4UH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C53 | C47 | sing | 1.54Å | 1.53Å | |
| O16 | C48 | sing | 1.43Å | 1.40Å | |
| C54 | C49 | sing | 1.53Å | 1.52Å | |
| C48 | C47 | sing | 1.52Å | 1.55Å | |
| C48 | C50 | sing | 1.53Å | 1.54Å | |
| C47 | C49 | sing | 1.54Å | 1.53Å | |
| C49 | O15 | sing | 1.45Å | 1.40Å | |
| C55 | C50 | sing | 1.52Å | 1.53Å | |
| O15 | C52 | sing | 1.34Å | 1.41Å | |
| C50 | C56 | sing | 1.50Å | 1.53Å | |
| C56 | C58 | doub | 1.33Å | 1.32Å | |
| C52 | C46 | sing | 1.51Å | 1.54Å | |
| C52 | O17 | doub | 1.21Å | 1.19Å | |
| C46 | C44 | sing | 1.53Å | 1.53Å | |
| C58 | C60 | sing | 1.42Å | 1.53Å | |
| C60 | C62 | doub | 1.35Å | 1.32Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| C44 | O14 | sing | 1.43Å | 1.39Å | |
| C62 | C64 | sing | 1.40Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C64 | C65 | doub | 1.35Å | 1.33Å | |
| C65 | C63 | sing | 1.41Å | 1.54Å | |
| C42 | C40 | sing | 1.53Å | 1.54Å | |
| C42 | O13 | sing | 1.43Å | 1.41Å | |
| C63 | C61 | doub | 1.36Å | 1.32Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| C61 | C59 | sing | 1.40Å | 1.54Å | |
| C59 | C57 | doub | 1.36Å | 1.32Å | |
| C38 | C36 | sing | 1.53Å | 1.55Å | |
| C36 | O12 | sing | 1.43Å | 1.40Å | |
| C36 | C31 | sing | 1.53Å | 1.53Å | |
| C57 | C51 | sing | 1.41Å | 1.53Å | |
| C51 | C45 | doub | 1.36Å | 1.32Å | |
| C31 | C29 | sing | 1.53Å | 1.54Å | |
| C31 | O09 | sing | 1.43Å | 1.40Å | |
| C45 | C41 | sing | 1.42Å | 1.53Å | |
| C39 | C35 | sing | 1.53Å | 1.52Å | |
| C29 | C26 | sing | 1.53Å | 1.53Å | |
| C41 | C37 | doub | 1.34Å | 1.32Å | |
| C37 | C27 | sing | 1.51Å | 1.52Å | |
| C35 | O05 | sing | 1.43Å | 1.40Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C27 | C25 | sing | 1.53Å | 1.56Å | |
| C27 | O04 | sing | 1.43Å | 1.41Å | |
| C26 | C24 | sing | 1.53Å | 1.55Å | |
| C26 | O06 | sing | 1.43Å | 1.39Å | |
| O05 | C30 | sing | 1.43Å | 1.39Å | |
| C25 | C20 | sing | 1.53Å | 1.51Å | |
| O11 | C34 | sing | 1.43Å | 1.39Å | |
| O01 | C19 | sing | 1.42Å | 1.47Å | |
| O01 | C20 | sing | 1.43Å | 1.46Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| C30 | O04 | sing | 1.43Å | 1.41Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C19 | O02 | sing | 1.43Å | 1.41Å | |
| C19 | C23 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C28 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | N18 | sing | 1.47Å | 1.45Å | |
| C32 | O10 | sing | 1.43Å | 1.38Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O08 | C28 | doub | 1.21Å | 1.27Å | |
| C28 | O07 | sing | 1.34Å | 1.27Å | |
| C22 | O03 | sing | 1.43Å | 1.42Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.10Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C39 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C44 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.08Å | 1.08Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C48 | H38 | sing | 1.10Å | 1.10Å | |
| C49 | H39 | sing | 1.08Å | 1.10Å | |
| C50 | H40 | sing | 1.10Å | 1.10Å | |
| C51 | H41 | sing | 1.07Å | 1.08Å | |
| C53 | H42 | sing | 1.09Å | 1.10Å | |
| C53 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | H44 | sing | 1.09Å | 1.10Å | |
| C54 | H45 | sing | 1.09Å | 1.10Å | |
| C54 | H46 | sing | 1.09Å | 1.10Å | |
| C54 | H47 | sing | 1.09Å | 1.10Å | |
| C55 | H48 | sing | 1.09Å | 1.10Å | |
| C55 | H49 | sing | 1.09Å | 1.10Å | |
| C55 | H50 | sing | 1.09Å | 1.10Å | |
| C56 | H51 | sing | 1.09Å | 1.08Å | |
| C57 | H52 | sing | 1.08Å | 1.08Å | |
| C58 | H53 | sing | 1.08Å | 1.08Å | |
| C59 | H54 | sing | 1.07Å | 1.08Å | |
| C60 | H55 | sing | 1.09Å | 1.08Å | |
| C61 | H56 | sing | 1.08Å | 1.08Å | |
| C62 | H57 | sing | 1.08Å | 1.08Å | |
| C63 | H58 | sing | 1.07Å | 1.08Å | |
| C64 | H59 | sing | 1.08Å | 1.08Å | |
| C65 | H60 | sing | 1.08Å | 1.08Å | |
| N18 | H61 | sing | 1.01Å | 1.00Å | |
| N18 | H62 | sing | 1.01Å | 1.00Å | |
| O02 | H64 | sing | 0.97Å | 0.95Å | |
| O03 | H65 | sing | 0.97Å | 0.95Å | |
| O06 | H66 | sing | 0.97Å | 0.95Å | |
| O07 | H67 | sing | 0.97Å | 0.95Å | |
| O09 | H68 | sing | 0.97Å | 0.95Å | |
| O10 | H69 | sing | 0.97Å | 0.95Å | |
| O11 | H70 | sing | 0.97Å | 0.95Å | |
| O12 | H71 | sing | 0.97Å | 0.95Å | |
| O13 | H72 | sing | 0.97Å | 0.95Å | |
| O14 | H73 | sing | 0.97Å | 0.95Å | |
| O16 | H74 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C53 | C47 | C48 | 110.8° | 109.6° |
| C53 | C47 | C49 | 108.1° | 106.9° |
| C53 | C47 | H37 | 108.1° | 109.4° |
| C47 | C53 | H42 | 109.5° | 109.5° |
| C47 | C53 | H43 | 109.4° | 109.5° |
| C47 | C53 | H44 | 109.5° | 109.5° |
| O16 | C48 | C47 | 111.4° | 110.0° |
