YFH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C92 | S93 | sing | 1.71Å | 1.76Å | Aromatic |
| C92 | N91 | doub | 1.29Å | 1.32Å | Aromatic |
| S93 | C88 | sing | 1.76Å | 1.77Å | Aromatic |
| N91 | C89 | sing | 1.31Å | 1.45Å | Aromatic |
| C89 | C88 | doub | 1.35Å | 1.39Å | Aromatic |
| C89 | C90 | sing | 1.51Å | 1.50Å | |
| C88 | C87 | sing | 1.48Å | 1.50Å | |
| C86 | C87 | doub | 1.40Å | 1.42Å | Aromatic |
| C86 | C85 | sing | 1.38Å | 1.42Å | Aromatic |
| C87 | C94 | sing | 1.40Å | 1.41Å | Aromatic |
| C85 | C84 | doub | 1.38Å | 1.42Å | Aromatic |
| C94 | C95 | doub | 1.38Å | 1.41Å | Aromatic |
| C84 | C95 | sing | 1.38Å | 1.40Å | Aromatic |
| C84 | C82 | sing | 1.51Å | 1.58Å | |
| C83 | C82 | sing | 1.53Å | 1.54Å | |
| C82 | N81 | sing | 1.46Å | 1.48Å | |
| OAF | S02 | doub | 1.42Å | 1.42Å | |
| O01 | S02 | doub | 1.42Å | 1.41Å | |
| N81 | C80 | sing | 1.35Å | 1.45Å | |
| S02 | N35 | sing | 1.66Å | 1.75Å | |
| S02 | C03 | sing | 1.76Å | 1.97Å | |
| O96 | C80 | doub | 1.21Å | 1.21Å | |
| C80 | C79 | sing | 1.51Å | 1.56Å | |
| N35 | C36 | sing | 1.35Å | 1.50Å | |
| C03 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C97 | C79 | sing | 1.54Å | 1.57Å | |
| C97 | C98 | sing | 1.55Å | 1.52Å | |
| C36 | OAE | doub | 1.22Å | 1.21Å | |
| C36 | C37 | sing | 1.47Å | 1.56Å | |
| C79 | N78 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | doub | 1.38Å | 1.45Å | Aromatic |
| F11 | C08 | sing | 1.40Å | 1.35Å | |
| F10 | C08 | sing | 1.40Å | 1.35Å | |
| CA8 | C57 | sing | 1.53Å | 1.54Å | |
| C38 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | CAD | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| OA1 | C77 | doub | 1.21Å | 1.22Å | |
| C08 | F09 | sing | 1.40Å | 1.34Å | |
| C08 | S06 | sing | 1.81Å | 2.01Å | |
| C05 | C15 | sing | 1.39Å | 1.45Å | Aromatic |
| C05 | S06 | sing | 1.76Å | 1.78Å | |
| N78 | C77 | sing | 1.35Å | 1.44Å | |
| N78 | CA0 | sing | 1.47Å | 1.51Å | |
| O99 | C98 | sing | 1.43Å | 1.41Å | |
| C75 | C73 | sing | 1.53Å | 1.55Å | |
| C98 | CA0 | sing | 1.55Å | 1.58Å | |
| C39 | C40 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.44Å | |
| C43 | N44 | sing | 1.47Å | 1.47Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| CAD | CAC | doub | 1.38Å | 1.42Å | Aromatic |
| C77 | C72 | sing | 1.51Å | 1.62Å | |
| CA9 | C57 | sing | 1.53Å | 1.56Å | |
| CA9 | C46 | sing | 1.50Å | 1.55Å | |
| N44 | CAA | sing | 1.47Å | 1.47Å | |
| N44 | C45 | sing | 1.47Å | 1.51Å | |
| C57 | C58 | sing | 1.53Å | 1.59Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| O12 | S06 | doub | 1.42Å | 1.42Å | |
| S06 | O07 | doub | 1.42Å | 1.42Å | |
| CAA | CAB | sing | 1.53Å | 1.57Å | |
| C40 | CAC | sing | 1.39Å | 1.41Å | Aromatic |
| C40 | N41 | sing | 1.39Å | 1.50Å | |
| C76 | C73 | sing | 1.53Å | 1.54Å | |
| N16 | C17 | sing | 1.46Å | 1.52Å | |
| C73 | C72 | sing | 1.53Å | 1.59Å | |
| C73 | C74 | sing | 1.53Å | 1.53Å | |
| C58 | N59 | sing | 1.47Å | 1.51Å | |
| CA6 | CA7 | sing | 1.53Å | 1.56Å | |
| CA6 | N62 | sing | 1.47Å | 1.48Å | |
| CA7 | N59 | sing | 1.47Å | 1.49Å | |
| C56 | C55 | sing | 1.53Å | 1.56Å | |
| C42 | N41 | sing | 1.47Å | 1.51Å | |
| OA5 | C63 | doub | 1.21Å | 1.22Å | |
| N41 | CAB | sing | 1.47Å | 1.51Å | |
| C72 | N71 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C27 | sing | 1.53Å | 1.60Å | |
| C46 | C45 | sing | 1.51Å | 1.56Å | |
| C46 | C47 | doub | 1.31Å | 1.41Å | |
| N59 | C60 | sing | 1.47Å | 1.50Å | |
| C55 | C47 | sing | 1.50Å | 1.55Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| N71 | C70 | sing | 1.35Å | 1.44Å | |
| N62 | C63 | sing | 1.35Å | 1.43Å | |
| N62 | C61 | sing | 1.47Å | 1.50Å | |
| C63 | C64 | sing | 1.51Å | 1.56Å | |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.48Å | 1.61Å | |
| C27 | S28 | sing | 1.81Å | 1.92Å | |
| C34 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | S28 | sing | 1.76Å | 1.85Å | |
| N20 | C26 | sing | 1.48Å | 1.51Å | |
| N20 | C19 | sing | 1.47Å | 1.50Å | |
| N20 | C21 | sing | 1.50Å | 1.51Å | |
| C26 | C24 | sing | 1.59Å | 1.53Å | |
| C60 | C61 | sing | 1.53Å | 1.57Å | |
| C70 | OA2 | doub | 1.21Å | 1.22Å | |
| C70 | C69 | sing | 1.51Å | 1.57Å | |
| CA4 | CA3 | sing | 1.53Å | 1.54Å | |
| CA4 | N65 | sing | 1.47Å | 1.48Å | |
| N68 | CA3 | sing | 1.47Å | 1.49Å | |
| N68 | C67 | sing | 1.47Å | 1.48Å | |
| N68 | C69 | sing | 1.47Å | 1.52Å | |
| C64 | N65 | sing | 1.47Å | 1.50Å | |
| C48 | C54 | doub | 1.40Å | 1.43Å | Aromatic |
| C48 | C49 | sing | 1.40Å | 1.41Å | Aromatic |
| C66 | C67 | sing | 1.53Å | 1.54Å | |
| C66 | N65 | sing | 1.47Å | 1.49Å | |
| C54 | C53 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.57Å | 1.54Å | |
| C24 | O23 | sing | 1.46Å | 1.42Å | |
| C25 | C21 | sing | 1.57Å | 1.56Å | |
| C21 | C22 | sing | 1.56Å | 1.54Å | |
| C49 | C50 | doub | 1.38Å | 1.41Å | Aromatic |
| C53 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| O23 | C22 | sing | 1.44Å | 1.43Å | |
| C50 | C51 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | CL52 | sing | 1.74Å | 1.77Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.08Å | 1.08Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C49 | H32 | sing | 1.08Å | 1.08Å | |
| C50 | H33 | sing | 1.08Å | 1.08Å | |
| C53 | H34 | sing | 1.08Å | 1.08Å | |
| C54 | H35 | sing | 1.08Å | 1.08Å | |
| C55 | H36 | sing | 1.09Å | 1.10Å | |
| C55 | H37 | sing | 1.09Å | 1.10Å | |
| C56 | H38 | sing | 1.09Å | 1.10Å | |
| C56 | H39 | sing | 1.09Å | 1.10Å | |
| C58 | H40 | sing | 1.09Å | 1.10Å | |
| C58 | H41 | sing | 1.09Å | 1.10Å | |
| C60 | H42 | sing | 1.09Å | 1.10Å | |
| C60 | H43 | sing | 1.09Å | 1.10Å | |
| C61 | H44 | sing | 1.09Å | 1.10Å | |
| C61 | H45 | sing | 1.09Å | 1.10Å | |
| C64 | H46 | sing | 1.09Å | 1.10Å | |
| C64 | H47 | sing | 1.09Å | 1.10Å | |
| C66 | H48 | sing | 1.09Å | 1.10Å | |
| C66 | H49 | sing | 1.09Å | 1.10Å | |
| C67 | H50 | sing | 1.09Å | 1.10Å | |
| C67 | H51 | sing | 1.09Å | 1.10Å | |
| C69 | H52 | sing | 1.09Å | 1.10Å | |
| C69 | H53 | sing | 1.09Å | 1.10Å | |
| C72 | H54 | sing | 1.09Å | 1.10Å | |
| C74 | H55 | sing | 1.09Å | 1.10Å | |
| C74 | H56 | sing | 1.09Å | 1.10Å | |
| C74 | H57 | sing | 1.09Å | 1.10Å | |
| C75 | H58 | sing | 1.09Å | 1.10Å | |
| C75 | H59 | sing | 1.09Å | 1.10Å | |
| C75 | H60 | sing | 1.09Å | 1.10Å | |
| C76 | H61 | sing | 1.09Å | 1.10Å | |
| C76 | H62 | sing | 1.09Å | 1.10Å | |
| C76 | H63 | sing | 1.09Å | 1.10Å | |
| C79 | H64 | sing | 1.09Å | 1.10Å | |
| C82 | H65 | sing | 1.09Å | 1.10Å | |
| C83 | H66 | sing | 1.09Å | 1.10Å | |
| C83 | H67 | sing | 1.09Å | 1.10Å | |
| C83 | H68 | sing | 1.09Å | 1.10Å | |
| C85 | H69 | sing | 1.08Å | 1.08Å | |
| C86 | H70 | sing | 1.08Å | 1.08Å | |
| C90 | H71 | sing | 1.09Å | 1.10Å | |
| C90 | H72 | sing | 1.09Å | 1.10Å | |
| C90 | H73 | sing | 1.09Å | 1.10Å | |
| C92 | H74 | sing | 1.08Å | 1.08Å | |
| C94 | H75 | sing | 1.08Å | 1.08Å | |
| C95 | H76 | sing | 1.08Å | 1.08Å | |
| C97 | H77 | sing | 1.09Å | 1.10Å | |
| C97 | H78 | sing | 1.09Å | 1.10Å | |
| C98 | H79 | sing | 1.09Å | 1.10Å | |
| CA0 | H80 | sing | 1.09Å | 1.10Å | |
| CA0 | H81 | sing | 1.09Å | 1.10Å | |
| CA3 | H82 | sing | 1.09Å | 1.10Å | |
| CA3 | H83 | sing | 1.09Å | 1.10Å | |
| CA4 | H84 | sing | 1.09Å | 1.10Å | |
| CA4 | H85 | sing | 1.09Å | 1.10Å | |
| CA6 | H86 | sing | 1.09Å | 1.10Å | |
| CA6 | H87 | sing | 1.09Å | 1.10Å | |
| CA7 | H88 | sing | 1.09Å | 1.10Å | |
| CA7 | H89 | sing | 1.09Å | 1.10Å | |
| CA8 | H90 | sing | 1.09Å | 1.10Å | |
| CA8 | H91 | sing | 1.09Å | 1.10Å | |
| CA8 | H92 | sing | 1.09Å | 1.10Å | |
| CA9 | H93 | sing | 1.09Å | 1.10Å | |
| CA9 | H94 | sing | 1.09Å | 1.10Å | |
| CAA | H95 | sing | 1.09Å | 1.10Å | |
| CAA | H96 | sing | 1.09Å | 1.10Å | |
| CAB | H97 | sing | 1.09Å | 1.10Å | |
| CAB | H98 | sing | 1.09Å | 1.10Å | |
| CAC | H99 | sing | 1.08Å | 1.08Å | |
| CAD | H100 | sing | 1.08Å | 1.08Å | |
