I7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C77 | C76 | sing | 1.53Å | 1.47Å | |
| C77 | C78 | sing | 1.53Å | 1.46Å | |
| C76 | C73 | sing | 1.53Å | 1.53Å | |
| C81 | C78 | sing | 1.53Å | 1.59Å | |
| C78 | C79 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C73 | O72 | sing | 1.45Å | 1.30Å | |
| C73 | C74 | sing | 1.54Å | 1.57Å | |
| C73 | O80 | sing | 1.42Å | 1.45Å | |
| O72 | C04 | sing | 1.44Å | 1.56Å | |
| C09 | C10 | sing | 1.54Å | 1.68Å | |
| C09 | C08 | sing | 1.53Å | 1.48Å | |
| C74 | C03 | sing | 1.54Å | 1.47Å | |
| C74 | C75 | sing | 1.53Å | 1.50Å | |
| C79 | O80 | sing | 1.43Å | 1.46Å | |
| C10 | C02 | sing | 1.52Å | 1.46Å | |
| C02 | C06 | sing | 1.55Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.67Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | C06 | sing | 1.52Å | 1.60Å | |
| C07 | C15 | sing | 1.53Å | 1.59Å | |
| C11 | C08 | sing | 1.52Å | 1.70Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.50Å | 1.43Å | |
| C05 | C06 | sing | 1.52Å | 1.52Å | |
| C05 | C04 | sing | 1.55Å | 1.74Å | |
| C03 | C04 | sing | 1.57Å | 1.37Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.50Å | 1.50Å | |
| C14 | C13 | doub | 1.30Å | 1.73Å | |
| C13 | C16 | sing | 1.52Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| O20 | C17 | sing | 1.43Å | 1.41Å | |
| O20 | CG1 | sing | 1.43Å | 1.48Å | |
| C18 | C17 | sing | 1.53Å | 1.58Å | |
| CG1 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | C48 | sing | 1.53Å | 1.56Å | |
| C24 | O1B | sing | 1.43Å | 1.43Å | |
| O2C | C2C | sing | 1.43Å | 1.44Å | |
| O1B | C1B | sing | 1.43Å | 1.42Å | |
| C48 | O1C | sing | 1.43Å | 1.46Å | |
| C1C | C2C | sing | 1.53Å | 1.53Å | |
| C1C | O1C | sing | 1.43Å | 1.39Å | |
| C1C | O5C | sing | 1.43Å | 1.48Å | |
| C2C | C3C | sing | 1.53Å | 1.49Å | |
| O5C | C5C | sing | 1.43Å | 1.49Å | |
| C3C | O3C | sing | 1.43Å | 1.46Å | |
| C3C | C4C | sing | 1.53Å | 1.48Å | |
| C5C | C4C | sing | 1.53Å | 1.51Å | |
| C5C | C6C | sing | 1.53Å | 1.50Å | |
| O6C | C6C | sing | 1.43Å | 1.43Å | |
| C4C | O11 | sing | 1.43Å | 1.48Å | |
| O11 | CF1 | sing | 1.43Å | 1.41Å | |
| O21 | C21 | sing | 1.43Å | 1.43Å | |
| CF1 | C21 | sing | 1.53Å | 1.52Å | |
| CF1 | O51 | sing | 1.43Å | 1.46Å | |
| C21 | C31 | sing | 1.53Å | 1.50Å | |
| O51 | C51 | sing | 1.43Å | 1.51Å | |
| C31 | O31 | sing | 1.43Å | 1.44Å | |
| C31 | C41 | sing | 1.53Å | 1.47Å | |
| O61 | C61 | sing | 1.43Å | 1.40Å | |
| C51 | C41 | sing | 1.53Å | 1.51Å | |
| C51 | C61 | sing | 1.53Å | 1.50Å | |
| C41 | O41 | sing | 1.43Å | 1.45Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.08Å | 1.08Å | |
| C1B | H32 | sing | 1.09Å | 1.10Å | |
| C1B | H33 | sing | 1.09Å | 1.10Å | |
| C1B | H34 | sing | 1.09Å | 1.10Å | |
| C1C | 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 | |
| C2C | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C3C | H44 | sing | 1.09Å | 1.10Å | |
| C41 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C4C | H48 | sing | 1.09Å | 1.10Å | |
| C51 | H49 | sing | 1.09Å | 1.10Å | |
| C5C | H50 | sing | 1.09Å | 1.10Å | |
| C61 | H51 | sing | 1.09Å | 1.10Å | |
| C61 | H52 | sing | 1.09Å | 1.10Å | |
| C6C | H53 | sing | 1.09Å | 1.10Å | |
| C6C | H54 | sing | 1.09Å | 1.10Å | |
| C74 | H55 | sing | 1.09Å | 1.10Å | |
| C75 | H56 | sing | 1.09Å | 1.10Å | |
| C75 | H57 | sing | 1.09Å | 1.10Å | |
| C75 | H58 | sing | 1.09Å | 1.10Å | |
| C76 | H59 | sing | 1.09Å | 1.10Å | |
| C76 | H60 | sing | 1.09Å | 1.10Å | |
| C77 | H61 | sing | 1.09Å | 1.10Å | |
| C77 | H62 | sing | 1.09Å | 1.10Å | |
| C78 | H63 | sing | 1.09Å | 1.10Å | |
| C79 | H64 | sing | 1.09Å | 1.10Å | |
| C79 | H65 | sing | 1.09Å | 1.10Å | |
| C81 | H66 | sing | 1.09Å | 1.10Å | |
| C81 | H67 | sing | 1.09Å | 1.10Å | |
| C81 | H68 | sing | 1.09Å | 1.10Å | |
| CF1 | H69 | sing | 1.09Å | 1.10Å | |
| O21 | H70 | sing | 0.97Å | 0.95Å | |
| O2C | H71 | sing | 0.97Å | 0.95Å | |
| O31 | H72 | sing | 0.97Å | 0.95Å | |
| O3C | H73 | sing | 0.97Å | 0.95Å | |
| O41 | H74 | sing | 0.97Å | 0.95Å | |
| O61 | H75 | sing | 0.97Å | 0.95Å | |
| O6C | H76 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C76 | C77 | C78 | 114.0° | 109.0° |
| C77 | C76 | C73 | 110.5° | 109.3° |
| C77 | C76 | H59 | 109.2° | 109.5° |
| C77 | C76 | H60 | 109.2° | 109.5° |
| C76 | C77 | H61 | 108.3° | 109.5° |
| C76 | C77 | H62 | 108.3° | 109.6° |
| C77 | C78 | C81 | 107.9° | 109.5° |
| C77 | C78 | C79 | 114.7° | 109.2° |
| C78 | C77 | H61 | 108.3° | 109.5° |
| C78 | C77 | H62 | 108.3° | 109.5° |
| C77 | C78 | H63 | 109.8° | 109.5° |
| C76 | C73 | O72 | 109.7° | 110.2° |
| C76 | C73 | C74 | 111.3° | 109.5° |
| C76 | C73 | O80 | 109.4° | 110.8° |
| C73 | C76 | H59 | 109.2° | 109.5° |
| C73 | C76 | H60 | 109.2° | 109.5° |
| C81 | C78 | C79 | 107.4° | 109.5° |
| C81 | C78 | H63 | 108.1° | 109.6° |
| C78 | C81 | H66 | 109.5° | 109.5° |
| C78 | C81 | H67 | 109.4° | 109.4° |
| C78 | C81 | H68 | 109.4° | 109.4° |
| C78 | C79 | O80 | 113.8° | 109.3° |
| C79 | C78 | H63 | 108.7° | 109.5° |
| C78 | C79 | H64 | 108.4° | 109.5° |
| C78 | C79 | H65 | 108.4° | 109.5° |
| C01 | C02 | C10 | 103.7° | 110.5° |
| C01 | C02 | C06 | 106.1° | 110.3° |
| C01 | C02 | C03 | 106.6° | 110.5° |
