OJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C69 | C70 | doub | 1.39Å | 1.38Å | Aromatic |
| C69 | C68 | sing | 1.38Å | 1.38Å | Aromatic |
| C70 | C71 | sing | 1.38Å | 1.38Å | Aromatic |
| C68 | C67 | doub | 1.39Å | 1.40Å | Aromatic |
| C71 | C66 | doub | 1.40Å | 1.40Å | Aromatic |
| C67 | C66 | sing | 1.40Å | 1.42Å | Aromatic |
| C67 | N5 | sing | 1.39Å | 1.38Å | |
| C66 | C65 | sing | 1.47Å | 1.50Å | |
| C65 | O10 | doub | 1.22Å | 1.23Å | |
| C65 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C64 | sing | 1.47Å | 1.46Å | |
| C64 | C63 | sing | 1.53Å | 1.52Å | |
| C63 | C62 | sing | 1.53Å | 1.52Å | |
| N6 | C72 | sing | 1.35Å | 1.32Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | C60 | sing | 1.53Å | 1.53Å | |
| C72 | O11 | doub | 1.21Å | 1.23Å | |
| C72 | C60 | sing | 1.51Å | 1.53Å | |
| C60 | N3 | sing | 1.47Å | 1.45Å | |
| O8 | C58 | sing | 1.43Å | 1.42Å | |
| N3 | C59 | sing | 1.35Å | 1.34Å | |
| C58 | C57 | sing | 1.53Å | 1.53Å | |
| C59 | C57 | sing | 1.51Å | 1.53Å | |
| C59 | O9 | doub | 1.21Å | 1.23Å | |
| C57 | N2 | sing | 1.47Å | 1.45Å | |
| C55 | O6 | sing | 1.43Å | 1.42Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| N2 | C56 | sing | 1.35Å | 1.34Å | |
| O2 | C21 | doub | 1.21Å | 1.20Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C56 | O7 | doub | 1.21Å | 1.23Å | |
| C56 | C54 | sing | 1.51Å | 1.53Å | |
| C21 | O1 | sing | 1.34Å | 1.33Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C54 | N1 | sing | 1.46Å | 1.46Å | |
| O1 | C20 | sing | 1.45Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| O5 | C53 | doub | 1.21Å | 1.23Å | |
| N1 | C53 | sing | 1.35Å | 1.34Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C53 | C16 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C19 | O3 | sing | 1.45Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| O3 | C37 | sing | 1.34Å | 1.34Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | S | sing | 1.81Å | 1.81Å | |
| C16 | N | sing | 1.46Å | 1.45Å | |
| S | C18 | sing | 1.81Å | 1.81Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| N | C15 | sing | 1.35Å | 1.34Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | O4 | doub | 1.21Å | 1.20Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C15 | O | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C4 | H58 | sing | 1.09Å | 1.10Å | |
| C4 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C41 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C42 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C43 | H67 | sing | 1.09Å | 1.10Å | |
| C44 | H68 | sing | 1.09Å | 1.10Å | |
| C44 | H69 | sing | 1.09Å | 1.10Å | |
| C45 | H70 | sing | 1.09Å | 1.10Å | |
| C45 | H71 | sing | 1.09Å | 1.10Å | |
| C46 | H72 | sing | 1.09Å | 1.10Å | |
| C46 | H73 | sing | 1.09Å | 1.10Å | |
| C47 | H74 | sing | 1.09Å | 1.10Å | |
| C47 | H75 | sing | 1.09Å | 1.10Å | |
| C48 | H76 | sing | 1.09Å | 1.10Å | |
| C48 | H77 | sing | 1.09Å | 1.10Å | |
| C49 | H78 | sing | 1.09Å | 1.10Å | |
| C49 | H79 | sing | 1.09Å | 1.10Å | |
| C5 | H80 | sing | 1.09Å | 1.10Å | |
| C5 | H81 | sing | 1.09Å | 1.10Å | |
| C50 | H82 | sing | 1.09Å | 1.10Å | |
| C50 | H83 | sing | 1.09Å | 1.10Å | |
| C51 | H84 | sing | 1.09Å | 1.10Å | |
| C51 | H85 | sing | 1.09Å | 1.10Å | |
| C54 | H87 | sing | 1.09Å | 1.10Å | |
| C55 | H88 | sing | 1.09Å | 1.10Å | |
| C55 | H89 | sing | 1.09Å | 1.10Å | |
| C57 | H90 | sing | 1.09Å | 1.10Å | |
| C58 | H91 | sing | 1.09Å | 1.10Å | |
| C58 | H92 | sing | 1.09Å | 1.10Å | |
| C6 | H93 | sing | 1.09Å | 1.10Å | |
| C6 | H94 | sing | 1.09Å | 1.10Å | |
| C60 | H95 | sing | 1.09Å | 1.10Å | |
| C61 | H96 | sing | 1.09Å | 1.10Å | |
| C61 | H97 | sing | 1.09Å | 1.10Å | |
| C62 | H98 | sing | 1.09Å | 1.10Å | |
| C62 | H99 | sing | 1.09Å | 1.10Å | |
| C63 | H100 | sing | 1.09Å | 1.10Å | |
| C63 | H101 | sing | 1.09Å | 1.10Å | |
| C64 | H102 | sing | 1.09Å | 1.10Å | |
| C64 | H103 | sing | 1.09Å | 1.10Å | |
| C68 | H104 | sing | 1.08Å | 1.08Å | |
| C69 | H105 | sing | 1.08Å | 1.08Å | |
| C7 | H106 | sing | 1.09Å | 1.10Å | |
| C7 | H107 | sing | 1.09Å | 1.10Å | |
| C70 | H108 | sing | 1.08Å | 1.08Å | |
| C71 | H109 | sing | 1.08Å | 1.08Å | |
| C8 | H110 | sing | 1.09Å | 1.10Å | |
| C8 | H111 | sing | 1.09Å | 1.10Å | |
| C9 | H112 | sing | 1.09Å | 1.10Å | |
| C9 | H113 | sing | 1.09Å | 1.10Å | |
| N1 | H114 | sing | 0.97Å | 1.00Å | |
| N2 | H115 | sing | 0.97Å | 1.00Å | |
| N3 | H116 | sing | 0.97Å | 1.00Å | |
| N4 | H117 | sing | 0.97Å | 1.00Å | |
| N5 | H118 | sing | 0.97Å | 1.00Å | |
| N5 | H119 | sing | 0.97Å | 1.00Å | |
| N6 | H120 | sing | 0.97Å | 1.00Å | |
| N6 | H121 | sing | 0.97Å | 1.00Å | |
| O6 | H122 | sing | 0.97Å | 0.95Å | |
| O8 | H123 | sing | 0.97Å | 0.95Å | |
| C33 | C34 | sing | 1.53Å | 163.49Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C51 | C52 | sing | 1.53Å | 163.94Å | |
| C34 | H53 | sing | 1.09Å | 0.00Å | |
| C34 | H86 | sing | 1.09Å | 0.00Å | |
| C35 | H124 | sing | 1.09Å | 0.00Å | |
| C35 | H125 | sing | 1.09Å | 0.00Å | |
| C36 | H126 | sing | 1.09Å | 0.00Å | |
| C36 | H127 | sing | 1.09Å | 0.00Å | |
| C36 | H128 | sing | 1.09Å | 0.00Å | |
| C52 | H129 | sing | 1.09Å | 0.00Å | |
| C52 | H130 | sing | 1.09Å | 0.00Å | |
| C52 | H131 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C70 | C69 | C68 | 120.2° | 120.4° |
| C69 | C70 | C71 | 120.3° | 120.3° |
| C70 | C69 | H105 | 119.9° | 119.8° |
| C69 | C70 | H108 | 119.8° | 119.8° |
| C69 | C68 | C67 | 121.1° | 120.1° |
| C69 | C68 | H104 | 119.4° | 120.0° |
| C68 | C69 | H105 | 119.9° | 119.8° |
| C70 | C71 | C66 | 120.5° | 120.0° |
| C71 | C70 | H108 | 119.9° | 119.8° |
| C70 | C71 | H109 | 119.8° | 120.0° |
| C68 | C67 | C66 | 118.2° | 119.6° |
| C68 | C67 | N5 | 119.5° | 120.2° |
| C67 | C68 | H104 | 119.4° | 119.9° |
| C71 | C66 | C67 | 119.7° | 119.6° |
| C71 | C66 | C65 | 120.3° | 120.3° |
| C66 | C71 | H109 | 119.8° | 120.0° |
| C66 | C67 | N5 | 122.3° | 120.2° |
| C67 | C66 | C65 | 120.1° | 120.2° |
| C67 | N5 | H118 | 109.5° | 120.0° |
| C67 | N5 | H119 | 109.5° | 120.0° |
| C66 | C65 | O10 | 120.8° | 120.0° |
| C66 | C65 | N4 | 117.1° | 120.0° |
| O10 | C65 | N4 | 122.2° | 120.0° |
| C65 | N4 | C64 | 122.1° | 120.0° |
| C65 | N4 | H117 | 118.9° | 120.0° |
| N4 | C64 | C63 | 112.2° | 109.5° |
| N4 | C64 | H102 | 108.8° | 109.5° |
| N4 | C64 | H103 | 108.8° | 109.4° |
| C64 | N4 | H117 | 118.9° | 119.9° |
| C64 | C63 | C62 | 113.2° | 109.5° |
| C64 | C63 | H100 | 108.5° | 109.5° |
| C64 | C63 | H101 | 108.5° | 109.5° |
| C63 | C64 | H102 | 108.8° | 109.5° |
| C63 | C64 | H103 | 108.8° | 109.5° |
| C63 | C62 | C61 | 113.7° | 109.5° |
| C63 | C62 | H98 | 108.4° | 109.5° |
| C63 | C62 | H99 | 108.4° | 109.5° |
| C62 | C63 | H100 | 108.5° | 109.5° |
| C62 | C63 | H101 | 108.5° | 109.5° |
| N6 | C72 | O11 | 123.3° | 120.0° |
| N6 | C72 | C60 | 116.7° | 120.0° |
| C72 | N6 | H120 | 120.0° | 120.0° |