| N16 | H101 | sing | 0.97Å | 1.00Å | |
| N35 | H103 | sing | 0.97Å | 1.00Å | |
| N71 | H108 | sing | 0.97Å | 1.00Å | |
| N81 | H109 | sing | 0.97Å | 1.00Å | |
| O99 | H102 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S93 | C92 | N91 | 112.6° | 110.4° |
| C92 | S93 | C88 | 92.5° | 90.3° |
| S93 | C92 | H74 | 123.7° | 124.8° |
| C92 | N91 | C89 | 112.1° | 117.3° |
| N91 | C92 | H74 | 123.7° | 124.8° |
| S93 | C88 | C89 | 107.0° | 107.8° |
| S93 | C88 | C87 | 117.9° | 126.1° |
| N91 | C89 | C88 | 115.9° | 114.3° |
| N91 | C89 | C90 | 119.2° | 122.9° |
| C88 | C89 | C90 | 124.9° | 122.8° |
| C89 | C88 | C87 | 135.1° | 126.2° |
| C89 | C90 | H71 | 109.5° | 109.5° |
| C89 | C90 | H72 | 109.4° | 109.5° |
| C89 | C90 | H73 | 109.5° | 109.5° |
| C88 | C87 | C86 | 126.7° | 120.2° |
| C88 | C87 | C94 | 120.9° | 120.1° |
| C87 | C86 | C85 | 123.5° | 119.9° |
| C86 | C87 | C94 | 112.3° | 119.7° |
| C87 | C86 | H70 | 118.3° | 120.1° |
| C86 | C85 | C84 | 123.0° | 120.1° |
| C86 | C85 | H69 | 118.5° | 119.9° |
| C85 | C86 | H70 | 118.2° | 120.0° |
| C87 | C94 | C95 | 124.2° | 119.8° |
| C87 | C94 | H75 | 117.9° | 120.1° |
| C85 | C84 | C95 | 113.1° | 120.3° |
| C85 | C84 | C82 | 125.3° | 119.9° |
| C84 | C85 | H69 | 118.5° | 120.0° |
| C94 | C95 | C84 | 123.9° | 120.2° |
| C95 | C94 | H75 | 117.9° | 120.1° |
| C94 | C95 | H76 | 118.1° | 119.9° |
| C95 | C84 | C82 | 121.6° | 119.8° |
| C84 | C95 | H76 | 118.1° | 119.9° |
| C84 | C82 | C83 | 108.7° | 109.4° |
| C84 | C82 | N81 | 114.8° | 109.5° |
| C84 | C82 | H65 | 108.0° | 109.5° |
| C83 | C82 | N81 | 107.4° | 109.5° |
| C83 | C82 | H65 | 108.5° | 109.4° |
| C82 | C83 | H66 | 109.5° | 109.4° |
| C82 | C83 | H67 | 109.5° | 109.5° |
| C82 | C83 | H68 | 109.5° | 109.4° |
| C82 | N81 | C80 | 127.7° | 120.0° |
| N81 | C82 | H65 | 109.3° | 109.5° |
| C82 | N81 | H109 | 116.2° | 120.0° |
| OAF | S02 | O01 | 114.7° | 123.1° |
| OAF | S02 | N35 | 110.7° | 106.4° |
| OAF | S02 | C03 | 106.3° | 106.4° |
| O01 | S02 | N35 | 106.7° | 106.4° |
| O01 | S02 | C03 | 109.7° | 106.4° |
| N81 | C80 | O96 | 119.9° | 120.1° |
| N81 | C80 | C79 | 122.6° | 120.0° |
| C80 | N81 | H109 | 116.1° | 120.1° |
| N35 | S02 | C03 | 108.6° | 107.2° |
| S02 | N35 | C36 | 128.3° | 120.0° |
| S02 | N35 | H103 | 115.8° | 120.0° |
| S02 | C03 | C13 | 121.6° | 119.9° |
| S02 | C03 | C04 | 127.5° | 119.9° |
| O96 | C80 | C79 | 117.5° | 120.0° |
| C80 | C79 | C97 | 111.5° | 110.0° |
| C80 | C79 | N78 | 116.9° | 109.9° |
| C80 | C79 | H64 | 107.5° | 109.9° |
| N35 | C36 | OAE | 112.0° | 120.0° |
| N35 | C36 | C37 | 131.2° | 120.0° |
| C36 | N35 | H103 | 115.8° | 120.0° |
| C13 | C03 | C04 | 110.8° | 120.2° |
| C03 | C13 | C14 | 123.5° | 120.1° |
| C03 | C13 | H1 | 118.2° | 119.9° |
| C03 | C04 | C05 | 130.2° | 120.1° |
| C03 | C04 | H9 | 114.9° | 120.0° |
| C13 | C14 | C15 | 123.9° | 119.9° |
| C14 | C13 | H1 | 118.3° | 120.0° |
| C13 | C14 | H10 | 118.1° | 120.1° |
| C79 | C97 | C98 | 106.9° | 102.9° |
| C97 | C79 | N78 | 105.2° | 107.3° |
| C97 | C79 | H64 | 107.3° | 109.8° |
| C79 | C97 | H77 | 110.1° | 110.7° |
| C79 | C97 | H78 | 110.1° | 110.7° |
| C97 | C98 | O99 | 110.1° | 111.0° |
| C97 | C98 | CA0 | 99.2° | 101.6° |
| C98 | C97 | H77 | 110.1° | 110.8° |
| C98 | C97 | H78 | 110.1° | 110.7° |
| C97 | C98 | H79 | 110.8° | 111.0° |
| OAE | C36 | C37 | 116.7° | 120.0° |
| C36 | C37 | C38 | 125.9° | 120.1° |
| C36 | C37 | CAD | 122.0° | 120.1° |
| C79 | N78 | C77 | 125.6° | 125.7° |
| C79 | N78 | CA0 | 106.0° | 108.7° |
| N78 | C79 | H64 | 107.9° | 109.9° |
| C04 | C05 | C15 | 114.5° | 119.9° |
| C04 | C05 | S06 | 127.8° | 120.1° |
| C05 | C04 | H9 | 114.9° | 120.0° |
| F11 | C08 | F10 | 103.5° | 109.5° |
| F11 | C08 | F09 | 104.4° | 109.5° |
| F11 | C08 | S06 | 113.2° | 109.4° |
| F10 | C08 | F09 | 103.7° | 109.5° |
| F10 | C08 | S06 | 113.2° | 109.4° |
| CA8 | C57 | CA9 | 110.5° | 110.0° |
| CA8 | C57 | C58 | 105.8° | 109.6° |
| CA8 | C57 | C56 | 106.4° | 109.6° |
| C57 | CA8 | H90 | 109.5° | 109.4° |
| C57 | CA8 | H91 | 109.5° | 109.5° |
| C57 | CA8 | H92 | 109.5° | 109.4° |
| C37 | C38 | C39 | 124.2° | 120.0° |
| C38 | C37 | CAD | 112.1° | 119.8° |
| C37 | C38 | H24 | 117.9° | 120.0° |
| C38 | C39 | C40 | 124.2° | 120.1° |
| C39 | C38 | H24 | 117.9° | 120.0° |
| C38 | C39 | H25 | 117.9° | 120.0° |
| C37 | CAD | CAC | 123.9° | 120.0° |
| C37 | CAD | H100 | 118.0° | 120.0° |
| C14 | C15 | C05 | 117.0° | 119.9° |
| C14 | C15 | N16 | 122.4° | 120.1° |
| C15 | C14 | H10 | 118.1° | 120.0° |
| OA1 | C77 | N78 | 119.2° | 120.0° |
| OA1 | C77 | C72 | 113.8° | 120.0° |
| F09 | C08 | S06 | 117.4° | 109.4° |
| C08 | S06 | C05 | 107.4° | 104.4° |
| C08 | S06 | O12 | 100.5° | 110.5° |
| C08 | S06 | O07 | 100.9° | 110.5° |
| C15 | C05 | S06 | 117.7° | 120.1° |
| C05 | C15 | N16 | 120.6° | 120.1° |
| C05 | S06 | O12 | 114.2° | 104.3° |
| C05 | S06 | O07 | 118.8° | 104.3° |
| C77 | N78 | CA0 | 128.4° | 125.6° |
| N78 | C77 | C72 | 127.0° | 120.0° |
| N78 | CA0 | C98 | 109.2° | 104.9° |
| N78 | CA0 | H80 | 109.5° | 110.4° |
| N78 | CA0 | H81 | 109.5° | 110.4° |
| O99 | C98 | CA0 | 113.5° | 111.0° |
| O99 | C98 | H79 | 112.5° | 110.9° |
| C98 | O99 | H102 | 109.5° | 114.0° |
| C75 | C73 | C76 | 108.2° | 109.4° |
| C75 | C73 | C72 | 112.4° | 109.5° |
| C75 | C73 | C74 | 109.3° | 109.5° |
| C73 | C75 | H58 | 109.5° | 109.5° |
| C73 | C75 | H59 | 109.5° | 109.5° |
| C73 | C75 | H60 | 109.5° | 109.4° |
| CA0 | C98 | H79 | 109.9° | 111.0° |
| C98 | CA0 | H80 | 109.5° | 110.4° |
| C98 | CA0 | H81 | 109.5° | 110.4° |
| C39 | C40 | CAC | 111.6° | 120.1° |
| C39 | C40 | N41 | 121.3° | 120.0° |
| C40 | C39 | H25 | 117.9° | 119.9° |
| C15 | N16 | C17 | 128.5° | 120.0° |
| C15 | N16 | H101 | 104.6° | 120.0° |
| N44 | C43 | C42 | 115.0° | 109.3° |
| C43 | N44 | CAA | 107.6° | 110.9° |
| C43 | N44 | C45 | 108.0° | 111.0° |
| N44 | C43 | H28 | 108.1° | 109.5° |
| N44 | C43 | H29 | 108.1° | 109.4° |
| C43 | C42 | N41 | 112.6° | 109.4° |
| C43 | C42 | H26 | 108.7° | 109.5° |
| C43 | C42 | H27 | 108.7° | 109.5° |
| C42 | C43 | H28 | 108.1° | 109.5° |
| C42 | C43 | H29 | 108.1° | 109.5° |
| CAD | CAC | C40 | 124.1° | 120.1° |
| CAD | CAC | H99 | 117.9° | 120.0° |
| CAC | CAD | H100 | 118.1° | 120.0° |
| C77 | C72 | C73 | 110.5° | 109.5° |
| C77 | C72 | N71 | 107.1° | 109.5° |
| C77 | C72 | H54 | 106.2° | 109.4° |
| C57 | CA9 | C46 | 118.3° | 110.0° |
| CA9 | C57 | C58 | 115.3° | 109.6° |
| CA9 | C57 | C56 | 109.6° | 108.3° |
| C57 | CA9 | H93 | 107.2° | 109.4° |
| C57 | CA9 | H94 | 107.2° | 109.3° |
| CA9 | C46 | C45 | 113.8° | 118.1° |
| CA9 | C46 | C47 | 118.6° | 123.8° |
| C46 | CA9 | H93 | 107.2° | 109.6° |
| C46 | CA9 | H94 | 107.2° | 109.2° |
| CAA | N44 | C45 | 110.5° | 111.0° |
| N44 | CAA | CAB | 113.2° | 109.3° |
| N44 | CAA | H95 | 108.5° | 109.4° |
| N44 | CAA | H96 | 108.5° | 109.5° |
| N44 | C45 | C46 | 112.4° | 109.5° |
| N44 | C45 | H30 | 108.7° | 109.5° |
| N44 | C45 | H31 | 108.7° | 109.5° |
| C58 | C57 | C56 | 108.7° | 109.7° |
| C57 | C58 | N59 | 113.9° | 109.5° |
| C57 | C58 | H40 | 108.3° | 109.4° |
| C57 | C58 | H41 | 108.4° | 109.4° |
| C57 | C56 | C55 | 115.4° | 108.5° |
| C57 | C56 | H38 | 108.0° | 109.6° |
| C57 | C56 | H39 | 108.0° | 109.8° |
| O12 | S06 | O07 | 112.4° | 121.1° |
| CAA | CAB | N41 | 114.6° | 109.4° |
| CAB | CAA | H95 | 108.5° | 109.5° |
| CAB | CAA | H96 | 108.5° | 109.5° |
| CAA | CAB | H97 | 108.2° | 109.5° |
| CAA | CAB | H98 | 108.2° | 109.5° |
| CAC | C40 | N41 | 127.1° | 119.9° |
| C40 | CAC | H99 | 118.0° | 120.0° |
| C40 | N41 | C42 | 119.9° | 111.0° |
| C40 | N41 | CAB | 121.8° | 111.0° |
| C76 | C73 | C72 | 109.8° | 109.4° |
| C76 | C73 | C74 | 108.9° | 109.5° |
| C73 | C76 | H61 | 109.5° | 109.4° |
| C73 | C76 | H62 | 109.5° | 109.4° |
| C73 | C76 | H63 | 109.5° | 109.5° |
| N16 | C17 | C18 | 103.4° | 109.5° |