| C02 | C01 | H7 | 109.5° | 109.4° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C12 | C11 | C08 | 108.6° | 108.2° |
| C12 | C11 | C19 | 109.4° | 108.2° |
| C12 | C11 | C13 | 108.5° | 107.7° |
| C11 | C12 | H27 | 109.5° | 109.5° |
| C11 | C12 | H28 | 109.4° | 109.5° |
| C11 | C12 | H29 | 109.5° | 109.5° |
| O72 | C73 | C74 | 105.5° | 105.2° |
| O72 | C73 | O80 | 109.2° | 110.2° |
| C73 | O72 | C04 | 106.0° | 104.9° |
| C74 | C73 | O80 | 111.7° | 110.8° |
| C73 | C74 | C03 | 105.6° | 104.1° |
| C73 | C74 | C75 | 110.2° | 110.5° |
| C73 | C74 | H55 | 109.8° | 110.5° |
| C73 | O80 | C79 | 109.6° | 114.3° |
| O72 | C04 | C05 | 111.6° | 109.3° |
| O72 | C04 | C03 | 107.0° | 104.7° |
| O72 | C04 | H11 | 110.6° | 112.0° |
| C10 | C09 | C08 | 110.6° | 111.7° |
| C09 | C10 | C02 | 114.3° | 107.7° |
| C09 | C10 | H15 | 108.3° | 110.5° |
| C09 | C10 | H16 | 108.2° | 108.8° |
| C10 | C09 | H25 | 109.2° | 109.0° |
| C10 | C09 | H26 | 109.2° | 109.0° |
| C09 | C08 | C07 | 109.0° | 111.7° |
| C09 | C08 | C11 | 111.4° | 109.4° |
| C09 | C08 | H14 | 108.2° | 108.3° |
| C08 | C09 | H25 | 109.2° | 109.1° |
| C08 | C09 | H26 | 109.2° | 109.1° |
| C03 | C74 | C75 | 109.2° | 110.1° |
| C74 | C03 | C02 | 113.2° | 111.0° |
| C74 | C03 | C04 | 106.3° | 103.9° |
| C74 | C03 | H10 | 110.6° | 112.9° |
| C03 | C74 | H55 | 111.2° | 110.8° |
| C75 | C74 | H55 | 110.7° | 110.6° |
| C74 | C75 | H56 | 109.5° | 109.4° |
| C74 | C75 | H57 | 109.5° | 109.5° |
| C74 | C75 | H58 | 109.5° | 109.4° |
| O80 | C79 | H64 | 108.4° | 109.5° |
| O80 | C79 | H65 | 108.4° | 109.5° |
| C10 | C02 | C06 | 115.4° | 107.4° |
| C10 | C02 | C03 | 121.8° | 115.5° |
| C02 | C10 | H15 | 108.2° | 109.9° |
| C02 | C10 | H16 | 108.3° | 109.9° |
| C06 | C02 | C03 | 102.2° | 102.3° |
| C02 | C06 | C07 | 114.9° | 107.8° |
| C02 | C06 | C05 | 103.8° | 103.0° |
| C02 | C06 | H12 | 105.0° | 109.6° |
| C02 | C03 | C04 | 106.4° | 102.2° |
| C02 | C03 | H10 | 108.0° | 112.9° |
| C08 | C07 | C06 | 108.0° | 107.5° |
| C08 | C07 | C15 | 115.2° | 108.2° |
| C07 | C08 | C11 | 114.4° | 110.7° |
| C08 | C07 | H13 | 109.0° | 110.3° |
| C07 | C08 | H14 | 107.8° | 108.4° |
| C06 | C07 | C15 | 108.5° | 109.6° |
| C07 | C06 | C05 | 123.1° | 116.7° |
| C07 | C06 | H12 | 103.8° | 109.7° |
| C06 | C07 | H13 | 107.9° | 110.2° |
| C07 | C15 | C14 | 114.2° | 109.3° |
| C07 | C15 | H2 | 108.3° | 109.5° |
| C07 | C15 | H3 | 108.3° | 109.5° |
| C15 | C07 | H13 | 108.0° | 111.0° |
| C08 | C11 | C19 | 108.5° | 110.0° |
| C08 | C11 | C13 | 111.5° | 113.3° |
| C11 | C08 | H14 | 105.8° | 108.3° |
| C19 | C11 | C13 | 110.4° | 109.4° |
| C11 | C19 | C18 | 111.0° | 109.4° |
| C11 | C19 | H19 | 109.1° | 109.5° |
| C11 | C19 | H20 | 109.1° | 109.5° |
| C11 | C13 | C14 | 115.0° | 123.9° |
| C11 | C13 | C16 | 125.7° | 117.8° |
| C06 | C05 | C04 | 102.4° | 105.4° |
| C05 | C06 | H12 | 104.5° | 109.7° |
| C06 | C05 | H23 | 111.2° | 110.2° |
| C06 | C05 | H24 | 111.2° | 110.3° |
| C05 | C04 | C03 | 105.5° | 106.5° |
| C05 | C04 | H11 | 108.4° | 111.8° |
| C04 | C05 | H23 | 111.2° | 110.3° |
| C04 | C05 | H24 | 111.2° | 110.3° |
| C04 | C03 | H10 | 112.2° | 113.1° |
| C03 | C04 | H11 | 113.6° | 112.1° |
| C19 | C18 | C17 | 109.2° | 109.8° |
| C19 | C18 | H17 | 109.5° | 109.5° |
| C19 | C18 | H18 | 109.6° | 109.4° |
| C18 | C19 | H19 | 109.1° | 109.5° |
| C18 | C19 | H20 | 109.1° | 109.4° |
| C15 | C14 | C13 | 116.7° | 123.1° |
| C14 | C15 | H2 | 108.3° | 109.5° |
| C14 | C15 | H3 | 108.3° | 109.5° |
| C15 | C14 | H30 | 121.7° | 118.5° |
| C14 | C13 | C16 | 118.8° | 118.3° |
| C13 | C14 | H30 | 121.7° | 118.4° |
| C13 | C16 | C17 | 112.3° | 108.4° |
| C13 | C16 | H4 | 108.7° | 109.7° |
| C13 | C16 | H5 | 108.8° | 109.7° |
| C16 | C17 | O20 | 109.3° | 109.5° |
| C16 | C17 | C18 | 113.0° | 109.4° |
| C17 | C16 | H4 | 108.8° | 109.7° |
| C17 | C16 | H5 | 108.7° | 109.7° |
| C16 | C17 | H6 | 108.1° | 109.5° |
| C17 | O20 | CG1 | 114.4° | 114.0° |
| O20 | C17 | C18 | 109.6° | 109.6° |
| O20 | C17 | H6 | 109.5° | 109.5° |
| O20 | CG1 | C22 | 109.3° | 109.5° |
| O20 | CG1 | H21 | 109.5° | 109.5° |
| O20 | CG1 | H22 | 109.5° | 109.4° |
| C18 | C17 | H6 | 107.3° | 109.5° |
| C17 | C18 | H17 | 109.6° | 109.4° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| CG1 | C22 | C23 | 114.1° | 109.5° |
| C22 | CG1 | H21 | 109.5° | 109.5° |
| C22 | CG1 | H22 | 109.5° | 109.5° |
| CG1 | C22 | H37 | 108.3° | 109.5° |
| CG1 | C22 | H38 | 108.3° | 109.5° |
| C22 | C23 | C24 | 110.8° | 109.5° |
| C22 | C23 | C48 | 111.4° | 109.5° |
| C23 | C22 | H37 | 108.3° | 109.5° |
| C23 | C22 | H38 | 108.3° | 109.5° |
| C22 | C23 | H39 | 107.7° | 109.5° |
| C24 | C23 | C48 | 111.6° | 109.5° |
| C23 | C24 | O1B | 108.1° | 109.5° |
| C24 | C23 | H39 | 107.6° | 109.5° |
| C23 | C24 | H40 | 109.8° | 109.5° |
| C23 | C24 | H41 | 109.8° | 109.5° |
| C23 | C48 | O1C | 109.3° | 109.5° |
| C48 | C23 | H39 | 107.6° | 109.5° |
| C23 | C48 | H46 | 109.5° | 109.5° |
| C23 | C48 | H47 | 109.5° | 109.5° |
| C24 | O1B | C1B | 114.7° | 114.0° |
| O1B | C24 | H40 | 109.8° | 109.5° |
| O1B | C24 | H41 | 109.8° | 109.5° |
| O2C | C2C | C1C | 107.8° | 109.5° |
| O2C | C2C | C3C | 107.3° | 109.5° |
| O2C | C2C | H42 | 108.8° | 109.6° |