| C72 | N6 | H121 | 120.0° | 120.0° |
| C62 | C61 | C60 | 112.8° | 109.5° |
| C62 | C61 | H96 | 108.6° | 109.5° |
| C62 | C61 | H97 | 108.6° | 109.5° |
| C61 | C62 | H98 | 108.4° | 109.5° |
| C61 | C62 | H99 | 108.4° | 109.5° |
| C61 | C60 | C72 | 110.2° | 109.5° |
| C61 | C60 | N3 | 110.5° | 109.5° |
| C61 | C60 | H95 | 108.4° | 109.5° |
| C60 | C61 | H96 | 108.6° | 109.5° |
| C60 | C61 | H97 | 108.6° | 109.5° |
| O11 | C72 | C60 | 120.1° | 120.0° |
| C72 | C60 | N3 | 109.8° | 109.4° |
| C72 | C60 | H95 | 108.4° | 109.5° |
| C60 | N3 | C59 | 122.2° | 120.0° |
| N3 | C60 | H95 | 109.4° | 109.4° |
| C60 | N3 | H116 | 118.9° | 120.0° |
| O8 | C58 | C57 | 110.9° | 109.5° |
| O8 | C58 | H91 | 109.1° | 109.5° |
| O8 | C58 | H92 | 109.1° | 109.4° |
| C58 | O8 | H123 | 109.5° | 114.0° |
| N3 | C59 | C57 | 116.3° | 120.0° |
| N3 | C59 | O9 | 123.2° | 120.0° |
| C59 | N3 | H116 | 118.9° | 120.0° |
| C58 | C57 | C59 | 109.7° | 109.5° |
| C58 | C57 | N2 | 110.8° | 109.5° |
| C58 | C57 | H90 | 108.0° | 109.5° |
| C57 | C58 | H91 | 109.1° | 109.5° |
| C57 | C58 | H92 | 109.1° | 109.5° |
| C57 | C59 | O9 | 120.5° | 120.0° |
| C59 | C57 | N2 | 111.2° | 109.4° |
| C59 | C57 | H90 | 108.0° | 109.5° |
| C57 | N2 | C56 | 121.6° | 120.0° |
| N2 | C57 | H90 | 109.0° | 109.4° |
| C57 | N2 | H115 | 119.2° | 120.0° |
| O6 | C55 | C54 | 110.9° | 109.4° |
| O6 | C55 | H88 | 109.1° | 109.4° |
| O6 | C55 | H89 | 109.1° | 109.5° |
| C55 | O6 | H122 | 109.5° | 114.0° |
| C55 | C54 | C56 | 109.9° | 109.5° |
| C55 | C54 | N1 | 111.0° | 109.5° |
| C55 | C54 | H87 | 107.1° | 109.4° |
| C54 | C55 | H88 | 109.1° | 109.5° |
| C54 | C55 | H89 | 109.1° | 109.5° |
| N2 | C56 | O7 | 123.0° | 120.0° |
| N2 | C56 | C54 | 116.3° | 120.0° |
| C56 | N2 | H115 | 119.2° | 120.0° |
| O2 | C21 | C22 | 125.0° | 120.0° |
| O2 | C21 | O1 | 123.7° | 120.0° |
| C21 | C22 | C23 | 112.8° | 109.5° |
| C22 | C21 | O1 | 111.2° | 120.0° |
| C21 | C22 | H27 | 108.6° | 109.5° |
| C21 | C22 | H28 | 108.6° | 109.5° |
| C22 | C23 | C24 | 112.8° | 109.5° |
| C23 | C22 | H27 | 108.6° | 109.5° |
| C23 | C22 | H28 | 108.6° | 109.5° |
| C22 | C23 | H29 | 108.6° | 109.4° |
| C22 | C23 | H30 | 108.6° | 109.5° |
| O7 | C56 | C54 | 120.7° | 120.0° |
| C56 | C54 | N1 | 113.5° | 109.5° |
| C56 | C54 | H87 | 107.1° | 109.5° |
| C21 | O1 | C20 | 116.9° | 117.0° |
| C23 | C24 | C25 | 113.8° | 109.5° |
| C24 | C23 | H29 | 108.6° | 109.4° |
| C24 | C23 | H30 | 108.6° | 109.5° |
| C23 | C24 | H31 | 108.4° | 109.4° |
| C23 | C24 | H32 | 108.4° | 109.5° |
| C24 | C25 | C26 | 114.2° | 109.5° |
| C25 | C24 | H31 | 108.4° | 109.5° |
| C25 | C24 | H32 | 108.4° | 109.5° |
| C24 | C25 | H33 | 108.3° | 109.5° |
| C24 | C25 | H34 | 108.2° | 109.5° |
| C54 | N1 | C53 | 123.3° | 120.0° |
| N1 | C54 | H87 | 108.0° | 109.5° |
| C54 | N1 | H114 | 118.4° | 120.1° |
| O1 | C20 | C19 | 107.4° | 109.4° |
| O1 | C20 | H25 | 110.0° | 109.4° |
| O1 | C20 | H26 | 110.0° | 109.5° |
| C25 | C26 | C27 | 113.3° | 109.5° |
| C26 | C25 | H33 | 108.3° | 109.5° |
| C26 | C25 | H34 | 108.3° | 109.5° |
| C25 | C26 | H35 | 108.5° | 109.5° |
| C25 | C26 | H36 | 108.5° | 109.5° |
| O5 | C53 | N1 | 123.4° | 120.0° |
| O5 | C53 | C16 | 120.3° | 120.0° |
| N1 | C53 | C16 | 116.2° | 120.0° |
| C53 | N1 | H114 | 118.4° | 119.9° |
| C26 | C27 | C28 | 114.5° | 109.5° |
| C27 | C26 | H35 | 108.5° | 109.4° |
| C27 | C26 | H36 | 108.5° | 109.5° |
| C26 | C27 | H37 | 108.2° | 109.5° |
| C26 | C27 | H38 | 108.2° | 109.5° |
| C20 | C19 | O3 | 107.1° | 109.4° |
| C20 | C19 | C18 | 111.6° | 109.5° |
| C20 | C19 | H22 | 110.0° | 109.5° |
| C19 | C20 | H25 | 110.0° | 109.4° |
| C19 | C20 | H26 | 110.0° | 109.5° |
| C53 | C16 | C17 | 109.2° | 109.5° |
| C53 | C16 | N | 111.1° | 109.5° |
| C53 | C16 | H17 | 108.2° | 109.4° |
| C28 | C29 | C30 | 114.1° | 109.5° |
| C29 | C28 | C27 | 113.6° | 109.5° |
| C29 | C28 | H39 | 108.4° | 109.5° |
| C29 | C28 | H40 | 108.5° | 109.5° |
| C28 | C29 | H41 | 108.3° | 109.4° |
| C28 | C29 | H42 | 108.3° | 109.5° |
| C29 | C30 | C31 | 113.6° | 109.4° |
| C30 | C29 | H41 | 108.3° | 109.5° |
| C30 | C29 | H42 | 108.3° | 109.5° |
| C29 | C30 | H45 | 108.4° | 109.5° |
| C29 | C30 | H46 | 108.4° | 109.5° |
| C28 | C27 | H37 | 108.2° | 109.4° |
| C28 | C27 | H38 | 108.2° | 109.5° |
| C27 | C28 | H39 | 108.5° | 109.4° |
| C27 | C28 | H40 | 108.4° | 109.5° |
| O3 | C19 | C18 | 107.6° | 109.5° |
| C19 | O3 | C37 | 117.4° | 117.0° |
| O3 | C19 | H22 | 110.7° | 109.5° |
| C19 | C18 | S | 113.6° | 109.5° |
| C19 | C18 | H20 | 108.4° | 109.5° |
| C19 | C18 | H21 | 108.4° | 109.5° |
| C18 | C19 | H22 | 109.9° | 109.5° |
| O3 | C37 | C38 | 111.0° | 120.0° |
| O3 | C37 | O4 | 123.8° | 120.0° |
| C16 | C17 | S | 107.4° | 109.5° |
| C17 | C16 | N | 111.0° | 109.5° |
| C17 | C16 | H17 | 108.2° | 109.5° |
| C16 | C17 | H18 | 110.0° | 109.4° |
| C16 | C17 | H19 | 110.0° | 109.5° |
| C17 | S | C18 | 100.2° | 103.0° |
| S | C17 | H18 | 110.0° | 109.5° |
| S | C17 | H19 | 110.0° | 109.5° |
| C16 | N | C15 | 122.1° | 120.0° |
| C16 | N | H1 | 119.0° | 120.0° |
| N | C16 | H17 | 109.2° | 109.4° |
| S | C18 | H20 | 108.4° | 109.4° |
| S | C18 | H21 | 108.4° | 109.5° |
| C30 | C31 | C32 | 114.1° | 109.4° |
| C31 | C30 | H45 | 108.4° | 109.5° |
| C31 | C30 | H46 | 108.4° | 109.4° |
| C30 | C31 | H47 | 108.3° | 109.5° |
| C30 | C31 | H48 | 108.3° | 109.5° |
| N | C15 | O | 122.6° | 120.0° |
| N | C15 | C14 | 115.8° | 120.0° |
| C15 | N | H1 | 119.0° | 120.0° |
| C38 | C37 | O4 | 125.1° | 120.0° |
| C37 | C38 | C39 | 113.1° | 109.4° |
| C37 | C38 | H54 | 108.6° | 109.5° |
| C37 | C38 | H55 | 108.6° | 109.5° |
| C38 | C39 | C40 | 113.3° | 109.4° |
| C39 | C38 | H54 | 108.5° | 109.5° |
| C39 | C38 | H55 | 108.6° | 109.5° |
| C38 | C39 | H56 | 108.5° | 109.5° |
| C38 | C39 | H57 | 108.5° | 109.5° |
| O | C15 | C14 | 121.6° | 120.0° |
| C15 | C14 | C13 | 112.8° | 109.4° |
| C15 | C14 | H15 | 108.6° | 109.5° |
| C15 | C14 | H16 | 108.6° | 109.5° |
| C31 | C32 | C33 | 113.8° | 109.5° |
| C32 | C31 | H47 | 108.3° | 109.5° |
| C32 | C31 | H48 | 108.3° | 109.4° |
| C31 | C32 | H49 | 108.4° | 109.5° |
| C31 | C32 | H50 | 108.4° | 109.5° |
| C33 | C32 | H49 | 108.3° | 109.4° |
| C33 | C32 | H50 | 108.3° | 109.5° |
| C32 | C33 | H51 | 118.2° | 109.5° |
| C32 | C33 | H52 | 118.2° | 109.5° |
| C32 | C33 | C34 | 70.0° | 109.5° |
| C39 | C40 | C41 | 113.4° | 109.4° |
| C40 | C39 | H56 | 108.5° | 109.5° |
| C40 | C39 | H57 | 108.5° | 109.5° |
| C39 | C40 | H60 | 108.5° | 109.5° |
| C39 | C40 | H61 | 108.5° | 109.5° |
| C40 | C41 | C42 | 114.2° | 109.5° |
| C41 | C40 | H60 | 108.5° | 109.5° |
| C41 | C40 | H61 | 108.5° | 109.5° |
| C40 | C41 | H62 | 108.3° | 109.5° |
| C40 | C41 | H63 | 108.3° | 109.5° |
| C14 | C13 | C12 | 113.5° | 109.4° |
| C14 | C13 | H13 | 108.4° | 109.5° |
| C14 | C13 | H14 | 108.5° | 109.4° |
| C13 | C14 | H15 | 108.6° | 109.5° |