| N16 | C17 | C27 | 117.9° | 109.5° |
| N16 | C17 | H2 | 108.7° | 109.5° |
| C17 | N16 | H101 | 104.5° | 120.0° |
| C72 | C73 | C74 | 108.2° | 109.5° |
| C73 | C72 | N71 | 117.9° | 109.5° |
| C73 | C72 | H54 | 106.6° | 109.5° |
| C73 | C74 | H55 | 109.5° | 109.4° |
| C73 | C74 | H56 | 109.5° | 109.5° |
| C73 | C74 | H57 | 109.4° | 109.4° |
| C58 | N59 | CA7 | 109.0° | 111.0° |
| C58 | N59 | C60 | 110.6° | 111.0° |
| N59 | C58 | H40 | 108.4° | 109.5° |
| N59 | C58 | H41 | 108.4° | 109.5° |
| CA7 | CA6 | N62 | 115.8° | 108.5° |
| CA6 | CA7 | N59 | 111.3° | 109.4° |
| CA7 | CA6 | H86 | 107.9° | 109.6° |
| CA7 | CA6 | H87 | 107.9° | 109.6° |
| CA6 | CA7 | H88 | 109.0° | 109.5° |
| CA6 | CA7 | H89 | 109.0° | 109.5° |
| CA6 | N62 | C63 | 126.4° | 120.9° |
| CA6 | N62 | C61 | 110.2° | 118.3° |
| N62 | CA6 | H86 | 107.9° | 109.7° |
| N62 | CA6 | H87 | 107.9° | 109.6° |
| CA7 | N59 | C60 | 107.2° | 111.3° |
| N59 | CA7 | H88 | 109.0° | 109.5° |
| N59 | CA7 | H89 | 109.0° | 109.4° |
| C56 | C55 | C47 | 117.1° | 110.2° |
| C56 | C55 | H36 | 107.5° | 109.4° |
| C56 | C55 | H37 | 107.6° | 109.3° |
| C55 | C56 | H38 | 108.0° | 109.7° |
| C55 | C56 | H39 | 107.9° | 109.7° |
| C42 | N41 | CAB | 107.4° | 110.8° |
| N41 | C42 | H26 | 108.7° | 109.5° |
| N41 | C42 | H27 | 108.7° | 109.5° |
| OA5 | C63 | N62 | 120.8° | 120.0° |
| OA5 | C63 | C64 | 119.3° | 120.0° |
| N41 | CAB | H97 | 108.2° | 109.5° |
| N41 | CAB | H98 | 108.2° | 109.4° |
| C72 | N71 | C70 | 128.9° | 120.0° |
| N71 | C72 | H54 | 107.9° | 109.5° |
| C72 | N71 | H108 | 115.6° | 120.0° |
| C18 | C17 | C27 | 110.5° | 109.4° |
| C17 | C18 | C19 | 112.4° | 109.5° |
| C18 | C17 | H2 | 108.4° | 109.5° |
| C17 | C18 | H11 | 108.8° | 109.5° |
| C17 | C18 | H12 | 108.8° | 109.5° |
| C17 | C27 | S28 | 116.8° | 109.5° |
| C27 | C17 | H2 | 107.7° | 109.4° |
| C17 | C27 | H17 | 107.6° | 109.5° |
| C17 | C27 | H18 | 107.6° | 109.5° |
| C45 | C46 | C47 | 127.5° | 118.1° |
| C46 | C45 | H30 | 108.7° | 109.4° |
| C46 | C45 | H31 | 108.7° | 109.5° |
| C46 | C47 | C55 | 111.6° | 123.9° |
| C46 | C47 | C48 | 129.0° | 118.0° |
| N59 | C60 | C61 | 112.7° | 109.3° |
| N59 | C60 | H42 | 108.7° | 109.5° |
| N59 | C60 | H43 | 108.7° | 109.5° |
| C55 | C47 | C48 | 117.6° | 118.1° |
| C47 | C55 | H36 | 107.5° | 109.4° |
| C47 | C55 | H37 | 107.5° | 109.3° |
| C33 | C32 | C31 | 118.7° | 120.1° |
| C32 | C33 | C34 | 120.9° | 120.1° |
| C33 | C32 | H21 | 120.6° | 119.9° |
| C32 | C33 | H22 | 119.5° | 120.0° |
| C32 | C31 | C30 | 120.3° | 120.1° |
| C32 | C31 | H20 | 119.9° | 120.0° |
| C31 | C32 | H21 | 120.7° | 119.9° |
| C33 | C34 | C29 | 120.5° | 119.9° |
| C34 | C33 | H22 | 119.5° | 119.9° |
| C33 | C34 | H23 | 119.7° | 120.0° |
| C18 | C19 | N20 | 98.0° | 109.5° |
| C19 | C18 | H11 | 108.7° | 109.4° |
| C19 | C18 | H12 | 108.7° | 109.5° |
| C18 | C19 | H13 | 112.3° | 109.4° |
| C18 | C19 | H14 | 112.3° | 109.5° |
| N71 | C70 | OA2 | 120.2° | 120.0° |
| N71 | C70 | C69 | 120.1° | 120.0° |
| C70 | N71 | H108 | 115.6° | 120.0° |
| C63 | N62 | C61 | 123.4° | 120.9° |
| N62 | C63 | C64 | 119.8° | 120.0° |
| N62 | C61 | C60 | 117.4° | 108.5° |
| N62 | C61 | H44 | 107.5° | 109.6° |
| N62 | C61 | H45 | 107.4° | 109.8° |
| C63 | C64 | N65 | 116.0° | 109.5° |
| C63 | C64 | H46 | 107.8° | 109.5° |
| C63 | C64 | H47 | 107.8° | 109.5° |
| C31 | C30 | C29 | 121.3° | 119.9° |
| C31 | C30 | H19 | 119.4° | 120.1° |
| C30 | C31 | H20 | 119.8° | 119.9° |
| C47 | C48 | C54 | 130.6° | 120.1° |
| C47 | C48 | C49 | 117.9° | 120.1° |
| C27 | S28 | C29 | 119.2° | 103.0° |
| S28 | C27 | H17 | 107.6° | 109.4° |
| S28 | C27 | H18 | 107.7° | 109.4° |
| C34 | C29 | C30 | 118.2° | 119.9° |
| C34 | C29 | S28 | 121.3° | 120.1° |
| C29 | C34 | H23 | 119.7° | 120.1° |
| C30 | C29 | S28 | 120.5° | 120.1° |
| C29 | C30 | H19 | 119.3° | 120.0° |
| C26 | N20 | C19 | 110.9° | 111.0° |
| C26 | N20 | C21 | 101.1° | 105.6° |
| N20 | C26 | C24 | 106.5° | 104.7° |
| N20 | C26 | H7 | 110.2° | 110.0° |
| N20 | C26 | H8 | 110.2° | 111.1° |
| C19 | N20 | C21 | 95.4° | 110.7° |
| N20 | C19 | H13 | 112.3° | 109.5° |
| N20 | C19 | H14 | 112.3° | 109.5° |
| N20 | C21 | C25 | 100.0° | 101.8° |
| N20 | C21 | C22 | 106.6° | 103.7° |
| N20 | C21 | H3 | 117.1° | 116.4° |
| C26 | C24 | C25 | 100.6° | 99.6° |
| C26 | C24 | O23 | 106.1° | 103.5° |
| C26 | C24 | H6 | 114.1° | 117.4° |
| C24 | C26 | H7 | 110.2° | 110.3° |
| C24 | C26 | H8 | 110.2° | 110.4° |
| C61 | C60 | H42 | 108.7° | 109.5° |
| C61 | C60 | H43 | 108.7° | 109.5° |
| C60 | C61 | H44 | 107.5° | 109.6° |
| C60 | C61 | H45 | 107.4° | 109.6° |
| OA2 | C70 | C69 | 119.7° | 120.0° |
| C70 | C69 | N68 | 113.2° | 109.5° |
| C70 | C69 | H52 | 108.5° | 109.5° |
| C70 | C69 | H53 | 108.5° | 109.5° |
| CA3 | CA4 | N65 | 113.7° | 109.3° |
| CA4 | CA3 | N68 | 112.0° | 109.4° |
| CA4 | CA3 | H82 | 108.8° | 109.5° |
| CA4 | CA3 | H83 | 108.9° | 109.5° |
| CA3 | CA4 | H84 | 108.4° | 109.5° |
| CA3 | CA4 | H85 | 108.4° | 109.5° |
| CA4 | N65 | C64 | 112.9° | 111.0° |
| CA4 | N65 | C66 | 111.1° | 110.9° |
| N65 | CA4 | H84 | 108.4° | 109.5° |
| N65 | CA4 | H85 | 108.4° | 109.4° |
| CA3 | N68 | C67 | 110.9° | 110.9° |
| CA3 | N68 | C69 | 108.9° | 111.1° |
| N68 | CA3 | H82 | 108.9° | 109.5° |
| N68 | CA3 | H83 | 108.8° | 109.5° |
| C67 | N68 | C69 | 110.8° | 111.0° |
| N68 | C67 | C66 | 115.9° | 109.3° |
| N68 | C67 | H50 | 107.9° | 109.5° |
| N68 | C67 | H51 | 107.9° | 109.5° |
| N68 | C69 | H52 | 108.5° | 109.4° |
| N68 | C69 | H53 | 108.5° | 109.5° |
| C64 | N65 | C66 | 114.0° | 111.0° |
| N65 | C64 | H46 | 107.8° | 109.5° |
| N65 | C64 | H47 | 107.8° | 109.5° |
| C54 | C48 | C49 | 111.5° | 119.8° |
| C48 | C54 | C53 | 124.9° | 119.8° |
| C48 | C54 | H35 | 117.6° | 120.1° |
| C48 | C49 | C50 | 125.5° | 119.9° |
| C48 | C49 | H32 | 117.3° | 120.0° |
| C67 | C66 | N65 | 114.6° | 109.4° |
| C67 | C66 | H48 | 108.2° | 109.4° |
| C67 | C66 | H49 | 108.2° | 109.5° |
| C66 | C67 | H50 | 107.8° | 109.5° |
| C66 | C67 | H51 | 107.8° | 109.5° |
| N65 | C66 | H48 | 108.2° | 109.5° |
| N65 | C66 | H49 | 108.1° | 109.5° |
| C54 | C53 | C51 | 119.1° | 120.2° |
| C54 | C53 | H34 | 120.5° | 119.9° |
| C53 | C54 | H35 | 117.5° | 120.1° |
| C25 | C24 | O23 | 104.5° | 101.3° |
| C24 | C25 | C21 | 92.5° | 93.7° |
| C25 | C24 | H6 | 113.9° | 116.4° |
| C24 | C25 | H15 | 113.5° | 112.5° |
| C24 | C25 | H16 | 113.5° | 112.4° |
| C24 | O23 | C22 | 102.6° | 107.3° |
| O23 | C24 | H6 | 116.1° | 116.1° |
| C25 | C21 | C22 | 97.6° | 98.9° |
| C25 | C21 | H3 | 116.1° | 116.8° |
| C21 | C25 | H15 | 113.5° | 112.4° |
| C21 | C25 | H16 | 113.5° | 112.5° |
| C21 | C22 | O23 | 109.0° | 105.4° |
| C22 | C21 | H3 | 116.5° | 116.5° |
| C21 | C22 | H4 | 109.6° | 110.2° |
| C21 | C22 | H5 | 109.6° | 110.2° |
| C49 | C50 | C51 | 119.5° | 120.1° |
| C50 | C49 | H32 | 117.3° | 120.1° |
| C49 | C50 | H33 | 120.2° | 120.0° |
| C53 | C51 | C50 | 119.5° | 120.3° |
| C53 | C51 | CL52 | 120.2° | 119.9° |
| C51 | C53 | H34 | 120.4° | 119.9° |
| O23 | C22 | H4 | 109.6° | 110.3° |
| O23 | C22 | H5 | 109.6° | 110.4° |
| C50 | C51 | CL52 | 120.4° | 119.8° |
| C51 | C50 | H33 | 120.3° | 119.9° |
| H4 | C22 | H5 | 109.5° | 110.2° |
| H7 | C26 | H8 | 109.4° | 110.2° |
| H11 | C18 | H12 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.4° | 109.5° |
| H15 | C25 | H16 | 109.5° | 112.1° |
| H17 | C27 | H18 | 109.4° | 109.5° |
| H26 | C42 | H27 | 109.5° | 109.5° |
| H28 | C43 | H29 | 109.5° | 109.5° |
| H30 | C45 | H31 | 109.4° | 109.5° |
| H36 | C55 | H37 | 109.4° | 109.3° |
| H38 | C56 | H39 | 109.5° | 109.6° |
| H40 | C58 | H41 | 109.5° | 109.5° |
| H42 | C60 | H43 | 109.5° | 109.5° |
| H44 | C61 | H45 | 109.5° | 109.6° |
| H46 | C64 | H47 | 109.4° | 109.5° |
| H48 | C66 | H49 | 109.5° | 109.5° |
| H50 | C67 | H51 | 109.5° | 109.5° |
| H52 | C69 | H53 | 109.5° | 109.5° |