| C2C | O2C | H71 | 109.5° | 114.0° |
| O1B | C1B | H32 | 109.5° | 109.5° |
| O1B | C1B | H33 | 109.5° | 109.4° |
| O1B | C1B | H34 | 109.5° | 109.5° |
| C48 | O1C | C1C | 115.5° | 114.0° |
| O1C | C48 | H46 | 109.5° | 109.5° |
| O1C | C48 | H47 | 109.5° | 109.5° |
| C2C | C1C | O1C | 108.2° | 109.5° |
| C2C | C1C | O5C | 117.3° | 109.4° |
| C1C | C2C | C3C | 116.8° | 109.2° |
| C2C | C1C | H35 | 107.4° | 109.5° |
| C1C | C2C | H42 | 107.7° | 109.5° |
| O1C | C1C | O5C | 106.6° | 109.5° |
| O1C | C1C | H35 | 109.2° | 109.4° |
| C1C | O5C | C5C | 115.3° | 114.1° |
| O5C | C1C | H35 | 108.0° | 109.5° |
| C2C | C3C | O3C | 108.6° | 109.5° |
| C2C | C3C | C4C | 112.8° | 109.1° |
| C3C | C2C | H42 | 108.2° | 109.5° |
| C2C | C3C | H44 | 108.5° | 109.6° |
| O5C | C5C | C4C | 110.0° | 109.4° |
| O5C | C5C | C6C | 108.7° | 109.4° |
| O5C | C5C | H50 | 109.3° | 109.5° |
| O3C | C3C | C4C | 109.3° | 109.5° |
| O3C | C3C | H44 | 109.0° | 109.5° |
| C3C | O3C | H73 | 109.5° | 114.0° |
| C3C | C4C | C5C | 107.6° | 109.1° |
| C3C | C4C | O11 | 109.5° | 109.5° |
| C4C | C3C | H44 | 108.6° | 109.6° |
| C3C | C4C | H48 | 109.9° | 109.5° |
| C4C | C5C | C6C | 110.7° | 109.5° |
| C5C | C4C | O11 | 110.1° | 109.5° |
| C5C | C4C | H48 | 109.6° | 109.6° |
| C4C | C5C | H50 | 109.1° | 109.5° |
| C5C | C6C | O6C | 107.8° | 109.5° |
| C6C | C5C | H50 | 109.1° | 109.5° |
| C5C | C6C | H53 | 109.9° | 109.4° |
| C5C | C6C | H54 | 109.9° | 109.5° |
| O6C | C6C | H53 | 109.9° | 109.5° |
| O6C | C6C | H54 | 109.9° | 109.5° |
| C6C | O6C | H76 | 109.5° | 114.0° |
| C4C | O11 | CF1 | 110.1° | 114.0° |
| O11 | C4C | H48 | 110.0° | 109.5° |
| O11 | CF1 | C21 | 108.7° | 109.5° |
| O11 | CF1 | O51 | 108.5° | 109.5° |
| O11 | CF1 | H69 | 109.7° | 109.5° |
| O21 | C21 | CF1 | 109.3° | 109.6° |
| O21 | C21 | C31 | 109.4° | 109.5° |
| O21 | C21 | H36 | 109.7° | 109.5° |
| C21 | O21 | H70 | 109.5° | 113.9° |
| C21 | CF1 | O51 | 112.7° | 109.4° |
| CF1 | C21 | C31 | 111.3° | 109.2° |
| CF1 | C21 | H36 | 108.4° | 109.5° |
| C21 | CF1 | H69 | 108.2° | 109.5° |
| CF1 | O51 | C51 | 114.5° | 114.1° |
| O51 | CF1 | H69 | 109.0° | 109.5° |
| C21 | C31 | O31 | 108.8° | 109.5° |
| C21 | C31 | C41 | 111.5° | 109.0° |
| C31 | C21 | H36 | 108.8° | 109.5° |
| C21 | C31 | H43 | 108.8° | 109.5° |
| O51 | C51 | C41 | 112.6° | 109.4° |
| O51 | C51 | C61 | 109.7° | 109.4° |
| O51 | C51 | H49 | 108.3° | 109.5° |
| O31 | C31 | C41 | 109.0° | 109.5° |
| O31 | C31 | H43 | 109.6° | 109.5° |
| C31 | O31 | H72 | 109.5° | 114.0° |
| C31 | C41 | C51 | 111.9° | 109.1° |
| C31 | C41 | O41 | 108.4° | 109.5° |
| C41 | C31 | H43 | 109.2° | 109.7° |
| C31 | C41 | H45 | 109.5° | 109.5° |
| O61 | C61 | C51 | 108.5° | 109.5° |
| O61 | C61 | H51 | 109.7° | 109.4° |
| O61 | C61 | H52 | 109.7° | 109.5° |
| C61 | O61 | H75 | 109.5° | 114.0° |
| C41 | C51 | C61 | 109.3° | 109.5° |
| C51 | C41 | O41 | 108.3° | 109.5° |
| C51 | C41 | H45 | 109.0° | 109.6° |
| C41 | C51 | H49 | 108.4° | 109.5° |
| C61 | C51 | H49 | 108.5° | 109.5° |
| C51 | C61 | H51 | 109.7° | 109.5° |
| C51 | C61 | H52 | 109.7° | 109.5° |
| O41 | C41 | H45 | 109.8° | 109.6° |
| C41 | O41 | H74 | 109.5° | 114.0° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.8° |
| 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° | 109.9° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H21 | CG1 | H22 | 109.5° | 109.5° |
| H23 | C05 | H24 | 109.5° | 110.2° |
| H25 | C09 | H26 | 109.5° | 109.0° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H27 | C12 | H29 | 109.4° | 109.5° |
| H28 | C12 | H29 | 109.5° | 109.5° |
| H32 | C1B | H33 | 109.5° | 109.5° |
| H32 | C1B | H34 | 109.5° | 109.5° |
| H33 | C1B | H34 | 109.4° | 109.5° |
| H37 | C22 | H38 | 109.4° | 109.4° |
| H40 | C24 | H41 | 109.5° | 109.4° |
| H46 | C48 | H47 | 109.5° | 109.4° |
| H51 | C61 | H52 | 109.5° | 109.5° |
| H53 | C6C | H54 | 109.5° | 109.5° |
| H56 | C75 | H57 | 109.4° | 109.5° |
| H56 | C75 | H58 | 109.5° | 109.5° |
| H57 | C75 | H58 | 109.5° | 109.5° |
| H59 | C76 | H60 | 109.5° | 109.5° |
| H61 | C77 | H62 | 109.5° | 109.7° |
| H64 | C79 | H65 | 109.4° | 109.5° |
| H66 | C81 | H67 | 109.5° | 109.5° |
| H66 | C81 | H68 | 109.5° | 109.5° |
| H67 | C81 | H68 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C76 | C77 | C78 | H61 | 120.7° | 119.8° |
| C76 | C77 | C78 | H62 | 120.6° | 119.9° |
| C77 | C76 | C73 | H59 | 120.1° | 119.9° |
| C77 | C76 | C73 | H60 | 120.1° | 120.0° |
| C76 | C77 | C78 | C81 | 159.6° | 177.3° |
| C76 | C77 | C78 | C79 | 40.0° | 57.5° |
| C77 | C76 | C73 | O72 | 57.3° | 66.2° |
| C77 | C76 | C73 | C74 | 173.7° | 178.5° |
| C77 | C76 | C73 | O80 | 62.4° | 56.0° |
| C77 | C76 | H59 | H60 | 119.5° | 120.1° |
| C76 | C77 | H61 | H62 | 117.9° | 120.3° |
| C76 | C77 | C78 | H63 | 82.8° | 62.5° |
| C78 | C77 | C76 | C73 | 50.0° | 56.1° |
| C77 | C78 | C81 | C79 | 124.1° | 119.7° |
| C77 | C78 | C81 | H63 | 118.7° | 120.2° |
| C77 | C78 | C79 | H63 | 123.3° | 119.9° |
| C77 | C78 | C79 | O80 | 41.3° | 58.1° |
| C78 | C77 | C76 | H59 | 170.2° | 63.9° |
| C78 | C77 | C76 | H60 | 70.1° | 176.0° |
| C78 | C77 | H61 | H62 | 117.9° | 120.2° |
| C77 | C78 | C79 | H64 | 162.0° | 178.1° |
