WDP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O78 | C77 | sing | 1.43Å | 1.44Å | |
| O83 | C84 | sing | 1.43Å | 1.40Å | |
| O83 | C82 | sing | 1.43Å | 1.46Å | |
| C75 | C77 | sing | 1.53Å | 1.54Å | |
| C75 | C76 | sing | 1.53Å | 1.49Å | |
| C75 | O74 | sing | 1.43Å | 1.47Å | |
| C77 | C79 | sing | 1.53Å | 1.49Å | |
| C73 | C82 | sing | 1.53Å | 1.53Å | |
| C73 | O74 | sing | 1.43Å | 1.49Å | |
| C73 | O72 | sing | 1.43Å | 1.38Å | |
| C82 | C79 | sing | 1.53Å | 1.46Å | |
| C79 | O80 | sing | 1.43Å | 1.44Å | |
| O80 | C81 | sing | 1.43Å | 1.41Å | |
| O72 | C71 | sing | 1.43Å | 1.46Å | |
| C70 | C69 | sing | 1.53Å | 1.50Å | |
| C71 | C69 | sing | 1.53Å | 1.56Å | |
| C69 | C49 | sing | 1.52Å | 1.54Å | |
| C48 | C47 | sing | 1.53Å | 1.53Å | |
| C49 | C47 | sing | 1.54Å | 1.53Å | |
| C49 | O50 | sing | 1.45Å | 1.43Å | |
| C47 | C39 | sing | 1.52Å | 1.57Å | |
| O50 | C51 | sing | 1.34Å | 1.48Å | |
| C43 | C44 | sing | 1.53Å | 1.58Å | |
| C43 | C41 | sing | 1.51Å | 1.60Å | |
| C46 | C44 | sing | 1.53Å | 1.54Å | |
| C54 | C53 | sing | 1.53Å | 1.51Å | |
| C44 | C45 | sing | 1.53Å | 1.55Å | |
| C51 | O52 | doub | 1.20Å | 1.19Å | |
| C51 | C53 | sing | 1.50Å | 1.55Å | |
| C39 | O40 | sing | 1.45Å | 1.44Å | |
| C39 | C37 | sing | 1.52Å | 1.54Å | |
| C41 | O40 | sing | 1.34Å | 1.48Å | |
| C41 | O42 | doub | 1.21Å | 1.18Å | |
| C53 | C55 | sing | 1.53Å | 1.52Å | |
| C38 | C37 | sing | 1.54Å | 1.52Å | |
| C37 | C35 | sing | 1.51Å | 1.59Å | |
| C55 | O56 | sing | 1.43Å | 1.41Å | |
| C55 | C67 | sing | 1.53Å | 1.56Å | |
| C24 | N25 | sing | 1.46Å | 1.50Å | |
| C24 | C21 | sing | 1.53Å | 1.57Å | |
| O28 | S26 | doub | 1.42Å | 1.45Å | |
| O56 | C57 | sing | 1.43Å | 1.43Å | |
| N25 | S26 | sing | 1.66Å | 1.72Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C35 | O36 | doub | 1.21Å | 1.18Å | |
| C35 | C15 | sing | 1.51Å | 1.57Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C67 | C11 | sing | 1.53Å | 1.53Å | |
| C58 | C57 | sing | 1.51Å | 1.58Å | |
| C58 | C59 | sing | 1.54Å | 1.59Å | |
| N20 | C21 | sing | 1.47Å | 1.51Å | |
| N20 | C18 | sing | 1.35Å | 1.51Å | |
| C57 | O66 | sing | 1.44Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| S26 | O27 | doub | 1.42Å | 1.46Å | |
| S26 | C29 | sing | 1.76Å | 1.82Å | |
| C60 | C59 | sing | 1.53Å | 1.59Å | |
| C59 | N61 | sing | 1.40Å | 1.35Å | |
| C18 | O19 | doub | 1.22Å | 1.17Å | |
| C18 | O17 | sing | 1.35Å | 1.47Å | |
| O66 | C64 | sing | 1.44Å | 1.44Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | C14 | sing | 1.52Å | 1.54Å | |
| C11 | O10 | sing | 1.43Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C15 | O17 | sing | 1.45Å | 1.41Å | |
| C15 | C14 | sing | 1.52Å | 1.62Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| O10 | C09 | sing | 1.43Å | 1.39Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| N61 | C63 | sing | 1.48Å | 1.36Å | |
| N61 | C62 | sing | 1.47Å | 1.33Å | |
| C64 | C63 | sing | 1.51Å | 1.51Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| O86 | C85 | sing | 1.43Å | 1.44Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C85 | sing | 1.53Å | 1.53Å | |
| C09 | O08 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C85 | C04 | sing | 1.52Å | 1.53Å | |
| O08 | C06 | sing | 1.43Å | 1.45Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.52Å | 1.52Å | |
| C04 | N03 | doub | 1.28Å | 1.22Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| N03 | O02 | sing | 1.42Å | 1.38Å | |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.10Å | |
| C12 | H20 | sing | 1.10Å | 1.10Å | |
| C14 | H21 | sing | 1.11Å | 1.10Å | |
| C14 | H22 | sing | 1.10Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.11Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H48 | sing | 1.09Å | 1.10Å | |
| C48 | H49 | sing | 1.09Å | 1.10Å | |
| C48 | H50 | sing | 1.09Å | 1.10Å | |
| C48 | H51 | sing | 1.09Å | 1.10Å | |
| C49 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | H53 | sing | 1.10Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H55 | sing | 1.09Å | 1.10Å | |
| C54 | H56 | sing | 1.09Å | 1.10Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C57 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | H60 | sing | 1.09Å | 1.10Å | |
| C59 | H61 | sing | 1.09Å | 1.10Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| C60 | H64 | sing | 1.09Å | 1.10Å | |
| C62 | H65 | sing | 1.09Å | 1.10Å | |
| C62 | H66 | sing | 1.09Å | 1.10Å | |
| C62 | H67 | sing | 1.09Å | 1.10Å | |
| C63 | H68 | sing | 1.09Å | 1.10Å | |
| C63 | H69 | sing | 1.09Å | 1.10Å | |
| C64 | H70 | sing | 1.09Å | 1.10Å | |
| C65 | H71 | sing | 1.09Å | 1.10Å | |
| C65 | H72 | sing | 1.09Å | 1.10Å | |
| C65 | H73 | sing | 1.09Å | 1.10Å | |
| C67 | H74 | sing | 1.09Å | 1.10Å | |
| C68 | H75 | sing | 1.09Å | 1.10Å | |
| C68 | H76 | sing | 1.09Å | 1.10Å | |
| C68 | H77 | sing | 1.09Å | 1.10Å | |
| C69 | H78 | sing | 1.09Å | 1.10Å | |
| C70 | H79 | sing | 1.09Å | 1.10Å | |
| C70 | H80 | sing | 1.09Å | 1.10Å | |
| C70 | H81 | sing | 1.09Å | 1.10Å | |
| C71 | H82 | sing | 1.09Å | 1.10Å | |
| C71 | H83 | sing | 1.09Å | 1.10Å | |
| C73 | H84 | sing | 1.09Å | 1.10Å | |
| C75 | H85 | sing | 1.09Å | 1.10Å | |
| C76 | H86 | sing | 1.09Å | 1.10Å | |
| C76 | H87 | sing | 1.09Å | 1.10Å | |
| C76 | H88 | sing | 1.09Å | 1.10Å | |
| C77 | H89 | sing | 1.09Å | 1.10Å | |
| C79 | H90 | sing | 1.09Å | 1.10Å | |
| C81 | H91 | sing | 1.09Å | 1.10Å | |
| C81 | H92 | sing | 1.09Å | 1.10Å | |
| C81 | H93 | sing | 1.09Å | 1.10Å | |
| C82 | H94 | sing | 1.09Å | 1.10Å | |
| C84 | H95 | sing | 1.09Å | 1.10Å | |
| C84 | H96 | sing | 1.09Å | 1.10Å | |
| C84 | H97 | sing | 1.09Å | 1.10Å | |
| C85 | H98 | sing | 1.09Å | 1.10Å | |
| N20 | H99 | sing | 0.97Å | 1.00Å | |
| N25 | H100 | sing | 0.97Å | 1.00Å | |
| O78 | H102 | sing | 0.97Å | 0.95Å | |
| O86 | H103 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O78 | C77 | C75 | 109.4° | 109.5° |
| O78 | C77 | C79 | 109.9° | 109.6° |
| O78 | C77 | H89 | 110.0° | 109.6° |
| C77 | O78 | H102 | 109.5° | 114.0° |
| C84 | O83 | C82 | 114.4° | 114.0° |
| O83 | C84 | H95 | 109.5° | 109.5° |
| O83 | C84 | H96 | 109.4° | 109.5° |
| O83 | C84 | H97 | 109.5° | 109.4° |
| O83 | C82 | C73 | 109.2° | 109.5° |
| O83 | C82 | C79 | 110.0° | 109.5° |
| O83 | C82 | H94 | 109.4° | 109.6° |
| C77 | C75 | C76 | 109.6° | 109.5° |
| C77 | C75 | O74 | 111.3° | 109.4° |
| C75 | C77 | C79 | 109.7° | 109.1° |