| C13 | C14 | H16 | 108.6° | 109.5° |
| C13 | C12 | C11 | 114.1° | 109.4° |
| C13 | C12 | H11 | 108.3° | 109.5° |
| C13 | C12 | H12 | 108.3° | 109.5° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C12 | C13 | H14 | 108.5° | 109.5° |
| C41 | C42 | C43 | 113.7° | 109.5° |
| C42 | C41 | H62 | 108.3° | 109.5° |
| C42 | C41 | H63 | 108.3° | 109.5° |
| C41 | C42 | H64 | 108.4° | 109.5° |
| C41 | C42 | H65 | 108.4° | 109.5° |
| C42 | C43 | C44 | 113.6° | 109.5° |
| C43 | C42 | H64 | 108.4° | 109.5° |
| C43 | C42 | H65 | 108.4° | 109.5° |
| C42 | C43 | H66 | 108.4° | 109.5° |
| C42 | C43 | H67 | 108.4° | 109.5° |
| C43 | C44 | C45 | 113.3° | 109.5° |
| C44 | C43 | H66 | 108.4° | 109.5° |
| C44 | C43 | H67 | 108.4° | 109.5° |
| C43 | C44 | H68 | 108.5° | 109.5° |
| C43 | C44 | H69 | 108.5° | 109.5° |
| C44 | C45 | C46 | 114.1° | 109.5° |
| C45 | C44 | H68 | 108.5° | 109.5° |
| C45 | C44 | H69 | 108.5° | 109.5° |
| C44 | C45 | H70 | 108.3° | 109.5° |
| C44 | C45 | H71 | 108.3° | 109.5° |
| C12 | C11 | C10 | 113.8° | 109.4° |
| C12 | C11 | H9 | 108.4° | 109.4° |
| C12 | C11 | H10 | 108.4° | 109.4° |
| C11 | C12 | H11 | 108.3° | 109.5° |
| C11 | C12 | H12 | 108.3° | 109.5° |
| C8 | C7 | C6 | 114.0° | 109.5° |
| C7 | C8 | C9 | 114.1° | 109.5° |
| C8 | C7 | H106 | 108.3° | 109.5° |
| C8 | C7 | H107 | 108.3° | 109.5° |
| C7 | C8 | H110 | 108.3° | 109.4° |
| C7 | C8 | H111 | 108.3° | 109.5° |
| C7 | C6 | C5 | 113.9° | 109.5° |
| C7 | C6 | H93 | 108.4° | 109.4° |
| C7 | C6 | H94 | 108.4° | 109.4° |
| C6 | C7 | H106 | 108.3° | 109.4° |
| C6 | C7 | H107 | 108.4° | 109.4° |
| C11 | C10 | C9 | 113.6° | 109.4° |
| C11 | C10 | H7 | 108.4° | 109.4° |
| C11 | C10 | H8 | 108.5° | 109.5° |
| C10 | C11 | H9 | 108.4° | 109.5° |
| C10 | C11 | H10 | 108.4° | 109.5° |
| C8 | C9 | C10 | 113.7° | 109.5° |
| C9 | C8 | H110 | 108.3° | 109.5° |
| C9 | C8 | H111 | 108.3° | 109.5° |
| C8 | C9 | H112 | 108.4° | 109.4° |
| C8 | C9 | H113 | 108.4° | 109.4° |
| C45 | C46 | C47 | 113.7° | 109.5° |
| C46 | C45 | H70 | 108.3° | 109.4° |
| C46 | C45 | H71 | 108.3° | 109.5° |
| C45 | C46 | H72 | 108.4° | 109.4° |
| C45 | C46 | H73 | 108.4° | 109.5° |
| C46 | C47 | C48 | 113.9° | 109.5° |
| C47 | C46 | H72 | 108.4° | 109.5° |
| C47 | C46 | H73 | 108.4° | 109.5° |
| C46 | C47 | H74 | 108.4° | 109.5° |
| C46 | C47 | H75 | 108.3° | 109.5° |
| C6 | C5 | C4 | 113.9° | 109.5° |
| C6 | C5 | H80 | 108.4° | 109.5° |
| C6 | C5 | H81 | 108.4° | 109.5° |
| C5 | C6 | H93 | 108.4° | 109.5° |
| C5 | C6 | H94 | 108.3° | 109.5° |
| C5 | C4 | C3 | 114.0° | 109.5° |
| C5 | C4 | H58 | 108.3° | 109.5° |
| C5 | C4 | H59 | 108.3° | 109.5° |
| C4 | C5 | H80 | 108.3° | 109.4° |
| C4 | C5 | H81 | 108.3° | 109.4° |
| C9 | C10 | H7 | 108.4° | 109.5° |
| C9 | C10 | H8 | 108.4° | 109.5° |
| C10 | C9 | H112 | 108.4° | 109.5° |
| C10 | C9 | H113 | 108.4° | 109.5° |
| C50 | C49 | C48 | 113.8° | 109.5° |
| C49 | C50 | C51 | 113.8° | 109.5° |
| C50 | C49 | H78 | 108.4° | 109.4° |
| C50 | C49 | H79 | 108.4° | 109.5° |
| C49 | C50 | H82 | 108.4° | 109.5° |
| C49 | C50 | H83 | 108.4° | 109.6° |
| C49 | C48 | C47 | 113.7° | 109.5° |
| C49 | C48 | H76 | 108.4° | 109.4° |
| C49 | C48 | H77 | 108.4° | 109.5° |
| C48 | C49 | H78 | 108.4° | 109.4° |
| C48 | C49 | H79 | 108.4° | 109.5° |
| C4 | C3 | C2 | 113.8° | 109.5° |
| C4 | C3 | H43 | 108.4° | 109.5° |
| C4 | C3 | H44 | 108.4° | 109.5° |
| C3 | C4 | H58 | 108.3° | 109.4° |
| C3 | C4 | H59 | 108.3° | 109.5° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C3 | C2 | H23 | 108.3° | 109.5° |
| C3 | C2 | H24 | 108.3° | 109.5° |
| C2 | C3 | H43 | 108.4° | 109.5° |
| C2 | C3 | H44 | 108.4° | 109.5° |
| C51 | C50 | H82 | 108.4° | 109.4° |
| C51 | C50 | H83 | 108.3° | 109.5° |
| C50 | C51 | H84 | 111.3° | 109.4° |
| C50 | C51 | H85 | 111.3° | 109.5° |
| C50 | C51 | C52 | 101.9° | 109.4° |
| C48 | C47 | H74 | 108.3° | 109.5° |
| C48 | C47 | H75 | 108.3° | 109.5° |
| C47 | C48 | H76 | 108.4° | 109.5° |
| C47 | C48 | H77 | 108.4° | 109.5° |
| C2 | C1 | C | 113.1° | 109.5° |
| C2 | C1 | H5 | 108.6° | 109.5° |
| C2 | C1 | H6 | 108.5° | 109.5° |
| C1 | C2 | H23 | 108.3° | 109.4° |
| C1 | C2 | H24 | 108.3° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.4° | 109.5° |
| C | C1 | H5 | 108.5° | 109.5° |
| C | C1 | H6 | 108.6° | 109.4° |
| H2 | C | H3 | 109.5° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H3 | C | H4 | 109.5° | 109.4° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.4° | 109.5° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.4° |
| H35 | C26 | H36 | 109.5° | 109.4° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H39 | C28 | H40 | 109.4° | 109.4° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H43 | C3 | H44 | 109.5° | 109.4° |
| H45 | C30 | H46 | 109.5° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.6° |
| H49 | C32 | H50 | 109.5° | 109.5° |
| H51 | C33 | H52 | 109.5° | 109.4° |
| H51 | C33 | C34 | 118.3° | 109.5° |
| H52 | C33 | C34 | 118.2° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.5° |
| H56 | C39 | H57 | 109.5° | 109.5° |
| H58 | C4 | H59 | 109.5° | 109.5° |
| H60 | C40 | H61 | 109.5° | 109.5° |
| H62 | C41 | H63 | 109.4° | 109.5° |
| H64 | C42 | H65 | 109.4° | 109.4° |
| H66 | C43 | H67 | 109.5° | 109.4° |
| H68 | C44 | H69 | 109.5° | 109.4° |
| H70 | C45 | H71 | 109.4° | 109.4° |
| H72 | C46 | H73 | 109.5° | 109.4° |
| H74 | C47 | H75 | 109.5° | 109.4° |
| H76 | C48 | H77 | 109.5° | 109.5° |
| H78 | C49 | H79 | 109.5° | 109.5° |
| H80 | C5 | H81 | 109.5° | 109.5° |
| H82 | C50 | H83 | 109.5° | 109.4° |
| H84 | C51 | H85 | 109.5° | 109.5° |
| H84 | C51 | C52 | 111.4° | 109.5° |
| H85 | C51 | C52 | 111.4° | 109.5° |
| H88 | C55 | H89 | 109.5° | 109.5° |
| H91 | C58 | H92 | 109.5° | 109.5° |
| H93 | C6 | H94 | 109.4° | 109.5° |
| H96 | C61 | H97 | 109.5° | 109.4° |
| H98 | C62 | H99 | 109.5° | 109.5° |
| H100 | C63 | H101 | 109.5° | 109.5° |
| H102 | C64 | H103 | 109.5° | 109.5° |
| H106 | C7 | H107 | 109.5° | 109.5° |
| H110 | C8 | H111 | 109.5° | 109.5° |
| H112 | C9 | H113 | 109.5° | 109.5° |
| H118 | N5 | H119 | 109.5° | 120.0° |
| H120 | N6 | H121 | 120.0° | 120.1° |
| C33 | C34 | C35 | 90.0° | 109.5° |
| C33 | C34 | H53 | 90.0° | 109.5° |
| C33 | C34 | H86 | 90.0° | 109.5° |
| C34 | C35 | C36 | 90.0° | 109.5° |
| C35 | C34 | H53 | 90.0° | 109.5° |
| C35 | C34 | H86 | 90.0° | 109.5° |
| C34 | C35 | H124 | 90.0° | 109.5° |
| C34 | C35 | H125 | 90.0° | 109.5° |
| C36 | C35 | H124 | 90.0° | 109.4° |
| C36 | C35 | H125 | 90.0° | 109.4° |
| C35 | C36 | H126 | 90.0° | 109.5° |
| C35 | C36 | H127 | 90.0° | 109.4° |
| C35 | C36 | H128 | 90.0° | 109.5° |
| C51 | C52 | H129 | 90.0° | 109.5° |
| C51 | C52 | H130 | 90.0° | 109.5° |
| C51 | C52 | H131 | 90.0° | 109.4° |
| H53 | C34 | H86 | 90.0° | 109.4° |
| H124 | C35 | H125 | 90.0° | 109.5° |
| H126 | C36 | H127 | 90.0° | 109.5° |
| H126 | C36 | H128 | 90.0° | 109.5° |