| C77 | C78 | C79 | H65 | 79.3° | 61.8° |
| C77 | C78 | C81 | H66 | 180.0° | 60.0° |
| C77 | C78 | C81 | H67 | 60.0° | 180.0° |
| C77 | C78 | C81 | H68 | 60.0° | 60.1° |
| C76 | C73 | O72 | C74 | 120.0° | 118.0° |
| C76 | C73 | O72 | O80 | 119.8° | 122.6° |
| C76 | C73 | C74 | O80 | 122.6° | 122.5° |
| C76 | C73 | O72 | C04 | 148.5° | 159.3° |
| C76 | C73 | C74 | C03 | 136.8° | 143.7° |
| C76 | C73 | C74 | C75 | 105.5° | 98.0° |
| C76 | C73 | O80 | C79 | 63.5° | 59.5° |
| C76 | C73 | C74 | H55 | 16.7° | 24.6° |
| C73 | C76 | H59 | H60 | 119.6° | 120.1° |
| C73 | C76 | C77 | H61 | 170.7° | 175.9° |
| C73 | C76 | C77 | H62 | 70.6° | 63.8° |
| C81 | C78 | C79 | H63 | 116.8° | 120.2° |
| C81 | C78 | C79 | O80 | 161.3° | 178.0° |
| C81 | C78 | C77 | H61 | 79.7° | 62.9° |
| C81 | C78 | C77 | H62 | 39.0° | 57.4° |
| C81 | C78 | C79 | H64 | 78.1° | 62.0° |
| C81 | C78 | C79 | H65 | 40.6° | 58.1° |
| C78 | C81 | H66 | H67 | 120.0° | 120.0° |
| C78 | C81 | H66 | H68 | 120.0° | 120.0° |
| C78 | C81 | H67 | H68 | 119.9° | 119.9° |
| C78 | C79 | O80 | C73 | 53.1° | 60.2° |
| C78 | C79 | O80 | H64 | 120.7° | 120.0° |
| C78 | C79 | O80 | H65 | 120.7° | 119.9° |
| C79 | C78 | C77 | H61 | 160.6° | 177.2° |
| C79 | C78 | C77 | H62 | 80.7° | 62.4° |
| C78 | C79 | H64 | H65 | 118.0° | 120.0° |
| C79 | C78 | C81 | H66 | 55.9° | 59.7° |
| C79 | C78 | C81 | H67 | 175.9° | 60.3° |
| C79 | C78 | C81 | H68 | 64.2° | 179.7° |
| C01 | C02 | C10 | C09 | 77.7° | 56.9° |
| C01 | C02 | C03 | C74 | 44.8° | 34.2° |
| C01 | C02 | C10 | C06 | 115.6° | 120.3° |
| C01 | C02 | C10 | C03 | 119.8° | 126.3° |
| C01 | C02 | C06 | C03 | 111.5° | 117.5° |
| C01 | C02 | C06 | C07 | 69.7° | 51.5° |
| C01 | C02 | C06 | C05 | 67.5° | 72.5° |
| C01 | C02 | C03 | C04 | 71.7° | 76.0° |
| 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 | 167.7° | 162.2° |
| C01 | C02 | C06 | H12 | 177.0° | 170.8° |
| C01 | C02 | C10 | H15 | 161.6° | 63.6° |
| C01 | C02 | C10 | H16 | 43.1° | 175.3° |
| C12 | C11 | C08 | C09 | 56.0° | 41.0° |
| C12 | C11 | C08 | C07 | 68.1° | 82.5° |
| C12 | C11 | C08 | C19 | 118.8° | 118.0° |
| C12 | C11 | C08 | C13 | 119.4° | 119.3° |
| C12 | C11 | C19 | C13 | 119.3° | 117.0° |
| C12 | C11 | C19 | C18 | 150.2° | 62.7° |
| C12 | C11 | C13 | C14 | 74.9° | 113.7° |
| C12 | C11 | C13 | C16 | 96.7° | 66.0° |
| C12 | C11 | C08 | H14 | 173.3° | 158.9° |
| C12 | C11 | C19 | H19 | 30.0° | 177.3° |
| C12 | C11 | C19 | H20 | 89.6° | 57.2° |
| C11 | C12 | H27 | H28 | 120.0° | 120.0° |
| C11 | C12 | H27 | H29 | 120.0° | 120.0° |
| C11 | C12 | H28 | H29 | 120.0° | 120.0° |
| O72 | C73 | C74 | O80 | 118.5° | 119.1° |
| O72 | C73 | C74 | C03 | 17.9° | 25.3° |
| O72 | C73 | C74 | C75 | 135.6° | 143.5° |
| O72 | C73 | O80 | C79 | 56.5° | 62.7° |
| C73 | O72 | C04 | C05 | 147.1° | 153.8° |
| C73 | O72 | C04 | C03 | 32.1° | 40.0° |
| C73 | O72 | C04 | H11 | 92.1° | 81.7° |
| O72 | C73 | C74 | H55 | 102.1° | 93.8° |
| O72 | C73 | C76 | H59 | 62.8° | 173.8° |
| O72 | C73 | C76 | H60 | 177.5° | 53.7° |
| C74 | C73 | O72 | C04 | 28.6° | 41.3° |
| C73 | C74 | C03 | C75 | 118.5° | 118.5° |
| C73 | C74 | C03 | H55 | 119.0° | 118.8° |
| C73 | C74 | C75 | H55 | 121.6° | 122.7° |
| C74 | C73 | O80 | C79 | 172.8° | 178.7° |
| C73 | C74 | C03 | C02 | 113.8° | 110.5° |
| C73 | C74 | C03 | C04 | 2.7° | 1.4° |
| C73 | C74 | C03 | H10 | 124.8° | 121.5° |
| C73 | C74 | C75 | H56 | 180.0° | 58.6° |
| C73 | C74 | C75 | H57 | 60.0° | 178.5° |
| C73 | C74 | C75 | H58 | 60.0° | 61.4° |
| C74 | C73 | C76 | H59 | 53.5° | 58.6° |
| C74 | C73 | C76 | H60 | 66.2° | 61.5° |
| O80 | C73 | O72 | C04 | 91.6° | 78.1° |
| O80 | C73 | C74 | C03 | 100.6° | 93.8° |
| O80 | C73 | C74 | C75 | 17.1° | 24.4° |
| O80 | C73 | C74 | H55 | 139.3° | 147.1° |
| O80 | C73 | C76 | H59 | 177.5° | 63.9° |
| O80 | C73 | C76 | H60 | 57.8° | 176.0° |
| C73 | O80 | C79 | H64 | 173.8° | 179.8° |
| C73 | O80 | C79 | H65 | 67.5° | 59.7° |
| O72 | C04 | C03 | C74 | 19.1° | 23.1° |
| O72 | C04 | C03 | C02 | 101.9° | 92.5° |
| O72 | C04 | C05 | C06 | 124.6° | 116.8° |
| O72 | C04 | C05 | C03 | 115.9° | 112.6° |
| O72 | C04 | C05 | H11 | 122.0° | 124.6° |
| O72 | C04 | C03 | H11 | 122.3° | 121.7° |
| O72 | C04 | C03 | H10 | 140.1° | 145.8° |
| O72 | C04 | C05 | H23 | 5.8° | 124.2° |
| O72 | C04 | C05 | H24 | 116.5° | 2.2° |
| C10 | C09 | C08 | H25 | 120.2° | 120.5° |
| C10 | C09 | C08 | H26 | 120.2° | 120.6° |
| C09 | C10 | C02 | H15 | 120.7° | 120.5° |
| C09 | C10 | C02 | H16 | 120.7° | 118.4° |
| C09 | C10 | C02 | C06 | 38.0° | 63.5° |
| C09 | C10 | C02 | C03 | 162.6° | 176.8° |
| C10 | C09 | C08 | C07 | 59.2° | 54.3° |
| C10 | C09 | C08 | C11 | 173.6° | 177.2° |
| C10 | C09 | C08 | H14 | 57.8° | 64.9° |
| C09 | C10 | H15 | H16 | 117.8° | 120.2° |
| C10 | C09 | H25 | H26 | 119.4° | 118.8° |
| C08 | C09 | C10 | C02 | 46.0° | 57.0° |
| C09 | C08 | C07 | C11 | 125.4° | 122.1° |
| C09 | C08 | C07 | H14 | 117.2° | 119.2° |
| C09 | C08 | C07 | C06 | 64.3° | 57.1° |
| C09 | C08 | C07 | C15 | 174.2° | 175.3° |
| C09 | C08 | C11 | H14 | 117.3° | 117.9° |
| C09 | C08 | C11 | C19 | 62.7° | 77.0° |
| C09 | C08 | C11 | C13 | 175.5° | 160.3° |
| C09 | C08 | C07 | H13 | 52.6° | 63.1° |