| C77 | C75 | H85 | 108.2° | 109.5° |
| C75 | C77 | H89 | 108.6° | 109.5° |
| C76 | C75 | O74 | 109.8° | 109.4° |
| C76 | C75 | H85 | 108.7° | 109.5° |
| C75 | C76 | H86 | 109.5° | 109.5° |
| C75 | C76 | H87 | 109.4° | 109.5° |
| C75 | C76 | H88 | 109.5° | 109.4° |
| C75 | O74 | C73 | 110.8° | 114.1° |
| O74 | C75 | H85 | 109.1° | 109.5° |
| C77 | C79 | C82 | 112.0° | 109.1° |
| C77 | C79 | O80 | 111.9° | 109.5° |
| C79 | C77 | H89 | 109.2° | 109.5° |
| C77 | C79 | H90 | 107.7° | 109.5° |
| C82 | C73 | O74 | 110.5° | 109.4° |
| C82 | C73 | O72 | 110.6° | 109.5° |
| C73 | C82 | C79 | 110.6° | 109.2° |
| C82 | C73 | H84 | 107.3° | 109.5° |
| C73 | C82 | H94 | 108.3° | 109.5° |
| O74 | C73 | O72 | 111.1° | 109.5° |
| O74 | C73 | H84 | 107.8° | 109.4° |
| C73 | O72 | C71 | 116.3° | 114.0° |
| O72 | C73 | H84 | 109.3° | 109.5° |
| C82 | C79 | O80 | 108.7° | 109.5° |
| C82 | C79 | H90 | 108.1° | 109.6° |
| C79 | C82 | H94 | 109.3° | 109.5° |
| C79 | O80 | C81 | 112.6° | 114.0° |
| O80 | C79 | H90 | 108.4° | 109.5° |
| O80 | C81 | H91 | 109.5° | 109.5° |
| O80 | C81 | H92 | 109.5° | 109.5° |
| O80 | C81 | H93 | 109.4° | 109.5° |
| O72 | C71 | C69 | 110.6° | 109.5° |
| O72 | C71 | H82 | 109.2° | 109.5° |
| O72 | C71 | H83 | 109.2° | 109.5° |
| C70 | C69 | C71 | 109.9° | 109.5° |
| C70 | C69 | C49 | 111.7° | 109.5° |
| C70 | C69 | H78 | 110.2° | 109.5° |
| C69 | C70 | H79 | 109.5° | 109.5° |
| C69 | C70 | H80 | 109.5° | 109.5° |
| C69 | C70 | H81 | 109.5° | 109.4° |
| C71 | C69 | C49 | 105.8° | 109.5° |
| C71 | C69 | H78 | 109.5° | 109.4° |
| C69 | C71 | H82 | 109.2° | 109.4° |
| C69 | C71 | H83 | 109.2° | 109.5° |
| C69 | C49 | C47 | 106.5° | 109.1° |
| C69 | C49 | O50 | 112.7° | 110.2° |
| C69 | C49 | H52 | 106.9° | 110.3° |
| C49 | C69 | H78 | 109.7° | 109.5° |
| C48 | C47 | C49 | 111.1° | 107.6° |
| C48 | C47 | C39 | 114.0° | 113.0° |
| C48 | C47 | H48 | 105.2° | 109.4° |
| C47 | C48 | H49 | 109.5° | 109.4° |
| C47 | C48 | H50 | 109.5° | 109.4° |
| C47 | C48 | H51 | 109.5° | 109.5° |
| C47 | C49 | O50 | 115.0° | 108.3° |
| C49 | C47 | C39 | 115.4° | 108.1° |
| C49 | C47 | H48 | 105.2° | 109.1° |
| C47 | C49 | H52 | 107.0° | 108.9° |
| C49 | O50 | C51 | 110.0° | 118.3° |
| O50 | C49 | H52 | 108.2° | 110.1° |
| C47 | C39 | O40 | 107.6° | 109.4° |
| C47 | C39 | C37 | 116.4° | 115.4° |
| C47 | C39 | H38 | 105.2° | 108.0° |
| C39 | C47 | H48 | 104.7° | 109.5° |
| O50 | C51 | O52 | 119.4° | 120.4° |
| O50 | C51 | C53 | 122.0° | 119.3° |
| C44 | C43 | C41 | 115.6° | 109.5° |
| C43 | C44 | C46 | 113.5° | 109.5° |
| C43 | C44 | C45 | 113.0° | 109.4° |
| C44 | C43 | H39 | 107.9° | 109.5° |
| C44 | C43 | H40 | 107.9° | 109.5° |
| C43 | C44 | H41 | 105.6° | 109.5° |
| C43 | C41 | O40 | 119.5° | 120.0° |
| C43 | C41 | O42 | 119.5° | 120.0° |
| C41 | C43 | H39 | 107.9° | 109.5° |
| C41 | C43 | H40 | 107.9° | 109.5° |
| C46 | C44 | C45 | 111.9° | 109.5° |
| C46 | C44 | H41 | 106.0° | 109.5° |
| C44 | C46 | H45 | 109.5° | 109.4° |
| C44 | C46 | H46 | 109.5° | 109.5° |
| C44 | C46 | H47 | 109.4° | 109.5° |
| C54 | C53 | C51 | 107.8° | 109.4° |
| C54 | C53 | C55 | 112.8° | 109.7° |
| C54 | C53 | H53 | 110.2° | 108.9° |
| C53 | C54 | H54 | 109.5° | 109.5° |
| C53 | C54 | H55 | 109.5° | 109.4° |
| C53 | C54 | H56 | 109.5° | 109.5° |
| C45 | C44 | H41 | 106.0° | 109.4° |
| C44 | C45 | H42 | 109.5° | 109.4° |
| C44 | C45 | H43 | 109.5° | 109.5° |
| C44 | C45 | H44 | 109.5° | 109.5° |
| O52 | C51 | C53 | 118.6° | 120.3° |
| C51 | C53 | C55 | 106.0° | 110.2° |
| C51 | C53 | H53 | 109.7° | 109.6° |
| O40 | C39 | C37 | 114.8° | 109.6° |
| C39 | O40 | C41 | 121.4° | 117.0° |
| O40 | C39 | H38 | 106.6° | 106.4° |
| C39 | C37 | C38 | 108.9° | 108.1° |
| C39 | C37 | C35 | 112.0° | 109.4° |
| C39 | C37 | H34 | 107.2° | 114.1° |
| C37 | C39 | H38 | 105.5° | 107.6° |
| O40 | C41 | O42 | 121.1° | 120.0° |
| C53 | C55 | O56 | 112.3° | 109.5° |
| C53 | C55 | C67 | 107.0° | 109.4° |
| C55 | C53 | H53 | 110.2° | 108.9° |
| C53 | C55 | H57 | 108.7° | 109.5° |
| C38 | C37 | C35 | 114.4° | 107.8° |
| C38 | C37 | H34 | 107.4° | 106.6° |
| C37 | C38 | H35 | 109.5° | 109.5° |
| C37 | C38 | H36 | 109.5° | 109.5° |
| C37 | C38 | H37 | 109.5° | 109.5° |
| C37 | C35 | O36 | 117.6° | 118.3° |
| C37 | C35 | C15 | 131.6° | 122.6° |
| C35 | C37 | H34 | 106.6° | 110.8° |
| O56 | C55 | C67 | 110.4° | 109.4° |
| C55 | O56 | C57 | 114.4° | 114.0° |
| O56 | C55 | H57 | 110.1° | 109.4° |
| C55 | C67 | C68 | 108.8° | 109.1° |
| C55 | C67 | C11 | 110.3° | 110.3° |
| C67 | C55 | H57 | 108.2° | 109.6° |
| C55 | C67 | H74 | 108.2° | 108.4° |
| N25 | C24 | C21 | 110.2° | 109.5° |
| C24 | N25 | S26 | 118.7° | 120.0° |
| N25 | C24 | H7 | 109.3° | 109.4° |
| N25 | C24 | H8 | 109.3° | 109.5° |
| C24 | N25 | H100 | 107.1° | 120.0° |
| C24 | C21 | C23 | 109.6° | 109.5° |
| C24 | C21 | N20 | 108.0° | 109.5° |
| C24 | C21 | C22 | 110.2° | 109.4° |
| C21 | C24 | H7 | 109.3° | 109.5° |
| C21 | C24 | H8 | 109.3° | 109.5° |
| O28 | S26 | N25 | 111.8° | 106.4° |
| O28 | S26 | O27 | 101.9° | 123.1° |
| O28 | S26 | C29 | 111.9° | 106.4° |
| O56 | C57 | C58 | 110.7° | 108.7° |
| O56 | C57 | O66 | 110.7° | 108.8° |
| O56 | C57 | H58 | 106.0° | 108.8° |
| N25 | S26 | O27 | 111.0° | 106.4° |
| N25 | S26 | C29 | 109.6° | 107.2° |
| S26 | N25 | H100 | 107.1° | 120.0° |
| C23 | C21 | N20 | 109.1° | 109.5° |
| C23 | C21 | C22 | 109.2° | 109.5° |
| C21 | C23 | H26 | 109.5° | 109.5° |
| C21 | C23 | H27 | 109.5° | 109.5° |
| C21 | C23 | H28 | 109.5° | 109.5° |
| O36 | C35 | C15 | 110.8° | 119.1° |
| C35 | C15 | C16 | 122.7° | 109.3° |
| C35 | C15 | O17 | 102.0° | 107.2° |
| C35 | C15 | C14 | 108.8° | 110.9° |
| C68 | C67 | C11 | 112.4° | 109.4° |
| C68 | C67 | H74 | 108.5° | 109.1° |
| C67 | C68 | H75 | 109.5° | 109.4° |
| C67 | C68 | H76 | 109.4° | 109.5° |
| C67 | C68 | H77 | 109.4° | 109.5° |
| C67 | C11 | C12 | 108.2° | 109.9° |
| C67 | C11 | O10 | 111.3° | 109.1° |
| C67 | C11 | H19 | 108.5° | 110.2° |
| C11 | C67 | H74 | 108.5° | 110.6° |
| C57 | C58 | C59 | 119.4° | 109.2° |
| C58 | C57 | O66 | 118.1° | 112.8° |
| C58 | C57 | H58 | 104.4° | 108.8° |
| C57 | C58 | H59 | 106.9° | 109.5° |
| C57 | C58 | H60 | 107.0° | 109.5° |
| C58 | C59 | C60 | 110.3° | 109.1° |
| C58 | C59 | N61 | 114.0° | 111.4° |
| C59 | C58 | H59 | 106.9° | 109.5° |
| C59 | C58 | H60 | 106.9° | 109.6° |
| C58 | C59 | H61 | 105.0° | 109.1° |