| H55 | C74 | H56 | 109.5° | 109.5° |
| H55 | C74 | H57 | 109.5° | 109.5° |
| H56 | C74 | H57 | 109.4° | 109.5° |
| H58 | C75 | H59 | 109.5° | 109.5° |
| H58 | C75 | H60 | 109.4° | 109.5° |
| H59 | C75 | H60 | 109.5° | 109.5° |
| H61 | C76 | H62 | 109.5° | 109.4° |
| H61 | C76 | H63 | 109.4° | 109.5° |
| H62 | C76 | H63 | 109.5° | 109.5° |
| H66 | C83 | H67 | 109.5° | 109.5° |
| H66 | C83 | H68 | 109.4° | 109.5° |
| H67 | C83 | H68 | 109.5° | 109.5° |
| H71 | C90 | H72 | 109.5° | 109.5° |
| H71 | C90 | H73 | 109.5° | 109.5° |
| H72 | C90 | H73 | 109.5° | 109.5° |
| H77 | C97 | H78 | 109.5° | 110.8° |
| H80 | CA0 | H81 | 109.5° | 110.3° |
| H82 | CA3 | H83 | 109.4° | 109.4° |
| H84 | CA4 | H85 | 109.5° | 109.5° |
| H86 | CA6 | H87 | 109.5° | 109.8° |
| H88 | CA7 | H89 | 109.5° | 109.5° |
| H90 | CA8 | H91 | 109.4° | 109.5° |
| H90 | CA8 | H92 | 109.5° | 109.5° |
| H91 | CA8 | H92 | 109.5° | 109.5° |
| H93 | CA9 | H94 | 109.5° | 109.3° |
| H95 | CAA | H96 | 109.5° | 109.5° |
| H97 | CAB | H98 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S93 | C92 | N91 | H74 | 180.0° | 179.7° |
| S93 | C92 | N91 | C89 | 0.1° | 0.2° |
| C92 | S93 | C88 | C89 | 0.2° | 0.3° |
| C92 | S93 | C88 | C87 | 179.7° | 180.0° |
| N91 | C92 | S93 | C88 | 0.2° | 0.3° |
| C92 | N91 | C89 | C88 | 0.1° | 0.0° |
| C92 | N91 | C89 | C90 | 180.0° | 180.0° |
| S93 | C88 | C89 | N91 | 0.2° | 0.3° |
| S93 | C88 | C89 | C87 | 179.3° | 179.6° |
| S93 | C88 | C89 | C90 | 179.9° | 179.7° |
| S93 | C88 | C87 | C86 | 47.4° | 47.8° |
| S93 | C88 | C87 | C94 | 132.7° | 132.3° |
| C88 | S93 | C92 | H74 | 179.9° | 179.9° |
| N91 | C89 | C88 | C90 | 179.9° | 180.0° |
| N91 | C89 | C88 | C87 | 179.5° | 179.9° |
| N91 | C89 | C90 | H71 | 0.0° | 95.2° |
| N91 | C89 | C90 | H72 | 120.0° | 24.8° |
| N91 | C89 | C90 | H73 | 120.0° | 144.8° |
| C89 | N91 | C92 | H74 | 180.0° | 180.0° |
| C89 | C88 | C87 | C86 | 133.4° | 132.6° |
| C89 | C88 | C87 | C94 | 46.6° | 47.3° |
| C88 | C89 | C90 | H71 | 179.9° | 84.8° |
| C88 | C89 | C90 | H72 | 60.1° | 155.2° |
| C88 | C89 | C90 | H73 | 59.9° | 35.2° |
| C90 | C89 | C88 | C87 | 0.6° | 0.1° |
| C89 | C90 | H71 | H72 | 120.0° | 120.0° |
| C89 | C90 | H71 | H73 | 120.0° | 120.0° |
| C89 | C90 | H72 | H73 | 120.0° | 120.0° |
| C88 | C87 | C86 | C94 | 179.9° | 179.9° |
| C88 | C87 | C86 | C85 | 180.0° | 179.9° |
| C88 | C87 | C94 | C95 | 180.0° | 180.0° |
| C88 | C87 | C86 | H70 | 0.0° | 0.1° |
| C88 | C87 | C94 | H75 | 0.0° | 0.2° |
| C87 | C86 | C85 | H70 | 180.0° | 180.0° |
| C87 | C86 | C85 | C84 | 0.1° | 0.0° |
| C86 | C87 | C94 | C95 | 0.1° | 0.1° |
| C87 | C86 | C85 | H69 | 179.9° | 180.0° |
| C86 | C87 | C94 | H75 | 180.0° | 180.0° |
| C85 | C86 | C87 | C94 | 0.1° | 0.0° |
| C86 | C85 | C84 | H69 | 180.0° | 180.0° |
| C86 | C85 | C84 | C95 | 0.2° | 0.0° |
| C86 | C85 | C84 | C82 | 179.8° | 179.7° |
| C87 | C94 | C95 | H75 | 180.0° | 179.9° |
| C87 | C94 | C95 | C84 | 0.1° | 0.1° |
| C94 | C87 | C86 | H70 | 179.9° | 180.0° |
| C87 | C94 | C95 | H76 | 179.9° | 179.8° |
| C85 | C84 | C95 | C94 | 0.2° | 0.0° |
| C85 | C84 | C95 | C82 | 179.6° | 179.7° |
| C85 | C84 | C82 | C83 | 80.8° | 80.3° |
| C85 | C84 | C82 | N81 | 159.0° | 39.7° |
| C85 | C84 | C82 | H65 | 36.8° | 159.8° |
| C84 | C85 | C86 | H70 | 179.9° | 180.0° |
| C85 | C84 | C95 | H76 | 179.8° | 179.7° |
| C94 | C95 | C84 | H76 | 180.0° | 179.7° |
| C94 | C95 | C84 | C82 | 179.8° | 179.7° |
| C95 | C84 | C82 | C83 | 99.6° | 100.0° |
| C95 | C84 | C82 | N81 | 20.6° | 140.0° |
| C95 | C84 | C82 | H65 | 142.8° | 19.9° |
| C95 | C84 | C85 | H69 | 179.8° | 180.0° |
| C84 | C95 | C94 | H75 | 179.9° | 179.9° |
| C84 | C82 | C83 | N81 | 124.7° | 120.0° |
| C84 | C82 | C83 | H65 | 117.2° | 120.0° |
| C84 | C82 | N81 | H65 | 121.5° | 120.0° |
| C84 | C82 | N81 | C80 | 77.0° | 155.0° |
| C84 | C82 | C83 | H66 | 180.0° | 60.0° |
| C84 | C82 | C83 | H67 | 60.0° | 60.0° |
| C84 | C82 | C83 | H68 | 60.0° | 180.0° |
| C82 | C84 | C85 | H69 | 0.2° | 0.3° |
| C82 | C84 | C95 | H76 | 0.2° | 0.0° |
| C84 | C82 | N81 | H109 | 103.0° | 25.0° |
| C83 | C82 | N81 | H65 | 117.6° | 120.0° |
| C83 | C82 | N81 | C80 | 162.1° | 85.0° |
| C82 | C83 | H66 | H67 | 120.0° | 120.0° |
| C82 | C83 | H66 | H68 | 120.0° | 119.9° |
| C82 | C83 | H67 | H68 | 120.0° | 120.0° |
| C83 | C82 | N81 | H109 | 17.9° | 95.0° |
| C82 | N81 | C80 | H109 | 180.0° | 180.0° |
| C82 | N81 | C80 | O96 | 0.9° | 0.0° |
| C82 | N81 | C80 | C79 | 178.6° | 180.0° |
| N81 | C82 | C83 | H66 | 55.3° | 60.0° |
| N81 | C82 | C83 | H67 | 64.7° | 180.0° |
| N81 | C82 | C83 | H68 | 175.3° | 60.0° |
| OAF | S02 | O01 | N35 | 123.0° | 122.9° |
| OAF | S02 | O01 | C03 | 119.6° | 123.0° |
| OAF | S02 | N35 | C03 | 116.3° | 113.6° |
| OAF | S02 | N35 | C36 | 86.6° | 178.6° |
| OAF | S02 | C03 | C13 | 27.1° | 23.5° |
| OAF | S02 | C03 | C04 | 155.2° | 156.4° |
| OAF | S02 | N35 | H103 | 93.4° | 1.4° |
| O01 | S02 | N35 | C03 | 118.2° | 113.6° |
| O01 | S02 | N35 | C36 | 147.9° | 48.6° |
| O01 | S02 | C03 | C13 | 151.7° | 156.5° |
| O01 | S02 | C03 | C04 | 30.6° | 23.5° |
| O01 | S02 | N35 | H103 | 32.1° | 131.4° |
| N81 | C80 | O96 | C79 | 179.5° | 180.0° |
| N81 | C80 | C79 | C97 | 107.1° | 62.1° |
| N81 | C80 | C79 | N78 | 131.8° | 180.0° |
| N81 | C80 | C79 | H64 | 10.4° | 59.0° |
| C80 | N81 | C82 | H65 | 44.5° | 35.0° |
| S02 | N35 | C36 | H103 | 180.0° | 180.0° |
| N35 | S02 | C03 | C13 | 92.0° | 90.0° |
| N35 | S02 | C03 | C04 | 85.7° | 90.0° |
| S02 | N35 | C36 | OAE | 0.1° | 0.0° |
| S02 | N35 | C36 | C37 | 178.6° | 180.0° |
| C03 | S02 | N35 | C36 | 29.8° | 65.0° |
| S02 | C03 | C13 | C04 | 178.1° | 180.0° |
| S02 | C03 | C13 | C14 | 179.2° | 180.0° |
| S02 | C03 | C04 | C05 | 179.0° | 180.0° |
| S02 | C03 | C13 | H1 | 0.8° | 0.3° |
| S02 | C03 | C04 | H9 | 1.0° | 0.1° |
| C03 | S02 | N35 | H103 | 150.3° | 115.0° |
| O96 | C80 | C79 | C97 | 72.5° | 117.9° |
| O96 | C80 | C79 | N78 | 48.6° | 0.0° |
| O96 | C80 | C79 | H64 | 170.1° | 121.0° |
| O96 | C80 | N81 | H109 | 179.1° | 180.0° |
| C80 | C79 | C97 | N78 | 127.7° | 119.5° |
| C80 | C79 | C97 | H64 | 117.5° | 121.1° |
| C80 | C79 | C97 | C98 | 157.5° | 141.7° |
| C80 | C79 | N78 | H64 | 121.2° | 121.1° |
| C80 | C79 | N78 | C77 | 47.4° | 61.5° |
| C80 | C79 | N78 | CA0 | 133.3° | 118.5° |
| C80 | C79 | C97 | H77 | 37.9° | 23.3° |
| C80 | C79 | C97 | H78 | 82.9° | 100.0° |
| C79 | C80 | N81 | H109 | 1.4° | 0.0° |
| N35 | C36 | OAE | C37 | 178.8° | 180.0° |
| N35 | C36 | C37 | C38 | 23.8° | 0.2° |
| N35 | C36 | C37 | CAD | 158.5° | 180.0° |
| C03 | C13 | C14 | H1 | 180.0° | 179.7° |
| C13 | C03 | C04 | C05 | 1.0° | 0.0° |
| C03 | C13 | C14 | C15 | 0.7° | 0.0° |
| C13 | C03 | C04 | H9 | 178.9° | 180.0° |
| C03 | C13 | C14 | H10 | 179.3° | 179.7° |
| C04 | C03 | C13 | C14 | 1.1° | 0.1° |
| C03 | C04 | C05 | H9 | 180.0° | 180.0° |
| C03 | C04 | C05 | C15 | 0.4° | 0.0° |
| C03 | C04 | C05 | S06 | 179.2° | 180.0° |
| C04 | C03 | C13 | H1 | 178.9° | 179.7° |
| C13 | C14 | C15 | H10 | 180.0° | 179.8° |
| C13 | C14 | C15 | C05 | 0.1° | 0.0° |
| C13 | C14 | C15 | N16 | 179.9° | 180.0° |
| C79 | C97 | C98 | H77 | 119.6° | 118.3° |
| C79 | C97 | C98 | H78 | 119.6° | 118.4° |
| C97 | C79 | N78 | H64 | 114.4° | 119.4° |
| C97 | C79 | N78 | C77 | 171.8° | 178.9° |
| C97 | C79 | N78 | CA0 | 8.9° | 1.1° |
| C79 | C97 | C98 | O99 | 155.5° | 153.6° |
| C79 | C97 | C98 | CA0 | 36.2° | 35.5° |
| C79 | C97 | H77 | H78 | 121.2° | 123.2° |
| C79 | C97 | C98 | H79 | 79.4° | 82.6° |
| C98 | C97 | C79 | N78 | 29.8° | 22.2° |
| C97 | C98 | CA0 | N78 | 31.3° | 37.0° |
| C97 | C98 | O99 | CA0 | 110.2° | 112.2° |
| C97 | C98 | O99 | H79 | 124.2° | 123.9° |
| C97 | C98 | CA0 | H79 | 116.3° | 118.1° |
| C98 | C97 | C79 | H64 | 85.0° | 97.2° |
| C98 | C97 | H77 | H78 | 121.2° | 123.3° |