| C08 | C09 | C10 | H15 | 74.7° | 177.1° |
| C08 | C09 | C10 | H16 | 166.7° | 62.1° |
| C08 | C09 | H25 | H26 | 119.5° | 119.0° |
| C03 | C74 | C75 | H55 | 122.8° | 122.8° |
| C74 | C03 | C02 | C10 | 73.6° | 92.0° |
| C74 | C03 | C02 | C06 | 155.9° | 151.7° |
| C74 | C03 | C02 | C04 | 116.5° | 110.2° |
| C74 | C03 | C02 | H10 | 122.8° | 127.9° |
| C74 | C03 | C04 | C05 | 138.1° | 138.8° |
| C74 | C03 | C04 | H10 | 121.0° | 122.7° |
| C74 | C03 | C04 | H11 | 103.3° | 98.6° |
| C03 | C74 | C75 | H56 | 64.5° | 55.9° |
| C03 | C74 | C75 | H57 | 175.6° | 64.0° |
| C03 | C74 | C75 | H58 | 55.6° | 175.9° |
| C75 | C74 | C03 | C02 | 127.7° | 131.0° |
| C75 | C74 | C03 | C04 | 115.7° | 119.8° |
| C75 | C74 | C03 | H10 | 6.3° | 3.1° |
| C74 | C75 | H56 | H57 | 120.0° | 120.0° |
| C74 | C75 | H56 | H58 | 120.0° | 119.9° |
| C74 | C75 | H57 | H58 | 120.0° | 120.0° |
| O80 | C79 | C78 | H63 | 82.0° | 61.8° |
| O80 | C79 | H64 | H65 | 118.0° | 120.1° |
| C10 | C02 | C06 | C03 | 134.3° | 122.0° |
| C10 | C02 | C06 | C07 | 44.6° | 69.0° |
| C10 | C02 | C06 | C05 | 178.3° | 167.1° |
| C10 | C02 | C03 | C04 | 169.9° | 157.7° |
| C10 | C02 | C01 | H7 | 180.0° | 61.8° |
| C10 | C02 | C01 | H8 | 60.0° | 178.3° |
| C10 | C02 | C01 | H9 | 60.0° | 58.3° |
| C10 | C02 | C03 | H10 | 49.3° | 35.9° |
| C10 | C02 | C06 | H12 | 68.8° | 50.4° |
| C02 | C10 | H15 | H16 | 117.8° | 121.1° |
| C02 | C10 | C09 | H25 | 74.2° | 177.6° |
| C02 | C10 | C09 | H26 | 166.2° | 63.6° |
| C02 | C06 | C07 | C08 | 56.9° | 63.9° |
| C02 | C06 | C07 | C05 | 128.0° | 115.3° |
| C02 | C06 | C07 | H12 | 114.1° | 119.3° |
| C02 | C06 | C07 | C15 | 177.6° | 178.7° |
| C02 | C06 | C05 | H12 | 109.8° | 116.7° |
| C02 | C06 | C05 | C04 | 33.8° | 29.9° |
| C06 | C02 | C03 | C04 | 39.5° | 41.4° |
| C06 | C02 | C01 | H7 | 58.0° | 56.8° |
| C06 | C02 | C01 | H8 | 178.0° | 63.1° |
| C06 | C02 | C01 | H9 | 62.0° | 176.8° |
| C06 | C02 | C03 | H10 | 81.2° | 80.4° |
| C02 | C06 | C07 | H13 | 60.8° | 56.3° |
| C06 | C02 | C10 | H15 | 82.8° | 176.0° |
| C06 | C02 | C10 | H16 | 158.7° | 55.0° |
| C02 | C06 | C05 | H23 | 85.1° | 148.8° |
| C02 | C06 | C05 | H24 | 152.6° | 89.2° |
| C03 | C02 | C06 | C07 | 178.8° | 169.0° |
| C03 | C02 | C06 | C05 | 44.0° | 45.0° |
| C02 | C03 | C04 | C05 | 17.1° | 23.3° |
| C02 | C03 | C04 | H10 | 118.0° | 121.7° |
| C03 | C02 | C01 | H7 | 50.3° | 169.2° |
| C03 | C02 | C01 | H8 | 69.7° | 49.2° |
| C03 | C02 | C01 | H9 | 170.3° | 70.8° |
| C02 | C03 | C04 | H11 | 135.7° | 145.9° |
| C03 | C02 | C06 | H12 | 65.5° | 71.7° |
| C03 | C02 | C10 | H15 | 41.8° | 62.7° |
| C03 | C02 | C10 | H16 | 76.7° | 58.4° |
| C02 | C03 | C74 | H55 | 5.2° | 8.4° |
| C08 | C07 | C06 | C15 | 125.5° | 117.4° |
| C08 | C07 | C06 | H13 | 117.7° | 120.2° |
| C08 | C07 | C15 | H13 | 122.1° | 121.1° |
| C07 | C08 | C11 | H14 | 118.5° | 118.7° |
| C07 | C08 | C11 | C19 | 173.1° | 159.6° |
| C07 | C08 | C11 | C13 | 51.3° | 36.8° |
| C08 | C07 | C06 | C05 | 175.0° | 179.1° |
| C08 | C07 | C15 | C14 | 43.6° | 55.7° |
| C08 | C07 | C15 | H2 | 77.1° | 64.2° |
| C08 | C07 | C15 | H3 | 164.3° | 175.7° |
| C08 | C07 | C06 | H12 | 57.2° | 55.4° |
| C07 | C08 | C09 | H25 | 60.9° | 174.9° |
| C07 | C08 | C09 | H26 | 179.4° | 66.2° |
| C06 | C07 | C15 | H13 | 116.7° | 121.9° |
| C06 | C07 | C08 | C11 | 170.2° | 179.2° |
| C07 | C06 | C05 | H12 | 117.5° | 125.4° |
| C07 | C06 | C05 | C04 | 166.4° | 147.8° |
| C06 | C07 | C15 | C14 | 164.8° | 172.7° |
| C06 | C07 | C15 | H2 | 44.0° | 52.7° |
| C06 | C07 | C15 | H3 | 74.5° | 67.4° |
| C06 | C07 | C08 | H14 | 52.8° | 62.1° |
| C07 | C06 | C05 | H23 | 47.6° | 93.3° |
| C07 | C06 | C05 | H24 | 74.7° | 28.7° |
| C15 | C07 | C08 | C11 | 48.8° | 62.5° |
| C15 | C07 | C06 | C05 | 49.5° | 63.5° |
| C07 | C15 | C14 | H2 | 120.7° | 119.9° |
| C07 | C15 | C14 | H3 | 120.7° | 120.0° |
| C07 | C15 | C14 | C13 | 37.3° | 26.4° |
| C07 | C15 | H2 | H3 | 117.8° | 120.1° |
| C15 | C07 | C06 | H12 | 68.3° | 62.0° |
| C15 | C07 | C08 | H14 | 68.6° | 56.1° |
| C07 | C15 | C14 | H30 | 142.7° | 153.6° |
| C08 | C11 | C19 | C13 | 122.4° | 125.0° |
| C08 | C11 | C19 | C18 | 91.5° | 179.3° |
| C08 | C11 | C13 | C14 | 44.5° | 5.9° |
| C08 | C11 | C13 | C16 | 143.8° | 174.4° |
| C11 | C08 | C07 | H13 | 72.8° | 59.1° |
| C08 | C11 | C19 | H19 | 148.2° | 59.3° |
| C08 | C11 | C19 | H20 | 28.7° | 60.7° |
| C11 | C08 | C09 | H25 | 66.3° | 62.3° |
| C11 | C08 | C09 | H26 | 53.4° | 56.6° |
| C08 | C11 | C12 | H27 | 180.0° | 60.1° |
| C08 | C11 | C12 | H28 | 60.0° | 180.0° |
| C08 | C11 | C12 | H29 | 60.0° | 59.9° |
| C11 | C19 | C18 | H19 | 120.2° | 120.0° |
| C11 | C19 | C18 | H20 | 120.2° | 120.0° |
| C19 | C11 | C13 | C14 | 165.2° | 129.0° |
| C19 | C11 | C13 | C16 | 23.2° | 51.3° |
| C11 | C19 | C18 | C17 | 65.2° | 62.8° |
| C19 | C11 | C08 | H14 | 54.6° | 40.9° |
| C11 | C19 | C18 | H17 | 174.9° | 177.1° |
| C11 | C19 | C18 | H18 | 54.8° | 57.3° |
| C11 | C19 | H19 | H20 | 119.3° | 120.1° |
| C19 | C11 | C12 | H27 | 61.8° | 59.1° |
| C19 | C11 | C12 | H28 | 178.2° | 60.9° |
| C19 | C11 | C12 | H29 | 58.2° | 179.1° |
| C13 | C11 | C19 | C18 | 30.9° | 54.3° |
| C11 | C13 | C14 | C15 | 41.9° | 0.7° |
| C11 | C13 | C14 | C16 | 172.3° | 179.7° |