| H127 | C36 | H128 | 90.0° | 109.4° |
| H129 | C52 | H130 | 90.0° | 109.5° |
| H129 | C52 | H131 | 90.0° | 109.5° |
| H130 | C52 | H131 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C70 | C69 | C68 | H105 | 180.0° | 179.8° |
| C69 | C70 | C71 | H108 | 180.0° | 179.8° |
| C70 | C69 | C68 | C67 | 0.1° | 0.0° |
| C69 | C70 | C71 | C66 | 0.0° | 0.5° |
| C70 | C69 | C68 | H104 | 180.0° | 180.0° |
| C69 | C70 | C71 | H109 | 180.0° | 180.0° |
| C68 | C69 | C70 | C71 | 0.1° | 0.2° |
| C69 | C68 | C67 | H104 | 180.0° | 179.9° |
| C69 | C68 | C67 | C66 | 0.1° | 0.0° |
| C69 | C68 | C67 | N5 | 179.8° | 179.9° |
| C68 | C69 | C70 | H108 | 179.9° | 180.0° |
| C70 | C71 | C66 | H109 | 180.0° | 179.5° |
| C70 | C71 | C66 | C67 | 0.1° | 0.6° |
| C70 | C71 | C66 | C65 | 179.7° | 179.7° |
| C71 | C70 | C69 | H105 | 179.9° | 180.0° |
| C68 | C67 | C66 | C71 | 0.2° | 0.3° |
| C68 | C67 | C66 | N5 | 179.8° | 180.0° |
| C68 | C67 | C66 | C65 | 179.7° | 180.0° |
| C67 | C68 | C69 | H105 | 180.0° | 179.7° |
| C68 | C67 | N5 | H118 | 180.0° | 174.4° |
| C68 | C67 | N5 | H119 | 60.0° | 5.5° |
| C71 | C66 | C67 | C65 | 179.9° | 179.7° |
| C71 | C66 | C67 | N5 | 179.7° | 179.8° |
| C71 | C66 | C65 | O10 | 56.2° | 174.1° |
| C71 | C66 | C65 | N4 | 123.8° | 5.9° |
| C66 | C71 | C70 | H108 | 180.0° | 179.7° |
| C67 | C66 | C65 | O10 | 124.0° | 5.6° |
| C67 | C66 | C65 | N4 | 56.0° | 174.4° |
| C66 | C67 | C68 | H104 | 179.9° | 179.9° |
| C67 | C66 | C71 | H109 | 179.9° | 179.9° |
| C66 | C67 | N5 | H118 | 0.2° | 5.6° |
| C66 | C67 | N5 | H119 | 119.9° | 174.5° |
| N5 | C67 | C66 | C65 | 0.5° | 0.1° |
| N5 | C67 | C68 | H104 | 0.3° | 0.0° |
| C67 | N5 | H118 | H119 | 120.0° | 179.9° |
| C66 | C65 | O10 | N4 | 180.0° | 180.0° |
| C66 | C65 | N4 | C64 | 148.9° | 180.0° |
| C65 | C66 | C71 | H109 | 0.3° | 0.2° |
| C66 | C65 | N4 | H117 | 31.1° | 0.0° |
| O10 | C65 | N4 | C64 | 31.1° | 0.0° |
| O10 | C65 | N4 | H117 | 148.9° | 180.0° |
| C65 | N4 | C64 | H117 | 180.0° | 180.0° |
| C65 | N4 | C64 | C63 | 132.2° | 180.0° |
| C65 | N4 | C64 | H102 | 107.5° | 59.9° |
| C65 | N4 | C64 | H103 | 11.7° | 60.0° |
| N4 | C64 | C63 | H102 | 120.4° | 120.1° |
| N4 | C64 | C63 | H103 | 120.4° | 119.9° |
| N4 | C64 | C63 | C62 | 169.4° | 180.0° |
| N4 | C64 | C63 | H100 | 48.8° | 60.0° |
| N4 | C64 | C63 | H101 | 70.1° | 60.0° |
| N4 | C64 | H102 | H103 | 118.8° | 119.9° |
| C64 | C63 | C62 | H100 | 120.6° | 120.0° |
| C64 | C63 | C62 | H101 | 120.6° | 120.0° |
| C64 | C63 | C62 | C61 | 63.6° | 180.0° |
| C64 | C63 | C62 | H98 | 175.8° | 60.0° |
| C64 | C63 | C62 | H99 | 57.0° | 60.0° |
| C64 | C63 | H100 | H101 | 118.3° | 120.0° |
| C63 | C64 | H102 | H103 | 118.7° | 120.0° |
| C63 | C64 | N4 | H117 | 47.8° | 0.0° |
| C63 | C62 | C61 | H98 | 120.6° | 120.0° |
| C63 | C62 | C61 | H99 | 120.6° | 120.0° |
| C63 | C62 | C61 | C60 | 172.1° | 180.0° |
| C63 | C62 | C61 | H96 | 51.6° | 60.0° |
| C63 | C62 | C61 | H97 | 67.4° | 60.0° |
| C63 | C62 | H98 | H99 | 118.1° | 120.0° |
| C62 | C63 | H100 | H101 | 118.3° | 120.0° |
| C62 | C63 | C64 | H102 | 70.2° | 59.9° |
| C62 | C63 | C64 | H103 | 48.9° | 60.0° |
| N6 | C72 | C60 | C61 | 39.4° | 60.0° |
| N6 | C72 | O11 | C60 | 180.0° | 180.0° |
| N6 | C72 | C60 | N3 | 82.6° | 180.0° |
| N6 | C72 | C60 | H95 | 157.9° | 60.1° |
| C72 | N6 | H120 | H121 | 180.0° | 180.0° |
| C62 | C61 | C60 | H96 | 120.5° | 120.0° |
| C62 | C61 | C60 | H97 | 120.5° | 120.0° |
| C62 | C61 | C60 | C72 | 179.1° | 175.0° |
| C62 | C61 | C60 | N3 | 57.5° | 65.0° |
| C62 | C61 | C60 | H95 | 62.3° | 55.0° |
| C62 | C61 | H96 | H97 | 118.5° | 120.0° |
| C61 | C62 | H98 | H99 | 118.0° | 120.0° |
| C61 | C62 | C63 | H100 | 57.0° | 60.0° |
| C61 | C62 | C63 | H101 | 175.8° | 60.0° |
| C61 | C60 | C72 | O11 | 140.6° | 120.0° |
| C61 | C60 | C72 | N3 | 122.0° | 120.0° |
| C61 | C60 | C72 | H95 | 118.5° | 120.1° |
| C61 | C60 | N3 | H95 | 119.3° | 120.0° |
| C61 | C60 | N3 | C59 | 154.3° | 154.9° |
| C60 | C61 | H96 | H97 | 118.5° | 120.0° |
| C60 | C61 | C62 | H98 | 67.2° | 60.0° |
| C60 | C61 | C62 | H99 | 51.5° | 60.0° |
| C61 | C60 | N3 | H116 | 25.8° | 25.0° |
| O11 | C72 | C60 | N3 | 97.4° | 0.0° |
| O11 | C72 | C60 | H95 | 22.1° | 119.9° |
| O11 | C72 | N6 | H120 | 0.0° | 0.0° |
| O11 | C72 | N6 | H121 | 180.0° | 180.0° |
| C72 | C60 | N3 | H95 | 118.9° | 119.9° |
| C72 | C60 | N3 | C59 | 32.4° | 85.1° |
| C72 | C60 | C61 | H96 | 58.6° | 55.0° |
| C72 | C60 | C61 | H97 | 60.4° | 64.9° |
| C72 | C60 | N3 | H116 | 147.6° | 95.0° |
| C60 | C72 | N6 | H120 | 180.0° | 180.0° |
| C60 | C72 | N6 | H121 | 0.0° | 0.0° |
| C60 | N3 | C59 | H116 | 180.0° | 179.9° |
| C60 | N3 | C59 | C57 | 134.7° | 180.0° |
| C60 | N3 | C59 | O9 | 45.8° | 0.1° |
| N3 | C60 | C61 | H96 | 63.0° | 174.9° |
| N3 | C60 | C61 | H97 | 178.0° | 55.0° |
| O8 | C58 | C57 | H91 | 120.2° | 120.0° |
| O8 | C58 | C57 | H92 | 120.2° | 119.9° |
| O8 | C58 | C57 | C59 | 62.9° | 55.0° |
| O8 | C58 | C57 | N2 | 173.9° | 65.0° |
| O8 | C58 | C57 | H90 | 54.6° | 175.0° |
| O8 | C58 | H91 | H92 | 119.3° | 119.9° |
| N3 | C59 | C57 | C58 | 109.1° | 60.0° |
| N3 | C59 | C57 | O9 | 179.5° | 179.9° |
| N3 | C59 | C57 | N2 | 127.9° | 180.0° |
| N3 | C59 | C57 | H90 | 8.4° | 60.1° |
| C59 | N3 | C60 | H95 | 86.5° | 34.9° |
| C58 | C57 | C59 | N2 | 123.0° | 120.0° |
| C58 | C57 | C59 | H90 | 117.5° | 120.1° |
| C58 | C57 | C59 | O9 | 71.4° | 120.0° |
| C58 | C57 | N2 | H90 | 118.7° | 120.0° |
| C58 | C57 | N2 | C56 | 75.6° | 85.0° |
| C57 | C58 | H91 | H92 | 119.4° | 120.0° |
| C58 | C57 | N2 | H115 | 104.4° | 95.0° |
| C57 | C58 | O8 | H123 | 180.0° | 180.0° |
| C59 | C57 | N2 | H90 | 118.9° | 119.9° |
| C59 | C57 | N2 | C56 | 162.0° | 155.0° |
| C59 | C57 | C58 | H91 | 176.9° | 175.0° |
| C59 | C57 | C58 | H92 | 57.3° | 65.0° |
| C59 | C57 | N2 | H115 | 18.0° | 25.1° |
| C57 | C59 | N3 | H116 | 45.3° | 0.1° |
| O9 | C59 | C57 | N2 | 51.6° | 0.1° |
| O9 | C59 | C57 | H90 | 171.1° | 120.0° |
| O9 | C59 | N3 | H116 | 134.1° | 180.0° |
| C57 | N2 | C56 | H115 | 180.0° | 179.9° |
| C57 | N2 | C56 | O7 | 90.2° | 0.0° |
| C57 | N2 | C56 | C54 | 89.3° | 180.0° |
| N2 | C57 | C58 | H91 | 53.7° | 55.0° |
| N2 | C57 | C58 | H92 | 65.8° | 175.0° |
| O6 | C55 | C54 | H88 | 120.2° | 119.9° |
| O6 | C55 | C54 | H89 | 120.2° | 120.0° |
| O6 | C55 | C54 | C56 | 176.8° | 55.1° |
| O6 | C55 | C54 | N1 | 50.4° | 65.0° |
| O6 | C55 | C54 | H87 | 67.3° | 175.0° |
| O6 | C55 | H88 | H89 | 119.3° | 120.0° |
| C55 | C54 | C56 | N2 | 102.0° | 59.9° |
| C55 | C54 | C56 | O7 | 77.5° | 120.0° |
| C55 | C54 | C56 | N1 | 125.0° | 120.1° |
| C55 | C54 | C56 | H87 | 116.0° | 120.0° |
| C55 | C54 | N1 | H87 | 117.1° | 120.0° |
| C55 | C54 | N1 | C53 | 68.5° | 85.0° |
| C54 | C55 | H88 | H89 | 119.4° | 120.1° |
| C55 | C54 | N1 | H114 | 111.5° | 95.1° |
| C54 | C55 | O6 | H122 | 180.0° | 180.0° |