| C97 | C98 | CA0 | H80 | 151.3° | 81.8° |
| C97 | C98 | CA0 | H81 | 88.6° | 156.0° |
| C97 | C98 | O99 | H102 | 180.0° | 180.0° |
| OAE | C36 | C37 | C38 | 154.7° | 179.8° |
| OAE | C36 | C37 | CAD | 23.0° | 0.0° |
| OAE | C36 | N35 | H103 | 180.0° | 180.0° |
| C36 | C37 | C38 | CAD | 177.9° | 179.8° |
| C36 | C37 | C38 | C39 | 179.0° | 180.0° |
| C36 | C37 | CAD | CAC | 179.1° | 179.7° |
| C36 | C37 | C38 | H24 | 1.0° | 0.0° |
| C36 | C37 | CAD | H100 | 0.9° | 0.0° |
| C37 | C36 | N35 | H103 | 1.4° | 0.0° |
| C79 | N78 | C77 | OA1 | 0.1° | 4.4° |
| C79 | N78 | C77 | CA0 | 179.2° | 179.9° |
| C79 | N78 | CA0 | C98 | 14.0° | 24.1° |
| C79 | N78 | C77 | C72 | 179.1° | 175.7° |
| N78 | C79 | C97 | H77 | 89.8° | 96.2° |
| N78 | C79 | C97 | H78 | 149.4° | 140.5° |
| C79 | N78 | CA0 | H80 | 134.0° | 94.8° |
| C79 | N78 | CA0 | H81 | 105.9° | 143.0° |
| C04 | C05 | C15 | C14 | 0.3° | 0.0° |
| C04 | C05 | S06 | C08 | 88.7° | 115.0° |
| C04 | C05 | C15 | S06 | 179.6° | 180.0° |
| C04 | C05 | C15 | N16 | 179.9° | 180.0° |
| C04 | C05 | S06 | O12 | 21.7° | 1.0° |
| C04 | C05 | S06 | O07 | 157.9° | 128.9° |
| F11 | C08 | F10 | F09 | 108.7° | 120.0° |
| F11 | C08 | F10 | S06 | 123.0° | 120.0° |
| F11 | C08 | F09 | S06 | 126.2° | 120.0° |
| F11 | C08 | S06 | C05 | 94.5° | 180.0° |
| F11 | C08 | S06 | O12 | 25.1° | 68.4° |
| F11 | C08 | S06 | O07 | 140.5° | 68.4° |
| F10 | C08 | F09 | S06 | 125.7° | 120.0° |
| F10 | C08 | S06 | C05 | 23.0° | 60.0° |
| F10 | C08 | S06 | O12 | 142.6° | 51.6° |
| F10 | C08 | S06 | O07 | 102.0° | 171.6° |
| CA8 | C57 | CA9 | C58 | 119.9° | 120.5° |
| CA8 | C57 | CA9 | C56 | 117.0° | 119.8° |
| CA8 | C57 | CA9 | C46 | 161.0° | 69.8° |
| CA8 | C57 | C58 | C56 | 114.0° | 120.4° |
| CA8 | C57 | C58 | N59 | 83.0° | 57.4° |
| CA8 | C57 | C56 | C55 | 127.2° | 52.0° |
| CA8 | C57 | C56 | H38 | 111.9° | 67.7° |
| CA8 | C57 | C56 | H39 | 6.4° | 171.8° |
| CA8 | C57 | C58 | H40 | 156.3° | 62.6° |
| CA8 | C57 | C58 | H41 | 37.6° | 177.4° |
| C57 | CA8 | H90 | H91 | 120.0° | 120.0° |
| C57 | CA8 | H90 | H92 | 120.0° | 120.0° |
| C57 | CA8 | H91 | H92 | 120.0° | 120.0° |
| CA8 | C57 | CA9 | H93 | 39.7° | 169.8° |
| CA8 | C57 | CA9 | H94 | 77.8° | 50.2° |
| C37 | C38 | C39 | H24 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.7° | 0.1° |
| C38 | C37 | CAD | CAC | 1.1° | 0.5° |
| C37 | C38 | C39 | H25 | 179.3° | 180.0° |
| C38 | C37 | CAD | H100 | 178.9° | 179.8° |
| C39 | C38 | C37 | CAD | 1.0° | 0.2° |
| C38 | C39 | C40 | H25 | 180.0° | 179.9° |
| C38 | C39 | C40 | CAC | 0.3° | 0.0° |
| C38 | C39 | C40 | N41 | 179.7° | 179.9° |
| C37 | CAD | CAC | H100 | 180.0° | 179.7° |
| C37 | CAD | CAC | C40 | 0.8° | 0.6° |
| CAD | C37 | C38 | H24 | 178.9° | 179.7° |
| C37 | CAD | CAC | H99 | 179.2° | 179.7° |
| C14 | C15 | C05 | N16 | 179.8° | 180.0° |
| C14 | C15 | C05 | S06 | 179.9° | 180.0° |
| C14 | C15 | N16 | C17 | 2.0° | 6.2° |
| C15 | C14 | C13 | H1 | 179.4° | 179.7° |
| C14 | C15 | N16 | H101 | 120.5° | 173.8° |
| OA1 | C77 | N78 | C72 | 179.2° | 179.9° |
| OA1 | C77 | N78 | CA0 | 179.3° | 175.7° |
| OA1 | C77 | C72 | C73 | 71.6° | 85.1° |
| OA1 | C77 | C72 | N71 | 58.0° | 34.9° |
| OA1 | C77 | C72 | H54 | 173.2° | 154.9° |
| F09 | C08 | S06 | C05 | 143.8° | 60.0° |
| F09 | C08 | S06 | O12 | 96.6° | 171.6° |
| F09 | C08 | S06 | O07 | 18.8° | 51.6° |
| C08 | S06 | C05 | C15 | 90.8° | 65.0° |
| C08 | S06 | C05 | O12 | 110.4° | 116.0° |
| C08 | S06 | C05 | O07 | 113.4° | 116.1° |
| C08 | S06 | O12 | O07 | 106.4° | 131.5° |
| C15 | C05 | S06 | O12 | 158.7° | 179.0° |
| C15 | C05 | S06 | O07 | 22.5° | 51.1° |
| C05 | C15 | N16 | C17 | 178.2° | 173.8° |
| C15 | C05 | C04 | H9 | 179.6° | 180.0° |
| C05 | C15 | C14 | H10 | 179.9° | 179.8° |
| C05 | C15 | N16 | H101 | 59.3° | 6.2° |
| S06 | C05 | C15 | N16 | 0.3° | 0.0° |
| C05 | S06 | O12 | O07 | 139.0° | 116.8° |
| S06 | C05 | C04 | H9 | 0.8° | 0.0° |
| C77 | N78 | CA0 | C98 | 165.3° | 155.8° |
| N78 | C77 | C72 | C73 | 109.2° | 94.9° |
| N78 | C77 | C72 | N71 | 121.2° | 145.1° |
| N78 | C77 | C72 | H54 | 6.0° | 25.1° |
| C77 | N78 | C79 | H64 | 73.9° | 59.5° |
| C77 | N78 | CA0 | H80 | 45.4° | 85.3° |
| C77 | N78 | CA0 | H81 | 74.8° | 36.9° |
| N78 | CA0 | C98 | O99 | 148.1° | 155.1° |
| N78 | CA0 | C98 | H80 | 119.9° | 118.9° |
| N78 | CA0 | C98 | H81 | 119.9° | 118.9° |
| CA0 | N78 | C77 | C72 | 0.1° | 4.3° |
| CA0 | N78 | C79 | H64 | 105.5° | 120.4° |
| N78 | CA0 | C98 | H79 | 84.9° | 81.1° |
| N78 | CA0 | H80 | H81 | 120.1° | 122.3° |
| O99 | C98 | CA0 | H79 | 126.9° | 123.8° |
| O99 | C98 | C97 | H77 | 35.9° | 35.2° |
| O99 | C98 | C97 | H78 | 84.9° | 88.1° |
| O99 | C98 | CA0 | H80 | 92.0° | 36.2° |
| O99 | C98 | CA0 | H81 | 28.2° | 86.0° |
| C75 | C73 | C72 | C77 | 30.8° | 59.7° |
| C75 | C73 | C76 | C72 | 123.0° | 120.0° |
| C75 | C73 | C76 | C74 | 118.7° | 120.0° |
| C75 | C73 | C72 | C74 | 120.8° | 120.0° |
| C75 | C73 | C72 | N71 | 154.4° | 179.7° |
| C75 | C73 | C72 | H54 | 84.2° | 60.2° |
| C75 | C73 | C74 | H55 | 180.0° | 60.1° |
| C75 | C73 | C74 | H56 | 60.0° | 60.0° |
| C75 | C73 | C74 | H57 | 60.0° | 180.0° |
| C73 | C75 | H58 | H59 | 120.0° | 120.0° |
| C73 | C75 | H58 | H60 | 120.0° | 120.0° |
| C73 | C75 | H59 | H60 | 120.0° | 119.9° |
| C75 | C73 | C76 | H61 | 180.0° | 180.0° |
| C75 | C73 | C76 | H62 | 60.0° | 60.0° |
| C75 | C73 | C76 | H63 | 60.0° | 60.0° |
| CA0 | C98 | C97 | H77 | 83.4° | 82.8° |
| CA0 | C98 | C97 | H78 | 155.8° | 153.8° |
| C98 | CA0 | H80 | H81 | 120.1° | 122.2° |
| CA0 | C98 | O99 | H102 | 69.8° | 67.8° |
| C39 | C40 | CAC | CAD | 0.3° | 0.3° |
| C39 | C40 | CAC | N41 | 180.0° | 180.0° |
| C39 | C40 | N41 | C42 | 1.2° | 180.0° |
| C39 | C40 | N41 | CAB | 140.9° | 56.2° |
| C40 | C39 | C38 | H24 | 179.3° | 180.0° |
| C39 | C40 | CAC | H99 | 179.7° | 179.9° |
| C15 | N16 | C17 | H101 | 122.5° | 180.0° |
| C15 | N16 | C17 | C18 | 160.6° | 112.9° |
| C15 | N16 | C17 | C27 | 77.2° | 127.1° |
| C15 | N16 | C17 | H2 | 45.6° | 7.1° |
| N16 | C15 | C14 | H10 | 0.1° | 0.2° |
| N44 | C43 | C42 | H28 | 120.8° | 120.0° |
| N44 | C43 | C42 | H29 | 120.8° | 119.9° |
| C43 | N44 | CAA | C45 | 117.7° | 123.9° |
| C43 | N44 | CAA | CAB | 53.4° | 59.3° |
| N44 | C43 | C42 | N41 | 58.0° | 58.4° |
| C43 | N44 | C45 | C46 | 55.2° | 165.0° |
| N44 | C43 | C42 | H26 | 62.4° | 178.3° |
| N44 | C43 | C42 | H27 | 178.5° | 61.6° |
| N44 | C43 | H28 | H29 | 117.5° | 120.0° |
| C43 | N44 | C45 | H30 | 65.3° | 75.1° |
| C43 | N44 | C45 | H31 | 175.6° | 45.0° |
| C43 | N44 | CAA | H95 | 67.1° | 60.7° |
| C43 | N44 | CAA | H96 | 174.0° | 179.3° |
| C42 | C43 | N44 | CAA | 56.4° | 59.3° |
| C42 | C43 | N44 | C45 | 62.9° | 176.8° |
| C43 | C42 | N41 | C40 | 93.6° | 176.8° |
| C43 | C42 | N41 | H26 | 120.4° | 119.9° |
| C43 | C42 | N41 | H27 | 120.5° | 120.0° |
| C43 | C42 | N41 | CAB | 51.2° | 59.4° |
| C43 | C42 | H26 | H27 | 118.6° | 120.1° |
| C42 | C43 | H28 | H29 | 117.5° | 120.1° |
| CAD | CAC | C40 | H99 | 180.0° | 179.8° |
| CAD | CAC | C40 | N41 | 179.7° | 179.7° |
| C77 | C72 | C73 | C76 | 89.6° | 179.7° |
| C77 | C72 | C73 | N71 | 123.6° | 120.0° |
| C77 | C72 | C73 | H54 | 115.0° | 120.0° |
| C77 | C72 | C73 | C74 | 151.7° | 60.3° |
| C77 | C72 | N71 | H54 | 114.0° | 120.0° |
| C77 | C72 | N71 | C70 | 97.8° | 154.9° |
| C77 | C72 | N71 | H108 | 82.1° | 24.9° |
| C57 | CA9 | C46 | H93 | 121.3° | 120.3° |
| C57 | CA9 | C46 | H94 | 121.3° | 120.0° |
| CA9 | C57 | C58 | C56 | 123.6° | 118.8° |
| CA9 | C57 | C58 | N59 | 154.5° | 63.4° |
| CA9 | C57 | C56 | C55 | 7.7° | 68.1° |
| C57 | CA9 | C46 | C45 | 143.1° | 162.6° |
| C57 | CA9 | C46 | C47 | 34.7° | 17.6° |
| CA9 | C57 | C56 | H38 | 128.6° | 172.2° |
| CA9 | C57 | C56 | H39 | 113.2° | 51.7° |
| CA9 | C57 | C58 | H40 | 33.8° | 176.6° |
| CA9 | C57 | C58 | H41 | 84.8° | 56.6° |
| CA9 | C57 | CA8 | H90 | 180.0° | 60.6° |