| O16 | C48 | C50 | 110.3° | 108.8° |
| O16 | C48 | H38 | 109.2° | 107.4° |
| C48 | O16 | H74 | 109.5° | 114.0° |
| C54 | C49 | C47 | 111.8° | 108.9° |
| C54 | C49 | O15 | 106.8° | 108.1° |
| C54 | C49 | H39 | 109.7° | 110.3° |
| C49 | C54 | H45 | 109.5° | 109.4° |
| C49 | C54 | H46 | 109.4° | 109.4° |
| C49 | C54 | H47 | 109.5° | 109.4° |
| C47 | C48 | C50 | 111.1° | 113.5° |
| C48 | C47 | C49 | 113.7° | 110.7° |
| C48 | C47 | H37 | 107.9° | 111.9° |
| C47 | C48 | H38 | 107.3° | 108.7° |
| C48 | C50 | C55 | 109.8° | 112.3° |
| C48 | C50 | C56 | 108.3° | 109.7° |
| C50 | C48 | H38 | 107.4° | 108.2° |
| C48 | C50 | H40 | 109.0° | 108.4° |
| C47 | C49 | O15 | 107.4° | 107.8° |
| C49 | C47 | H37 | 108.1° | 108.2° |
| C47 | C49 | H39 | 109.6° | 111.1° |
| C49 | O15 | C52 | 115.5° | 118.8° |
| O15 | C49 | H39 | 111.5° | 110.5° |
| C55 | C50 | C56 | 111.2° | 110.1° |
| C55 | C50 | H40 | 109.2° | 107.8° |
| C50 | C55 | H48 | 109.5° | 109.5° |
| C50 | C55 | H49 | 109.5° | 109.5° |
| C50 | C55 | H50 | 109.5° | 109.5° |
| O15 | C52 | C46 | 119.0° | 119.5° |
| O15 | C52 | O17 | 120.4° | 121.0° |
| C50 | C56 | C58 | 123.2° | 121.5° |
| C56 | C50 | H40 | 109.2° | 108.4° |
| C50 | C56 | H51 | 118.4° | 120.1° |
| C56 | C58 | C60 | 116.3° | 118.2° |
| C58 | C56 | H51 | 118.4° | 118.4° |
| C56 | C58 | H53 | 121.9° | 121.3° |
| C46 | C52 | O17 | 120.6° | 119.5° |
| C52 | C46 | C44 | 109.6° | 109.4° |
| C52 | C46 | H35 | 109.4° | 109.5° |
| C52 | C46 | H36 | 109.4° | 109.1° |
| C46 | C44 | C43 | 109.3° | 109.8° |
| C46 | C44 | O14 | 108.9° | 109.8° |
| C46 | C44 | H33 | 108.8° | 109.5° |
| C44 | C46 | H35 | 109.4° | 109.3° |
| C44 | C46 | H36 | 109.4° | 109.8° |
| C58 | C60 | C62 | 120.8° | 121.9° |
| C60 | C58 | H53 | 121.8° | 120.5° |
| C58 | C60 | H55 | 119.6° | 118.8° |
| C60 | C62 | C64 | 119.4° | 119.5° |
| C62 | C60 | H55 | 119.6° | 119.3° |
| C60 | C62 | H57 | 120.3° | 120.4° |
| C43 | C44 | O14 | 110.3° | 109.2° |
| C44 | C43 | C42 | 111.6° | 109.6° |
| C44 | C43 | H31 | 108.9° | 109.1° |
| C44 | C43 | H32 | 108.9° | 110.0° |
| C43 | C44 | H33 | 108.7° | 108.9° |
| O14 | C44 | H33 | 110.9° | 109.7° |
| C44 | O14 | H73 | 109.5° | 114.0° |
| C62 | C64 | C65 | 119.3° | 120.8° |
| C64 | C62 | H57 | 120.3° | 120.1° |
| C62 | C64 | H59 | 120.3° | 119.4° |
| C43 | C42 | C40 | 108.4° | 109.6° |
| C43 | C42 | O13 | 111.5° | 109.4° |
| C43 | C42 | H30 | 107.9° | 109.8° |
| C42 | C43 | H31 | 108.9° | 109.3° |
| C42 | C43 | H32 | 108.9° | 109.5° |
| C64 | C65 | C63 | 120.3° | 120.6° |
| C65 | C64 | H59 | 120.3° | 119.9° |
| C64 | C65 | H60 | 119.8° | 120.2° |
| C65 | C63 | C61 | 120.8° | 117.3° |
| C65 | C63 | H58 | 119.6° | 119.6° |
| C63 | C65 | H60 | 119.9° | 119.1° |
| C40 | C42 | O13 | 111.4° | 109.7° |
| C42 | C40 | C38 | 111.7° | 109.7° |
| C42 | C40 | H27 | 108.9° | 109.6° |
| C42 | C40 | H28 | 108.9° | 109.4° |
| C40 | C42 | H30 | 107.9° | 109.2° |
| O13 | C42 | H30 | 109.7° | 109.2° |
| C42 | O13 | H72 | 109.5° | 114.0° |
| C63 | C61 | C59 | 120.1° | 119.8° |
| C63 | C61 | H56 | 119.9° | 119.6° |
| C61 | C63 | H58 | 119.6° | 122.7° |
| C40 | C38 | C36 | 110.1° | 109.5° |
| C40 | C38 | H22 | 109.3° | 109.5° |
| C40 | C38 | H23 | 109.3° | 109.8° |
| C38 | C40 | H27 | 108.9° | 109.3° |
| C38 | C40 | H28 | 108.9° | 109.4° |
| C61 | C59 | C57 | 120.7° | 117.4° |
| C61 | C59 | H54 | 119.6° | 120.3° |
| C59 | C61 | H56 | 119.9° | 120.5° |
| C59 | C57 | C51 | 120.4° | 121.1° |
| C59 | C57 | H52 | 119.8° | 119.4° |
| C57 | C59 | H54 | 119.7° | 122.1° |
| C38 | C36 | O12 | 111.3° | 109.5° |
| C38 | C36 | C31 | 109.8° | 109.4° |
| C38 | C36 | H20 | 108.3° | 109.6° |
| C36 | C38 | H22 | 109.3° | 109.3° |
| C36 | C38 | H23 | 109.3° | 109.3° |
| O12 | C36 | C31 | 108.5° | 109.6° |
| O12 | C36 | H20 | 110.3° | 109.3° |
| C36 | O12 | H71 | 109.5° | 114.0° |
| C36 | C31 | C29 | 109.5° | 109.9° |
| C36 | C31 | O09 | 108.3° | 109.7° |
| C36 | C31 | H15 | 109.8° | 109.2° |
| C31 | C36 | H20 | 108.5° | 109.5° |
| C57 | C51 | C45 | 119.6° | 117.4° |
| C57 | C51 | H41 | 120.2° | 120.9° |
| C51 | C57 | H52 | 119.8° | 119.5° |
| C51 | C45 | C41 | 120.9° | 121.2° |
| C51 | C45 | H34 | 119.6° | 119.0° |
| C45 | C51 | H41 | 120.2° | 121.6° |
| C29 | C31 | O09 | 107.6° | 109.2° |
| C31 | C29 | C26 | 110.3° | 109.0° |
| C31 | C29 | H12 | 109.3° | 109.8° |
| C31 | C29 | H13 | 109.3° | 109.6° |
| C29 | C31 | H15 | 109.7° | 109.4° |
| O09 | C31 | H15 | 111.8° | 109.5° |
| C31 | O09 | H68 | 109.5° | 114.0° |
| C45 | C41 | C37 | 116.9° | 118.9° |
| C45 | C41 | H29 | 121.6° | 120.2° |
| C41 | C45 | H34 | 119.5° | 119.8° |