| N2 | C56 | O7 | C54 | 179.5° | 180.0° |
| N2 | C56 | C54 | N1 | 133.0° | 180.0° |
| N2 | C56 | C54 | H87 | 14.0° | 60.0° |
| C56 | N2 | C57 | H90 | 43.1° | 35.1° |
| O2 | C21 | C22 | O1 | 179.3° | 180.0° |
| O2 | C21 | C22 | C23 | 102.0° | 0.0° |
| O2 | C21 | O1 | C20 | 4.6° | 0.0° |
| O2 | C21 | C22 | H27 | 137.5° | 120.0° |
| O2 | C21 | C22 | H28 | 18.5° | 120.0° |
| C21 | C22 | C23 | H27 | 120.5° | 120.0° |
| C21 | C22 | C23 | H28 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 175.8° | 180.0° |
| C22 | C21 | O1 | C20 | 174.7° | 180.0° |
| C21 | C22 | H27 | H28 | 118.5° | 120.0° |
| C21 | C22 | C23 | H29 | 63.7° | 60.0° |
| C21 | C22 | C23 | H30 | 55.3° | 60.0° |
| C23 | C22 | C21 | O1 | 77.3° | 180.0° |
| C22 | C23 | C24 | H29 | 120.5° | 120.0° |
| C22 | C23 | C24 | H30 | 120.5° | 120.1° |
| C22 | C23 | C24 | C25 | 154.3° | 180.0° |
| C23 | C22 | H27 | H28 | 118.4° | 120.0° |
| C22 | C23 | H29 | H30 | 118.4° | 120.0° |
| C22 | C23 | C24 | H31 | 33.7° | 60.0° |
| C22 | C23 | C24 | H32 | 85.0° | 60.0° |
| O7 | C56 | C54 | N1 | 47.4° | 0.0° |
| O7 | C56 | C54 | H87 | 166.5° | 120.0° |
| O7 | C56 | N2 | H115 | 89.8° | 180.0° |
| C56 | C54 | N1 | H87 | 118.5° | 120.0° |
| C56 | C54 | N1 | C53 | 55.9° | 155.0° |
| C56 | C54 | C55 | H88 | 56.6° | 175.0° |
| C56 | C54 | C55 | H89 | 63.0° | 64.9° |
| C56 | C54 | N1 | H114 | 124.1° | 25.0° |
| C54 | C56 | N2 | H115 | 90.7° | 0.1° |
| C21 | O1 | C20 | C19 | 122.2° | 180.0° |
| C21 | O1 | C20 | H25 | 2.5° | 60.1° |
| C21 | O1 | C20 | H26 | 118.2° | 60.0° |
| O1 | C21 | C22 | H27 | 43.2° | 60.0° |
| O1 | C21 | C22 | H28 | 162.2° | 60.0° |
| C23 | C24 | C25 | H31 | 120.7° | 120.0° |
| C23 | C24 | C25 | H32 | 120.7° | 120.0° |
| C23 | C24 | C25 | C26 | 67.9° | 180.0° |
| C24 | C23 | C22 | H27 | 55.2° | 60.0° |
| C24 | C23 | C22 | H28 | 63.7° | 59.9° |
| C24 | C23 | H29 | H30 | 118.5° | 120.0° |
| C23 | C24 | H31 | H32 | 118.0° | 120.0° |
| C23 | C24 | C25 | H33 | 52.7° | 60.0° |
| C23 | C24 | C25 | H34 | 171.4° | 60.0° |
| C24 | C25 | C26 | H33 | 120.7° | 120.0° |
| C24 | C25 | C26 | H34 | 120.7° | 120.0° |
| C24 | C25 | C26 | C27 | 176.6° | 180.0° |
| C25 | C24 | C23 | H29 | 85.2° | 60.0° |
| C25 | C24 | C23 | H30 | 33.9° | 60.0° |
| C25 | C24 | H31 | H32 | 118.0° | 120.0° |
| C24 | C25 | H33 | H34 | 117.8° | 120.0° |
| C24 | C25 | C26 | H35 | 62.8° | 60.0° |
| C24 | C25 | C26 | H36 | 56.0° | 60.0° |
| C54 | N1 | C53 | O5 | 47.5° | 0.0° |
| C54 | N1 | C53 | H114 | 180.0° | 180.0° |
| C54 | N1 | C53 | C16 | 133.1° | 179.9° |
| N1 | C54 | C55 | H88 | 69.8° | 54.9° |
| N1 | C54 | C55 | H89 | 170.6° | 175.0° |
| O1 | C20 | C19 | H25 | 119.7° | 119.9° |
| O1 | C20 | C19 | H26 | 119.7° | 120.0° |
| O1 | C20 | C19 | O3 | 31.5° | 65.0° |
| O1 | C20 | C19 | C18 | 148.9° | 175.0° |
| O1 | C20 | C19 | H22 | 88.9° | 55.0° |
| O1 | C20 | H25 | H26 | 120.9° | 120.0° |
| C25 | C26 | C27 | H35 | 120.6° | 120.0° |
| C25 | C26 | C27 | H36 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 169.6° | 180.0° |
| C26 | C25 | C24 | H31 | 171.4° | 60.0° |
| C26 | C25 | C24 | H32 | 52.7° | 60.0° |
| C26 | C25 | H33 | H34 | 117.9° | 120.0° |
| C25 | C26 | H35 | H36 | 118.2° | 120.0° |
| C25 | C26 | C27 | H37 | 69.7° | 60.0° |
| C25 | C26 | C27 | H38 | 48.9° | 60.0° |
| O5 | C53 | N1 | C16 | 179.4° | 179.9° |
| O5 | C53 | C16 | C17 | 117.1° | 100.0° |
| O5 | C53 | C16 | N | 5.6° | 20.1° |
| O5 | C53 | C16 | H17 | 125.4° | 140.0° |
| O5 | C53 | N1 | H114 | 132.5° | 180.0° |
| N1 | C53 | C16 | C17 | 63.5° | 79.9° |
| N1 | C53 | C16 | N | 173.8° | 160.0° |
| N1 | C53 | C16 | H17 | 54.0° | 40.1° |
| C53 | N1 | C54 | H87 | 174.4° | 35.0° |
| C26 | C27 | C28 | C29 | 103.9° | 180.0° |
| C26 | C27 | C28 | H37 | 120.7° | 120.0° |
| C26 | C27 | C28 | H38 | 120.8° | 120.0° |
| C27 | C26 | C25 | H33 | 55.9° | 60.0° |
| C27 | C26 | C25 | H34 | 62.7° | 60.0° |
| C27 | C26 | H35 | H36 | 118.2° | 120.0° |
| C26 | C27 | H37 | H38 | 117.7° | 120.0° |
| C26 | C27 | C28 | H39 | 135.5° | 60.0° |
| C26 | C27 | C28 | H40 | 16.7° | 59.9° |
| C20 | C19 | O3 | C18 | 120.0° | 120.0° |
| C20 | C19 | O3 | H22 | 119.9° | 120.0° |
| C20 | C19 | C18 | H22 | 122.3° | 120.0° |
| C20 | C19 | O3 | C37 | 158.6° | 90.0° |
| C20 | C19 | C18 | S | 57.8° | 179.9° |
| C20 | C19 | C18 | H20 | 178.4° | 60.0° |
| C20 | C19 | C18 | H21 | 62.8° | 60.0° |
| C19 | C20 | H25 | H26 | 120.9° | 120.1° |
| C53 | C16 | C17 | N | 122.8° | 120.0° |
| C53 | C16 | C17 | H17 | 117.5° | 120.0° |
| C53 | C16 | C17 | S | 110.0° | 180.0° |
| C53 | C16 | N | H17 | 119.2° | 119.9° |
| C53 | C16 | N | C15 | 124.7° | 60.1° |
| C53 | C16 | N | H1 | 55.3° | 119.7° |
| C53 | C16 | C17 | H18 | 9.7° | 60.0° |
| C53 | C16 | C17 | H19 | 130.4° | 60.0° |
| C16 | C53 | N1 | H114 | 46.9° | 0.1° |
| C28 | C29 | C30 | H41 | 120.7° | 120.0° |
| C28 | C29 | C30 | H42 | 120.7° | 120.0° |
| C29 | C28 | C27 | H39 | 120.6° | 120.0° |
| C29 | C28 | C27 | H40 | 120.6° | 120.1° |
| C28 | C29 | C30 | C31 | 60.6° | 180.0° |
| C29 | C28 | C27 | H37 | 135.4° | 60.0° |
| C29 | C28 | C27 | H38 | 16.9° | 60.0° |
| C29 | C28 | H39 | H40 | 118.1° | 120.0° |
| C28 | C29 | H41 | H42 | 117.9° | 120.0° |
| C28 | C29 | C30 | H45 | 178.8° | 60.0° |
| C28 | C29 | C30 | H46 | 60.0° | 60.0° |
| C30 | C29 | C28 | C27 | 156.5° | 180.0° |
| C29 | C30 | C31 | H45 | 120.6° | 120.0° |
| C29 | C30 | C31 | H46 | 120.6° | 119.9° |
| C29 | C30 | C31 | C32 | 173.7° | 180.0° |
| C30 | C29 | C28 | H39 | 35.9° | 60.0° |
| C30 | C29 | C28 | H40 | 82.9° | 60.0° |
| C30 | C29 | H41 | H42 | 117.9° | 120.1° |
| C29 | C30 | H45 | H46 | 118.1° | 120.0° |
| C29 | C30 | C31 | H47 | 65.7° | 60.0° |
| C29 | C30 | C31 | H48 | 53.0° | 60.1° |
| C28 | C27 | C26 | H35 | 49.0° | 60.0° |
| C28 | C27 | C26 | H36 | 69.8° | 59.9° |
| C28 | C27 | H37 | H38 | 117.7° | 120.0° |
| C27 | C28 | H39 | H40 | 118.1° | 120.0° |
| C27 | C28 | C29 | H41 | 35.8° | 60.0° |
| C27 | C28 | C29 | H42 | 82.8° | 60.0° |
| O3 | C19 | C18 | H22 | 120.5° | 120.0° |
| O3 | C19 | C18 | S | 175.0° | 60.0° |
| C19 | O3 | C37 | C38 | 94.4° | 180.0° |
| C19 | O3 | C37 | O4 | 85.3° | 0.0° |
| O3 | C19 | C18 | H20 | 64.4° | 60.0° |
| O3 | C19 | C18 | H21 | 54.4° | 179.9° |
| O3 | C19 | C20 | H25 | 88.2° | 175.0° |
| O3 | C19 | C20 | H26 | 151.2° | 54.9° |
| C18 | C19 | O3 | C37 | 81.3° | 150.0° |
| C19 | C18 | S | C17 | 153.1° | 180.0° |
| C19 | C18 | S | H20 | 120.6° | 120.0° |
| C19 | C18 | S | H21 | 120.6° | 120.0° |
| C19 | C18 | H20 | H21 | 118.1° | 120.0° |
| C18 | C19 | C20 | H25 | 29.2° | 55.1° |
| C18 | C19 | C20 | H26 | 91.4° | 65.0° |
| O3 | C37 | C38 | O4 | 179.8° | 179.9° |
| O3 | C37 | C38 | C39 | 174.5° | 180.0° |
| C37 | O3 | C19 | H22 | 38.7° | 30.0° |
| O3 | C37 | C38 | H54 | 65.0° | 60.1° |
| O3 | C37 | C38 | H55 | 54.0° | 60.0° |
| C16 | C17 | S | H18 | 119.7° | 120.0° |
| C16 | C17 | S | H19 | 119.7° | 120.0° |
| C17 | C16 | N | H17 | 119.1° | 120.0° |