| CA9 | C57 | CA8 | H91 | 60.0° | 59.4° |
| CA9 | C57 | CA8 | H92 | 60.0° | 179.4° |
| C57 | CA9 | H93 | H94 | 116.0° | 119.6° |
| CA9 | C46 | C45 | N44 | 54.3° | 86.1° |
| C46 | CA9 | C57 | C58 | 79.1° | 169.7° |
| C46 | CA9 | C57 | C56 | 44.0° | 50.1° |
| CA9 | C46 | C45 | C47 | 177.5° | 179.7° |
| CA9 | C46 | C47 | C55 | 12.8° | 0.7° |
| CA9 | C46 | C47 | C48 | 177.3° | 179.3° |
| CA9 | C46 | C45 | H30 | 174.7° | 33.9° |
| CA9 | C46 | C45 | H31 | 66.2° | 153.9° |
| C46 | CA9 | H93 | H94 | 116.0° | 119.7° |
| N44 | CAA | CAB | H95 | 120.5° | 119.9° |
| N44 | CAA | CAB | H96 | 120.6° | 120.0° |
| N44 | CAA | CAB | N41 | 54.4° | 58.4° |
| CAA | N44 | C45 | C46 | 172.7° | 71.2° |
| CAA | N44 | C43 | H28 | 177.2° | 179.3° |
| CAA | N44 | C43 | H29 | 64.4° | 60.7° |
| CAA | N44 | C45 | H30 | 52.2° | 48.8° |
| CAA | N44 | C45 | H31 | 66.9° | 168.8° |
| N44 | CAA | H95 | H96 | 118.3° | 120.1° |
| N44 | CAA | CAB | H97 | 175.2° | 61.6° |
| N44 | CAA | CAB | H98 | 66.3° | 178.3° |
| C45 | N44 | CAA | CAB | 64.3° | 176.8° |
| N44 | C45 | C46 | H30 | 120.4° | 120.0° |
| N44 | C45 | C46 | H31 | 120.5° | 120.0° |
| N44 | C45 | C46 | C47 | 128.2° | 94.2° |
| C45 | N44 | C43 | H28 | 57.9° | 56.8° |
| C45 | N44 | C43 | H29 | 176.2° | 63.2° |
| N44 | C45 | H30 | H31 | 118.7° | 120.0° |
| C45 | N44 | CAA | H95 | 175.1° | 63.2° |
| C45 | N44 | CAA | H96 | 56.2° | 56.8° |
| C57 | C58 | N59 | H40 | 120.6° | 120.0° |
| C57 | C58 | N59 | H41 | 120.7° | 120.0° |
| C57 | C58 | N59 | CA7 | 120.3° | 87.9° |
| C58 | C57 | C56 | C55 | 119.2° | 172.4° |
| C57 | C58 | N59 | C60 | 122.1° | 147.7° |
| C58 | C57 | C56 | H38 | 1.7° | 52.6° |
| C58 | C57 | C56 | H39 | 119.9° | 67.8° |
| C57 | C58 | H40 | H41 | 118.0° | 119.9° |
| C58 | C57 | CA8 | H90 | 54.5° | 60.0° |
| C58 | C57 | CA8 | H91 | 65.5° | 180.0° |
| C58 | C57 | CA8 | H92 | 174.5° | 60.0° |
| C58 | C57 | CA9 | H93 | 159.6° | 49.2° |
| C58 | C57 | CA9 | H94 | 42.2° | 70.4° |
| C56 | C57 | C58 | N59 | 30.9° | 177.8° |
| C57 | C56 | C55 | H38 | 120.9° | 119.7° |
| C57 | C56 | C55 | H39 | 120.9° | 119.9° |
| C57 | C56 | C55 | C47 | 38.4° | 49.7° |
| C57 | C56 | C55 | H36 | 159.5° | 70.5° |
| C57 | C56 | C55 | H37 | 82.7° | 169.8° |
| C57 | C56 | H38 | H39 | 117.3° | 120.5° |
| C56 | C57 | C58 | H40 | 89.7° | 57.8° |
| C56 | C57 | C58 | H41 | 151.6° | 62.2° |
| C56 | C57 | CA8 | H90 | 61.0° | 179.6° |
| C56 | C57 | CA8 | H91 | 179.0° | 59.6° |
| C56 | C57 | CA8 | H92 | 58.9° | 60.4° |
| C56 | C57 | CA9 | H93 | 77.3° | 70.4° |
| C56 | C57 | CA9 | H94 | 165.3° | 170.0° |
| CAA | CAB | N41 | C40 | 93.5° | 176.8° |
| CAA | CAB | N41 | C42 | 50.5° | 59.3° |
| CAA | CAB | N41 | H97 | 120.7° | 120.0° |
| CAA | CAB | N41 | H98 | 120.8° | 120.0° |
| CAB | CAA | H95 | H96 | 118.3° | 120.1° |
| CAA | CAB | H97 | H98 | 117.7° | 120.0° |
| CAC | C40 | N41 | C42 | 178.8° | 0.0° |
| CAC | C40 | N41 | CAB | 39.1° | 123.8° |
| CAC | C40 | C39 | H25 | 179.7° | 180.0° |
| C40 | CAC | CAD | H100 | 179.2° | 179.7° |
| C40 | N41 | C42 | CAB | 144.8° | 123.8° |
| N41 | C40 | C39 | H25 | 0.3° | 0.0° |
| C40 | N41 | C42 | H26 | 146.0° | 56.9° |
| C40 | N41 | C42 | H27 | 26.9° | 63.2° |
| C40 | N41 | CAB | H97 | 27.2° | 63.2° |
| C40 | N41 | CAB | H98 | 145.8° | 56.8° |
| N41 | C40 | CAC | H99 | 0.3° | 0.0° |
| C76 | C73 | C72 | C74 | 118.7° | 120.0° |
| C76 | C73 | C72 | N71 | 34.0° | 60.3° |
| C76 | C73 | C72 | H54 | 155.4° | 59.7° |
| C76 | C73 | C74 | H55 | 62.0° | 180.0° |
| C76 | C73 | C74 | H56 | 58.0° | 59.9° |
| C76 | C73 | C74 | H57 | 178.0° | 60.1° |
| C76 | C73 | C75 | H58 | 180.0° | 65.0° |
| C76 | C73 | C75 | H59 | 60.0° | 55.0° |
| C76 | C73 | C75 | H60 | 60.0° | 175.0° |
| C73 | C76 | H61 | H62 | 120.0° | 119.9° |
| C73 | C76 | H61 | H63 | 120.0° | 120.0° |
| C73 | C76 | H62 | H63 | 120.0° | 120.0° |
| N16 | C17 | C18 | C27 | 127.0° | 120.0° |
| N16 | C17 | C18 | H2 | 115.2° | 120.1° |
| N16 | C17 | C27 | H2 | 123.3° | 120.0° |
| N16 | C17 | C18 | C19 | 143.3° | 65.3° |
| N16 | C17 | C27 | S28 | 32.8° | 60.0° |
| N16 | C17 | C18 | H11 | 22.9° | 174.8° |
| N16 | C17 | C18 | H12 | 96.3° | 54.7° |
| N16 | C17 | C27 | H17 | 153.9° | 60.0° |
| N16 | C17 | C27 | H18 | 88.3° | 180.0° |
| C73 | C72 | N71 | H54 | 120.7° | 120.1° |
| C73 | C72 | N71 | C70 | 136.9° | 85.1° |
| C72 | C73 | C74 | H55 | 57.2° | 60.0° |
| C72 | C73 | C74 | H56 | 177.3° | 179.9° |
| C72 | C73 | C74 | H57 | 62.8° | 59.9° |
| C72 | C73 | C75 | H58 | 58.6° | 54.9° |
| C72 | C73 | C75 | H59 | 178.7° | 175.0° |
| C72 | C73 | C75 | H60 | 61.3° | 65.1° |
| C72 | C73 | C76 | H61 | 57.1° | 60.1° |
| C72 | C73 | C76 | H62 | 63.0° | 180.0° |
| C72 | C73 | C76 | H63 | 177.0° | 60.0° |
| C73 | C72 | N71 | H108 | 43.1° | 95.0° |
| C74 | C73 | C72 | N71 | 84.7° | 59.7° |
| C74 | C73 | C72 | H54 | 36.6° | 179.7° |
| C73 | C74 | H55 | H56 | 120.0° | 120.1° |
| C73 | C74 | H55 | H57 | 120.0° | 119.9° |
| C73 | C74 | H56 | H57 | 120.0° | 120.0° |
| C74 | C73 | C75 | H58 | 61.6° | 175.0° |
| C74 | C73 | C75 | H59 | 58.5° | 65.0° |
| C74 | C73 | C75 | H60 | 178.5° | 55.0° |
| C74 | C73 | C76 | H61 | 61.2° | 60.0° |
| C74 | C73 | C76 | H62 | 178.7° | 59.9° |
| C74 | C73 | C76 | H63 | 58.7° | 180.0° |
| C58 | N59 | CA7 | CA6 | 52.3° | 172.8° |
| C58 | N59 | CA7 | C60 | 119.8° | 124.2° |
| C58 | N59 | C60 | C61 | 78.8° | 172.7° |
| N59 | C58 | H40 | H41 | 118.0° | 120.0° |
| C58 | N59 | C60 | H42 | 160.7° | 67.3° |
| C58 | N59 | C60 | H43 | 41.7° | 52.8° |
| C58 | N59 | CA7 | H88 | 172.5° | 52.8° |
| C58 | N59 | CA7 | H89 | 68.0° | 67.3° |
| CA7 | CA6 | N62 | H86 | 120.9° | 119.8° |
| CA7 | CA6 | N62 | H87 | 120.9° | 119.7° |
| CA6 | CA7 | N59 | H88 | 120.3° | 120.0° |
| CA6 | CA7 | N59 | H89 | 120.3° | 119.9° |
| CA6 | CA7 | N59 | C60 | 67.5° | 63.1° |
| CA7 | CA6 | N62 | C63 | 157.4° | 128.8° |
| CA7 | CA6 | N62 | C61 | 21.7° | 51.2° |
| CA7 | CA6 | H86 | H87 | 117.1° | 120.5° |
| CA6 | CA7 | H88 | H89 | 119.2° | 120.1° |
| N62 | CA6 | CA7 | N59 | 35.8° | 53.8° |
| CA6 | N62 | C63 | OA5 | 0.1° | 0.0° |
| CA6 | N62 | C63 | C61 | 179.1° | 180.0° |
| CA6 | N62 | C63 | C64 | 178.9° | 180.0° |
| CA6 | N62 | C61 | C60 | 49.5° | 51.2° |
| CA6 | N62 | C61 | H44 | 170.6° | 68.5° |
| CA6 | N62 | C61 | H45 | 71.7° | 171.0° |
| N62 | CA6 | H86 | H87 | 117.1° | 120.5° |
| N62 | CA6 | CA7 | H88 | 84.5° | 173.8° |
| N62 | CA6 | CA7 | H89 | 156.1° | 66.1° |
| CA7 | N59 | C60 | C61 | 39.9° | 63.1° |
| CA7 | N59 | C58 | H40 | 119.0° | 152.0° |
| CA7 | N59 | C58 | H41 | 0.4° | 32.0° |
| CA7 | N59 | C60 | H42 | 80.6° | 56.9° |
| CA7 | N59 | C60 | H43 | 160.3° | 177.0° |
| N59 | CA7 | CA6 | H86 | 85.2° | 173.6° |
| N59 | CA7 | CA6 | H87 | 156.7° | 65.9° |
| N59 | CA7 | H88 | H89 | 119.2° | 120.0° |
| C56 | C55 | C47 | C46 | 49.7° | 17.1° |
| C56 | C55 | C47 | H36 | 121.1° | 120.2° |
| C56 | C55 | C47 | H37 | 121.1° | 120.1° |
| C56 | C55 | C47 | C48 | 143.8° | 162.8° |
| C56 | C55 | H36 | H37 | 116.6° | 119.6° |
| C55 | C56 | H38 | H39 | 117.3° | 120.4° |
| N41 | C42 | H26 | H27 | 118.6° | 120.0° |
| N41 | C42 | C43 | H28 | 178.8° | 178.4° |
| N41 | C42 | C43 | H29 | 62.8° | 61.5° |
| C42 | N41 | CAB | H97 | 171.2° | 60.7° |
| C42 | N41 | CAB | H98 | 70.3° | 179.3° |
| OA5 | C63 | N62 | C64 | 178.9° | 179.9° |
| OA5 | C63 | N62 | C61 | 179.0° | 180.0° |
| OA5 | C63 | C64 | N65 | 42.9° | 0.0° |
| OA5 | C63 | C64 | H46 | 163.8° | 120.0° |
| OA5 | C63 | C64 | H47 | 78.1° | 120.0° |
| CAB | N41 | C42 | H26 | 69.3° | 179.3° |
| CAB | N41 | C42 | H27 | 171.6° | 60.7° |
| N41 | CAB | CAA | H95 | 66.1° | 61.5° |
| N41 | CAB | CAA | H96 | 175.0° | 178.4° |
| N41 | CAB | H97 | H98 | 117.7° | 120.0° |
| C72 | N71 | C70 | H108 | 180.0° | 179.8° |
| C72 | N71 | C70 | OA2 | 0.4° | 0.1° |
| C72 | N71 | C70 | C69 | 179.7° | 180.0° |
| C18 | C17 | C27 | H2 | 118.2° | 120.0° |
| C17 | C18 | C19 | H11 | 120.4° | 120.0° |