| C11 | C13 | C16 | C17 | 41.6° | 51.7° |
| C11 | C13 | C16 | H4 | 162.1° | 171.3° |
| C11 | C13 | C16 | H5 | 78.8° | 68.0° |
| C13 | C11 | C08 | H14 | 67.2° | 81.9° |
| C13 | C11 | C19 | H19 | 89.4° | 65.7° |
| C13 | C11 | C19 | H20 | 151.1° | 174.3° |
| C13 | C11 | C12 | H27 | 58.7° | 177.2° |
| C13 | C11 | C12 | H28 | 61.3° | 57.2° |
| C13 | C11 | C12 | H29 | 178.7° | 62.8° |
| C11 | C13 | C14 | H30 | 138.1° | 179.3° |
| C06 | C05 | C04 | H23 | 118.9° | 119.0° |
| C06 | C05 | C04 | H24 | 118.9° | 119.0° |
| C06 | C05 | C04 | C03 | 8.7° | 4.2° |
| C06 | C05 | C04 | H11 | 113.3° | 118.5° |
| C05 | C06 | C07 | H13 | 67.3° | 59.0° |
| C06 | C05 | H23 | H24 | 123.3° | 122.0° |
| C05 | C04 | C03 | H11 | 118.6° | 122.6° |
| C05 | C04 | C03 | H10 | 100.9° | 98.4° |
| C04 | C05 | C06 | H12 | 76.1° | 86.8° |
| C04 | C05 | H23 | H24 | 123.2° | 122.0° |
| C03 | C04 | C05 | H23 | 110.1° | 123.2° |
| C03 | C04 | C05 | H24 | 127.6° | 114.8° |
| C04 | C03 | C74 | H55 | 121.8° | 117.5° |
| C19 | C18 | C17 | C16 | 46.0° | 63.7° |
| C19 | C18 | C17 | O20 | 76.1° | 176.3° |
| C19 | C18 | C17 | H17 | 119.9° | 120.1° |
| C19 | C18 | C17 | H18 | 120.0° | 120.1° |
| C19 | C18 | C17 | H6 | 165.1° | 56.3° |
| C19 | C18 | H17 | H18 | 120.1° | 119.8° |
| C18 | C19 | H19 | H20 | 119.3° | 120.0° |
| C15 | C14 | C13 | H30 | 180.0° | 180.0° |
| C15 | C14 | C13 | C16 | 145.8° | 179.6° |
| C14 | C15 | H2 | H3 | 117.9° | 120.1° |
| C14 | C15 | C07 | H13 | 78.5° | 65.4° |
| C14 | C13 | C16 | C17 | 147.0° | 128.7° |
| C13 | C14 | C15 | H2 | 83.4° | 93.5° |
| C13 | C14 | C15 | H3 | 158.1° | 146.4° |
| C14 | C13 | C16 | H4 | 26.5° | 9.0° |
| C14 | C13 | C16 | H5 | 92.6° | 111.6° |
| C13 | C16 | C17 | H4 | 120.4° | 119.7° |
| C13 | C16 | C17 | H5 | 120.4° | 119.7° |
| C13 | C16 | C17 | O20 | 124.7° | 175.3° |
| C13 | C16 | C17 | C18 | 2.3° | 55.2° |
| C13 | C16 | H4 | H5 | 118.7° | 120.6° |
| C13 | C16 | C17 | H6 | 116.3° | 64.7° |
| C16 | C13 | C14 | H30 | 34.2° | 0.4° |
| C16 | C17 | O20 | C18 | 124.3° | 120.0° |
| C16 | C17 | O20 | H6 | 118.2° | 120.0° |
| C16 | C17 | O20 | CG1 | 112.1° | 90.0° |
| C16 | C17 | C18 | H6 | 119.1° | 119.9° |
| C17 | C16 | H4 | H5 | 118.7° | 120.5° |
| C16 | C17 | C18 | H17 | 165.9° | 176.2° |
| C16 | C17 | C18 | H18 | 74.0° | 56.4° |
| O20 | C17 | C18 | H6 | 118.8° | 120.0° |
| C17 | O20 | CG1 | C22 | 80.0° | 180.0° |
| O20 | C17 | C16 | H4 | 114.9° | 65.0° |
| O20 | C17 | C16 | H5 | 4.2° | 55.5° |
| O20 | C17 | C18 | H17 | 43.8° | 56.2° |
| O20 | C17 | C18 | H18 | 163.9° | 63.6° |
| C17 | O20 | CG1 | H21 | 160.1° | 60.0° |
| C17 | O20 | CG1 | H22 | 40.0° | 59.9° |
| CG1 | O20 | C17 | C18 | 123.6° | 150.0° |
| O20 | CG1 | C22 | H21 | 120.0° | 120.0° |
| O20 | CG1 | C22 | H22 | 120.0° | 120.0° |
| O20 | CG1 | C22 | C23 | 172.3° | 176.7° |
| CG1 | O20 | C17 | H6 | 6.1° | 30.0° |
| O20 | CG1 | H21 | H22 | 120.1° | 119.9° |
| O20 | CG1 | C22 | H37 | 51.6° | 56.7° |
| O20 | CG1 | C22 | H38 | 67.0° | 63.3° |
| C18 | C17 | C16 | H4 | 122.8° | 174.9° |
| C18 | C17 | C16 | H5 | 118.1° | 64.5° |
| C17 | C18 | H17 | H18 | 120.1° | 119.8° |
| C17 | C18 | C19 | H19 | 55.1° | 57.3° |
| C17 | C18 | C19 | H20 | 174.6° | 177.2° |
| CG1 | C22 | C23 | H37 | 120.7° | 120.0° |
| CG1 | C22 | C23 | H38 | 120.7° | 120.0° |
| CG1 | C22 | C23 | C24 | 142.4° | 173.8° |
| CG1 | C22 | C23 | C48 | 17.6° | 66.3° |
| C22 | CG1 | H21 | H22 | 120.1° | 120.0° |
| CG1 | C22 | H37 | H38 | 117.9° | 120.0° |
| CG1 | C22 | C23 | H39 | 100.2° | 53.7° |
| C22 | C23 | C24 | C48 | 124.7° | 120.0° |
| C22 | C23 | C24 | H39 | 117.5° | 120.0° |
| C22 | C23 | C48 | H39 | 117.8° | 120.0° |
| C22 | C23 | C24 | O1B | 146.6° | 65.4° |
| C22 | C23 | C48 | O1C | 169.5° | 175.0° |
| C23 | C22 | CG1 | H21 | 67.7° | 56.7° |
| C23 | C22 | CG1 | H22 | 52.3° | 63.3° |
| C23 | C22 | H37 | H38 | 117.9° | 119.9° |
| C22 | C23 | C24 | H40 | 93.6° | 174.6° |
| C22 | C23 | C24 | H41 | 26.9° | 54.7° |
| C22 | C23 | C48 | H46 | 49.5° | 55.0° |
| C22 | C23 | C48 | H47 | 70.5° | 65.0° |
| C24 | C23 | C48 | H39 | 117.8° | 120.0° |
| C23 | C24 | O1B | H40 | 119.8° | 120.0° |
| C23 | C24 | O1B | H41 | 119.8° | 120.0° |
| C23 | C24 | O1B | C1B | 170.8° | 180.0° |
| C24 | C23 | C48 | O1C | 66.1° | 65.0° |
| C24 | C23 | C22 | H37 | 21.7° | 66.2° |
| C24 | C23 | C22 | H38 | 96.9° | 53.7° |
| C23 | C24 | H40 | H41 | 120.6° | 119.9° |
| C24 | C23 | C48 | H46 | 173.9° | 175.0° |
| C24 | C23 | C48 | H47 | 53.9° | 55.0° |
| C48 | C23 | C24 | O1B | 88.6° | 174.7° |
| C23 | C48 | O1C | H46 | 120.0° | 120.0° |
| C23 | C48 | O1C | H47 | 120.0° | 120.1° |
| C23 | C48 | O1C | C1C | 85.0° | 180.0° |
| C48 | C23 | C22 | H37 | 103.1° | 53.8° |
| C48 | C23 | C22 | H38 | 138.3° | 173.7° |
| C48 | C23 | C24 | H40 | 31.2° | 54.6° |
| C48 | C23 | C24 | H41 | 151.6° | 65.3° |
| C23 | C48 | H46 | H47 | 120.1° | 120.0° |
| C24 | O1B | C1B | H32 | 180.0° | 59.9° |
| C24 | O1B | C1B | H33 | 60.0° | 60.0° |
| C24 | O1B | C1B | H34 | 60.0° | 180.0° |
| O1B | C24 | C23 | H39 | 29.2° | 54.7° |
| O1B | C24 | H40 | H41 | 120.6° | 120.0° |
| O2C | C2C | C1C | C3C | 120.9° | 119.9° |
| O2C | C2C | C1C | H42 | 117.2° | 120.2° |
| O2C | C2C | C1C | O1C | 99.9° | 62.5° |