| C39 | C35 | O05 | 109.0° | 109.5° |
| C39 | C35 | C34 | 107.9° | 109.5° |
| C39 | C35 | H19 | 109.3° | 109.5° |
| C35 | C39 | H24 | 109.5° | 109.5° |
| C35 | C39 | H25 | 109.5° | 109.5° |
| C35 | C39 | H26 | 109.5° | 109.5° |
| C29 | C26 | C24 | 108.0° | 109.5° |
| C29 | C26 | O06 | 110.6° | 109.2° |
| C29 | C26 | H10 | 109.5° | 108.8° |
| C26 | C29 | H12 | 109.3° | 109.1° |
| C26 | C29 | H13 | 109.3° | 109.5° |
| C41 | C37 | C27 | 122.6° | 120.5° |
| C41 | C37 | H21 | 118.7° | 119.7° |
| C37 | C41 | H29 | 121.6° | 120.9° |
| C37 | C27 | C25 | 112.5° | 108.5° |
| C37 | C27 | O04 | 111.1° | 108.6° |
| C37 | C27 | H11 | 106.5° | 109.0° |
| C27 | C37 | H21 | 118.7° | 119.8° |
| O05 | C35 | C34 | 110.2° | 109.4° |
| C35 | O05 | C30 | 109.9° | 114.1° |
| O05 | C35 | H19 | 111.1° | 109.4° |
| C35 | C34 | O11 | 108.8° | 109.6° |
| C35 | C34 | C33 | 111.0° | 109.2° |
| C35 | C34 | H18 | 109.2° | 109.5° |
| C34 | C35 | H19 | 109.2° | 109.5° |
| C25 | C27 | O04 | 112.2° | 111.1° |
| C27 | C25 | C20 | 114.4° | 112.1° |
| C27 | C25 | H8 | 108.3° | 108.8° |
| C27 | C25 | H9 | 108.3° | 109.4° |
| C25 | C27 | H11 | 106.2° | 109.9° |
| C27 | O04 | C30 | 112.6° | 114.0° |
| O04 | C27 | H11 | 107.9° | 109.6° |
| C24 | C26 | O06 | 107.7° | 109.6° |
| C26 | C24 | C19 | 113.1° | 110.3° |
| C26 | C24 | H6 | 108.6° | 109.4° |
| C26 | C24 | H7 | 108.6° | 109.4° |
| C24 | C26 | H10 | 109.3° | 109.9° |
| O06 | C26 | H10 | 111.7° | 109.9° |
| C26 | O06 | H66 | 109.5° | 114.0° |
| O05 | C30 | O04 | 109.9° | 109.5° |
| O05 | C30 | C32 | 108.8° | 109.4° |
| O05 | C30 | H14 | 109.1° | 109.5° |
| C25 | C20 | O01 | 107.6° | 108.0° |
| C25 | C20 | C21 | 111.8° | 109.5° |
| C25 | C20 | H1 | 108.8° | 110.9° |
| C20 | C25 | H8 | 108.2° | 108.8° |
| C20 | C25 | H9 | 108.2° | 109.8° |
| O11 | C34 | C33 | 107.5° | 109.6° |
| O11 | C34 | H18 | 111.0° | 109.6° |
| C34 | O11 | H70 | 109.5° | 114.0° |
| C19 | O01 | C20 | 116.7° | 115.5° |
| O01 | C19 | C24 | 118.8° | 109.0° |
| O01 | C19 | O02 | 87.6° | 109.8° |
| O01 | C19 | C23 | 123.1° | 109.3° |
| O01 | C20 | C21 | 110.7° | 109.5° |
| O01 | C20 | H1 | 109.4° | 109.3° |
| C24 | C19 | O02 | 88.7° | 110.1° |
| C24 | C19 | C23 | 117.5° | 109.1° |
| C19 | C24 | H6 | 108.5° | 109.4° |
| C19 | C24 | H7 | 108.6° | 109.3° |
| O04 | C30 | C32 | 113.1° | 109.5° |
| O04 | C30 | H14 | 108.8° | 109.4° |
| C30 | C32 | C33 | 108.9° | 109.1° |
| C30 | C32 | O10 | 108.2° | 109.5° |
| C32 | C30 | H14 | 107.2° | 109.5° |
| C30 | C32 | H16 | 110.1° | 109.5° |
| C34 | C33 | C32 | 109.2° | 109.1° |
| C34 | C33 | N18 | 107.2° | 109.5° |
| C34 | C33 | H17 | 109.8° | 109.6° |
| C33 | C34 | H18 | 109.3° | 109.5° |
| O02 | C19 | C23 | 86.3° | 109.5° |
| C19 | O02 | H64 | 109.5° | 114.1° |
| C19 | C23 | C22 | 114.4° | 109.4° |
| C19 | C23 | H4 | 108.2° | 109.4° |
| C19 | C23 | H5 | 108.2° | 109.2° |
| C20 | C21 | C28 | 113.8° | 109.7° |
| C20 | C21 | C22 | 108.9° | 109.6° |
| C21 | C20 | H1 | 108.5° | 109.5° |
| C20 | C21 | H2 | 108.9° | 109.6° |
| C28 | C21 | C22 | 107.4° | 108.8° |
| C21 | C28 | O08 | 120.6° | 120.0° |
| C21 | C28 | O07 | 121.1° | 120.0° |
| C28 | C21 | H2 | 108.6° | 109.5° |
| C21 | C22 | C23 | 113.4° | 109.8° |
| C21 | C22 | O03 | 108.5° | 109.1° |
| C22 | C21 | H2 | 109.2° | 109.7° |
| C21 | C22 | H3 | 108.3° | 109.4° |
| C32 | C33 | N18 | 110.3° | 109.6° |
| C33 | C32 | O10 | 107.0° | 109.5° |
| C33 | C32 | H16 | 110.2° | 109.6° |
| C32 | C33 | H17 | 109.6° | 109.6° |
| N18 | C33 | H17 | 110.7° | 109.5° |
| C33 | N18 | H61 | 109.5° | 111.0° |
| C33 | N18 | H62 | 109.5° | 111.0° |
| O10 | C32 | H16 | 112.4° | 109.6° |
| C32 | O10 | H69 | 109.5° | 114.0° |
| C23 | C22 | O03 | 108.8° | 109.4° |
| C23 | C22 | H3 | 108.2° | 109.6° |
| C22 | C23 | H4 | 108.2° | 109.6° |
| C22 | C23 | H5 | 108.2° | 109.5° |
| O08 | C28 | O07 | 118.2° | 120.0° |
| C28 | O07 | H67 | 109.5° | 117.0° |
| O03 | C22 | H3 | 109.6° | 109.5° |
| C22 | O03 | H65 | 109.5° | 114.0° |
| H4 | C23 | H5 | 109.5° | 109.8° |
| H6 | C24 | H7 | 109.4° | 109.0° |
| H8 | C25 | H9 | 109.5° | 107.8° |
| H12 | C29 | H13 | 109.5° | 109.7° |
| H22 | C38 | H23 | 109.5° | 109.4° |
| H24 | C39 | H25 | 109.5° | 109.5° |
| H24 | C39 | H26 | 109.4° | 109.4° |
| H25 | C39 | H26 | 109.4° | 109.4° |
| H27 | C40 | H28 | 109.5° | 109.4° |
| H31 | C43 | H32 | 109.5° | 109.3° |
| H35 | C46 | H36 | 109.5° | 109.8° |
| H42 | C53 | H43 | 109.5° | 109.5° |
| H42 | C53 | H44 | 109.5° | 109.5° |
| H43 | C53 | H44 | 109.5° | 109.4° |
| H45 | C54 | H46 | 109.5° | 109.5° |
| H45 | C54 | H47 | 109.4° | 109.5° |
| H46 | C54 | H47 | 109.5° | 109.5° |