| C16 | C17 | S | C18 | 172.9° | 180.0° |
| C17 | C16 | N | C15 | 113.6° | 60.0° |
| C17 | C16 | N | H1 | 66.4° | 120.2° |
| C16 | C17 | H18 | H19 | 121.0° | 119.9° |
| S | C17 | C16 | N | 12.8° | 60.0° |
| S | C17 | C16 | H17 | 132.5° | 60.0° |
| S | C17 | H18 | H19 | 121.0° | 120.0° |
| C17 | S | C18 | H20 | 86.3° | 60.0° |
| C17 | S | C18 | H21 | 32.5° | 59.9° |
| C16 | N | C15 | H1 | 180.0° | 179.8° |
| C16 | N | C15 | O | 75.9° | 0.2° |
| C16 | N | C15 | C14 | 104.2° | 179.7° |
| N | C16 | C17 | H18 | 132.5° | 60.0° |
| N | C16 | C17 | H19 | 106.9° | 180.0° |
| C18 | S | C17 | H18 | 67.4° | 60.0° |
| C18 | S | C17 | H19 | 53.2° | 60.0° |
| S | C18 | H20 | H21 | 118.1° | 120.0° |
| S | C18 | C19 | H22 | 64.5° | 60.0° |
| C30 | C31 | C32 | H47 | 120.6° | 120.0° |
| C30 | C31 | C32 | H48 | 120.7° | 119.9° |
| C30 | C31 | C32 | C33 | 62.3° | 180.0° |
| C31 | C30 | C29 | H41 | 60.1° | 60.0° |
| C31 | C30 | C29 | H42 | 178.7° | 60.1° |
| C31 | C30 | H45 | H46 | 118.1° | 120.0° |
| C30 | C31 | H47 | H48 | 117.9° | 120.0° |
| C30 | C31 | C32 | H49 | 58.3° | 60.0° |
| C30 | C31 | C32 | H50 | 177.0° | 60.1° |
| N | C15 | O | C14 | 179.9° | 180.0° |
| N | C15 | C14 | C13 | 75.5° | 180.0° |
| N | C15 | C14 | H15 | 164.0° | 60.0° |
| N | C15 | C14 | H16 | 45.0° | 60.0° |
| C15 | N | C16 | H17 | 5.5° | 180.0° |
| C37 | C38 | C39 | H54 | 120.6° | 120.0° |
| C37 | C38 | C39 | H55 | 120.6° | 120.0° |
| C37 | C38 | C39 | C40 | 71.2° | 180.0° |
| C37 | C38 | H54 | H55 | 118.4° | 120.1° |
| C37 | C38 | C39 | H56 | 49.4° | 60.0° |
| C37 | C38 | C39 | H57 | 168.3° | 60.0° |
| O4 | C37 | C38 | C39 | 5.7° | 0.0° |
| O4 | C37 | C38 | H54 | 114.8° | 120.0° |
| O4 | C37 | C38 | H55 | 126.3° | 119.9° |
| C38 | C39 | C40 | H56 | 120.6° | 120.0° |
| C38 | C39 | C40 | H57 | 120.6° | 120.0° |
| C38 | C39 | C40 | C41 | 177.8° | 180.0° |
| C39 | C38 | H54 | H55 | 118.3° | 120.0° |
| C38 | C39 | H56 | H57 | 118.2° | 120.0° |
| C38 | C39 | C40 | H60 | 57.2° | 60.0° |
| C38 | C39 | C40 | H61 | 61.6° | 60.0° |
| O | C15 | C14 | C13 | 104.6° | 0.0° |
| O | C15 | N | H1 | 104.1° | 180.0° |
| O | C15 | C14 | H15 | 15.9° | 120.0° |
| O | C15 | C14 | H16 | 134.9° | 120.0° |
| C15 | C14 | C13 | H15 | 120.5° | 120.0° |
| C15 | C14 | C13 | H16 | 120.5° | 120.0° |
| C15 | C14 | C13 | C12 | 145.5° | 180.0° |
| C14 | C15 | N | H1 | 75.8° | 0.0° |
| C15 | C14 | C13 | H13 | 93.9° | 60.0° |
| C15 | C14 | C13 | H14 | 24.9° | 60.0° |
| C15 | C14 | H15 | H16 | 118.5° | 120.0° |
| C31 | C32 | C33 | H49 | 120.6° | 120.0° |
| C31 | C32 | C33 | H50 | 120.7° | 120.0° |
| C32 | C31 | C30 | H45 | 53.1° | 60.0° |
| C32 | C31 | C30 | H46 | 65.7° | 60.0° |
| C32 | C31 | H47 | H48 | 117.9° | 120.0° |
| C31 | C32 | H49 | H50 | 118.1° | 120.1° |
| C31 | C32 | C33 | H51 | 150.9° | 60.0° |
| C31 | C32 | C33 | H52 | 15.1° | 60.0° |
| C31 | C32 | C33 | C34 | 97.0° | 180.0° |
| C33 | C32 | C31 | H47 | 177.0° | 60.1° |
| C33 | C32 | C31 | H48 | 58.3° | 60.0° |
| C33 | C32 | H49 | H50 | 118.0° | 120.0° |
| C32 | C33 | H51 | H52 | 139.4° | 120.0° |
| C32 | C33 | H51 | C34 | 81.2° | 120.0° |
| C32 | C33 | H52 | C34 | 81.2° | 120.0° |
| C32 | C33 | C34 | C35 | 90.0° | NaN° |
| C32 | C33 | C34 | H53 | 90.0° | 60.0° |
| C32 | C33 | C34 | H86 | 90.0° | 60.0° |
| C39 | C40 | C41 | H60 | 120.6° | 120.0° |
| C39 | C40 | C41 | H61 | 120.6° | 120.0° |
| C39 | C40 | C41 | C42 | 166.2° | 180.0° |
| C40 | C39 | C38 | H54 | 168.3° | 60.0° |
| C40 | C39 | C38 | H55 | 49.4° | 60.0° |
| C40 | C39 | H56 | H57 | 118.3° | 120.1° |
| C39 | C40 | H60 | H61 | 118.2° | 120.1° |
| C39 | C40 | C41 | H62 | 73.1° | 60.0° |
| C39 | C40 | C41 | H63 | 45.5° | 60.0° |
| C40 | C41 | C42 | H62 | 120.7° | 120.0° |
| C40 | C41 | C42 | H63 | 120.7° | 120.0° |
| C40 | C41 | C42 | C43 | 125.2° | 180.0° |
| C41 | C40 | C39 | H56 | 61.6° | 60.0° |
| C41 | C40 | C39 | H57 | 57.2° | 60.0° |
| C41 | C40 | H60 | H61 | 118.2° | 120.0° |
| C40 | C41 | H62 | H63 | 117.8° | 120.0° |
| C40 | C41 | C42 | H64 | 4.6° | 60.0° |
| C40 | C41 | C42 | H65 | 114.1° | 60.0° |
| C14 | C13 | C12 | H13 | 120.6° | 120.0° |
| C14 | C13 | C12 | H14 | 120.6° | 120.0° |
| C14 | C13 | C12 | C11 | 56.8° | 180.0° |
| C14 | C13 | C12 | H11 | 177.5° | 60.0° |
| C14 | C13 | C12 | H12 | 63.9° | 60.0° |
| C14 | C13 | H13 | H14 | 118.2° | 119.9° |
| C13 | C14 | H15 | H16 | 118.5° | 120.1° |
| C13 | C12 | C11 | H11 | 120.7° | 120.0° |
| C13 | C12 | C11 | H12 | 120.7° | 120.0° |
| C13 | C12 | C11 | C10 | 152.9° | 180.0° |
| C13 | C12 | C11 | H9 | 86.4° | 60.0° |
| C13 | C12 | C11 | H10 | 32.3° | 60.0° |
| C13 | C12 | H11 | H12 | 117.9° | 120.0° |
| C12 | C13 | H13 | H14 | 118.2° | 120.1° |
| C12 | C13 | C14 | H15 | 25.1° | 60.0° |
| C12 | C13 | C14 | H16 | 94.0° | 60.0° |
| C41 | C42 | C43 | H64 | 120.6° | 120.0° |
| C41 | C42 | C43 | H65 | 120.6° | 120.0° |
| C41 | C42 | C43 | C44 | 152.8° | 180.0° |
| C42 | C41 | C40 | H60 | 45.6° | 60.0° |
| C42 | C41 | C40 | H61 | 73.2° | 60.0° |
| C42 | C41 | H62 | H63 | 117.8° | 120.0° |
| C41 | C42 | H64 | H65 | 118.0° | 120.0° |
| C41 | C42 | C43 | H66 | 32.2° | 60.0° |
| C41 | C42 | C43 | H67 | 86.6° | 60.0° |
| C42 | C43 | C44 | H66 | 120.6° | 120.0° |
| C42 | C43 | C44 | H67 | 120.6° | 120.0° |
| C42 | C43 | C44 | C45 | 60.2° | 180.0° |
| C43 | C42 | C41 | H62 | 114.1° | 60.0° |
| C43 | C42 | C41 | H63 | 4.5° | 60.0° |
| C43 | C42 | H64 | H65 | 118.1° | 120.0° |
| C42 | C43 | H66 | H67 | 118.1° | 120.0° |
| C42 | C43 | C44 | H68 | 179.3° | 60.0° |
| C42 | C43 | C44 | H69 | 60.4° | 60.0° |
| C43 | C44 | C45 | H68 | 120.6° | 120.0° |
| C43 | C44 | C45 | H69 | 120.6° | 120.0° |
| C43 | C44 | C45 | C46 | 177.1° | 180.0° |
| C44 | C43 | C42 | H64 | 86.5° | 60.0° |
| C44 | C43 | C42 | H65 | 32.2° | 60.0° |
| C44 | C43 | H66 | H67 | 118.1° | 120.0° |
| C43 | C44 | H68 | H69 | 118.3° | 120.0° |
| C43 | C44 | C45 | H70 | 56.4° | 60.0° |
| C43 | C44 | C45 | H71 | 62.2° | 60.0° |
| C44 | C45 | C46 | H70 | 120.7° | 120.0° |
| C44 | C45 | C46 | H71 | 120.7° | 120.0° |
| C44 | C45 | C46 | C47 | 179.1° | 180.0° |
| C45 | C44 | C43 | H66 | 60.5° | 60.0° |
| C45 | C44 | C43 | H67 | 179.2° | 60.0° |
| C45 | C44 | H68 | H69 | 118.3° | 120.0° |
| C44 | C45 | H70 | H71 | 117.9° | 120.0° |
| C44 | C45 | C46 | H72 | 58.5° | 60.0° |
| C44 | C45 | C46 | H73 | 60.2° | 60.0° |
| C12 | C11 | C10 | H9 | 120.6° | 120.0° |
| C12 | C11 | C10 | H10 | 120.6° | 119.9° |
| C12 | C11 | C10 | C9 | 67.3° | 180.0° |
| C12 | C11 | C10 | H7 | 53.3° | 60.0° |
| C12 | C11 | C10 | H8 | 172.1° | 59.9° |
| C12 | C11 | H9 | H10 | 118.0° | 119.9° |
| C11 | C12 | H11 | H12 | 117.9° | 120.1° |
| C11 | C12 | C13 | H13 | 63.8° | 60.0° |
| C11 | C12 | C13 | H14 | 177.4° | 60.0° |
| C8 | C7 | C6 | H106 | 120.7° | 120.0° |
| C8 | C7 | C6 | H107 | 120.7° | 120.0° |
| C7 | C8 | C9 | H110 | 120.7° | 120.0° |
| C7 | C8 | C9 | H111 | 120.7° | 120.0° |