| O2C | C2C | C1C | O5C | 139.6° | 177.5° |
| O2C | C2C | C3C | H42 | 117.3° | 120.2° |
| O2C | C2C | C3C | O3C | 81.1° | 63.2° |
| O2C | C2C | C3C | C4C | 157.6° | 176.9° |
| O2C | C2C | C1C | H35 | 17.9° | 57.5° |
| O2C | C2C | C3C | H44 | 37.2° | 56.9° |
| O1B | C1B | H32 | H33 | 120.0° | 120.0° |
| O1B | C1B | H32 | H34 | 120.0° | 120.0° |
| O1B | C1B | H33 | H34 | 120.0° | 120.0° |
| C1B | O1B | C24 | H40 | 51.0° | 59.9° |
| C1B | O1B | C24 | H41 | 69.4° | 60.0° |
| C48 | O1C | C1C | C2C | 77.9° | 175.0° |
| C48 | O1C | C1C | O5C | 155.1° | 65.0° |
| C48 | O1C | C1C | H35 | 38.6° | 55.0° |
| O1C | C48 | C23 | H39 | 51.7° | 55.0° |
| O1C | C48 | H46 | H47 | 120.1° | 120.0° |
| C2C | C1C | O1C | O5C | 127.0° | 120.0° |
| C2C | C1C | O1C | H35 | 116.6° | 120.0° |
| C2C | C1C | O5C | H35 | 121.4° | 120.0° |
| C1C | C2C | C3C | H42 | 121.6° | 119.9° |
| C2C | C1C | O5C | C5C | 25.9° | 61.2° |
| C1C | C2C | C3C | O3C | 157.8° | 176.8° |
| C1C | C2C | C3C | C4C | 36.5° | 57.0° |
| C1C | C2C | C3C | H44 | 83.9° | 63.0° |
| C1C | C2C | O2C | H71 | 180.0° | 60.0° |
| O1C | C1C | O5C | H35 | 117.2° | 120.0° |
| O1C | C1C | C2C | C3C | 139.3° | 177.6° |
| O1C | C1C | O5C | C5C | 147.3° | 178.8° |
| O1C | C1C | C2C | H42 | 17.4° | 57.7° |
| C1C | O1C | C48 | H46 | 35.0° | 60.0° |
| C1C | O1C | C48 | H47 | 155.0° | 60.0° |
| O5C | C1C | C2C | C3C | 18.7° | 57.6° |
| C1C | O5C | C5C | C4C | 50.3° | 61.2° |
| C1C | O5C | C5C | C6C | 171.6° | 178.9° |
| O5C | C1C | C2C | H42 | 103.2° | 62.3° |
| C1C | O5C | C5C | H50 | 69.4° | 58.8° |
| C2C | C3C | O3C | C4C | 123.4° | 119.6° |
| C2C | C3C | O3C | H44 | 118.0° | 120.2° |
| C2C | C3C | C4C | H44 | 120.3° | 119.9° |
| C2C | C3C | C4C | C5C | 60.3° | 57.0° |
| C2C | C3C | C4C | O11 | 180.0° | 176.9° |
| C3C | C2C | C1C | H35 | 103.0° | 62.4° |
| C2C | C3C | C4C | H48 | 59.0° | 62.9° |
| C3C | C2C | O2C | H71 | 53.4° | 179.7° |
| C2C | C3C | O3C | H73 | 180.0° | 60.0° |
| O5C | C5C | C4C | C3C | 67.3° | 57.7° |
| O5C | C5C | C4C | C6C | 120.2° | 119.9° |
| O5C | C5C | C4C | H50 | 119.8° | 120.0° |
| O5C | C5C | C6C | H50 | 119.1° | 120.0° |
| O5C | C5C | C6C | O6C | 59.9° | 63.8° |
| O5C | C5C | C4C | O11 | 173.3° | 177.6° |
| C5C | O5C | C1C | H35 | 95.5° | 58.8° |
| O5C | C5C | C4C | H48 | 52.1° | 62.3° |
| O5C | C5C | C6C | H53 | 179.6° | 176.3° |
| O5C | C5C | C6C | H54 | 59.8° | 56.3° |
| O3C | C3C | C4C | H44 | 118.8° | 120.2° |
| O3C | C3C | C4C | C5C | 178.9° | 176.9° |
| O3C | C3C | C4C | O11 | 59.1° | 63.2° |
| O3C | C3C | C2C | H42 | 36.2° | 57.0° |
| O3C | C3C | C4C | H48 | 61.8° | 56.9° |
| C3C | C4C | C5C | O11 | 119.3° | 119.9° |
| C3C | C4C | C5C | H48 | 119.5° | 119.9° |
| C3C | C4C | C5C | C6C | 172.5° | 177.5° |
| C3C | C4C | O11 | H48 | 120.9° | 120.1° |
| C3C | C4C | O11 | CF1 | 109.5° | 84.6° |
| C4C | C3C | C2C | H42 | 85.1° | 62.9° |
| C3C | C4C | C5C | H50 | 52.5° | 62.4° |
| C4C | C3C | O3C | H73 | 56.7° | 179.6° |
| C4C | C5C | C6C | H50 | 120.0° | 120.1° |
| C4C | C5C | C6C | O6C | 179.2° | 176.4° |
| C5C | C4C | O11 | H48 | 120.9° | 120.2° |
| C5C | C4C | O11 | CF1 | 132.3° | 155.7° |
| C5C | C4C | C3C | H44 | 60.0° | 62.9° |
| C4C | C5C | C6C | H53 | 59.5° | 56.4° |
| C4C | C5C | C6C | H54 | 61.1° | 63.6° |
| C5C | C6C | O6C | H53 | 119.7° | 119.9° |
| C5C | C6C | O6C | H54 | 119.7° | 120.0° |
| C6C | C5C | C4C | O11 | 53.2° | 62.6° |
| C6C | C5C | C4C | H48 | 68.0° | 57.6° |
| C5C | C6C | H53 | H54 | 120.8° | 120.0° |
| C5C | C6C | O6C | H76 | 180.0° | 180.0° |
| O6C | C6C | C5C | H50 | 59.2° | 56.3° |
| O6C | C6C | H53 | H54 | 120.8° | 120.0° |
| C4C | O11 | CF1 | C21 | 174.5° | 167.9° |
| C4C | O11 | CF1 | O51 | 62.6° | 72.2° |
| O11 | C4C | C3C | H44 | 59.7° | 57.0° |
| O11 | C4C | C5C | H50 | 66.8° | 57.5° |
| C4C | O11 | CF1 | H69 | 56.3° | 47.8° |
| O11 | CF1 | C21 | O21 | 9.1° | 57.6° |
| O11 | CF1 | C21 | O51 | 120.3° | 120.0° |
| O11 | CF1 | C21 | H69 | 119.1° | 120.1° |
| O11 | CF1 | O51 | H69 | 119.4° | 120.1° |
| O11 | CF1 | C21 | C31 | 111.8° | 62.4° |
| O11 | CF1 | O51 | C51 | 165.0° | 58.8° |
| O11 | CF1 | C21 | H36 | 128.6° | 177.7° |
| CF1 | O11 | C4C | H48 | 11.4° | 35.6° |
| O21 | C21 | CF1 | C31 | 120.9° | 119.9° |
| O21 | C21 | CF1 | H36 | 119.5° | 120.1° |
| O21 | C21 | CF1 | O51 | 129.4° | 177.5° |
| O21 | C21 | C31 | H36 | 119.8° | 120.1° |
| O21 | C21 | C31 | O31 | 60.2° | 63.2° |
| O21 | C21 | C31 | C41 | 179.6° | 177.0° |
| O21 | C21 | C31 | H43 | 59.1° | 57.0° |
| O21 | C21 | CF1 | H69 | 110.0° | 62.5° |
| C21 | CF1 | O51 | H69 | 120.1° | 120.0° |
| CF1 | C21 | C31 | H36 | 119.4° | 119.9° |
| C21 | CF1 | O51 | C51 | 44.5° | 61.1° |
| CF1 | C21 | C31 | O31 | 179.0° | 176.8° |
| CF1 | C21 | C31 | C41 | 58.8° | 57.0° |
| CF1 | C21 | C31 | H43 | 61.7° | 63.0° |
| CF1 | C21 | O21 | H70 | 180.0° | 60.2° |
| O51 | CF1 | C21 | C31 | 8.5° | 57.6° |
| CF1 | O51 | C51 | C41 | 49.8° | 61.2° |
| CF1 | O51 | C51 | C61 | 72.1° | 178.8° |
| O51 | CF1 | C21 | H36 | 111.0° | 62.3° |
| CF1 | O51 | C51 | H49 | 169.6° | 58.9° |
| C21 | C31 | O31 | C41 | 121.8° | 119.5° |
| C21 | C31 | O31 | H43 | 118.8° | 120.1° |
| C21 | C31 | C41 | H43 | 120.2° | 119.9° |
| C21 | C31 | C41 | C51 | 53.6° | 57.0° |