| H48 | C55 | H49 | 109.5° | 109.4° |
| H48 | C55 | H50 | 109.5° | 109.5° |
| H49 | C55 | H50 | 109.5° | 109.5° |
| H61 | N18 | H62 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C53 | C47 | C48 | O16 | 77.3° | 140.7° |
| C53 | C47 | C49 | C54 | 41.8° | 54.2° |
| C53 | C47 | C48 | C49 | 121.9° | 117.7° |
| C53 | C47 | C48 | H37 | 118.2° | 121.5° |
| C53 | C47 | C48 | C50 | 159.3° | 97.1° |
| C53 | C47 | C49 | H37 | 116.8° | 117.7° |
| C53 | C47 | C49 | O15 | 75.0° | 62.9° |
| C53 | C47 | C48 | H38 | 42.2° | 23.3° |
| C53 | C47 | C49 | H39 | 163.7° | 175.9° |
| C47 | C53 | H42 | H43 | 120.0° | 120.0° |
| C47 | C53 | H42 | H44 | 120.0° | 120.0° |
| C47 | C53 | H43 | H44 | 120.0° | 120.0° |
| O16 | C48 | C47 | C50 | 123.4° | 122.2° |
| O16 | C48 | C47 | H38 | 119.5° | 117.4° |
| O16 | C48 | C50 | H38 | 118.9° | 116.4° |
| O16 | C48 | C47 | C49 | 44.7° | 22.9° |
| O16 | C48 | C50 | C55 | 73.8° | 159.3° |
| O16 | C48 | C50 | C56 | 164.6° | 36.5° |
| O16 | C48 | C47 | H37 | 164.6° | 97.8° |
| O16 | C48 | C50 | H40 | 45.8° | 81.7° |
| C54 | C49 | C47 | C48 | 81.6° | 65.1° |
| C54 | C49 | C47 | O15 | 116.8° | 117.1° |
| C54 | C49 | C47 | H39 | 121.9° | 121.7° |
| C54 | C49 | O15 | H39 | 119.9° | 120.8° |
| C54 | C49 | O15 | C52 | 130.0° | 77.9° |
| C54 | C49 | C47 | H37 | 158.6° | 171.9° |
| C49 | C54 | H45 | H46 | 120.0° | 120.0° |
| C49 | C54 | H45 | H47 | 120.0° | 120.0° |
| C49 | C54 | H46 | H47 | 120.0° | 120.0° |
| C47 | C48 | C50 | H38 | 117.1° | 120.7° |
| C48 | C47 | C49 | H37 | 119.8° | 122.9° |
| C48 | C47 | C49 | O15 | 161.6° | 177.8° |
| C47 | C48 | C50 | C55 | 162.2° | 36.4° |
| C47 | C48 | C50 | C56 | 40.6° | 86.3° |
| C48 | C47 | C49 | H39 | 40.3° | 56.6° |
| C47 | C48 | C50 | H40 | 78.2° | 155.4° |
| C48 | C47 | C53 | H42 | 180.0° | 180.0° |
| C48 | C47 | C53 | H43 | 60.0° | 59.9° |
| C48 | C47 | C53 | H44 | 60.0° | 60.0° |
| C47 | C48 | O16 | H74 | 180.0° | 180.0° |
| C50 | C48 | C47 | C49 | 78.8° | 145.1° |
| C48 | C50 | C55 | C56 | 119.9° | 122.5° |
| C48 | C50 | C55 | H40 | 119.5° | 119.4° |
| C48 | C50 | C56 | H40 | 118.6° | 118.2° |
| C48 | C50 | C56 | C58 | 144.7° | 171.7° |
| C50 | C48 | C47 | H37 | 41.1° | 24.4° |
| C48 | C50 | C55 | H48 | 180.0° | 60.0° |
| C48 | C50 | C55 | H49 | 60.0° | 180.0° |
| C48 | C50 | C55 | H50 | 60.0° | 60.0° |
| C48 | C50 | C56 | H51 | 35.3° | 7.7° |
| C50 | C48 | O16 | H74 | 56.1° | 55.0° |
| C47 | C49 | O15 | H39 | 120.1° | 121.6° |
| C47 | C49 | O15 | C52 | 109.9° | 164.4° |
| C49 | C47 | C48 | H38 | 164.1° | 94.5° |
| C49 | C47 | C53 | H42 | 54.8° | 60.0° |
| C49 | C47 | C53 | H43 | 174.8° | 180.0° |
| C49 | C47 | C53 | H44 | 65.2° | 60.0° |
| C47 | C49 | C54 | H45 | 180.0° | 60.0° |
| C47 | C49 | C54 | H46 | 60.0° | 180.0° |
| C47 | C49 | C54 | H47 | 60.0° | 60.0° |
| C49 | O15 | C52 | C46 | 172.1° | 174.1° |
| C49 | O15 | C52 | O17 | 7.4° | 6.0° |
| O15 | C49 | C47 | H37 | 41.8° | 54.8° |
| O15 | C49 | C54 | H45 | 62.8° | 176.9° |
| O15 | C49 | C54 | H46 | 57.2° | 63.1° |
| O15 | C49 | C54 | H47 | 177.2° | 56.9° |
| C55 | C50 | C56 | H40 | 120.6° | 117.7° |
| C55 | C50 | C56 | C58 | 94.5° | 47.7° |
| C55 | C50 | C48 | H38 | 45.1° | 84.3° |
| C50 | C55 | H48 | H49 | 120.0° | 120.0° |
| C50 | C55 | H48 | H50 | 120.0° | 120.1° |
| C50 | C55 | H49 | H50 | 120.0° | 120.0° |
| C55 | C50 | C56 | H51 | 85.4° | 131.7° |
| O15 | C52 | C46 | O17 | 179.5° | 179.9° |
| O15 | C52 | C46 | C44 | 161.6° | 159.2° |
| O15 | C52 | C46 | H35 | 41.5° | 39.5° |
| O15 | C52 | C46 | H36 | 78.5° | 80.7° |
| C52 | O15 | C49 | H39 | 10.2° | 42.8° |
| C50 | C56 | C58 | H51 | 180.0° | 179.4° |
| C50 | C56 | C58 | C60 | 178.1° | 179.6° |
| C56 | C50 | C48 | H38 | 76.5° | 152.9° |
| C56 | C50 | C55 | H48 | 60.1° | 62.5° |
| C56 | C50 | C55 | H49 | 179.9° | 57.5° |
| C56 | C50 | C55 | H50 | 59.9° | 177.5° |
| C50 | C56 | C58 | H53 | 1.9° | 0.2° |
| C56 | C58 | C60 | H53 | 180.0° | 179.5° |
| C56 | C58 | C60 | C62 | 152.7° | 162.9° |
| C58 | C56 | C50 | H40 | 26.1° | 70.0° |
| C56 | C58 | C60 | H55 | 27.3° | 16.8° |
| C52 | C46 | C44 | H35 | 120.0° | 119.8° |
| C52 | C46 | C44 | H36 | 120.0° | 119.7° |
| C52 | C46 | C44 | C43 | 170.4° | 168.2° |
| C52 | C46 | C44 | O14 | 69.1° | 71.7° |
| C52 | C46 | C44 | H33 | 51.8° | 48.8° |
| C52 | C46 | H35 | H36 | 120.0° | 119.8° |
| O17 | C52 | C46 | C44 | 18.9° | 21.0° |
| O17 | C52 | C46 | H35 | 138.9° | 140.6° |
| O17 | C52 | C46 | H36 | 101.1° | 99.2° |
| C46 | C44 | C43 | O14 | 119.6° | 120.4° |
| C46 | C44 | C43 | H33 | 118.6° | 119.8° |
| C46 | C44 | O14 | H33 | 119.7° | 120.3° |
| C46 | C44 | C43 | C42 | 172.8° | 129.2° |