| C21 | N20 | C18 | 121.9° | 120.0° |
| N20 | C21 | C22 | 110.7° | 109.4° |
| C21 | N20 | H99 | 119.0° | 119.9° |
| N20 | C18 | O19 | 118.0° | 120.0° |
| N20 | C18 | O17 | 120.7° | 120.0° |
| C18 | N20 | H99 | 119.1° | 120.0° |
| C57 | O66 | C64 | 117.4° | 116.2° |
| O66 | C57 | H58 | 105.9° | 108.8° |
| C21 | C22 | H4 | 109.5° | 109.5° |
| C21 | C22 | H5 | 109.5° | 109.5° |
| C21 | C22 | H6 | 109.5° | 109.4° |
| O27 | S26 | C29 | 110.5° | 106.4° |
| S26 | C29 | C30 | 119.9° | 120.0° |
| S26 | C29 | C34 | 119.7° | 120.0° |
| C60 | C59 | N61 | 114.0° | 109.1° |
| C60 | C59 | H61 | 104.9° | 109.0° |
| C59 | C60 | H62 | 109.5° | 109.4° |
| C59 | C60 | H63 | 109.5° | 109.5° |
| C59 | C60 | H64 | 109.5° | 109.5° |
| C59 | N61 | C63 | 116.3° | 114.4° |
| C59 | N61 | C62 | 115.5° | 111.0° |
| N61 | C59 | H61 | 107.7° | 109.1° |
| O19 | C18 | O17 | 121.3° | 120.0° |
| C18 | O17 | C15 | 113.8° | 117.0° |
| O66 | C64 | C63 | 113.5° | 111.9° |
| O66 | C64 | C65 | 107.7° | 109.0° |
| O66 | C64 | H70 | 110.0° | 109.0° |
| C11 | C12 | C13 | 109.8° | 107.7° |
| C11 | C12 | C14 | 112.5° | 109.5° |
| C12 | C11 | O10 | 111.0° | 108.3° |
| C12 | C11 | H19 | 108.4° | 109.1° |
| C11 | C12 | H20 | 108.5° | 108.2° |
| C13 | C12 | C14 | 108.7° | 113.1° |
| C12 | C13 | H1 | 109.5° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C13 | C12 | H20 | 108.9° | 108.8° |
| C12 | C14 | C15 | 112.8° | 113.7° |
| C14 | C12 | H20 | 108.5° | 109.4° |
| C12 | C14 | H21 | 108.6° | 108.5° |
| C12 | C14 | H22 | 108.6° | 109.5° |
| C11 | O10 | C09 | 115.9° | 114.0° |
| O10 | C11 | H19 | 109.4° | 110.2° |
| C16 | C15 | O17 | 105.0° | 109.4° |
| C16 | C15 | C14 | 106.4° | 109.7° |
| C15 | C16 | H23 | 109.5° | 109.5° |
| C15 | C16 | H24 | 109.5° | 109.4° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| O17 | C15 | C14 | 111.8° | 110.3° |
| C15 | C14 | H21 | 108.7° | 109.0° |
| C15 | C14 | H22 | 108.7° | 109.4° |
| C30 | C29 | C34 | 120.4° | 120.0° |
| C29 | C30 | C31 | 119.6° | 120.0° |
| C29 | C30 | H29 | 120.2° | 120.0° |
| C29 | C34 | C33 | 119.8° | 120.0° |
| C29 | C34 | H33 | 120.1° | 120.0° |
| O10 | C09 | C85 | 107.8° | 109.5° |
| O10 | C09 | O08 | 109.1° | 109.7° |
| O10 | C09 | H18 | 110.2° | 109.5° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C31 | C30 | H29 | 120.2° | 120.0° |
| C30 | C31 | H30 | 120.0° | 120.0° |
| C63 | N61 | C62 | 111.3° | 111.0° |
| N61 | C63 | C64 | 113.3° | 108.4° |
| N61 | C63 | H68 | 108.5° | 109.7° |
| N61 | C63 | H69 | 108.5° | 109.8° |
| N61 | C62 | H65 | 109.5° | 109.4° |
| N61 | C62 | H66 | 109.5° | 109.5° |
| N61 | C62 | H67 | 109.4° | 109.5° |
| C63 | C64 | C65 | 107.9° | 109.0° |
| C64 | C63 | H68 | 108.5° | 109.6° |
| C64 | C63 | H69 | 108.5° | 109.6° |
| C63 | C64 | H70 | 108.9° | 108.9° |
| C65 | C64 | H70 | 108.7° | 109.0° |
| C64 | C65 | H71 | 109.5° | 109.5° |
| C64 | C65 | H72 | 109.5° | 109.5° |
| C64 | C65 | H73 | 109.5° | 109.5° |
| O86 | C85 | C09 | 108.6° | 109.8° |
| O86 | C85 | C04 | 108.5° | 110.0° |
| O86 | C85 | H98 | 109.2° | 109.8° |
| C85 | O86 | H103 | 109.5° | 114.1° |
| C34 | C33 | C32 | 120.0° | 120.0° |
| C34 | C33 | H32 | 120.0° | 120.0° |
| C33 | C34 | H33 | 120.1° | 120.0° |
| C85 | C09 | O08 | 111.5° | 109.5° |
| C09 | C85 | C04 | 114.2° | 108.1° |
| C85 | C09 | H18 | 108.4° | 109.5° |
| C09 | C85 | H98 | 108.1° | 109.8° |
| C09 | O08 | C06 | 113.7° | 114.8° |
| O08 | C09 | H18 | 109.8° | 109.1° |
| C31 | C32 | C33 | 120.0° | 120.0° |
| C32 | C31 | H30 | 119.9° | 120.0° |
| C31 | C32 | H31 | 120.0° | 120.0° |
| C85 | C04 | C05 | 111.8° | 117.5° |
| C85 | C04 | N03 | 121.6° | 121.2° |
| C04 | C85 | H98 | 108.1° | 109.3° |
| O08 | C06 | C05 | 114.4° | 109.2° |
| O08 | C06 | C07 | 108.3° | 109.5° |
| O08 | C06 | H14 | 109.0° | 109.5° |
| C33 | C32 | H31 | 120.0° | 120.0° |
| C32 | C33 | H32 | 120.0° | 120.0° |
| C05 | C04 | N03 | 122.9° | 121.2° |
| C04 | C05 | C06 | 115.7° | 108.1° |
| C04 | C05 | H12 | 107.9° | 109.7° |
| C04 | C05 | H13 | 107.9° | 109.7° |
| C04 | N03 | O02 | 120.3° | 120.0° |
| C05 | C06 | C07 | 108.9° | 109.5° |
| C06 | C05 | H12 | 107.9° | 109.8° |
| C06 | C05 | H13 | 107.9° | 109.8° |
| C05 | C06 | H14 | 108.0° | 109.5° |
| C07 | C06 | H14 | 108.1° | 109.6° |
| C06 | C07 | H15 | 109.5° | 109.5° |
| C06 | C07 | H16 | 109.5° | 109.4° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| N03 | O02 | C01 | 109.0° | 114.0° |
| O02 | C01 | H9 | 109.5° | 109.5° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| O02 | C01 | H11 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H1 | C13 | H3 | 109.5° | 109.4° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H4 | C22 | H5 | 109.4° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C05 | H13 | 109.5° | 109.7° |
| H15 | C07 | H16 | 109.4° | 109.4° |
| H15 | C07 | H17 | 109.4° | 109.5° |
| H16 | C07 | H17 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.5° | 106.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H23 | C16 | H25 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.4° | 109.5° |
| H26 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.4° |
| H35 | C38 | H36 | 109.5° | 109.5° |
| H35 | C38 | H37 | 109.5° | 109.5° |
| H36 | C38 | H37 | 109.5° | 109.4° |
| H39 | C43 | H40 | 109.5° | 109.5° |
| H42 | C45 | H43 | 109.5° | 109.5° |
| H42 | C45 | H44 | 109.5° | 109.5° |
| H43 | C45 | H44 | 109.5° | 109.5° |
| H45 | C46 | H46 | 109.5° | 109.5° |
| H45 | C46 | H47 | 109.5° | 109.5° |
| H46 | C46 | H47 | 109.5° | 109.5° |
| H49 | C48 | H50 | 109.5° | 109.5° |
| H49 | C48 | H51 | 109.5° | 109.5° |
| H50 | C48 | H51 | 109.5° | 109.5° |
| H54 | C54 | H55 | 109.5° | 109.5° |
| H54 | C54 | H56 | 109.4° | 109.5° |
| H55 | C54 | H56 | 109.5° | 109.4° |
| H59 | C58 | H60 | 109.4° | 109.5° |
| H62 | C60 | H63 | 109.5° | 109.5° |
| H62 | C60 | H64 | 109.5° | 109.5° |
| H63 | C60 | H64 | 109.4° | 109.5° |
| H65 | C62 | H66 | 109.5° | 109.5° |
| H65 | C62 | H67 | 109.5° | 109.4° |
| H66 | C62 | H67 | 109.4° | 109.5° |
| H68 | C63 | H69 | 109.4° | 109.7° |
| H71 | C65 | H72 | 109.5° | 109.5° |
| H71 | C65 | H73 | 109.5° | 109.4° |
| H72 | C65 | H73 | 109.5° | 109.4° |
| H75 | C68 | H76 | 109.5° | 109.4° |
| H75 | C68 | H77 | 109.5° | 109.5° |
| H76 | C68 | H77 | 109.5° | 109.5° |
| H79 | C70 | H80 | 109.5° | 109.5° |
| H79 | C70 | H81 | 109.4° | 109.5° |
| H80 | C70 | H81 | 109.5° | 109.5° |