| C8 | C7 | C6 | C5 | 173.2° | 180.0° |
| C7 | C8 | C9 | C10 | 176.9° | 180.0° |
| C8 | C7 | C6 | H93 | 66.1° | 60.0° |
| C8 | C7 | C6 | H94 | 52.5° | 60.0° |
| C8 | C7 | H106 | H107 | 117.9° | 120.0° |
| C7 | C8 | H110 | H111 | 117.9° | 120.0° |
| C7 | C8 | C9 | H112 | 62.5° | 60.0° |
| C7 | C8 | C9 | H113 | 56.3° | 60.0° |
| C6 | C7 | C8 | C9 | 60.6° | 180.0° |
| C7 | C6 | C5 | H93 | 120.7° | 120.0° |
| C7 | C6 | C5 | H94 | 120.7° | 120.0° |
| C7 | C6 | C5 | C4 | 128.1° | 180.0° |
| C7 | C6 | C5 | H80 | 111.3° | 60.0° |
| C7 | C6 | C5 | H81 | 7.5° | 60.0° |
| C7 | C6 | H93 | H94 | 118.0° | 119.9° |
| C6 | C7 | H106 | H107 | 118.0° | 119.9° |
| C6 | C7 | C8 | H110 | 178.7° | 60.0° |
| C6 | C7 | C8 | H111 | 60.1° | 60.0° |
| C11 | C10 | C9 | C8 | 59.9° | 180.0° |
| C11 | C10 | C9 | H7 | 120.6° | 119.9° |
| C11 | C10 | C9 | H8 | 120.6° | 120.1° |
| C11 | C10 | H7 | H8 | 118.1° | 120.0° |
| C10 | C11 | H9 | H10 | 118.1° | 120.1° |
| C10 | C11 | C12 | H11 | 32.2° | 60.0° |
| C10 | C11 | C12 | H12 | 86.4° | 60.1° |
| C11 | C10 | C9 | H112 | 179.5° | 60.1° |
| C11 | C10 | C9 | H113 | 60.8° | 60.0° |
| C8 | C9 | C10 | H112 | 120.6° | 120.0° |
| C8 | C9 | C10 | H113 | 120.6° | 120.0° |
| C8 | C9 | C10 | H7 | 179.6° | 60.0° |
| C8 | C9 | C10 | H8 | 60.8° | 60.0° |
| C9 | C8 | C7 | H106 | 178.7° | 60.0° |
| C9 | C8 | C7 | H107 | 60.0° | 60.0° |
| C9 | C8 | H110 | H111 | 117.9° | 120.0° |
| C8 | C9 | H112 | H113 | 118.1° | 119.9° |
| C45 | C46 | C47 | H72 | 120.6° | 120.0° |
| C45 | C46 | C47 | H73 | 120.6° | 120.0° |
| C45 | C46 | C47 | C48 | 176.3° | 180.0° |
| C46 | C45 | C44 | H68 | 62.3° | 60.0° |
| C46 | C45 | C44 | H69 | 56.6° | 60.0° |
| C46 | C45 | H70 | H71 | 117.9° | 120.0° |
| C45 | C46 | H72 | H73 | 118.1° | 120.0° |
| C45 | C46 | C47 | H74 | 55.6° | 60.0° |
| C45 | C46 | C47 | H75 | 63.1° | 60.0° |
| C46 | C47 | C48 | C49 | 59.8° | 180.0° |
| C46 | C47 | C48 | H74 | 120.7° | 120.0° |
| C46 | C47 | C48 | H75 | 120.6° | 120.0° |
| C47 | C46 | C45 | H70 | 60.2° | 60.0° |
| C47 | C46 | C45 | H71 | 58.4° | 60.0° |
| C47 | C46 | H72 | H73 | 118.1° | 120.0° |
| C46 | C47 | H74 | H75 | 118.0° | 120.0° |
| C46 | C47 | C48 | H76 | 60.8° | 60.0° |
| C46 | C47 | C48 | H77 | 179.6° | 60.0° |
| C6 | C5 | C4 | H80 | 120.7° | 120.0° |
| C6 | C5 | C4 | H81 | 120.7° | 120.0° |
| C6 | C5 | C4 | C3 | 178.5° | 180.0° |
| C6 | C5 | C4 | H58 | 60.8° | 60.0° |
| C6 | C5 | C4 | H59 | 57.8° | 60.0° |
| C6 | C5 | H80 | H81 | 118.0° | 120.1° |
| C5 | C6 | H93 | H94 | 118.0° | 120.1° |
| C5 | C6 | C7 | H106 | 52.5° | 60.0° |
| C5 | C6 | C7 | H107 | 66.1° | 60.0° |
| C5 | C4 | C3 | H58 | 120.7° | 120.0° |
| C5 | C4 | C3 | H59 | 120.7° | 120.0° |
| C5 | C4 | C3 | C2 | 179.6° | 180.0° |
| C5 | C4 | C3 | H43 | 59.7° | 60.0° |
| C5 | C4 | C3 | H44 | 59.0° | 60.0° |
| C5 | C4 | H58 | H59 | 117.9° | 120.0° |
| C4 | C5 | H80 | H81 | 118.0° | 119.9° |
| C4 | C5 | C6 | H93 | 7.4° | 60.0° |
| C4 | C5 | C6 | H94 | 111.2° | 60.0° |
| C9 | C10 | H7 | H8 | 118.1° | 120.0° |
| C9 | C10 | C11 | H9 | 172.1° | 60.0° |
| C9 | C10 | C11 | H10 | 53.3° | 60.1° |
| C10 | C9 | C8 | H110 | 56.2° | 60.0° |
| C10 | C9 | C8 | H111 | 62.4° | 60.0° |
| C10 | C9 | H112 | H113 | 118.0° | 120.1° |
| C50 | C49 | C48 | H78 | 120.7° | 119.9° |
| C50 | C49 | C48 | H79 | 120.6° | 120.1° |
| C49 | C50 | C51 | H82 | 120.6° | 120.0° |
| C49 | C50 | C51 | H83 | 120.6° | 120.1° |
| C50 | C49 | C48 | C47 | 176.9° | 180.0° |
| C50 | C49 | C48 | H76 | 62.5° | 60.1° |
| C50 | C49 | C48 | H77 | 56.3° | 59.9° |
| C50 | C49 | H78 | H79 | 118.0° | 120.1° |
| C49 | C50 | H82 | H83 | 118.0° | 120.1° |
| C49 | C50 | C51 | H84 | 34.2° | 60.1° |
| C49 | C50 | C51 | H85 | 156.7° | 59.9° |
| C49 | C50 | C51 | C52 | 84.6° | 180.0° |
| C48 | C49 | C50 | C51 | 69.8° | 180.0° |
| C49 | C48 | C47 | H76 | 120.6° | 120.0° |
| C49 | C48 | C47 | H77 | 120.6° | 120.0° |
| C49 | C48 | C47 | H74 | 60.9° | 60.0° |
| C49 | C48 | C47 | H75 | 179.6° | 60.0° |
| C49 | C48 | H76 | H77 | 118.0° | 120.0° |
| C48 | C49 | H78 | H79 | 118.0° | 120.0° |
| C48 | C49 | C50 | H82 | 50.9° | 60.1° |
| C48 | C49 | C50 | H83 | 169.6° | 59.9° |
| C4 | C3 | C2 | H43 | 120.7° | 120.0° |
| C4 | C3 | C2 | H44 | 120.6° | 120.0° |
| C4 | C3 | C2 | C1 | 178.9° | 180.0° |
| C4 | C3 | C2 | H23 | 58.2° | 60.0° |
| C4 | C3 | C2 | H24 | 60.4° | 60.0° |
| C4 | C3 | H43 | H44 | 118.0° | 120.0° |
| C3 | C4 | H58 | H59 | 117.9° | 120.0° |
| C3 | C4 | C5 | H80 | 57.8° | 60.0° |
| C3 | C4 | C5 | H81 | 60.8° | 60.0° |
| C3 | C2 | C1 | H23 | 120.7° | 120.0° |
| C3 | C2 | C1 | H24 | 120.7° | 120.0° |
| C3 | C2 | C1 | C | 177.5° | 180.0° |
| C3 | C2 | C1 | H5 | 62.0° | 60.0° |
| C3 | C2 | C1 | H6 | 56.9° | 60.0° |
| C3 | C2 | H23 | H24 | 118.0° | 120.0° |
| C2 | C3 | H43 | H44 | 118.0° | 120.0° |
| C2 | C3 | C4 | H58 | 58.9° | 60.0° |
| C2 | C3 | C4 | H59 | 59.7° | 60.0° |
| C51 | C50 | C49 | H78 | 50.9° | 60.1° |
| C51 | C50 | C49 | H79 | 169.6° | 60.0° |
| C51 | C50 | H82 | H83 | 118.0° | 119.9° |
| C50 | C51 | H84 | H85 | 123.5° | 120.0° |
| C50 | C51 | H84 | C52 | 112.9° | 120.0° |
| C50 | C51 | H85 | C52 | 112.9° | 120.0° |
| C50 | C51 | C52 | H129 | 90.0° | 60.1° |
| C50 | C51 | C52 | H130 | 90.0° | 60.0° |
| C50 | C51 | C52 | H131 | 90.0° | 180.0° |
| C48 | C47 | C46 | H72 | 63.1° | 60.0° |
| C48 | C47 | C46 | H73 | 55.7° | 60.0° |
| C48 | C47 | H74 | H75 | 118.0° | 120.0° |
| C47 | C48 | H76 | H77 | 118.1° | 120.0° |
| C47 | C48 | C49 | H78 | 56.3° | 60.0° |
| C47 | C48 | C49 | H79 | 62.4° | 60.0° |
| C2 | C1 | C | H5 | 120.6° | 120.0° |
| C2 | C1 | C | H6 | 120.5° | 120.0° |
| C2 | C1 | C | H2 | 180.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C2 | C1 | C | H4 | 60.0° | 60.1° |
| C2 | C1 | H5 | H6 | 118.3° | 120.0° |
| C1 | C2 | H23 | H24 | 117.9° | 120.0° |
| C1 | C2 | C3 | H43 | 60.4° | 60.0° |
| C1 | C2 | C3 | H44 | 58.3° | 60.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 119.9° |
| C | C1 | H5 | H6 | 118.3° | 120.0° |
| C | C1 | C2 | H23 | 56.8° | 60.0° |
| C | C1 | C2 | H24 | 61.8° | 60.0° |
| H1 | N | C16 | H17 | 174.5° | 0.2° |
| H2 | C | H3 | H4 | 120.0° | 120.0° |
| H2 | C | C1 | H5 | 59.5° | 180.0° |
| H2 | C | C1 | H6 | 59.4° | 60.0° |
| H3 | C | C1 | H5 | 179.4° | 59.9° |
| H3 | C | C1 | H6 | 60.5° | 60.0° |
| H4 | C | C1 | H5 | 60.6° | 60.0° |
| H4 | C | C1 | H6 | 179.5° | 179.9° |
| H5 | C1 | C2 | H23 | 177.4° | 180.0° |
| H5 | C1 | C2 | H24 | 58.7° | 60.1° |
| H6 | C1 | C2 | H23 | 63.7° | 60.0° |
| H6 | C1 | C2 | H24 | 177.6° | 180.0° |
| H7 | C10 | C11 | H9 | 67.3° | 60.0° |
| H7 | C10 | C11 | H10 | 173.9° | 179.9° |
| H7 | C10 | C9 | H112 | 58.9° | 180.0° |
| H7 | C10 | C9 | H113 | 59.8° | 60.0° |
| H8 | C10 | C11 | H9 | 51.5° | 179.9° |
| H8 | C10 | C11 | H10 | 67.3° | 60.0° |
| H8 | C10 | C9 | H112 | 59.9° | 60.0° |
| H8 | C10 | C9 | H113 | 178.6° | 180.0° |
| H9 | C11 | C12 | H11 | 152.9° | 180.0° |