| C46 | C44 | C43 | H31 | 52.5° | 111.1° |
| C46 | C44 | C43 | H32 | 66.8° | 8.8° |
| C44 | C46 | H35 | H36 | 119.9° | 120.5° |
| C46 | C44 | O14 | H73 | 51.6° | 59.6° |
| C58 | C60 | C62 | H55 | 180.0° | 179.7° |
| C58 | C60 | C62 | C64 | 177.9° | 179.3° |
| C60 | C58 | C56 | H51 | 2.0° | 0.9° |
| C58 | C60 | C62 | H57 | 2.1° | 0.5° |
| C60 | C62 | C64 | H57 | 180.0° | 179.7° |
| C60 | C62 | C64 | C65 | 169.6° | 153.9° |
| C62 | C60 | C58 | H53 | 27.3° | 17.6° |
| C60 | C62 | C64 | H59 | 10.4° | 26.2° |
| C43 | C44 | O14 | H33 | 120.5° | 119.2° |
| C44 | C43 | C42 | H31 | 120.3° | 119.5° |
| C44 | C43 | C42 | H32 | 120.3° | 120.7° |
| C44 | C43 | C42 | C40 | 158.1° | 129.9° |
| C44 | C43 | C42 | O13 | 35.2° | 109.9° |
| C44 | C43 | C42 | H30 | 85.3° | 9.9° |
| C44 | C43 | H31 | H32 | 119.0° | 120.3° |
| C43 | C44 | C46 | H35 | 50.4° | 72.0° |
| C43 | C44 | C46 | H36 | 69.6° | 48.5° |
| C43 | C44 | O14 | H73 | 171.5° | 180.0° |
| O14 | C44 | C43 | C42 | 67.5° | 110.3° |
| O14 | C44 | C43 | H31 | 172.1° | 9.3° |
| O14 | C44 | C43 | H32 | 52.8° | 129.2° |
| O14 | C44 | C46 | H35 | 170.9° | 48.1° |
| O14 | C44 | C46 | H36 | 50.9° | 168.6° |
| C62 | C64 | C65 | H59 | 180.0° | 179.8° |
| C62 | C64 | C65 | C63 | 178.9° | 176.5° |
| C64 | C62 | C60 | H55 | 2.1° | 0.5° |
| C62 | C64 | C65 | H60 | 1.1° | 3.8° |
| C43 | C42 | C40 | O13 | 122.9° | 120.1° |
| C43 | C42 | C40 | H30 | 116.6° | 120.3° |
| C43 | C42 | O13 | H30 | 119.5° | 120.2° |
| C43 | C42 | C40 | C38 | 166.5° | 173.9° |
| C43 | C42 | C40 | H27 | 46.1° | 66.1° |
| C43 | C42 | C40 | H28 | 73.2° | 53.9° |
| C42 | C43 | H31 | H32 | 119.0° | 119.9° |
| C42 | C43 | C44 | H33 | 54.2° | 9.4° |
| C43 | C42 | O13 | H72 | 180.0° | 59.9° |
| C64 | C65 | C63 | H60 | 180.0° | 179.7° |
| C64 | C65 | C63 | C61 | 172.8° | 154.1° |
| C65 | C64 | C62 | H57 | 10.4° | 25.8° |
| C64 | C65 | C63 | H58 | 7.1° | 19.5° |
| C65 | C63 | C61 | H58 | 180.0° | 173.4° |
| C65 | C63 | C61 | C59 | 179.2° | 159.0° |
| C65 | C63 | C61 | H56 | 0.9° | 18.1° |
| C63 | C65 | C64 | H59 | 1.1° | 3.7° |
| C40 | C42 | O13 | H30 | 119.4° | 119.6° |
| C42 | C40 | C38 | H27 | 120.3° | 120.2° |
| C42 | C40 | C38 | H28 | 120.3° | 120.0° |
| C42 | C40 | C38 | C36 | 171.1° | 170.4° |
| C42 | C40 | C38 | H22 | 51.0° | 50.6° |
| C42 | C40 | C38 | H23 | 68.8° | 69.6° |
| C42 | C40 | H27 | H28 | 119.0° | 120.0° |
| C40 | C42 | C43 | H31 | 81.6° | 110.6° |
| C40 | C42 | C43 | H32 | 37.8° | 9.2° |
| C40 | C42 | O13 | H72 | 58.8° | 180.0° |
| O13 | C42 | C40 | C38 | 70.6° | 66.0° |
| O13 | C42 | C40 | H27 | 169.1° | 54.0° |
| O13 | C42 | C40 | H28 | 49.8° | 174.0° |
| O13 | C42 | C43 | H31 | 155.5° | 9.6° |
| O13 | C42 | C43 | H32 | 85.1° | 129.4° |
| C63 | C61 | C59 | H56 | 180.0° | 177.1° |
| C63 | C61 | C59 | C57 | 173.9° | 145.5° |
| C63 | C61 | C59 | H54 | 6.1° | 28.6° |
| C61 | C63 | C65 | H60 | 7.2° | 26.2° |
| C40 | C38 | C36 | H22 | 120.1° | 119.9° |
| C40 | C38 | C36 | H23 | 120.1° | 120.3° |
| C40 | C38 | C36 | O12 | 70.8° | 89.7° |
| C40 | C38 | C36 | C31 | 169.0° | 150.2° |
| C40 | C38 | C36 | H20 | 50.6° | 30.2° |
| C40 | C38 | H22 | H23 | 119.7° | 120.4° |
| C38 | C40 | H27 | H28 | 119.0° | 119.8° |
| C38 | C40 | C42 | H30 | 49.9° | 53.6° |
| C61 | C59 | C57 | H54 | 180.0° | 174.0° |
| C61 | C59 | C57 | C51 | 178.8° | 162.0° |
| C61 | C59 | C57 | H52 | 1.2° | 16.5° |
| C59 | C61 | C63 | H58 | 0.8° | 14.4° |
| C59 | C57 | C51 | H52 | 180.0° | 178.4° |
| C59 | C57 | C51 | C45 | 178.7° | 161.0° |
| C59 | C57 | C51 | H41 | 1.3° | 14.3° |
| C57 | C59 | C61 | H56 | 6.1° | 31.5° |
| C38 | C36 | O12 | C31 | 121.0° | 120.0° |
| C38 | C36 | O12 | H20 | 120.3° | 120.0° |
| C38 | C36 | C31 | H20 | 118.3° | 120.1° |
| C38 | C36 | C31 | C29 | 172.4° | 167.9° |
| C38 | C36 | C31 | O09 | 70.5° | 47.9° |
| C38 | C36 | C31 | H15 | 51.8° | 72.1° |
| C36 | C38 | H22 | H23 | 119.7° | 119.7° |
| C36 | C38 | C40 | H27 | 68.5° | 69.4° |
| C36 | C38 | C40 | H28 | 50.8° | 50.4° |
| C38 | C36 | O12 | H71 | 180.0° | 60.0° |
| O12 | C36 | C31 | H20 | 119.8° | 119.9° |
| O12 | C36 | C31 | C29 | 65.8° | 47.9° |
| O12 | C36 | C31 | O09 | 51.4° | 72.2° |
| O12 | C36 | C31 | H15 | 173.7° | 167.9° |
| O12 | C36 | C38 | H22 | 49.3° | 150.4° |
| O12 | C36 | C38 | H23 | 169.1° | 30.7° |
| C36 | C31 | C29 | O09 | 117.6° | 120.4° |
| C36 | C31 | C29 | H15 | 120.6° | 119.9° |
| C36 | C31 | O09 | H15 | 121.1° | 119.8° |
| C36 | C31 | C29 | C26 | 173.7° | 172.2° |
| C36 | C31 | C29 | H12 | 53.6° | 68.3° |
| C36 | C31 | C29 | H13 | 66.2° | 52.3° |
| C31 | C36 | C38 | H22 | 70.9° | 30.3° |
| C31 | C36 | C38 | H23 | 48.9° | 89.5° |