| C17 | C18 | C19 | H12 | 120.5° | 120.0° |
| C18 | C17 | C27 | S28 | 85.7° | 180.0° |
| C17 | C18 | C19 | N20 | 122.8° | 175.4° |
| C17 | C18 | H11 | H12 | 118.7° | 120.1° |
| C17 | C18 | C19 | H13 | 4.7° | 64.6° |
| C17 | C18 | C19 | H14 | 119.1° | 55.4° |
| C18 | C17 | C27 | H17 | 35.4° | 60.1° |
| C18 | C17 | C27 | H18 | 153.2° | 60.0° |
| C18 | C17 | N16 | H101 | 76.9° | 67.1° |
| C27 | C17 | C18 | C19 | 16.3° | 174.7° |
| C17 | C27 | S28 | H17 | 121.1° | 120.0° |
| C17 | C27 | S28 | H18 | 121.0° | 120.1° |
| C17 | C27 | S28 | C29 | 62.0° | 180.0° |
| C27 | C17 | C18 | H11 | 104.1° | 54.7° |
| C27 | C17 | C18 | H12 | 136.7° | 65.3° |
| C17 | C27 | H17 | H18 | 116.6° | 120.1° |
| C27 | C17 | N16 | H101 | 45.3° | 52.9° |
| C45 | C46 | C47 | C55 | 169.8° | 179.6° |
| C45 | C46 | C47 | C48 | 5.3° | 0.5° |
| C46 | C45 | H30 | H31 | 118.6° | 120.0° |
| C45 | C46 | CA9 | H93 | 95.6° | 77.1° |
| C45 | C46 | CA9 | H94 | 21.8° | 42.6° |
| C46 | C47 | C55 | C48 | 166.5° | 180.0° |
| C46 | C47 | C48 | C54 | 106.6° | 115.0° |
| C46 | C47 | C48 | C49 | 72.6° | 64.8° |
| C47 | C46 | C45 | H30 | 7.7° | 145.9° |
| C47 | C46 | C45 | H31 | 111.3° | 25.8° |
| C46 | C47 | C55 | H36 | 170.8° | 103.1° |
| C46 | C47 | C55 | H37 | 71.4° | 137.2° |
| C47 | C46 | CA9 | H93 | 86.6° | 102.7° |
| C47 | C46 | CA9 | H94 | 155.9° | 137.7° |
| N59 | C60 | C61 | N62 | 17.8° | 53.8° |
| N59 | C60 | C61 | H42 | 120.5° | 120.0° |
| N59 | C60 | C61 | H43 | 120.5° | 119.9° |
| C60 | N59 | C58 | H40 | 1.5° | 27.7° |
| C60 | N59 | C58 | H41 | 117.2° | 92.3° |
| N59 | C60 | H42 | H43 | 118.5° | 120.1° |
| N59 | C60 | C61 | H44 | 139.0° | 65.9° |
| N59 | C60 | C61 | H45 | 103.3° | 173.8° |
| C60 | N59 | CA7 | H88 | 52.8° | 176.9° |
| C60 | N59 | CA7 | H89 | 172.2° | 56.9° |
| C55 | C47 | C48 | C54 | 57.1° | 64.9° |
| C55 | C47 | C48 | C49 | 123.7° | 115.3° |
| C47 | C55 | H36 | H37 | 116.5° | 119.7° |
| C47 | C55 | C56 | H38 | 82.5° | 169.4° |
| C47 | C55 | C56 | H39 | 159.3° | 70.2° |
| C33 | C32 | C31 | H21 | 180.0° | 179.7° |
| C32 | C33 | C34 | H22 | 180.0° | 179.7° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C32 | C33 | C34 | C29 | 0.0° | 0.5° |
| C33 | C32 | C31 | H20 | 180.0° | 180.0° |
| C32 | C33 | C34 | H23 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.3° |
| C32 | C31 | C30 | H20 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.1° |
| C32 | C31 | C30 | H19 | 179.9° | 180.0° |
| C31 | C32 | C33 | H22 | 180.0° | 179.9° |
| C33 | C34 | C29 | H23 | 180.0° | 179.5° |
| C33 | C34 | C29 | C30 | 0.0° | 0.5° |
| C33 | C34 | C29 | S28 | 179.9° | 179.7° |
| C34 | C33 | C32 | H21 | 180.0° | 180.0° |
| C18 | C19 | N20 | C26 | 68.8° | 76.8° |
| C18 | C19 | N20 | H13 | 118.1° | 119.9° |
| C18 | C19 | N20 | H14 | 118.1° | 120.0° |
| C18 | C19 | N20 | C21 | 172.8° | 166.2° |
| C19 | C18 | C17 | H2 | 101.5° | 54.8° |
| C19 | C18 | H11 | H12 | 118.6° | 120.0° |
| C18 | C19 | H13 | H14 | 125.4° | 120.0° |
| N71 | C70 | OA2 | C69 | 180.0° | 179.9° |
| N71 | C70 | C69 | N68 | 3.2° | 179.9° |
| N71 | C70 | C69 | H52 | 123.8° | 60.1° |
| N71 | C70 | C69 | H53 | 117.3° | 59.9° |
| C70 | N71 | C72 | H54 | 16.2° | 34.9° |
| C63 | N62 | C61 | C60 | 129.7° | 128.8° |
| N62 | C63 | C64 | N65 | 138.2° | 180.0° |
| C63 | N62 | C61 | H44 | 8.6° | 111.5° |
| C63 | N62 | C61 | H45 | 109.1° | 9.0° |
| N62 | C63 | C64 | H46 | 17.3° | 60.0° |
| N62 | C63 | C64 | H47 | 100.8° | 60.0° |
| C63 | N62 | CA6 | H86 | 36.5° | 9.1° |
| C63 | N62 | CA6 | H87 | 81.6° | 111.5° |
| C61 | N62 | C63 | C64 | 0.1° | 0.0° |
| N62 | C61 | C60 | H44 | 121.2° | 119.7° |
| N62 | C61 | C60 | H45 | 121.1° | 119.9° |
| N62 | C61 | C60 | H42 | 138.3° | 66.1° |
| N62 | C61 | C60 | H43 | 102.7° | 173.8° |
| N62 | C61 | H44 | H45 | 116.4° | 120.6° |
| C61 | N62 | CA6 | H86 | 142.7° | 170.9° |
| C61 | N62 | CA6 | H87 | 99.2° | 68.5° |
| C63 | C64 | N65 | CA4 | 90.9° | 66.2° |
| C63 | C64 | N65 | H46 | 121.0° | 120.0° |
| C63 | C64 | N65 | H47 | 121.0° | 120.0° |
| C63 | C64 | N65 | C66 | 37.1° | 170.0° |
| C63 | C64 | H46 | H47 | 117.0° | 120.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.2° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C31 | C30 | C29 | S28 | 179.9° | 180.0° |
| C30 | C31 | C32 | H21 | 180.0° | 179.7° |
| C47 | C48 | C54 | C49 | 179.2° | 179.8° |
| C47 | C48 | C54 | C53 | 179.6° | 179.6° |
| C47 | C48 | C49 | C50 | 179.8° | 179.9° |
| C47 | C48 | C49 | H32 | 0.1° | 0.0° |
| C47 | C48 | C54 | H35 | 0.4° | 0.1° |
| C48 | C47 | C55 | H36 | 22.7° | 76.9° |
| C48 | C47 | C55 | H37 | 95.0° | 42.7° |
| C27 | S28 | C29 | C34 | 81.8° | 0.3° |
| C27 | S28 | C29 | C30 | 98.4° | 180.0° |
| S28 | C27 | C17 | H2 | 156.1° | 60.1° |
| S28 | C27 | H17 | H18 | 116.7° | 119.9° |
| C34 | C29 | C30 | S28 | 179.8° | 179.7° |
| C34 | C29 | C30 | H19 | 179.9° | 179.7° |
| C29 | C34 | C33 | H22 | 180.0° | 179.8° |
| C29 | C30 | C31 | H20 | 179.9° | 180.0° |
| C30 | C29 | C34 | H23 | 179.9° | 180.0° |
| C29 | S28 | C27 | H17 | 176.9° | 60.0° |
| C29 | S28 | C27 | H18 | 59.0° | 60.0° |
| S28 | C29 | C30 | H19 | 0.1° | 0.0° |
| S28 | C29 | C34 | H23 | 0.1° | 0.3° |
| C26 | N20 | C19 | C21 | 104.0° | 117.0° |
| N20 | C26 | C24 | H7 | 119.5° | 118.3° |
| N20 | C26 | C24 | H8 | 119.5° | 119.6° |
| N20 | C26 | C24 | C25 | 29.2° | 32.3° |
| N20 | C26 | C24 | O23 | 79.4° | 71.9° |
| C26 | N20 | C21 | C25 | 43.5° | 37.4° |
| C26 | N20 | C21 | C22 | 57.6° | 65.0° |
| C26 | N20 | C21 | H3 | 169.8° | 165.6° |
| N20 | C26 | C24 | H6 | 151.6° | 158.9° |
| N20 | C26 | H7 | H8 | 121.4° | 122.8° |
| C26 | N20 | C19 | H13 | 173.1° | 163.3° |
| C26 | N20 | C19 | H14 | 49.3° | 43.2° |
| C19 | N20 | C26 | C24 | 109.3° | 122.9° |
| C19 | N20 | C21 | C25 | 156.0° | 157.6° |
| C19 | N20 | C21 | C22 | 54.9° | 55.2° |
| C19 | N20 | C21 | H3 | 77.7° | 74.2° |
| C19 | N20 | C26 | H7 | 10.3° | 118.6° |
| C19 | N20 | C26 | H8 | 131.2° | 3.8° |
| N20 | C19 | C18 | H11 | 116.7° | 55.5° |
| N20 | C19 | C18 | H12 | 2.4° | 64.5° |
| N20 | C19 | H13 | H14 | 125.4° | 120.1° |
| C21 | N20 | C26 | C24 | 9.0° | 2.9° |
| N20 | C21 | C25 | C24 | 60.2° | 55.5° |
| N20 | C21 | C25 | C22 | 108.4° | 106.2° |
| N20 | C21 | C25 | H3 | 127.0° | 128.0° |
| N20 | C21 | C22 | H3 | 132.9° | 129.4° |
| N20 | C21 | C22 | O23 | 73.2° | 72.3° |
| N20 | C21 | C22 | H4 | 166.8° | 168.6° |
| N20 | C21 | C22 | H5 | 46.7° | 46.8° |
| C21 | N20 | C26 | H7 | 110.5° | 121.4° |
| C21 | N20 | C26 | H8 | 128.6° | 116.2° |
| C21 | N20 | C19 | H13 | 69.0° | 46.3° |
| C21 | N20 | C19 | H14 | 54.8° | 73.8° |
| N20 | C21 | C25 | H15 | 177.3° | 60.7° |
| N20 | C21 | C25 | H16 | 56.8° | 171.7° |
| C26 | C24 | C25 | O23 | 109.8° | 105.9° |
| C26 | C24 | C25 | H6 | 122.5° | 127.3° |
| C26 | C24 | O23 | H6 | 127.8° | 130.1° |
| C26 | C24 | C25 | C21 | 53.0° | 51.8° |
| C26 | C24 | O23 | C22 | 65.8° | 66.3° |
| C24 | C26 | H7 | H8 | 121.4° | 122.1° |
| C26 | C24 | C25 | H15 | 170.0° | 64.4° |
| C26 | C24 | C25 | H16 | 64.1° | 168.0° |
| C61 | C60 | H42 | H43 | 118.5° | 120.1° |
| C60 | C61 | H44 | H45 | 116.4° | 120.4° |
| OA2 | C70 | C69 | N68 | 176.8° | 0.1° |
| OA2 | C70 | C69 | H52 | 56.2° | 120.0° |
| OA2 | C70 | C69 | H53 | 62.7° | 119.9° |
| OA2 | C70 | N71 | H108 | 179.6° | 180.0° |
| C70 | C69 | N68 | CA3 | 72.3° | 170.0° |
| C70 | C69 | N68 | C67 | 165.5° | 66.2° |
| C70 | C69 | N68 | H52 | 120.6° | 120.0° |
| C70 | C69 | N68 | H53 | 120.5° | 120.0° |
| C70 | C69 | H52 | H53 | 118.3° | 120.1° |
| C69 | C70 | N71 | H108 | 0.3° | 0.2° |
| CA3 | CA4 | N65 | H84 | 120.6° | 120.0° |
| CA3 | CA4 | N65 | H85 | 120.7° | 120.0° |
| CA4 | CA3 | N68 | H82 | 120.4° | 120.0° |
| CA4 | CA3 | N68 | H83 | 120.4° | 120.0° |
| CA4 | CA3 | N68 | C67 | 51.5° | 59.3° |
| CA4 | CA3 | N68 | C69 | 173.6° | 176.8° |
| CA3 | CA4 | N65 | C64 | 178.0° | 176.8° |
| CA3 | CA4 | N65 | C66 | 52.5° | 59.3° |