| H82 | C71 | H83 | 109.5° | 109.5° |
| H86 | C76 | H87 | 109.5° | 109.5° |
| H86 | C76 | H88 | 109.4° | 109.4° |
| H87 | C76 | H88 | 109.5° | 109.5° |
| H91 | C81 | H92 | 109.5° | 109.4° |
| H91 | C81 | H93 | 109.5° | 109.5° |
| H92 | C81 | H93 | 109.5° | 109.4° |
| H95 | C84 | H96 | 109.5° | 109.5° |
| H95 | C84 | H97 | 109.5° | 109.5° |
| H96 | C84 | H97 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O78 | C77 | C75 | C79 | 120.6° | 119.9° |
| O78 | C77 | C75 | H89 | 120.1° | 120.2° |
| O78 | C77 | C75 | C76 | 114.2° | 62.5° |
| O78 | C77 | C75 | O74 | 124.1° | 177.5° |
| O78 | C77 | C79 | H89 | 120.7° | 120.2° |
| O78 | C77 | C79 | C82 | 65.4° | 176.9° |
| O78 | C77 | C79 | O80 | 56.9° | 57.0° |
| O78 | C77 | C75 | H85 | 4.2° | 57.5° |
| O78 | C77 | C79 | H90 | 175.9° | 63.1° |
| C84 | O83 | C82 | C73 | 116.6° | 90.0° |
| C84 | O83 | C82 | C79 | 121.9° | 150.3° |
| C84 | O83 | C82 | H94 | 1.8° | 30.2° |
| O83 | C84 | H95 | H96 | 120.0° | 120.0° |
| O83 | C84 | H95 | H97 | 120.0° | 119.9° |
| O83 | C84 | H96 | H97 | 120.0° | 119.9° |
| O83 | C82 | C79 | C77 | 62.8° | 176.9° |
| O83 | C82 | C73 | C79 | 121.2° | 119.9° |
| O83 | C82 | C73 | H94 | 119.1° | 120.3° |
| O83 | C82 | C73 | O74 | 119.0° | 177.5° |
| O83 | C82 | C73 | O72 | 117.5° | 62.5° |
| O83 | C82 | C79 | H94 | 120.1° | 120.2° |
| O83 | C82 | C79 | O80 | 61.3° | 57.0° |
| O83 | C82 | C73 | H84 | 1.6° | 57.6° |
| O83 | C82 | C79 | H90 | 178.7° | 63.2° |
| C82 | O83 | C84 | H95 | 180.0° | 180.0° |
| C82 | O83 | C84 | H96 | 60.0° | 60.0° |
| C82 | O83 | C84 | H97 | 60.0° | 60.0° |
| C77 | C75 | C76 | O74 | 122.5° | 119.9° |
| C77 | C75 | C76 | H85 | 118.1° | 120.1° |
| C77 | C75 | O74 | H85 | 119.3° | 120.0° |
| C75 | C77 | C79 | H89 | 118.9° | 119.9° |
| C77 | C75 | O74 | C73 | 58.4° | 61.2° |
| C75 | C77 | C79 | C82 | 54.9° | 57.0° |
| C75 | C77 | C79 | O80 | 177.2° | 62.9° |
| C77 | C75 | C76 | H86 | 180.0° | 59.9° |
| C77 | C75 | C76 | H87 | 60.0° | 180.0° |
| C77 | C75 | C76 | H88 | 60.0° | 60.0° |
| C75 | C77 | C79 | H90 | 63.8° | 177.0° |
| C75 | C77 | O78 | H102 | 180.0° | 60.0° |
| C76 | C75 | O74 | H85 | 119.1° | 120.0° |
| C76 | C75 | C77 | C79 | 125.1° | 177.5° |
| C76 | C75 | O74 | C73 | 179.9° | 178.9° |
| C75 | C76 | H86 | H87 | 120.0° | 120.0° |
| C75 | C76 | H86 | H88 | 120.0° | 119.9° |
| C75 | C76 | H87 | H88 | 120.0° | 120.0° |
| C76 | C75 | C77 | H89 | 5.8° | 57.7° |
| O74 | C75 | C77 | C79 | 3.5° | 57.6° |
| C75 | O74 | C73 | C82 | 55.5° | 61.1° |
| C75 | O74 | C73 | O72 | 178.7° | 178.9° |
| C75 | O74 | C73 | H84 | 61.5° | 58.8° |
| O74 | C75 | C76 | H86 | 57.5° | 60.0° |
| O74 | C75 | C76 | H87 | 177.5° | 60.1° |
| O74 | C75 | C76 | H88 | 62.5° | 179.9° |
| O74 | C75 | C77 | H89 | 115.9° | 62.2° |
| C77 | C79 | C82 | C73 | 57.9° | 57.0° |
| C77 | C79 | C82 | O80 | 124.1° | 119.9° |
| C77 | C79 | C82 | H90 | 118.5° | 119.9° |
| C77 | C79 | O80 | H90 | 118.6° | 120.1° |
| C77 | C79 | O80 | C81 | 167.6° | 89.9° |
| C79 | C77 | C75 | H85 | 116.4° | 62.4° |
| C77 | C79 | C82 | H94 | 177.1° | 62.9° |
| C79 | C77 | O78 | H102 | 59.5° | 179.6° |
| C82 | C73 | O74 | O72 | 123.2° | 120.0° |
| C82 | C73 | O74 | H84 | 117.0° | 119.9° |
| C82 | C73 | O72 | H84 | 117.9° | 120.0° |
| C73 | C82 | C79 | H94 | 119.2° | 119.9° |
| C73 | C82 | C79 | O80 | 178.0° | 62.9° |
| C82 | C73 | O72 | C71 | 31.4° | 175.0° |
| C73 | C82 | C79 | H90 | 60.6° | 176.9° |
| O74 | C73 | O72 | H84 | 118.9° | 120.0° |
| O74 | C73 | C82 | C79 | 2.2° | 57.6° |
| O74 | C73 | O72 | C71 | 91.8° | 65.0° |
| C73 | O74 | C75 | H85 | 60.9° | 58.8° |
| O74 | C73 | C82 | H94 | 122.0° | 62.3° |
| O72 | C73 | C82 | C79 | 121.3° | 177.6° |
| C73 | O72 | C71 | C69 | 132.2° | 180.0° |
| C73 | O72 | C71 | H82 | 107.7° | 60.0° |
| C73 | O72 | C71 | H83 | 12.0° | 60.0° |
| O72 | C73 | C82 | H94 | 1.5° | 57.8° |
| C82 | C79 | O80 | H90 | 117.2° | 120.3° |
| C82 | C79 | O80 | C81 | 68.2° | 150.5° |
| C79 | C82 | C73 | H84 | 119.5° | 62.3° |
| C82 | C79 | C77 | H89 | 173.9° | 62.9° |
| O80 | C79 | C77 | H89 | 63.8° | 177.2° |
| C79 | O80 | C81 | H91 | 180.0° | 180.0° |
| C79 | O80 | C81 | H92 | 60.0° | 60.0° |
| C79 | O80 | C81 | H93 | 60.0° | 59.9° |
| O80 | C79 | C82 | H94 | 58.8° | 177.2° |
| C81 | O80 | C79 | H90 | 49.0° | 30.2° |
| O80 | C81 | H91 | H92 | 120.0° | 120.0° |
| O80 | C81 | H91 | H93 | 120.0° | 120.1° |
| O80 | C81 | H92 | H93 | 120.0° | 120.0° |
| O72 | C71 | C69 | C70 | 100.0° | 63.6° |
| O72 | C71 | C69 | H82 | 120.2° | 120.0° |
| O72 | C71 | C69 | H83 | 120.2° | 120.0° |
| O72 | C71 | C69 | C49 | 139.4° | 176.4° |
| O72 | C71 | C69 | H78 | 21.2° | 56.4° |
| O72 | C71 | H82 | H83 | 119.5° | 120.0° |
| C71 | O72 | C73 | H84 | 149.3° | 55.0° |
| C70 | C69 | C71 | C49 | 120.7° | 120.0° |
| C70 | C69 | C71 | H78 | 121.2° | 120.0° |
| C70 | C69 | C49 | H78 | 122.5° | 120.0° |
| C70 | C69 | C49 | C47 | 166.2° | 179.2° |
| C70 | C69 | C49 | O50 | 39.1° | 62.0° |
| C70 | C69 | C49 | H52 | 79.7° | 59.7° |
| C69 | C70 | H79 | H80 | 120.0° | 120.0° |
| C69 | C70 | H79 | H81 | 120.0° | 119.9° |
| C69 | C70 | H80 | H81 | 120.0° | 119.9° |
| C70 | C69 | C71 | H82 | 139.9° | 56.5° |
| C70 | C69 | C71 | H83 | 20.2° | 176.4° |
| C71 | C69 | C49 | H78 | 118.0° | 120.0° |
| C71 | C69 | C49 | C47 | 74.4° | 59.2° |
| C71 | C69 | C49 | O50 | 158.6° | 177.9° |
| C71 | C69 | C49 | H52 | 39.8° | 60.3° |
| C71 | C69 | C70 | H79 | 180.0° | 64.9° |
| C71 | C69 | C70 | H80 | 60.0° | 175.1° |
| C71 | C69 | C70 | H81 | 60.0° | 55.1° |
| C69 | C71 | H82 | H83 | 119.5° | 120.0° |
| C69 | C49 | C47 | C48 | 69.0° | 83.9° |
| C69 | C49 | C47 | O50 | 125.6° | 119.9° |
| C69 | C49 | C47 | H52 | 114.1° | 120.4° |
| C69 | C49 | O50 | H52 | 118.0° | 121.9° |
| C69 | C49 | C47 | C39 | 159.2° | 153.8° |
| C69 | C49 | O50 | C51 | 107.6° | 113.8° |
| C69 | C49 | C47 | H48 | 44.3° | 34.8° |
| C49 | C69 | C70 | H79 | 63.0° | 175.1° |
| C49 | C69 | C70 | H80 | 57.0° | 55.0° |
| C49 | C69 | C70 | H81 | 177.0° | 64.9° |
| C49 | C69 | C71 | H82 | 19.2° | 63.6° |
| C49 | C69 | C71 | H83 | 100.5° | 56.4° |
| C48 | C47 | C49 | C39 | 131.8° | 122.4° |
| C48 | C47 | C49 | H48 | 113.4° | 118.7° |
| C48 | C47 | C49 | O50 | 56.6° | 36.1° |
| C48 | C47 | C39 | H48 | 114.5° | 122.3° |
| C48 | C47 | C39 | O40 | 143.0° | 87.2° |
| C48 | C47 | C39 | C37 | 86.7° | 36.9° |
| C48 | C47 | C39 | H38 | 29.6° | 157.3° |
| C47 | C48 | H49 | H50 | 120.0° | 119.9° |