| C36 | C31 | O09 | H68 | 180.0° | 173.2° |
| C31 | C36 | O12 | H71 | 59.0° | 180.0° |
| C57 | C51 | C45 | H41 | 180.0° | 175.3° |
| C57 | C51 | C45 | C41 | 179.3° | 165.4° |
| C57 | C51 | C45 | H34 | 0.7° | 13.7° |
| C51 | C57 | C59 | H54 | 1.1° | 12.0° |
| C51 | C45 | C41 | H34 | 180.0° | 179.1° |
| C51 | C45 | C41 | C37 | 158.9° | 170.8° |
| C51 | C45 | C41 | H29 | 21.1° | 6.4° |
| C45 | C51 | C57 | H52 | 1.3° | 17.4° |
| C29 | C31 | O09 | H15 | 120.5° | 119.7° |
| C31 | C29 | C26 | H12 | 120.1° | 119.9° |
| C31 | C29 | C26 | H13 | 120.1° | 120.0° |
| C31 | C29 | C26 | C24 | 169.8° | 155.3° |
| C31 | C29 | C26 | O06 | 52.2° | 84.7° |
| C31 | C29 | C26 | H10 | 71.3° | 35.2° |
| C31 | C29 | H12 | H13 | 119.6° | 120.6° |
| C29 | C31 | C36 | H20 | 54.1° | 72.0° |
| C29 | C31 | O09 | H68 | 61.7° | 66.3° |
| O09 | C31 | C29 | C26 | 68.7° | 67.4° |
| O09 | C31 | C29 | H12 | 171.1° | 52.0° |
| O09 | C31 | C29 | H13 | 51.4° | 172.6° |
| O09 | C31 | C36 | H20 | 171.2° | 167.9° |
| C45 | C41 | C37 | H29 | 180.0° | 177.2° |
| C45 | C41 | C37 | C27 | 179.0° | 174.0° |
| C45 | C41 | C37 | H21 | 1.1° | 5.8° |
| C41 | C45 | C51 | H41 | 0.7° | 9.9° |
| C39 | C35 | O05 | C34 | 118.3° | 120.0° |
| C39 | C35 | O05 | H19 | 120.5° | 120.0° |
| C39 | C35 | C34 | H19 | 118.7° | 120.1° |
| C39 | C35 | O05 | C30 | 175.8° | 178.9° |
| C39 | C35 | C34 | O11 | 66.6° | 62.4° |
| C39 | C35 | C34 | C33 | 175.3° | 177.6° |
| C39 | C35 | C34 | H18 | 54.8° | 57.7° |
| C35 | C39 | H24 | H25 | 120.0° | 120.1° |
| C35 | C39 | H24 | H26 | 120.0° | 120.0° |
| C35 | C39 | H25 | H26 | 120.0° | 120.0° |
| C29 | C26 | C24 | O06 | 119.4° | 119.7° |
| C29 | C26 | C24 | H10 | 119.1° | 119.4° |
| C29 | C26 | O06 | H10 | 122.2° | 119.2° |
| C29 | C26 | C24 | C19 | 151.1° | 167.7° |
| C29 | C26 | C24 | H6 | 30.6° | 71.9° |
| C29 | C26 | C24 | H7 | 88.3° | 47.4° |
| C26 | C29 | H12 | H13 | 119.6° | 120.0° |
| C26 | C29 | C31 | H15 | 53.1° | 52.3° |
| C29 | C26 | O06 | H66 | 180.0° | 64.9° |
| C41 | C37 | C27 | H21 | 180.0° | 179.9° |
| C41 | C37 | C27 | C25 | 175.2° | 175.5° |
| C41 | C37 | C27 | O04 | 58.1° | 54.6° |
| C41 | C37 | C27 | H11 | 59.3° | 64.8° |
| C37 | C41 | C45 | H34 | 21.1° | 8.2° |
| C37 | C27 | C25 | O04 | 126.2° | 119.3° |
| C37 | C27 | C25 | H11 | 116.2° | 119.1° |
| C37 | C27 | O04 | H11 | 116.4° | 119.0° |
| C37 | C27 | C25 | C20 | 54.0° | 144.5° |
| C37 | C27 | O04 | C30 | 136.6° | 41.3° |
| C37 | C27 | C25 | H8 | 174.7° | 24.1° |
| C37 | C27 | C25 | H9 | 66.8° | 93.4° |
| C27 | C37 | C41 | H29 | 1.1° | 3.2° |
| O05 | C35 | C34 | H19 | 122.3° | 119.9° |
| O05 | C35 | C34 | O11 | 174.4° | 177.6° |
| C35 | O05 | C30 | O04 | 166.9° | 178.9° |
| C35 | O05 | C30 | C32 | 68.7° | 61.1° |
| O05 | C35 | C34 | C33 | 56.3° | 57.6° |
| C35 | O05 | C30 | H14 | 47.8° | 58.9° |
| O05 | C35 | C34 | H18 | 64.2° | 62.3° |
| O05 | C35 | C39 | H24 | 180.0° | 59.9° |
| O05 | C35 | C39 | H25 | 60.0° | 180.0° |
| O05 | C35 | C39 | H26 | 60.0° | 60.0° |
| C34 | C35 | O05 | C30 | 66.0° | 61.1° |
| C35 | C34 | O11 | C33 | 120.3° | 119.7° |
| C35 | C34 | O11 | H18 | 120.2° | 120.1° |
| C35 | C34 | C33 | H18 | 120.5° | 119.8° |
| C35 | C34 | C33 | C32 | 49.9° | 57.0° |
| C35 | C34 | C33 | N18 | 169.4° | 176.9° |
| C35 | C34 | C33 | H17 | 70.3° | 63.0° |
| C34 | C35 | C39 | H24 | 60.3° | 179.9° |
| C34 | C35 | C39 | H25 | 59.7° | 60.0° |
| C34 | C35 | C39 | H26 | 179.7° | 59.9° |
| C35 | C34 | O11 | H70 | 180.0° | 60.3° |
| C25 | C27 | O04 | H11 | 116.6° | 121.7° |
| C27 | C25 | C20 | H8 | 120.7° | 120.4° |
| C27 | C25 | C20 | H9 | 120.7° | 121.8° |
| C27 | C25 | C20 | O01 | 75.3° | 133.2° |
| C25 | C27 | O04 | C30 | 96.5° | 77.9° |
| C27 | C25 | C20 | C21 | 163.0° | 107.6° |
| C27 | C25 | C20 | H1 | 43.1° | 13.4° |
| C27 | C25 | H8 | H9 | 117.8° | 118.6° |
| C25 | C27 | C37 | H21 | 4.8° | 4.4° |
| C27 | O04 | C30 | O05 | 84.8° | 63.7° |
| O04 | C27 | C25 | C20 | 72.2° | 25.2° |
| C27 | O04 | C30 | C32 | 153.4° | 176.3° |
| O04 | C27 | C25 | H8 | 48.5° | 95.2° |
| O04 | C27 | C25 | H9 | 167.1° | 147.2° |
| C27 | O04 | C30 | H14 | 34.4° | 56.3° |
| O04 | C27 | C37 | H21 | 121.9° | 125.2° |
| C24 | C26 | O06 | H10 | 120.0° | 120.9° |
| C26 | C24 | C19 | O01 | 17.1° | 125.4° |
| C26 | C24 | C19 | H6 | 120.5° | 120.4° |
| C26 | C24 | C19 | H7 | 120.6° | 120.3° |
| C26 | C24 | C19 | O02 | 69.4° | 4.9° |
| C26 | C24 | C19 | C23 | 154.6° | 115.3° |
| C26 | C24 | H6 | H7 | 118.4° | 119.6° |
| C24 | C26 | C29 | H12 | 70.1° | 84.7° |
| C24 | C26 | C29 | H13 | 49.7° | 35.3° |
| C24 | C26 | O06 | H66 | 62.2° | 55.0° |
| O06 | C26 | C24 | C19 | 89.5° | 72.6° |
