177.8° |
| H54 | C5 | C6 | H58 | 125.8° | 65.0° |
| H54 | C5 | C6 | H59 | 114.2° | 175.0° |
| H55 | C51 | C61 | H60 | 170.8° | 65.0° |
| H55 | C51 | C61 | H61 | 50.8° | 175.0° |
| H56 | C5B | C6B | H62 | 1.1° | 65.0° |
| H56 | C5B | C6B | H63 | 119.0° | 175.1° |
| H57 | C5C | C6C | H64 | 27.5° | 175.0° |
| H57 | C5C | C6C | H65 | 147.5° | 65.0° |
| H58 | C6 | O6 | H91 | 60.0° | 60.0° |
| H59 | C6 | O6 | H91 | 60.0° | 60.0° |
| H60 | C61 | O61 | H92 | 60.0° | 60.0° |
| H61 | C61 | O61 | H92 | 60.0° | 60.0° |
| H62 | C6B | O6B | H93 | 60.1° | 59.9° |
| H63 | C6B | O6B | H93 | 60.1° | 60.0° |
| H64 | C6C | O6C | H94 | 60.0° | 60.0° |
| H65 | C6C | O6C | H94 | 60.0° | 60.1° |
| H66 | C74 | C75 | H67 | 65.6° | 48.1° |
| H66 | C74 | C75 | H68 | 174.4° | 71.9° |
| H66 | C74 | C75 | H69 | 54.4° | 168.1° |
| H67 | C75 | H68 | H69 | 120.0° | 120.0° |
| H70 | C76 | C77 | H72 | 43.9° | 60.3° |
| H70 | C76 | C77 | H73 | 76.0° | 179.4° |
| H71 | C76 | C77 | H72 | 162.2° | 58.0° |
| H71 | C76 | C77 | H73 | 42.3° | 62.3° |
| H72 | C77 | C78 | H74 | 166.3° | 55.1° |
| H73 | C77 | C78 | H74 | 46.3° | 176.0° |
| H74 | C78 | C79 | H75 | 59.1° | 55.4° |
| H74 | C78 | C79 | H76 | 179.4° | 175.1° |
| H74 | C78 | C81 | H77 | 58.9° | 179.9° |
| H74 | C78 | C81 | H78 | 61.1° | 60.1° |
| H74 | C78 | C81 | H79 | 178.9° | 59.9° |
| H77 | C81 | H78 | H79 | 120.0° | 120.0° |