| C47 | C48 | H49 | H51 | 120.0° | 120.0° |
| C47 | C48 | H50 | H51 | 120.0° | 120.0° |
| C48 | C47 | C49 | H52 | 176.9° | 155.8° |
| C47 | C49 | O50 | H52 | 119.6° | 118.9° |
| C49 | C47 | C39 | H48 | 115.1° | 118.7° |
| C47 | C49 | O50 | C51 | 130.1° | 127.0° |
| C49 | C47 | C39 | O40 | 86.7° | 31.8° |
| C49 | C47 | C39 | C37 | 43.7° | 155.9° |
| C49 | C47 | C39 | H38 | 160.0° | 83.7° |
| C49 | C47 | C48 | H49 | 180.0° | 55.0° |
| C49 | C47 | C48 | H50 | 60.0° | 64.9° |
| C49 | C47 | C48 | H51 | 60.0° | 175.1° |
| C47 | C49 | C69 | H78 | 43.6° | 60.8° |
| O50 | C49 | C47 | C39 | 75.2° | 86.3° |
| C49 | O50 | C51 | O52 | 6.6° | 7.8° |
| C49 | O50 | C51 | C53 | 173.2° | 172.1° |
| O50 | C49 | C47 | H48 | 169.9° | 154.7° |
| O50 | C49 | C69 | H78 | 83.4° | 58.0° |
| C47 | C39 | O40 | C37 | 131.2° | 127.5° |
| C47 | C39 | O40 | H38 | 112.4° | 116.5° |
| C47 | C39 | C37 | H38 | 116.1° | 120.7° |
| C47 | C39 | O40 | C41 | 65.2° | 159.7° |
| C47 | C39 | C37 | C38 | 68.3° | 98.5° |
| C47 | C39 | C37 | C35 | 164.1° | 144.4° |
| C47 | C39 | C37 | H34 | 47.5° | 19.8° |
| C39 | C47 | C48 | H49 | 47.6° | 64.2° |
| C39 | C47 | C48 | H50 | 72.5° | 175.8° |
| C39 | C47 | C48 | H51 | 167.5° | 55.8° |
| C39 | C47 | C49 | H52 | 45.1° | 33.4° |
| O50 | C51 | C53 | C54 | 103.4° | 103.4° |
| O50 | C51 | O52 | C53 | 179.8° | 179.8° |
| O50 | C51 | C53 | C55 | 135.6° | 135.8° |
| C51 | O50 | C49 | H52 | 10.4° | 8.1° |
| O50 | C51 | C53 | H53 | 16.7° | 15.9° |
| C44 | C43 | C41 | H39 | 120.9° | 120.0° |
| C44 | C43 | C41 | H40 | 120.9° | 120.0° |
| C43 | C44 | C46 | C45 | 129.4° | 120.0° |
| C43 | C44 | C46 | H41 | 115.5° | 120.0° |
| C43 | C44 | C45 | H41 | 115.2° | 120.0° |
| C44 | C43 | C41 | O40 | 157.7° | 169.8° |
| C44 | C43 | C41 | O42 | 22.4° | 10.2° |
| C44 | C43 | H39 | H40 | 117.2° | 120.0° |
| C43 | C44 | C45 | H42 | 180.0° | 66.5° |
| C43 | C44 | C45 | H43 | 60.0° | 173.6° |
| C43 | C44 | C45 | H44 | 60.0° | 53.5° |
| C43 | C44 | C46 | H45 | 180.0° | 62.5° |
| C43 | C44 | C46 | H46 | 60.0° | 177.6° |
| C43 | C44 | C46 | H47 | 60.0° | 57.5° |
| C41 | C43 | C44 | C46 | 71.8° | 64.3° |
| C41 | C43 | C44 | C45 | 57.1° | 175.7° |
| C43 | C41 | O40 | C39 | 138.5° | 177.9° |
| C43 | C41 | O40 | O42 | 179.9° | 180.0° |
| C41 | C43 | H39 | H40 | 117.2° | 120.0° |
| C41 | C43 | C44 | H41 | 172.5° | 55.7° |
| C46 | C44 | C45 | H41 | 115.1° | 120.0° |
| C46 | C44 | C43 | H39 | 49.1° | 175.7° |
| C46 | C44 | C43 | H40 | 167.3° | 55.6° |
| C46 | C44 | C45 | H42 | 50.3° | 53.5° |
| C46 | C44 | C45 | H43 | 69.7° | 66.5° |
| C46 | C44 | C45 | H44 | 170.3° | 173.5° |
| C44 | C46 | H45 | H46 | 120.0° | 120.0° |
| C44 | C46 | H45 | H47 | 120.0° | 120.0° |
| C44 | C46 | H46 | H47 | 120.0° | 120.1° |
| C54 | C53 | C51 | O52 | 76.4° | 76.7° |
| C54 | C53 | C51 | C55 | 121.0° | 120.7° |
| C54 | C53 | C51 | H53 | 120.1° | 119.4° |
| C54 | C53 | C55 | H53 | 123.7° | 119.1° |
| C54 | C53 | C55 | O56 | 41.7° | 3.0° |
| C54 | C53 | C55 | C67 | 162.9° | 116.9° |
| C53 | C54 | H54 | H55 | 120.0° | 120.0° |
| C53 | C54 | H54 | H56 | 120.0° | 120.0° |
| C53 | C54 | H55 | H56 | 120.0° | 119.9° |
| C54 | C53 | C55 | H57 | 80.4° | 122.9° |
| C45 | C44 | C43 | H39 | 178.0° | 55.7° |
| C45 | C44 | C43 | H40 | 63.8° | 64.4° |
| C44 | C45 | H42 | H43 | 120.0° | 120.0° |
| C44 | C45 | H42 | H44 | 120.0° | 120.0° |
| C44 | C45 | H43 | H44 | 120.0° | 120.0° |
| C45 | C44 | C46 | H45 | 50.6° | 177.6° |
| C45 | C44 | C46 | H46 | 170.6° | 57.6° |
| C45 | C44 | C46 | H47 | 69.4° | 62.4° |
| O52 | C51 | C53 | C55 | 44.6° | 44.0° |
| O52 | C51 | C53 | H53 | 163.6° | 163.9° |
| C51 | C53 | C55 | H53 | 118.6° | 120.3° |
| C51 | C53 | C55 | O56 | 159.4° | 117.6° |
| C51 | C53 | C55 | C67 | 79.4° | 122.5° |
| C51 | C53 | C54 | H54 | 180.0° | 60.0° |
| C51 | C53 | C54 | H55 | 60.0° | 180.0° |
| C51 | C53 | C54 | H56 | 60.0° | 60.1° |
| C51 | C53 | C55 | H57 | 37.3° | 2.4° |
| O40 | C39 | C37 | H38 | 117.1° | 115.3° |
| C39 | O40 | C41 | O42 | 41.4° | 2.0° |
| O40 | C39 | C37 | C38 | 164.8° | 137.5° |
| O40 | C39 | C37 | C35 | 37.3° | 20.4° |
| O40 | C39 | C37 | H34 | 79.3° | 104.2° |
| O40 | C39 | C47 | H48 | 28.5° | 150.5° |
| C37 | C39 | O40 | C41 | 66.0° | 72.9° |
| C39 | C37 | C38 | C35 | 126.2° | 118.1° |
| C39 | C37 | C38 | H34 | 115.7° | 123.0° |
| C39 | C37 | C35 | H34 | 116.9° | 126.5° |
| C39 | C37 | C35 | O36 | 32.1° | 92.5° |
| C39 | C37 | C35 | C15 | 149.2° | 88.1° |
| C39 | C37 | C38 | H35 | 180.0° | 178.1° |
| C39 | C37 | C38 | H36 | 60.0° | 61.9° |
| C39 | C37 | C38 | H37 | 60.0° | 58.0° |
| C37 | C39 | C47 | H48 | 158.8° | 85.4° |
| C41 | O40 | C39 | H38 | 177.6° | 43.2° |
| O40 | C41 | C43 | H39 | 81.4° | 70.2° |
| O40 | C41 | C43 | H40 | 36.8° | 49.8° |
| O42 | C41 | C43 | H39 | 98.5° | 109.8° |
| O42 | C41 | C43 | H40 | 143.3° | 130.2° |
| C53 | C55 | O56 | C67 | 119.4° | 119.9° |
| C53 | C55 | O56 | H57 | 121.3° | 120.0° |
| C53 | C55 | C67 | H57 | 117.0° | 120.1° |
| C53 | C55 | O56 | C57 | 113.4° | 83.1° |
| C53 | C55 | C67 | C68 | 69.7° | 89.7° |
| C53 | C55 | C67 | C11 | 166.6° | 150.2° |
| C55 | C53 | C54 | H54 | 63.4° | 179.0° |
| C55 | C53 | C54 | H55 | 56.6° | 59.0° |
| C55 | C53 | C54 | H56 | 176.6° | 60.9° |
| C53 | C55 | C67 | H74 | 48.0° | 29.0° |
| C38 | C37 | C35 | H34 | 118.5° | 116.2° |
| C38 | C37 | C35 | O36 | 156.7° | 24.7° |
| C38 | C37 | C35 | C15 | 24.7° | 154.6° |
| C37 | C38 | H35 | H36 | 120.0° | 120.0° |
| C37 | C38 | H35 | H37 | 120.0° | 120.0° |
| C37 | C38 | H36 | H37 | 120.0° | 120.0° |
| C38 | C37 | C39 | H38 | 47.8° | 22.2° |
| C37 | C35 | O36 | C15 | 178.9° | 179.4° |
| C37 | C35 | C15 | C16 | 22.7° | 24.5° |
| C37 | C35 | C15 | O17 | 139.4° | 143.0° |
| C37 | C35 | C15 | C14 | 102.3° | 96.6° |
| C35 | C37 | C38 | H35 | 53.9° | 60.0° |
| C35 | C37 | C38 | H36 | 173.9° | 180.0° |
| C35 | C37 | C38 | H37 | 66.2° | 60.1° |
| C35 | C37 | C39 | H38 | 79.8° | 94.9° |
| O56 | C55 | C67 | H57 | 120.5° | 119.9° |
| O56 | C55 | C67 | C68 | 52.8° | 30.3° |
| O56 | C55 | C67 | C11 | 70.9° | 89.8° |
| C55 | O56 | C57 | C58 | 154.1° | 153.1° |
| C55 | O56 | C57 | O66 | 73.0° | 83.7° |
| O56 | C55 | C53 | H53 | 82.0° | 122.1° |
| C55 | O56 | C57 | H58 | 41.5° | 34.8° |
| O56 | C55 | C67 | H74 | 170.5° | 148.9° |
| C67 | C55 | O56 | C57 | 127.2° | 157.0° |
| C55 | C67 | C68 | C11 | 122.4° | 120.7° |
| C55 | C67 | C68 | H74 | 117.5° | 118.2° |