| O06 | C26 | C24 | H6 | 150.0° | 47.8° |
| O06 | C26 | C24 | H7 | 31.1° | 167.1° |
| O06 | C26 | C29 | H12 | 172.4° | 35.2° |
| O06 | C26 | C29 | H13 | 67.9° | 155.3° |
| O05 | C30 | O04 | C32 | 121.8° | 120.0° |
| O05 | C30 | O04 | H14 | 119.3° | 120.0° |
| O05 | C30 | C32 | H14 | 117.8° | 120.0° |
| O05 | C30 | C32 | C33 | 61.5° | 57.6° |
| O05 | C30 | C32 | O10 | 54.5° | 62.3° |
| O05 | C30 | C32 | H16 | 177.7° | 177.5° |
| C30 | O05 | C35 | H19 | 55.2° | 58.9° |
| C25 | C20 | O01 | C19 | 160.8° | 178.8° |
| C25 | C20 | O01 | C21 | 122.5° | 119.2° |
| C25 | C20 | O01 | H1 | 118.0° | 120.8° |
| C25 | C20 | C21 | H1 | 120.0° | 121.9° |
| C25 | C20 | C21 | C28 | 56.3° | 67.0° |
| C25 | C20 | C21 | C22 | 176.0° | 173.6° |
| C25 | C20 | C21 | H2 | 65.0° | 53.2° |
| C20 | C25 | H8 | H9 | 117.8° | 119.0° |
| C20 | C25 | C27 | H11 | 170.1° | 96.4° |
| O11 | C34 | C33 | H18 | 120.6° | 120.2° |
| O11 | C34 | C33 | C32 | 168.8° | 177.0° |
| O11 | C34 | C33 | N18 | 71.7° | 63.1° |
| O11 | C34 | C33 | H17 | 48.6° | 57.0° |
| O11 | C34 | C35 | H19 | 52.1° | 57.6° |
| O01 | C19 | C24 | O02 | 86.5° | 120.5° |
| O01 | C19 | C24 | C23 | 171.6° | 119.3° |
| O01 | C19 | O02 | C23 | 123.4° | 120.0° |
| C19 | O01 | C20 | C21 | 38.3° | 59.7° |
| O01 | C19 | C23 | C22 | 1.0° | 56.9° |
| C19 | O01 | C20 | H1 | 81.2° | 60.4° |
| O01 | C19 | C23 | H4 | 119.7° | 63.2° |
| O01 | C19 | C23 | H5 | 121.7° | 176.6° |
| O01 | C19 | C24 | H6 | 103.5° | 114.2° |
| O01 | C19 | C24 | H7 | 137.6° | 5.1° |
| O01 | C19 | O02 | H64 | 180.0° | 60.1° |
| C20 | O01 | C19 | C24 | 163.8° | 179.6° |
| C20 | O01 | C19 | O02 | 76.6° | 59.7° |
| C20 | O01 | C19 | C23 | 7.4° | 60.4° |
| O01 | C20 | C21 | H1 | 120.0° | 119.9° |
| O01 | C20 | C21 | C28 | 176.2° | 174.8° |
| O01 | C20 | C21 | C22 | 64.0° | 55.4° |
| O01 | C20 | C21 | H2 | 55.0° | 65.0° |
| O01 | C20 | C25 | H8 | 164.0° | 12.8° |
| O01 | C20 | C25 | H9 | 45.4° | 105.0° |
| C24 | C19 | O02 | C23 | 117.7° | 120.0° |
| C24 | C19 | C23 | C22 | 170.3° | 176.0° |
| C24 | C19 | C23 | H4 | 69.0° | 55.9° |
| C24 | C19 | C23 | H5 | 49.5° | 64.2° |
| C19 | C24 | H6 | H7 | 118.4° | 119.4° |
| C19 | C24 | C26 | H10 | 32.0° | 48.3° |
| C24 | C19 | O02 | H64 | 61.1° | 60.0° |
| O04 | C30 | C32 | H14 | 119.9° | 120.0° |
| O04 | C30 | C32 | C33 | 176.2° | 177.6° |
| O04 | C30 | C32 | O10 | 67.9° | 57.7° |
| C30 | O04 | C27 | H11 | 20.2° | 160.4° |
| O04 | C30 | C32 | H16 | 55.3° | 62.5° |
| C30 | C32 | C33 | C34 | 52.0° | 57.0° |
| C30 | C32 | C33 | O10 | 116.7° | 119.9° |
| C30 | C32 | C33 | H16 | 120.8° | 119.9° |
| C30 | C32 | C33 | N18 | 169.6° | 176.9° |
| C30 | C32 | O10 | H16 | 121.8° | 120.2° |
| C30 | C32 | C33 | H17 | 68.3° | 63.0° |
| C30 | C32 | O10 | H69 | 180.0° | 60.0° |
| C34 | C33 | C32 | N18 | 117.5° | 119.9° |
| C34 | C33 | C32 | H17 | 120.3° | 120.0° |
| C34 | C33 | N18 | H17 | 119.8° | 120.2° |
| C34 | C33 | C32 | O10 | 64.7° | 62.9° |
| C34 | C33 | C32 | H16 | 172.8° | 176.9° |
| C33 | C34 | C35 | H19 | 66.0° | 62.4° |
| C34 | C33 | N18 | H61 | 180.0° | 179.6° |
| C34 | C33 | N18 | H62 | 60.0° | 55.6° |
| C33 | C34 | O11 | H70 | 59.8° | 180.0° |
| O02 | C19 | C23 | C22 | 83.7° | 63.4° |
| O02 | C19 | C23 | H4 | 155.6° | 176.5° |
| O02 | C19 | C23 | H5 | 37.1° | 56.3° |
| O02 | C19 | C24 | H6 | 170.0° | 125.3° |
| O02 | C19 | C24 | H7 | 51.1° | 115.4° |
| C19 | C23 | C22 | C21 | 27.0° | 56.5° |
| C19 | C23 | C22 | H4 | 120.7° | 119.9° |
| C19 | C23 | C22 | H5 | 120.7° | 119.6° |
| C19 | C23 | C22 | O03 | 147.9° | 176.2° |
| C19 | C23 | C22 | H3 | 93.2° | 63.7° |
| C19 | C23 | H4 | H5 | 117.7° | 119.8° |
| C23 | C19 | C24 | H6 | 84.9° | 5.1° |
| C23 | C19 | C24 | H7 | 34.0° | 124.4° |
| C23 | C19 | O02 | H64 | 56.6° | 179.9° |
| C20 | C21 | C28 | C22 | 120.6° | 119.9° |
| C20 | C21 | C28 | H2 | 121.4° | 120.2° |
| C20 | C21 | C22 | H2 | 118.8° | 120.3° |
| C20 | C21 | C22 | C23 | 58.3° | 55.9° |
| C20 | C21 | C28 | O08 | 137.1° | 0.0° |
| C20 | C21 | C28 | O07 | 43.9° | 180.0° |
| C20 | C21 | C22 | O03 | 179.3° | 175.7° |
| C20 | C21 | C22 | H3 | 61.9° | 64.5° |
| C21 | C20 | C25 | H8 | 42.2° | 132.0° |
| C21 | C20 | C25 | H9 | 76.3° | 14.2° |
| C28 | C21 | C22 | H2 | 117.6° | 119.8° |
| C28 | C21 | C22 | C23 | 178.1° | 175.8° |
| C21 | C28 | O08 | O07 | 179.0° | 180.0° |
| C28 | C21 | C22 | O03 | 57.1° | 64.3° |
| C28 | C21 | C20 | H1 | 63.7° | 54.9° |
| C28 | C21 | C22 | H3 | 61.8° | 55.4° |
| C21 | C28 | O07 | H67 | 179.0° | 180.0° |
| C21 | C22 | C23 | O03 | 120.8° | 119.7° |
| C21 | C22 | C23 | H3 | 120.2° | 120.2° |
| C22 | C21 | C28 | O08 | 102.4° | 119.9° |