| CA4 | CA3 | H82 | H83 | 118.9° | 120.0° |
| CA3 | CA4 | H84 | H85 | 118.1° | 120.1° |
| N65 | CA4 | CA3 | N68 | 56.5° | 58.4° |
| CA4 | N65 | C64 | C66 | 128.0° | 123.8° |
| CA4 | N65 | C66 | C67 | 46.2° | 59.4° |
| CA4 | N65 | C64 | H46 | 148.1° | 53.8° |
| CA4 | N65 | C64 | H47 | 30.0° | 173.8° |
| CA4 | N65 | C66 | H48 | 166.9° | 179.3° |
| CA4 | N65 | C66 | H49 | 74.6° | 60.6° |
| N65 | CA4 | CA3 | H82 | 63.9° | 61.6° |
| N65 | CA4 | CA3 | H83 | 176.9° | 178.4° |
| N65 | CA4 | H84 | H85 | 118.1° | 120.0° |
| CA3 | N68 | C67 | C69 | 121.0° | 123.9° |
| CA3 | N68 | C67 | C66 | 46.8° | 59.3° |
| CA3 | N68 | C67 | H50 | 74.2° | 179.3° |
| CA3 | N68 | C67 | H51 | 167.7° | 60.7° |
| CA3 | N68 | C69 | H52 | 48.2° | 50.0° |
| CA3 | N68 | C69 | H53 | 167.1° | 70.0° |
| N68 | CA3 | H82 | H83 | 118.8° | 120.0° |
| N68 | CA3 | CA4 | H84 | 64.1° | 61.6° |
| N68 | CA3 | CA4 | H85 | 177.2° | 178.3° |
| N68 | C67 | C66 | H50 | 121.0° | 119.9° |
| N68 | C67 | C66 | H51 | 120.9° | 119.9° |
| N68 | C67 | C66 | N65 | 45.0° | 58.4° |
| N68 | C67 | C66 | H48 | 165.8° | 178.3° |
| N68 | C67 | C66 | H49 | 75.7° | 61.6° |
| N68 | C67 | H50 | H51 | 117.1° | 120.0° |
| C67 | N68 | C69 | H52 | 73.9° | 173.8° |
| C67 | N68 | C69 | H53 | 44.9° | 53.8° |
| C67 | N68 | CA3 | H82 | 68.9° | 60.7° |
| C67 | N68 | CA3 | H83 | 171.8° | 179.3° |
| C69 | N68 | C67 | C66 | 167.8° | 176.8° |
| C69 | N68 | C67 | H50 | 46.8° | 56.8° |
| C69 | N68 | C67 | H51 | 71.3° | 63.2° |
| N68 | C69 | H52 | H53 | 118.3° | 120.0° |
| C69 | N68 | CA3 | H82 | 53.2° | 63.2° |
| C69 | N68 | CA3 | H83 | 66.0° | 56.8° |
| C64 | N65 | C66 | C67 | 175.1° | 176.8° |
| N65 | C64 | H46 | H47 | 117.0° | 120.0° |
| C64 | N65 | C66 | H48 | 64.1° | 56.9° |
| C64 | N65 | C66 | H49 | 54.3° | 63.2° |
| C64 | N65 | CA4 | H84 | 61.4° | 63.2° |
| C64 | N65 | CA4 | H85 | 57.3° | 56.9° |
| C48 | C54 | C53 | H35 | 180.0° | 179.7° |
| C54 | C48 | C49 | C50 | 0.5° | 0.3° |
| C48 | C54 | C53 | C51 | 0.2° | 0.6° |
| C54 | C48 | C49 | H32 | 179.5° | 179.8° |
| C48 | C54 | C53 | H34 | 179.9° | 179.7° |
| C49 | C48 | C54 | C53 | 0.4° | 0.5° |
| C48 | C49 | C50 | H32 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.4° | 0.0° |
| C48 | C49 | C50 | H33 | 179.6° | 180.0° |
| C49 | C48 | C54 | H35 | 179.6° | 179.7° |
| C67 | C66 | N65 | H48 | 120.8° | 119.9° |
| C67 | C66 | N65 | H49 | 120.8° | 120.0° |
| C67 | C66 | H48 | H49 | 117.7° | 120.0° |
| C66 | C67 | H50 | H51 | 117.0° | 120.1° |
| C66 | N65 | C64 | H46 | 83.9° | 70.0° |
| C66 | N65 | C64 | H47 | 158.0° | 50.0° |
| N65 | C66 | H48 | H49 | 117.6° | 120.1° |
| N65 | C66 | C67 | H50 | 75.9° | 178.3° |
| N65 | C66 | C67 | H51 | 166.0° | 61.6° |
| C66 | N65 | CA4 | H84 | 68.1° | 60.6° |
| C66 | N65 | CA4 | H85 | 173.2° | 179.3° |
| C54 | C53 | C51 | H34 | 180.0° | 179.7° |
| C54 | C53 | C51 | C50 | 0.0° | 0.3° |
| C54 | C53 | C51 | CL52 | 180.0° | 179.7° |
| C25 | C24 | O23 | H6 | 126.4° | 127.0° |
| C24 | C25 | C21 | H15 | 117.1° | 116.2° |
| C24 | C25 | C21 | H16 | 117.1° | 116.1° |
| C24 | C25 | C21 | C22 | 48.2° | 50.6° |
| C25 | C24 | O23 | C22 | 40.0° | 36.6° |
| C24 | C25 | C21 | H3 | 172.7° | 176.5° |
| C25 | C24 | C26 | H7 | 148.8° | 86.0° |
| C25 | C24 | C26 | H8 | 90.3° | 151.9° |
| C24 | C25 | H15 | H16 | 128.0° | 127.8° |
| O23 | C24 | C25 | C21 | 56.8° | 54.2° |
| C24 | O23 | C22 | C21 | 5.3° | 2.6° |
| C24 | O23 | C22 | H4 | 125.2° | 121.6° |
| C24 | O23 | C22 | H5 | 114.7° | 116.5° |
| O23 | C24 | C26 | H7 | 40.2° | 169.8° |
| O23 | C24 | C26 | H8 | 161.1° | 47.8° |
| O23 | C24 | C25 | H15 | 60.2° | 170.3° |
| O23 | C24 | C25 | H16 | 173.9° | 62.0° |
| C25 | C21 | C22 | H3 | 124.3° | 126.1° |
| C25 | C21 | C22 | O23 | 29.6° | 32.2° |
| C25 | C21 | C22 | H4 | 90.3° | 86.8° |
| C25 | C21 | C22 | H5 | 149.5° | 151.3° |
| C21 | C25 | C24 | H6 | 175.5° | 179.0° |
| C21 | C25 | H15 | H16 | 128.0° | 127.9° |
| C21 | C22 | O23 | H4 | 119.9° | 119.0° |
| C21 | C22 | O23 | H5 | 119.9° | 119.0° |
| C21 | C22 | H4 | H5 | 120.2° | 121.9° |
| C22 | C21 | C25 | H15 | 68.9° | 166.8° |
| C22 | C21 | C25 | H16 | 165.3° | 65.5° |
| C49 | C50 | C51 | C53 | 0.1° | 0.0° |
| C49 | C50 | C51 | H33 | 180.0° | 180.0° |
| C49 | C50 | C51 | CL52 | 179.9° | 180.0° |
| C53 | C51 | C50 | CL52 | 180.0° | 180.0° |
| C53 | C51 | C50 | H33 | 179.9° | 180.0° |
| C51 | C53 | C54 | H35 | 179.8° | 179.7° |
| O23 | C22 | C21 | H3 | 153.9° | 158.3° |
| O23 | C22 | H4 | H5 | 120.2° | 122.1° |
| C22 | O23 | C24 | H6 | 166.3° | 163.7° |
| C51 | C50 | C49 | H32 | 179.6° | 179.9° |
| C50 | C51 | C53 | H34 | 179.9° | 180.0° |
| CL52 | C51 | C50 | H33 | 0.1° | 0.0° |
| CL52 | C51 | C53 | H34 | 0.1° | 0.0° |
| H1 | C13 | C14 | H10 | 0.6° | 0.0° |
| H2 | C17 | C18 | H11 | 138.1° | 65.2° |
| H2 | C17 | C18 | H12 | 18.9° | 174.8° |
| H2 | C17 | C27 | H17 | 82.8° | 180.0° |
| H2 | C17 | C27 | H18 | 35.0° | 59.9° |
| H2 | C17 | N16 | H101 | 168.1° | 172.9° |
| H3 | C21 | C22 | H4 | 34.0° | 39.3° |
| H3 | C21 | C22 | H5 | 86.2° | 82.6° |
| H3 | C21 | C25 | H15 | 55.7° | 67.3° |
| H3 | C21 | C25 | H16 | 70.2° | 60.4° |
| H6 | C24 | C26 | H7 | 88.8° | 40.6° |
| H6 | C24 | C26 | H8 | 32.1° | 81.5° |
| H6 | C24 | C25 | H15 | 67.5° | 62.9° |
| H6 | C24 | C25 | H16 | 58.4° | 64.8° |
| H11 | C18 | C19 | H13 | 125.2° | 175.4° |
| H11 | C18 | C19 | H14 | 1.3° | 64.6° |
| H12 | C18 | C19 | H13 | 115.7° | 55.4° |
| H12 | C18 | C19 | H14 | 120.4° | 175.4° |
| H19 | C30 | C31 | H20 | 0.1° | 0.0° |
| H20 | C31 | C32 | H21 | 0.0° | 0.3° |
| H21 | C32 | C33 | H22 | 0.0° | 0.3° |
| H22 | C33 | C34 | H23 | 0.0° | 0.3° |
| H24 | C38 | C39 | H25 | 0.7° | 0.1° |
| H26 | C42 | C43 | H28 | 58.4° | 61.7° |
| H26 | C42 | C43 | H29 | 176.7° | 58.4° |
| H27 | C42 | C43 | H28 | 60.7° | 58.4° |
| H27 | C42 | C43 | H29 | 57.7° | 178.5° |
| H32 | C49 | C50 | H33 | 0.4° | 0.1° |
| H34 | C53 | C54 | H35 | 0.1° | 0.0° |
| H36 | C55 | C56 | H38 | 38.7° | 49.2° |
| H36 | C55 | C56 | H39 | 79.6° | 169.6° |
| H37 | C55 | C56 | H38 | 156.4° | 70.5° |
| H37 | C55 | C56 | H39 | 38.2° | 49.9° |
| H42 | C60 | C61 | H44 | 100.5° | 174.2° |
| H42 | C60 | C61 | H45 | 17.2° | 53.8° |
| H43 | C60 | C61 | H44 | 18.5° | 54.1° |
| H43 | C60 | C61 | H45 | 136.2° | 66.3° |
| H48 | C66 | C67 | H50 | 44.8° | 61.7° |
| H48 | C66 | C67 | H51 | 73.3° | 58.4° |
| H49 | C66 | C67 | H50 | 163.3° | 58.3° |
| H49 | C66 | C67 | H51 | 45.2° | 178.4° |
| H54 | C72 | N71 | H108 | 163.8° | 144.9° |
| H55 | C74 | H56 | H57 | 120.0° | 120.0° |
| H58 | C75 | H59 | H60 | 119.9° | 120.0° |
| H61 | C76 | H62 | H63 | 120.0° | 120.1° |
| H64 | C79 | C97 | H77 | 155.4° | 144.4° |
| H64 | C79 | C97 | H78 | 34.6° | 21.1° |
| H65 | C82 | C83 | H66 | 62.8° | 180.0° |
| H65 | C82 | C83 | H67 | 177.2° | 60.0° |
| H65 | C82 | C83 | H68 | 57.2° | 60.1° |
| H65 | C82 | N81 | H109 | 135.5° | 145.0° |
| H66 | C83 | H67 | H68 | 120.0° | 120.1° |
| H69 | C85 | C86 | H70 | 0.1° | 0.0° |
| H71 | C90 | H72 | H73 | 120.0° | 120.0° |
| H75 | C94 | C95 | H76 | 0.1° | 0.3° |
| H77 | C97 | C98 | H79 | 161.0° | 159.1° |
| H78 | C97 | C98 | H79 | 40.2° | 35.8° |
| H79 | C98 | CA0 | H80 | 35.0° | 160.1° |
| H79 | C98 | CA0 | H81 | 155.1° | 37.9° |
| H79 | C98 | O99 | H102 | 55.8° | 56.0° |
| H82 | CA3 | CA4 | H84 | 175.5° | 178.5° |
| H82 | CA3 | CA4 | H85 | 56.8° | 58.3° |
| H83 | CA3 | CA4 | H84 | 56.3° | 58.5° |
| H83 | CA3 | CA4 | H85 | 62.4° | 61.7° |
| H86 | CA6 | CA7 | H88 | 154.6° | 66.5° |
| H86 | CA6 | CA7 | H89 | 35.1° | 53.7° |
| H87 | CA6 | CA7 | H88 | 36.5° | 54.1° |
| H87 | CA6 | CA7 | H89 | 83.0° | 174.2° |
| H90 | CA8 | H91 | H92 | 120.0° | 120.1° |
| H95 | CAA | CAB | H97 | 54.6° | 178.5° |
| H95 | CAA | CAB | H98 | 173.1° | 58.4° |
| H96 | CAA | CAB | H97 | 64.3° | 58.4° |
| H96 | CAA | CAB | H98 | 54.2° | 61.6° |
| H99 | CAC | CAD | H100 | 0.8° | 0.0° |