| C55 | C67 | C11 | H74 | 118.3° | 119.9° |
| C55 | C67 | C11 | C12 | 87.5° | 114.6° |
| C55 | C67 | C11 | O10 | 150.3° | 126.8° |
| C55 | C67 | C11 | H19 | 29.9° | 5.7° |
| C67 | C55 | C53 | H53 | 39.3° | 2.2° |
| C55 | C67 | C68 | H75 | 180.0° | 60.0° |
| C55 | C67 | C68 | H76 | 60.0° | 180.0° |
| C55 | C67 | C68 | H77 | 60.0° | 60.0° |
| N25 | C24 | C21 | H7 | 120.1° | 120.0° |
| N25 | C24 | C21 | H8 | 120.1° | 120.0° |
| C24 | N25 | S26 | O28 | 107.2° | 178.6° |
| C24 | N25 | S26 | H100 | 121.3° | 180.0° |
| N25 | C24 | C21 | C23 | 76.1° | 180.0° |
| N25 | C24 | C21 | N20 | 165.2° | 60.0° |
| N25 | C24 | C21 | C22 | 44.1° | 60.0° |
| C24 | N25 | S26 | O27 | 5.7° | 48.6° |
| C24 | N25 | S26 | C29 | 128.0° | 65.0° |
| N25 | C24 | H7 | H8 | 119.6° | 120.0° |
| C21 | C24 | N25 | S26 | 112.7° | 165.0° |
| C24 | C21 | C23 | N20 | 118.1° | 120.0° |
| C24 | C21 | C23 | C22 | 120.8° | 120.0° |
| C24 | C21 | N20 | C22 | 120.8° | 119.9° |
| C24 | C21 | N20 | C18 | 133.7° | 180.0° |
| C24 | C21 | C22 | H4 | 180.0° | 60.0° |
| C24 | C21 | C22 | H5 | 60.0° | 180.0° |
| C24 | C21 | C22 | H6 | 60.0° | 60.0° |
| C21 | C24 | H7 | H8 | 119.6° | 120.0° |
| C24 | C21 | C23 | H26 | 180.0° | 180.0° |
| C24 | C21 | C23 | H27 | 60.0° | 60.0° |
| C24 | C21 | C23 | H28 | 60.0° | 60.0° |
| C24 | C21 | N20 | H99 | 46.3° | 0.1° |
| C21 | C24 | N25 | H100 | 8.6° | 15.0° |
| O28 | S26 | N25 | O27 | 113.0° | 132.8° |
| O28 | S26 | N25 | C29 | 124.7° | 113.6° |
| O28 | S26 | O27 | C29 | 119.0° | 123.0° |
| O28 | S26 | C29 | C30 | 79.4° | 23.5° |
| O28 | S26 | C29 | C34 | 100.7° | 156.2° |
| O28 | S26 | N25 | H100 | 131.5° | 1.4° |
| O56 | C57 | C58 | O66 | 129.0° | 120.8° |
| O56 | C57 | C58 | H58 | 113.7° | 118.3° |
| O56 | C57 | C58 | C59 | 69.9° | 147.7° |
| O56 | C57 | O66 | H58 | 114.5° | 118.5° |
| O56 | C57 | O66 | C64 | 94.7° | 162.0° |
| C57 | O56 | C55 | H57 | 7.8° | 36.9° |
| O56 | C57 | C58 | H59 | 168.7° | 27.8° |
| O56 | C57 | C58 | H60 | 51.5° | 92.4° |
| N25 | S26 | O27 | C29 | 121.8° | 114.1° |
| N25 | S26 | C29 | C30 | 45.2° | 90.0° |
| N25 | S26 | C29 | C34 | 134.7° | 90.3° |
| S26 | N25 | C24 | H7 | 7.4° | 45.0° |
| S26 | N25 | C24 | H8 | 127.2° | 75.0° |
| C23 | C21 | N20 | C22 | 120.2° | 120.0° |
| C23 | C21 | N20 | C18 | 107.2° | 60.0° |
| C23 | C21 | C22 | H4 | 59.5° | 180.0° |
| C23 | C21 | C22 | H5 | 60.5° | 60.0° |
| C23 | C21 | C22 | H6 | 179.5° | 60.0° |
| C23 | C21 | C24 | H7 | 163.8° | 60.0° |
| C23 | C21 | C24 | H8 | 44.0° | 60.0° |
| C21 | C23 | H26 | H27 | 120.0° | 120.0° |
| C21 | C23 | H26 | H28 | 120.0° | 120.0° |
| C21 | C23 | H27 | H28 | 120.0° | 120.0° |
| C23 | C21 | N20 | H99 | 72.8° | 120.0° |
| O36 | C35 | C15 | C16 | 158.6° | 154.8° |
| O36 | C35 | C15 | O17 | 41.8° | 36.4° |
| O36 | C35 | C15 | C14 | 76.5° | 84.1° |
| O36 | C35 | C37 | H34 | 84.8° | 140.9° |
| C35 | C15 | O17 | C18 | 60.1° | 58.4° |
| C35 | C15 | C14 | C12 | 36.5° | 147.5° |
| C35 | C15 | C16 | O17 | 115.3° | 117.1° |
| C35 | C15 | C16 | C14 | 126.0° | 121.8° |
| C35 | C15 | O17 | C14 | 116.1° | 120.8° |
| C35 | C15 | C14 | H21 | 84.0° | 26.3° |
| C35 | C15 | C14 | H22 | 157.0° | 89.8° |
| C35 | C15 | C16 | H23 | 180.0° | 177.0° |
| C35 | C15 | C16 | H24 | 60.0° | 63.0° |
| C35 | C15 | C16 | H25 | 60.0° | 57.0° |
| C15 | C35 | C37 | H34 | 93.9° | 38.4° |
| C68 | C67 | C11 | H74 | 120.1° | 120.2° |
| C68 | C67 | C11 | C12 | 150.9° | 125.5° |
| C68 | C67 | C11 | O10 | 28.7° | 6.8° |
| C68 | C67 | C11 | H19 | 91.7° | 114.2° |
| C68 | C67 | C55 | H57 | 173.3° | 150.2° |
| C67 | C68 | H75 | H76 | 120.0° | 120.0° |
| C67 | C68 | H75 | H77 | 120.0° | 120.0° |
| C67 | C68 | H76 | H77 | 120.0° | 120.1° |
| C67 | C11 | C12 | O10 | 122.4° | 119.1° |
| C67 | C11 | C12 | H19 | 117.5° | 120.9° |
| C67 | C11 | C12 | C13 | 117.7° | 68.1° |
| C67 | C11 | C12 | C14 | 121.1° | 55.3° |
| C67 | C11 | O10 | H19 | 119.9° | 121.0° |
| C67 | C11 | O10 | C09 | 118.2° | 151.1° |
| C67 | C11 | C12 | H20 | 1.1° | 174.5° |
| C11 | C67 | C55 | H57 | 49.6° | 30.1° |
| C11 | C67 | C68 | H75 | 57.5° | 179.3° |
| C11 | C67 | C68 | H76 | 62.4° | 59.4° |
| C11 | C67 | C68 | H77 | 177.6° | 60.7° |
| C57 | C58 | C59 | H59 | 121.4° | 119.9° |
| C57 | C58 | C59 | H60 | 121.4° | 119.9° |
| C58 | C57 | O66 | H58 | 116.5° | 120.8° |
| C57 | C58 | C59 | C60 | 59.0° | 164.0° |
| C57 | C58 | C59 | N61 | 70.8° | 75.4° |
| C58 | C57 | O66 | C64 | 34.3° | 41.3° |
| C57 | C58 | H59 | H60 | 115.5° | 120.1° |
| C57 | C58 | C59 | H61 | 171.5° | 45.0° |
| C59 | C58 | C57 | O66 | 59.1° | 91.5° |
| C58 | C59 | C60 | N61 | 129.8° | 121.9° |
| C58 | C59 | C60 | H61 | 112.5° | 119.1° |
| C58 | C59 | N61 | H61 | 116.1° | 120.5° |
| C58 | C59 | N61 | C63 | 11.1° | 61.3° |
| C58 | C59 | N61 | C62 | 144.4° | 65.4° |
| C59 | C58 | C57 | H58 | 176.4° | 29.3° |
| C59 | C58 | H59 | H60 | 115.5° | 120.2° |
| C58 | C59 | C60 | H62 | 180.0° | 60.0° |
| C58 | C59 | C60 | H63 | 60.0° | 180.0° |
| C58 | C59 | C60 | H64 | 60.0° | 60.0° |
| C21 | N20 | C18 | H99 | 180.0° | 179.9° |
| C21 | N20 | C18 | O19 | 100.3° | 0.0° |
| C21 | N20 | C18 | O17 | 80.7° | 179.9° |
| N20 | C21 | C22 | H4 | 60.6° | 60.0° |
| N20 | C21 | C22 | H5 | 179.4° | 60.0° |
| N20 | C21 | C22 | H6 | 59.4° | 180.0° |
| N20 | C21 | C24 | H7 | 45.0° | 179.9° |
| N20 | C21 | C24 | H8 | 74.7° | 60.1° |
| N20 | C21 | C23 | H26 | 61.9° | 60.0° |
| N20 | C21 | C23 | H27 | 58.0° | 60.0° |
| N20 | C21 | C23 | H28 | 178.0° | 180.0° |
| C18 | N20 | C21 | C22 | 13.0° | 60.0° |
| N20 | C18 | O19 | O17 | 179.0° | 180.0° |
| N20 | C18 | O17 | C15 | 91.1° | 180.0° |
| C57 | O66 | C64 | C63 | 53.6° | 40.7° |
| C57 | O66 | C64 | C65 | 172.9° | 161.3° |
| O66 | C57 | C58 | H59 | 62.3° | 148.6° |
| O66 | C57 | C58 | H60 | 179.5° | 28.4° |
| C57 | O66 | C64 | H70 | 68.7° | 79.8° |
| C21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C21 | C22 | H4 | H6 | 120.0° | 120.0° |
| C21 | C22 | H5 | H6 | 120.0° | 119.9° |
| C22 | C21 | C24 | H7 | 76.1° | 60.0° |
| C22 | C21 | C24 | H8 | 164.2° | 180.0° |
| C22 | C21 | C23 | H26 | 59.2° | 60.0° |
| C22 | C21 | C23 | H27 | 179.2° | 180.0° |
| C22 | C21 | C23 | H28 | 60.9° | 60.0° |
| C22 | C21 | N20 | H99 | 167.0° | 120.0° |
| O27 | S26 | C29 | C30 | 167.8° | 156.4° |
| O27 | S26 | C29 | C34 | 12.1° | 23.3° |
| O27 | S26 | N25 | H100 | 115.6° | 131.4° |
| S26 | C29 | C30 | C34 | 179.9° | 179.7° |