| C22 | C21 | C28 | O07 | 76.6° | 60.1° |
| C21 | C22 | O03 | H3 | 118.1° | 119.7° |
| C22 | C21 | C20 | H1 | 56.0° | 64.5° |
| C21 | C22 | C23 | H4 | 93.7° | 63.5° |
| C21 | C22 | C23 | H5 | 147.8° | 176.1° |
| C21 | C22 | O03 | H65 | 180.0° | 180.0° |
| C32 | C33 | N18 | H17 | 121.5° | 120.2° |
| C33 | C32 | O10 | H16 | 121.0° | 120.2° |
| C33 | C32 | C30 | H14 | 56.3° | 62.4° |
| C32 | C33 | C34 | H18 | 70.6° | 62.9° |
| C32 | C33 | N18 | H61 | 61.3° | 60.0° |
| C32 | C33 | N18 | H62 | 58.7° | 64.0° |
| C33 | C32 | O10 | H69 | 62.9° | 179.7° |
| N18 | C33 | C32 | O10 | 52.8° | 57.0° |
| N18 | C33 | C32 | H16 | 69.6° | 63.2° |
| N18 | C33 | C34 | H18 | 48.9° | 57.0° |
| C33 | N18 | H61 | H62 | 120.0° | 123.9° |
| O10 | C32 | C30 | H14 | 172.3° | 177.7° |
| O10 | C32 | C33 | H17 | 175.0° | 177.1° |
| C23 | C22 | O03 | H3 | 118.1° | 120.2° |
| C23 | C22 | C21 | H2 | 60.5° | 64.5° |
| C22 | C23 | H4 | H5 | 117.7° | 120.3° |
| C23 | C22 | O03 | H65 | 56.2° | 59.9° |
| O08 | C28 | C21 | H2 | 15.6° | 120.3° |
| O08 | C28 | O07 | H67 | 0.0° | 0.0° |
| O07 | C28 | C21 | H2 | 165.4° | 59.8° |
| O03 | C22 | C21 | H2 | 60.5° | 55.4° |
| O03 | C22 | C23 | H4 | 27.1° | 56.3° |
| O03 | C22 | C23 | H5 | 91.4° | 64.2° |
| H1 | C20 | C21 | H2 | 175.0° | 175.1° |
| H1 | C20 | C25 | H8 | 77.6° | 107.0° |
| H1 | C20 | C25 | H9 | 163.8° | 135.2° |
| H2 | C21 | C22 | H3 | 179.3° | 175.2° |
| H3 | C22 | C23 | H4 | 146.1° | 176.3° |
| H3 | C22 | C23 | H5 | 27.5° | 55.8° |
| H3 | C22 | O03 | H65 | 61.9° | 60.3° |
| H6 | C24 | C26 | H10 | 88.5° | 168.7° |
| H7 | C24 | C26 | H10 | 152.6° | 71.9° |
| H8 | C25 | C27 | H11 | 69.2° | 143.3° |
| H9 | C25 | C27 | H11 | 49.4° | 25.7° |
| H10 | C26 | C29 | H12 | 48.9° | 155.2° |
| H10 | C26 | C29 | H13 | 168.6° | 84.8° |
| H10 | C26 | O06 | H66 | 57.8° | 175.9° |
| H11 | C27 | C37 | H21 | 120.8° | 115.3° |
| H12 | C29 | C31 | H15 | 67.1° | 171.8° |
| H13 | C29 | C31 | H15 | 173.2° | 67.6° |
| H14 | C30 | C32 | H16 | 64.5° | 57.5° |
| H15 | C31 | C36 | H20 | 66.5° | 47.9° |
| H15 | C31 | O09 | H68 | 58.9° | 53.4° |
| H16 | C32 | C33 | H17 | 52.5° | 56.9° |
| H16 | C32 | O10 | H69 | 58.2° | 60.1° |
| H17 | C33 | C34 | H18 | 169.3° | 177.2° |
| H17 | C33 | N18 | H61 | 60.2° | 60.2° |
| H17 | C33 | N18 | H62 | 179.8° | 175.8° |
| H18 | C34 | C35 | H19 | 173.5° | 177.8° |
| H18 | C34 | O11 | H70 | 59.7° | 59.9° |
| H19 | C35 | C39 | H24 | 58.3° | 60.0° |
| H19 | C35 | C39 | H25 | 178.4° | 60.1° |
| H19 | C35 | C39 | H26 | 61.6° | 180.0° |
| H20 | C36 | C38 | H22 | 170.7° | 89.7° |
| H20 | C36 | C38 | H23 | 69.5° | 150.5° |
| H20 | C36 | O12 | H71 | 59.8° | 60.0° |
| H21 | C37 | C41 | H29 | 178.9° | 177.0° |
| H22 | C38 | C40 | H27 | 171.4° | 170.7° |
| H22 | C38 | C40 | H28 | 69.3° | 69.4° |
| H23 | C38 | C40 | H27 | 51.5° | 50.6° |
| H23 | C38 | C40 | H28 | 170.9° | 170.4° |
| H24 | C39 | H25 | H26 | 120.0° | 119.9° |
| H27 | C40 | C42 | H30 | 70.5° | 173.6° |
| H28 | C40 | C42 | H30 | 170.2° | 66.4° |
| H29 | C41 | C45 | H34 | 158.9° | 174.5° |
| H30 | C42 | C43 | H31 | 35.0° | 129.4° |
| H30 | C42 | C43 | H32 | 154.4° | 110.8° |
| H30 | C42 | O13 | H72 | 60.5° | 60.3° |
| H31 | C43 | C44 | H33 | 66.1° | 129.1° |
| H32 | C43 | C44 | H33 | 174.5° | 111.0° |
| H33 | C44 | C46 | H35 | 68.2° | 168.5° |
| H33 | C44 | C46 | H36 | 171.9° | 70.9° |
| H33 | C44 | O14 | H73 | 68.1° | 60.7° |
| H34 | C45 | C51 | H41 | 179.3° | 171.0° |
| H37 | C47 | C48 | H38 | 76.0° | 144.8° |
| H37 | C47 | C49 | H39 | 79.5° | 66.4° |
| H37 | C47 | C53 | H42 | 62.0° | 57.0° |
| H37 | C47 | C53 | H43 | 58.1° | 63.1° |
| H37 | C47 | C53 | H44 | 178.0° | 177.0° |
| H38 | C48 | C50 | H40 | 164.7° | 34.7° |
| H38 | C48 | O16 | H74 | 61.6° | 61.8° |
| H39 | C49 | C54 | H45 | 58.2° | 62.2° |
| H39 | C49 | C54 | H46 | 178.2° | 57.8° |
| H39 | C49 | C54 | H47 | 61.8° | 177.8° |
| H40 | C50 | C55 | H48 | 60.5° | 179.4° |
| H40 | C50 | C55 | H49 | 59.5° | 60.6° |
| H40 | C50 | C55 | H50 | 179.5° | 59.4° |
| H40 | C50 | C56 | H51 | 154.0° | 110.6° |
| H41 | C51 | C57 | H52 | 178.7° | 167.3° |
| H42 | C53 | H43 | H44 | 120.0° | 120.0° |
| H45 | C54 | H46 | H47 | 120.0° | 120.1° |
| H48 | C55 | H49 | H50 | 120.0° | 120.0° |
| H51 | C56 | C58 | H53 | 178.1° | 179.6° |
| H52 | C57 | C59 | H54 | 178.9° | 169.5° |
| H53 | C58 | C60 | H55 | 152.7° | 162.7° |
| H54 | C59 | C61 | H56 | 173.9° | 154.3° |
| H55 | C60 | C62 | H57 | 177.9° | 179.8° |
| H56 | C61 | C63 | H58 | 179.1° | 168.5° |
| H57 | C62 | C64 | H59 | 169.6° | 154.1° |
| H58 | C63 | C65 | H60 | 172.8° | 160.2° |
| H59 | C64 | C65 | H60 | 178.9° | 176.0° |