| C21 | C31 | C41 | O41 | 172.9° | 176.8° |
| C21 | C31 | C41 | H45 | 67.3° | 63.0° |
| C31 | C21 | CF1 | H69 | 129.1° | 177.6° |
| C31 | C21 | O21 | H70 | 58.0° | 180.0° |
| C21 | C31 | O31 | H72 | 180.0° | 60.0° |
| O51 | C51 | C41 | C31 | 0.4° | 57.7° |
| O51 | C51 | C61 | O61 | 41.0° | 65.1° |
| O51 | C51 | C41 | C61 | 122.2° | 119.9° |
| O51 | C51 | C41 | H49 | 119.8° | 120.0° |
| O51 | C51 | C61 | H49 | 118.1° | 120.0° |
| O51 | C51 | C41 | O41 | 119.9° | 177.5° |
| O51 | C51 | C41 | H45 | 120.7° | 62.3° |
| O51 | C51 | C61 | H51 | 78.8° | 175.0° |
| O51 | C51 | C61 | H52 | 160.9° | 55.0° |
| C51 | O51 | CF1 | H69 | 75.6° | 178.9° |
| O31 | C31 | C41 | H43 | 119.6° | 120.3° |
| O31 | C31 | C41 | C51 | 173.7° | 176.8° |
| O31 | C31 | C41 | O41 | 66.9° | 63.3° |
| O31 | C31 | C21 | H36 | 59.7° | 56.9° |
| O31 | C31 | C41 | H45 | 52.8° | 56.9° |
| C31 | C41 | C51 | O41 | 119.4° | 119.8° |
| C31 | C41 | C51 | H45 | 121.2° | 119.9° |
| C31 | C41 | C51 | C61 | 122.6° | 177.6° |
| C31 | C41 | O41 | H45 | 119.5° | 120.2° |
| C41 | C31 | C21 | H36 | 60.6° | 63.0° |
| C31 | C41 | C51 | H49 | 119.3° | 62.4° |
| C41 | C31 | O31 | H72 | 58.2° | 179.6° |
| C31 | C41 | O41 | H74 | 180.0° | 60.1° |
| O61 | C61 | C51 | C41 | 165.0° | 175.0° |
| O61 | C61 | C51 | H51 | 119.8° | 120.0° |
| O61 | C61 | C51 | H52 | 119.9° | 120.0° |
| O61 | C61 | C51 | H49 | 77.1° | 54.9° |
| O61 | C61 | H51 | H52 | 120.4° | 120.0° |
| C41 | C51 | C61 | H49 | 118.0° | 120.0° |
| C51 | C41 | O41 | H45 | 118.9° | 120.2° |
| C51 | C41 | C31 | H43 | 66.7° | 62.9° |
| C41 | C51 | C61 | H51 | 45.1° | 55.0° |
| C41 | C51 | C61 | H52 | 75.2° | 65.0° |
| C51 | C41 | O41 | H74 | 58.4° | 179.7° |
| C61 | C51 | C41 | O41 | 117.9° | 62.6° |
| C61 | C51 | C41 | H45 | 1.5° | 57.7° |
| C51 | C61 | H51 | H52 | 120.5° | 120.0° |
| C51 | C61 | O61 | H75 | 180.0° | 180.0° |
| O41 | C41 | C31 | H43 | 52.7° | 56.9° |
| O41 | C41 | C51 | H49 | 0.1° | 57.4° |
| H2 | C15 | C07 | H13 | 160.8° | 174.7° |
| H2 | C15 | C14 | H30 | 96.6° | 86.5° |
| H3 | C15 | C07 | H13 | 42.2° | 54.6° |
| H3 | C15 | C14 | H30 | 21.9° | 33.6° |
| H4 | C16 | C17 | H6 | 4.1° | 55.0° |
| H5 | C16 | C17 | H6 | 123.3° | 175.5° |
| H6 | C17 | C18 | H17 | 75.0° | 63.9° |
| H6 | C17 | C18 | H18 | 45.1° | 176.3° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 17.7° | 24.2° |
| H10 | C03 | C74 | H55 | 116.2° | 119.6° |
| H11 | C04 | C05 | H23 | 127.8° | 0.4° |
| H11 | C04 | C05 | H24 | 5.5° | 122.4° |
| H12 | C06 | C07 | H13 | 174.9° | 175.6° |
| H12 | C06 | C05 | H23 | 165.1° | 32.1° |
| H12 | C06 | C05 | H24 | 42.8° | 154.1° |
| H13 | C07 | C08 | H14 | 169.8° | 177.7° |
| H14 | C08 | C09 | H25 | 177.9° | 55.6° |
| H14 | C08 | C09 | H26 | 62.4° | 174.5° |
| H15 | C10 | C09 | H25 | 165.1° | 62.3° |
| H15 | C10 | C09 | H26 | 45.5° | 56.5° |
| H16 | C10 | C09 | H25 | 46.5° | 58.5° |
| H16 | C10 | C09 | H26 | 73.1° | 177.3° |
| H17 | C18 | C19 | H19 | 64.9° | 62.8° |
| H17 | C18 | C19 | H20 | 54.7° | 57.1° |
| H18 | C18 | C19 | H19 | 175.0° | 177.3° |
| H18 | C18 | C19 | H20 | 65.4° | 62.7° |
| H21 | CG1 | C22 | H37 | 171.6° | 63.3° |
| H21 | CG1 | C22 | H38 | 53.0° | 176.7° |
| H22 | CG1 | C22 | H37 | 68.4° | 176.7° |
| H22 | CG1 | C22 | H38 | 173.0° | 56.7° |
| H27 | C12 | H28 | H29 | 120.0° | 120.0° |
| H32 | C1B | H33 | H34 | 120.0° | 120.0° |
| H35 | C1C | C2C | H42 | 135.1° | 177.7° |
| H36 | C21 | C31 | H43 | 179.0° | 177.1° |
| H36 | C21 | CF1 | H69 | 9.5° | 57.7° |
| H36 | C21 | O21 | H70 | 61.2° | 59.9° |
| H37 | C22 | C23 | H39 | 139.2° | 173.8° |
| H38 | C22 | C23 | H39 | 20.5° | 66.3° |
| H39 | C23 | C24 | H40 | 149.0° | 65.4° |
| H39 | C23 | C24 | H41 | 90.6° | 174.7° |
| H39 | C23 | C48 | H46 | 68.2° | 65.0° |
| H39 | C23 | C48 | H47 | 171.7° | 175.0° |
| H42 | C2C | C3C | H44 | 154.5° | 177.1° |
| H42 | C2C | O2C | H71 | 63.5° | 60.2° |
| H43 | C31 | C41 | H45 | 172.4° | 177.1° |
| H43 | C31 | O31 | H72 | 61.2° | 60.1° |
| H44 | C3C | C4C | H48 | 179.3° | 177.1° |
| H44 | C3C | O3C | H73 | 61.9° | 60.2° |
| H45 | C41 | C51 | H49 | 119.5° | 177.7° |
| H45 | C41 | O41 | H74 | 60.5° | 60.1° |
| H48 | C4C | C5C | H50 | 172.0° | 177.7° |
| H49 | C51 | C61 | H51 | 163.1° | 65.0° |
| H49 | C51 | C61 | H52 | 42.8° | 175.0° |
| H50 | C5C | C6C | H53 | 60.5° | 63.7° |
| H50 | C5C | C6C | H54 | 178.9° | 176.3° |
| H51 | C61 | O61 | H75 | 60.1° | 60.0° |
| H52 | C61 | O61 | H75 | 60.2° | 60.0° |
| H53 | C6C | O6C | H76 | 60.3° | 60.0° |
| H54 | C6C | O6C | H76 | 60.3° | 60.0° |
| H55 | C74 | C75 | H56 | 58.3° | 178.8° |
| H55 | C74 | C75 | H57 | 61.6° | 58.8° |
| H55 | C74 | C75 | H58 | 178.4° | 61.2° |
| H56 | C75 | H57 | H58 | 120.0° | 120.1° |
| H59 | C76 | C77 | H61 | 69.2° | 55.9° |
| H59 | C76 | C77 | H62 | 49.5° | 176.2° |
| H60 | C76 | C77 | H61 | 50.5° | 64.2° |
| H60 | C76 | C77 | H62 | 169.2° | 56.2° |
| H61 | C77 | C78 | H63 | 37.9° | 57.3° |
| H62 | C77 | C78 | H63 | 156.6° | 177.6° |
| H63 | C78 | C79 | H64 | 38.7° | 58.2° |
| H63 | C78 | C79 | H65 | 157.4° | 178.2° |
| H63 | C78 | C81 | H66 | 61.3° | 179.9° |
| H63 | C78 | C81 | H67 | 58.7° | 59.8° |
| H63 | C78 | C81 | H68 | 178.7° | 60.1° |
| H66 | C81 | H67 | H68 | 120.0° | 120.1° |