| S26 | C29 | C30 | C31 | 180.0° | 179.7° |
| S26 | C29 | C34 | C33 | 180.0° | 179.7° |
| S26 | C29 | C30 | H29 | 0.0° | 0.4° |
| S26 | C29 | C34 | H33 | 0.1° | 0.3° |
| C29 | S26 | N25 | H100 | 6.8° | 115.0° |
| C60 | C59 | N61 | H61 | 116.0° | 119.0° |
| C60 | C59 | N61 | C63 | 116.8° | 178.2° |
| C60 | C59 | N61 | C62 | 16.4° | 55.2° |
| C60 | C59 | C58 | H59 | 179.6° | 44.2° |
| C60 | C59 | C58 | H60 | 62.4° | 76.0° |
| C59 | C60 | H62 | H63 | 120.0° | 120.0° |
| C59 | C60 | H62 | H64 | 120.0° | 120.0° |
| C59 | C60 | H63 | H64 | 120.0° | 120.0° |
| C59 | N61 | C63 | C62 | 135.1° | 126.6° |
| C59 | N61 | C63 | C64 | 69.6° | 80.4° |
| N61 | C59 | C58 | H59 | 50.6° | 164.7° |
| N61 | C59 | C58 | H60 | 167.7° | 44.5° |
| N61 | C59 | C60 | H62 | 50.2° | 61.9° |
| N61 | C59 | C60 | H63 | 170.2° | 58.0° |
| N61 | C59 | C60 | H64 | 69.8° | 178.1° |
| C59 | N61 | C62 | H65 | 180.0° | 59.3° |
| C59 | N61 | C62 | H66 | 60.0° | 179.3° |
| C59 | N61 | C62 | H67 | 60.0° | 60.7° |
| C59 | N61 | C63 | H68 | 51.0° | 159.9° |
| C59 | N61 | C63 | H69 | 169.8° | 39.3° |
| O19 | C18 | O17 | C15 | 87.9° | 0.0° |
| O19 | C18 | N20 | H99 | 79.7° | 180.0° |
| C18 | O17 | C15 | C16 | 68.8° | 60.0° |
| C18 | O17 | C15 | C14 | 176.3° | 179.2° |
| O17 | C18 | N20 | H99 | 99.3° | 0.0° |
| O66 | C64 | C63 | N61 | 100.1° | 93.4° |
| O66 | C64 | C63 | C65 | 119.3° | 120.6° |
| O66 | C64 | C63 | H70 | 122.9° | 120.5° |
| O66 | C64 | C65 | H70 | 119.1° | 118.9° |
| C64 | O66 | C57 | H58 | 150.8° | 79.5° |
| O66 | C64 | C63 | H68 | 20.5° | 147.0° |
| O66 | C64 | C63 | H69 | 139.3° | 26.5° |
| O66 | C64 | C65 | H71 | 180.0° | 168.8° |
| O66 | C64 | C65 | H72 | 60.0° | 71.1° |
| O66 | C64 | C65 | H73 | 60.0° | 48.9° |
| C11 | C12 | C13 | C14 | 123.5° | 121.1° |
| C11 | C12 | C13 | H20 | 118.6° | 117.1° |
| C11 | C12 | C14 | H20 | 120.0° | 118.4° |
| C12 | C11 | O10 | H19 | 119.5° | 119.3° |
| C11 | C12 | C14 | C15 | 97.3° | 165.4° |
| C12 | C11 | O10 | C09 | 121.2° | 89.3° |
| C11 | C12 | C13 | H1 | 180.0° | 59.9° |
| C11 | C12 | C13 | H2 | 60.0° | 180.0° |
| C11 | C12 | C13 | H3 | 60.0° | 60.0° |
| C11 | C12 | C14 | H21 | 142.2° | 73.1° |
| C11 | C12 | C14 | H22 | 23.2° | 42.7° |
| C12 | C11 | C67 | H74 | 30.9° | 5.3° |
| C13 | C12 | C14 | H20 | 118.2° | 121.4° |
| C13 | C12 | C11 | O10 | 119.9° | 51.0° |
| C13 | C12 | C14 | C15 | 140.8° | 45.2° |
| C12 | C13 | H1 | H2 | 120.0° | 120.1° |
| C12 | C13 | H1 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C12 | C11 | H19 | 0.3° | 171.0° |
| C13 | C12 | C14 | H21 | 20.3° | 166.7° |
| C13 | C12 | C14 | H22 | 98.7° | 77.5° |
| C14 | C12 | C11 | O10 | 1.3° | 174.4° |
| C12 | C14 | C15 | C16 | 97.5° | 91.7° |
| C12 | C14 | C15 | O17 | 148.4° | 28.9° |
| C12 | C14 | C15 | H21 | 120.5° | 121.2° |
| C12 | C14 | C15 | H22 | 120.5° | 122.8° |
| C14 | C12 | C13 | H1 | 56.6° | 61.2° |
| C14 | C12 | C13 | H2 | 176.5° | 58.9° |
| C14 | C12 | C13 | H3 | 63.5° | 178.8° |
| C14 | C12 | C11 | H19 | 121.4° | 65.6° |
| C12 | C14 | H21 | H22 | 118.5° | 117.8° |
| C11 | O10 | C09 | C85 | 157.5° | 175.0° |
| C11 | O10 | C09 | O08 | 81.2° | 64.8° |
| C11 | O10 | C09 | H18 | 39.5° | 54.9° |
| O10 | C11 | C12 | H20 | 121.3° | 66.4° |
| O10 | C11 | C67 | H74 | 91.3° | 113.3° |
| C16 | C15 | O17 | C14 | 115.0° | 120.8° |
| C16 | C15 | C14 | H21 | 142.0° | 147.1° |
| C16 | C15 | C14 | H22 | 23.0° | 31.1° |
| C15 | C16 | H23 | H24 | 120.0° | 120.0° |
| C15 | C16 | H23 | H25 | 120.0° | 120.0° |
| C15 | C16 | H24 | H25 | 120.0° | 120.0° |
| O17 | C15 | C14 | H21 | 27.9° | 92.3° |
| O17 | C15 | C14 | H22 | 91.1° | 151.7° |
| O17 | C15 | C16 | H23 | 64.7° | 59.9° |
| O17 | C15 | C16 | H24 | 175.3° | 180.0° |
| O17 | C15 | C16 | H25 | 55.3° | 60.0° |
| C15 | C14 | C12 | H20 | 22.6° | 76.2° |
| C15 | C14 | H21 | H22 | 118.5° | 117.9° |
| C14 | C15 | C16 | H23 | 54.0° | 61.2° |
| C14 | C15 | C16 | H24 | 66.0° | 58.9° |
| C14 | C15 | C16 | H25 | 174.0° | 178.9° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C29 | C30 | C31 | H30 | 179.9° | 179.9° |
| C30 | C29 | C34 | H33 | 180.0° | 180.0° |
| C34 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C34 | C33 | H33 | 180.0° | 180.0° |
| C29 | C34 | C33 | C32 | 0.1° | 0.1° |
| C34 | C29 | C30 | H29 | 179.9° | 179.9° |
| C29 | C34 | C33 | H32 | 179.9° | 180.0° |
| O10 | C09 | C85 | O86 | 74.9° | 67.8° |
| O10 | C09 | C85 | O08 | 119.8° | 120.3° |
| O10 | C09 | C85 | H18 | 119.3° | 120.1° |
| O10 | C09 | O08 | H18 | 120.9° | 120.0° |
| O10 | C09 | C85 | C04 | 163.9° | 172.2° |
| O10 | C09 | O08 | C06 | 178.0° | 175.4° |
| C09 | O10 | C11 | H19 | 1.7° | 30.0° |
| O10 | C09 | C85 | H98 | 43.5° | 53.0° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C30 | C31 | C32 | H31 | 179.8° | 180.0° |
| N61 | C63 | C64 | H68 | 120.6° | 119.7° |
| N61 | C63 | C64 | H69 | 120.6° | 119.8° |
| N61 | C63 | C64 | C65 | 140.6° | 146.0° |
| C63 | N61 | C59 | H61 | 127.1° | 59.2° |
| C63 | N61 | C62 | H65 | 44.5° | 69.2° |
| C63 | N61 | C62 | H66 | 164.5° | 50.8° |
| C63 | N61 | C62 | H67 | 75.5° | 170.8° |
| N61 | C63 | H68 | H69 | 118.2° | 120.7° |
| N61 | C63 | C64 | H70 | 22.7° | 27.2° |
| C62 | N61 | C63 | C64 | 65.5° | 46.2° |
| C62 | N61 | C59 | H61 | 99.6° | 174.1° |
| N61 | C62 | H65 | H66 | 120.0° | 120.0° |
| N61 | C62 | H65 | H67 | 120.0° | 120.0° |
| N61 | C62 | H66 | H67 | 119.9° | 120.1° |
| C62 | N61 | C63 | H68 | 173.9° | 73.4° |
| C62 | N61 | C63 | H69 | 55.1° | 165.9° |
| C63 | C64 | C65 | H70 | 118.0° | 118.8° |
| C64 | C63 | H68 | H69 | 118.2° | 120.4° |
| C63 | C64 | C65 | H71 | 57.1° | 46.5° |
| C63 | C64 | C65 | H72 | 177.2° | 166.5° |
| C63 | C64 | C65 | H73 | 62.9° | 73.5° |
| C65 | C64 | C63 | H68 | 98.8° | 26.3° |
| C65 | C64 | C63 | H69 | 20.0° | 94.2° |
| C64 | C65 | H71 | H72 | 120.0° | 120.1° |
| C64 | C65 | H71 | H73 | 120.0° | 120.0° |
| C64 | C65 | H72 | H73 | 120.0° | 120.0° |
| O86 | C85 | C09 | C04 | 121.3° | 120.1° |
| O86 | C85 | C09 | H98 | 118.3° | 120.7° |
| O86 | C85 | C09 | O08 | 165.3° | 171.9° |
| O86 | C85 | C04 | H98 | 118.3° | 120.6° |
| O86 | C85 | C04 | C05 | 112.9° | 168.3° |
| O86 | C85 | C04 | N03 | 88.0° | 11.9° |
| O86 | C85 | C09 | H18 | 44.4° | 52.3° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C34 | C33 | C32 | H31 | 179.8° | 179.9° |
| C85 | C09 | O08 | H18 | 120.1° | 119.9° |
| C09 | C85 | C04 | H98 | 120.4° | 119.5° |
| C85 | C09 | O08 | C06 | 63.0° | 64.4° |
| C09 | C85 | C04 | C05 | 8.4° | 48.4° |
| C09 | C85 | C04 | N03 | 150.6° | 131.8° |
| C09 | C85 | O86 | H103 | 180.0° | 180.0° |
| O08 | C09 | C85 | C04 | 44.1° | 51.8° |
| C09 | O08 | C06 | C05 | 26.0° | 64.5° |
| C09 | O08 | C06 | C07 | 147.7° | 175.6° |
| C09 | O08 | C06 | H14 | 94.9° | 55.4° |
| O08 | C09 | C85 | H98 | 76.3° | 67.3° |
| C31 | C32 | C33 | H31 | 180.0° | 180.0° |
| C32 | C31 | C30 | H29 | 179.8° | 179.9° |
| C31 | C32 | C33 | H32 | 179.8° | 180.0° |
| C85 | C04 | C05 | N03 | 158.8° | 179.8° |
| C85 | C04 | C05 | C06 | 44.2° | 48.6° |
| C85 | C04 | N03 | O02 | 144.3° | 179.8° |
| C85 | C04 | C05 | H12 | 76.7° | 168.3° |
| C85 | C04 | C05 | H13 | 165.1° | 71.1° |
| C04 | C85 | C09 | H18 | 76.9° | 67.7° |
| C04 | C85 | O86 | H103 | 55.3° | 61.1° |
| O08 | C06 | C05 | C04 | 28.3° | 52.2° |
| O08 | C06 | C05 | C07 | 121.4° | 119.9° |
| O08 | C06 | C05 | H14 | 121.5° | 119.9° |
| O08 | C06 | C07 | H14 | 117.9° | 120.2° |
| O08 | C06 | C05 | H12 | 92.6° | 171.9° |
| O08 | C06 | C05 | H13 | 149.2° | 67.4° |
| O08 | C06 | C07 | H15 | 180.0° | 59.7° |
| O08 | C06 | C07 | H16 | 60.0° | 60.2° |
| O08 | C06 | C07 | H17 | 60.0° | 179.8° |
| C06 | O08 | C09 | H18 | 57.1° | 55.5° |
| C33 | C32 | C31 | H30 | 179.8° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C04 | C05 | C06 | H12 | 120.9° | 119.6° |
| C04 | C05 | C06 | H13 | 120.9° | 119.7° |
| C04 | C05 | C06 | C07 | 93.1° | 172.2° |
| C05 | C04 | N03 | O02 | 59.0° | 0.0° |
| C04 | C05 | H12 | H13 | 117.2° | 120.6° |
| C04 | C05 | C06 | H14 | 149.8° | 67.7° |
| C05 | C04 | C85 | H98 | 128.8° | 71.1° |
| N03 | C04 | C05 | C06 | 114.5° | 131.5° |
| C04 | N03 | O02 | C01 | 61.4° | 180.0° |
| N03 | C04 | C05 | H12 | 124.6° | 11.9° |
| N03 | C04 | C05 | H13 | 6.4° | 108.7° |
| N03 | C04 | C85 | H98 | 30.3° | 108.7° |
| C05 | C06 | C07 | H14 | 117.1° | 120.1° |
| C06 | C05 | H12 | H13 | 117.2° | 120.7° |
| C05 | C06 | C07 | H15 | 55.0° | 60.0° |
| C05 | C06 | C07 | H16 | 65.0° | 180.0° |
| C05 | C06 | C07 | H17 | 175.0° | 60.1° |
| C07 | C06 | C05 | H12 | 146.0° | 68.2° |
| C07 | C06 | C05 | H13 | 27.8° | 52.5° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H17 | 120.0° | 120.1° |
| C06 | C07 | H16 | H17 | 120.0° | 120.0° |
| N03 | O02 | C01 | H9 | 180.0° | 59.9° |
| N03 | O02 | C01 | H10 | 60.0° | 180.0° |
| N03 | O02 | C01 | H11 | 60.0° | 60.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.1° |
| O02 | C01 | H9 | H11 | 120.0° | 120.0° |
| O02 | C01 | H10 | H11 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H1 | C13 | C12 | H20 | 61.4° | 177.0° |
| H2 | C13 | C12 | H20 | 58.6° | 62.9° |
| H3 | C13 | C12 | H20 | 178.6° | 57.1° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C24 | N25 | H100 | 128.7° | 135.0° |
| H8 | C24 | N25 | H100 | 111.6° | 105.0° |
| H9 | C01 | H10 | H11 | 120.0° | 119.9° |
| H12 | C05 | C06 | H14 | 28.9° | 52.0° |
| H13 | C05 | C06 | H14 | 89.3° | 172.6° |
| H14 | C06 | C07 | H15 | 62.1° | 179.9° |
| H14 | C06 | C07 | H16 | 177.9° | 59.9° |
| H14 | C06 | C07 | H17 | 57.9° | 60.0° |
| H15 | C07 | H16 | H17 | 120.0° | 120.0° |
| H18 | C09 | C85 | H98 | 162.7° | 173.1° |
| H19 | C11 | C12 | H20 | 118.6° | 53.6° |
| H19 | C11 | C67 | H74 | 148.3° | 125.6° |
| H20 | C12 | C14 | H21 | 97.9° | 45.3° |
| H20 | C12 | C14 | H22 | 143.1° | 161.1° |
| H23 | C16 | H24 | H25 | 120.0° | 120.0° |
| H26 | C23 | H27 | H28 | 120.0° | 120.0° |
| H29 | C30 | C31 | H30 | 0.2° | 0.0° |
| H30 | C31 | C32 | H31 | 0.2° | 0.0° |
| H31 | C32 | C33 | H32 | 0.2° | 0.0° |
| H32 | C33 | C34 | H33 | 0.1° | 0.1° |
| H34 | C37 | C38 | H35 | 64.3° | 59.0° |
| H34 | C37 | C38 | H36 | 55.7° | 61.0° |
| H34 | C37 | C38 | H37 | 175.7° | 179.0° |
| H34 | C37 | C39 | H38 | 163.6° | 140.5° |
| H35 | C38 | H36 | H37 | 120.0° | 120.0° |
| H38 | C39 | C47 | H48 | 84.9° | 35.0° |
| H39 | C43 | C44 | H41 | 66.6° | 64.3° |
| H40 | C43 | C44 | H41 | 51.6° | 175.7° |
| H41 | C44 | C45 | H42 | 64.8° | 173.5° |
| H41 | C44 | C45 | H43 | 175.2° | 53.6° |
| H41 | C44 | C45 | H44 | 55.2° | 66.4° |
| H41 | C44 | C46 | H45 | 64.5° | 57.6° |
| H41 | C44 | C46 | H46 | 55.5° | 62.4° |
| H41 | C44 | C46 | H47 | 175.5° | 177.6° |
| H42 | C45 | H43 | H44 | 120.0° | 120.0° |
| H45 | C46 | H46 | H47 | 120.0° | 120.0° |
| H48 | C47 | C48 | H49 | 66.6° | 173.5° |
| H48 | C47 | C48 | H50 | 173.3° | 53.5° |
| H48 | C47 | C48 | H51 | 53.4° | 66.5° |
| H48 | C47 | C49 | H52 | 69.8° | 85.6° |
| H49 | C48 | H50 | H51 | 120.0° | 120.0° |
| H52 | C49 | C69 | H78 | 157.8° | 179.7° |
| H53 | C53 | C54 | H54 | 60.2° | 59.8° |
| H53 | C53 | C54 | H55 | 179.7° | 60.2° |
| H53 | C53 | C54 | H56 | 59.7° | 179.9° |
| H53 | C53 | C55 | H57 | 155.9° | 117.9° |
| H54 | C54 | H55 | H56 | 120.0° | 120.1° |
| H57 | C55 | C67 | H74 | 69.0° | 91.1° |
| H58 | C57 | C58 | H59 | 55.0° | 90.6° |
| H58 | C57 | C58 | H60 | 62.2° | 149.3° |
| H59 | C58 | C59 | H61 | 67.1° | 74.9° |
| H60 | C58 | C59 | H61 | 50.1° | 165.0° |
| H61 | C59 | C60 | H62 | 67.4° | 179.1° |
| H61 | C59 | C60 | H63 | 52.6° | 60.9° |
| H61 | C59 | C60 | H64 | 172.5° | 59.1° |
| H62 | C60 | H63 | H64 | 120.0° | 120.0° |
| H65 | C62 | H66 | H67 | 120.0° | 120.0° |
| H68 | C63 | C64 | H70 | 143.3° | 92.5° |
| H69 | C63 | C64 | H70 | 97.8° | 147.0° |
| H70 | C64 | C65 | H71 | 60.9° | 72.3° |
| H70 | C64 | C65 | H72 | 59.1° | 47.8° |
| H70 | C64 | C65 | H73 | 179.1° | 167.7° |
| H71 | C65 | H72 | H73 | 120.0° | 119.9° |
| H74 | C67 | C68 | H75 | 62.5° | 58.2° |
| H74 | C67 | C68 | H76 | 177.5° | 61.8° |
| H74 | C67 | C68 | H77 | 57.5° | 178.2° |
| H75 | C68 | H76 | H77 | 120.0° | 120.0° |
| H78 | C69 | C70 | H79 | 59.2° | 55.1° |
| H78 | C69 | C70 | H80 | 179.2° | 65.0° |
| H78 | C69 | C70 | H81 | 60.7° | 175.1° |
| H78 | C69 | C71 | H82 | 98.9° | 176.4° |
| H78 | C69 | C71 | H83 | 141.4° | 63.6° |
| H79 | C70 | H80 | H81 | 120.0° | 120.0° |
| H84 | C73 | C82 | H94 | 120.7° | 177.8° |
| H85 | C75 | C76 | H86 | 61.9° | 180.0° |
| H85 | C75 | C76 | H87 | 58.1° | 59.9° |
| H85 | C75 | C76 | H88 | 178.1° | 60.1° |
| H85 | C75 | C77 | H89 | 124.3° | 177.8° |
| H86 | C76 | H87 | H88 | 120.0° | 120.0° |
| H89 | C77 | C79 | H90 | 55.2° | 57.1° |
| H89 | C77 | O78 | H102 | 60.8° | 60.2° |
| H90 | C79 | C82 | H94 | 58.6° | 57.0° |
| H91 | C81 | H92 | H93 | 120.0° | 120.0° |
| H95 | C84 | H96 | H97 | 120.0° | 120.1° |
| H98 | C85 | O86 | H103 | 62.4° | 59.2° |