| H9 | C11 | C12 | H12 | 34.2° | 60.0° |
| H10 | C11 | C12 | H11 | 88.4° | 59.9° |
| H10 | C11 | C12 | H12 | 153.0° | 180.0° |
| H11 | C12 | C13 | H13 | 56.9° | 180.0° |
| H11 | C12 | C13 | H14 | 61.9° | 60.0° |
| H12 | C12 | C13 | H13 | 175.6° | 60.0° |
| H12 | C12 | C13 | H14 | 56.8° | 180.0° |
| H13 | C13 | C14 | H15 | 145.6° | 179.9° |
| H13 | C13 | C14 | H16 | 26.6° | 60.0° |
| H14 | C13 | C14 | H15 | 95.6° | 60.0° |
| H14 | C13 | C14 | H16 | 145.4° | 180.0° |
| H17 | C16 | C17 | H18 | 107.8° | 180.0° |
| H17 | C16 | C17 | H19 | 12.9° | 60.0° |
| H20 | C18 | C19 | H22 | 56.1° | 180.0° |
| H21 | C18 | C19 | H22 | 174.9° | 60.1° |
| H22 | C19 | C20 | H25 | 151.5° | 65.0° |
| H22 | C19 | C20 | H26 | 30.8° | 175.0° |
| H23 | C2 | C3 | H43 | 178.9° | 179.9° |
| H23 | C2 | C3 | H44 | 62.4° | 60.0° |
| H24 | C2 | C3 | H43 | 60.3° | 60.0° |
| H24 | C2 | C3 | H44 | 178.9° | 180.0° |
| H27 | C22 | C23 | H29 | 175.8° | 179.9° |
| H27 | C22 | C23 | H30 | 65.3° | 60.1° |
| H28 | C22 | C23 | H29 | 56.8° | 60.0° |
| H28 | C22 | C23 | H30 | 175.8° | NaN° |
| H29 | C23 | C24 | H31 | 154.2° | 180.0° |
| H29 | C23 | C24 | H32 | 35.5° | 60.0° |
| H30 | C23 | C24 | H31 | 86.8° | 60.0° |
| H30 | C23 | C24 | H32 | 154.5° | 180.0° |
| H31 | C24 | C25 | H33 | 67.9° | 180.0° |
| H31 | C24 | C25 | H34 | 50.7° | 60.0° |
| H32 | C24 | C25 | H33 | 173.4° | 60.0° |
| H32 | C24 | C25 | H34 | 68.0° | NaN° |
| H33 | C25 | C26 | H35 | 176.5° | 180.0° |
| H33 | C25 | C26 | H36 | 64.7° | 60.0° |
| H34 | C25 | C26 | H35 | 57.8° | 60.0° |
| H34 | C25 | C26 | H36 | 176.7° | 180.0° |
| H35 | C26 | C27 | H37 | 169.7° | 180.0° |
| H35 | C26 | C27 | H38 | 71.7° | 60.0° |
| H36 | C26 | C27 | H37 | 50.9° | 60.0° |
| H36 | C26 | C27 | H38 | 169.4° | 180.0° |
| H37 | C27 | C28 | H39 | 14.8° | 180.0° |
| H37 | C27 | C28 | H40 | 104.0° | 60.0° |
| H38 | C27 | C28 | H39 | 103.7° | 60.0° |
| H38 | C27 | C28 | H40 | 137.5° | 179.9° |
| H39 | C28 | C29 | H41 | 84.8° | 180.0° |
| H39 | C28 | C29 | H42 | 156.6° | 60.0° |
| H40 | C28 | C29 | H41 | 156.5° | 60.0° |
| H40 | C28 | C29 | H42 | 37.8° | 180.0° |
| H41 | C29 | C30 | H45 | 60.6° | 180.0° |
| H41 | C29 | C30 | H46 | 179.4° | 59.9° |
| H42 | C29 | C30 | H45 | 58.1° | 60.0° |
| H42 | C29 | C30 | H46 | 60.7° | 180.0° |
| H43 | C3 | C4 | H58 | 179.6° | 180.0° |
| H43 | C3 | C4 | H59 | 60.9° | 60.1° |
| H44 | C3 | C4 | H58 | 61.7° | 60.0° |
| H44 | C3 | C4 | H59 | 179.6° | 180.0° |
| H45 | C30 | C31 | H47 | 173.7° | 179.9° |
| H45 | C30 | C31 | H48 | 67.6° | 60.0° |
| H46 | C30 | C31 | H47 | 54.9° | 59.9° |
| H46 | C30 | C31 | H48 | 173.6° | 180.0° |
| H47 | C31 | C32 | H49 | 62.4° | 180.0° |
| H47 | C31 | C32 | H50 | 56.4° | 59.9° |
| H48 | C31 | C32 | H49 | 178.9° | 59.9° |
| H48 | C31 | C32 | H50 | 62.3° | 180.0° |
| H49 | C32 | C33 | H51 | 88.5° | 179.9° |
| H49 | C32 | C33 | H52 | 135.7° | 60.0° |
| H49 | C32 | C33 | C34 | 23.6° | 60.0° |
| H50 | C32 | C33 | H51 | 30.2° | 60.0° |
| H50 | C32 | C33 | H52 | 105.6° | 180.0° |
| H50 | C32 | C33 | C34 | 142.3° | 60.0° |
| H51 | C33 | H52 | C34 | 139.4° | 120.0° |
| H51 | C33 | C34 | C35 | 90.0° | 60.0° |
| H51 | C33 | C34 | H53 | 90.0° | 180.0° |
| H51 | C33 | C34 | H86 | 90.0° | 60.0° |
| H52 | C33 | C34 | C35 | 90.0° | 60.0° |
| H52 | C33 | C34 | H53 | 90.0° | 60.0° |
| H52 | C33 | C34 | H86 | 90.0° | 180.0° |
| H54 | C38 | C39 | H56 | 71.1° | 180.0° |
| H54 | C38 | C39 | H57 | 47.7° | 60.0° |
| H55 | C38 | C39 | H56 | 170.0° | 60.0° |
| H55 | C38 | C39 | H57 | 71.2° | NaN° |
| H56 | C39 | C40 | H60 | 177.8° | 180.0° |
| H56 | C39 | C40 | H61 | 59.0° | 59.9° |
| H57 | C39 | C40 | H60 | 63.3° | 59.9° |
| H57 | C39 | C40 | H61 | 177.8° | 180.0° |
| H58 | C4 | C5 | H80 | 178.5° | 180.0° |
| H58 | C4 | C5 | H81 | 59.8° | 60.0° |
| H59 | C4 | C5 | H80 | 62.8° | 60.0° |
| H59 | C4 | C5 | H81 | 178.5° | 180.0° |
| H60 | C40 | C41 | H62 | 166.3° | 180.0° |
| H60 | C40 | C41 | H63 | 75.1° | 60.0° |
| H61 | C40 | C41 | H62 | 47.5° | 60.0° |
| H61 | C40 | C41 | H63 | 166.0° | 180.0° |
| H62 | C41 | C42 | H64 | 125.3° | 180.0° |
| H62 | C41 | C42 | H65 | 6.6° | 60.0° |
| H63 | C41 | C42 | H64 | 116.1° | 60.0° |
| H63 | C41 | C42 | H65 | 125.2° | 180.0° |
| H64 | C42 | C43 | H66 | 152.9° | 180.0° |
| H64 | C42 | C43 | H67 | 34.1° | 60.0° |
| H65 | C42 | C43 | H66 | 88.4° | 60.0° |
| H65 | C42 | C43 | H67 | 152.8° | NaN° |
| H66 | C43 | C44 | H68 | 60.1° | 180.0° |
| H66 | C43 | C44 | H69 | 179.0° | 60.0° |
| H67 | C43 | C44 | H68 | 58.7° | 60.0° |
| H67 | C43 | C44 | H69 | 60.2° | NaN° |
| H68 | C44 | C45 | H70 | 177.0° | 180.0° |
| H68 | C44 | C45 | H71 | 58.4° | 60.0° |
| H69 | C44 | C45 | H70 | 64.1° | 60.0° |
| H69 | C44 | C45 | H71 | 177.3° | 180.0° |
| H70 | C45 | C46 | H72 | 179.2° | 180.0° |
| H70 | C45 | C46 | H73 | 60.4° | 60.1° |
| H71 | C45 | C46 | H72 | 62.2° | 60.1° |
| H71 | C45 | C46 | H73 | 179.1° | 180.0° |
| H72 | C46 | C47 | H74 | 176.2° | 180.0° |
| H72 | C46 | C47 | H75 | 57.5° | 60.0° |
| H73 | C46 | C47 | H74 | 65.0° | 60.0° |
| H73 | C46 | C47 | H75 | 176.3° | NaN° |
| H74 | C47 | C48 | H76 | 178.5° | 179.9° |
| H74 | C47 | C48 | H77 | 59.8° | 60.0° |
| H75 | C47 | C48 | H76 | 59.8° | 60.0° |
| H75 | C47 | C48 | H77 | 58.9° | 180.0° |
| H76 | C48 | C49 | H78 | 176.9° | 180.0° |
| H76 | C48 | C49 | H79 | 58.2° | 60.0° |
| H77 | C48 | C49 | H78 | 64.4° | 60.0° |
| H77 | C48 | C49 | H79 | 176.9° | NaN° |
| H78 | C49 | C50 | H82 | 171.5° | 180.0° |
| H78 | C49 | C50 | H83 | 69.7° | 60.0° |
| H79 | C49 | C50 | H82 | 69.8° | 60.0° |
| H79 | C49 | C50 | H83 | 49.0° | 180.0° |
| H80 | C5 | C6 | H93 | 128.1° | 180.0° |
| H80 | C5 | C6 | H94 | 9.4° | 60.0° |
| H81 | C5 | C6 | H93 | 113.2° | 60.0° |
| H81 | C5 | C6 | H94 | 128.1° | 180.0° |
| H82 | C50 | C51 | H84 | 86.4° | 180.0° |
| H82 | C50 | C51 | H85 | 36.1° | 60.0° |
| H82 | C50 | C51 | C52 | 154.8° | 60.0° |
| H83 | C50 | C51 | H84 | 154.9° | 60.0° |
| H83 | C50 | C51 | H85 | 82.7° | 179.9° |
| H83 | C50 | C51 | C52 | 36.1° | 59.9° |
| H84 | C51 | H85 | C52 | 123.6° | 120.1° |
| H84 | C51 | C52 | H129 | 90.0° | 180.0° |
| H84 | C51 | C52 | H130 | 90.0° | 59.9° |
| H84 | C51 | C52 | H131 | 90.0° | 60.0° |
| H85 | C51 | C52 | H129 | 90.0° | 59.9° |
| H85 | C51 | C52 | H130 | 90.0° | 180.0° |
| H85 | C51 | C52 | H131 | 90.0° | 60.0° |
| H87 | C54 | C55 | H88 | 172.5° | 65.0° |
| H87 | C54 | C55 | H89 | 52.9° | 55.0° |
| H87 | C54 | N1 | H114 | 5.6° | 145.0° |
| H88 | C55 | O6 | H122 | 59.8° | 60.0° |
| H89 | C55 | O6 | H122 | 59.8° | 60.0° |
| H90 | C57 | C58 | H91 | 65.6° | 65.0° |
| H90 | C57 | C58 | H92 | 174.8° | 55.0° |
| H90 | C57 | N2 | H115 | 136.9° | 145.0° |
| H91 | C58 | O8 | H123 | 59.8° | 60.0° |
| H92 | C58 | O8 | H123 | 59.8° | 60.0° |
| H93 | C6 | C7 | H106 | 173.2° | NaN° |
| H93 | C6 | C7 | H107 | 54.5° | 60.0° |
| H94 | C6 | C7 | H106 | 68.1° | 60.0° |
| H94 | C6 | C7 | H107 | 173.2° | 180.0° |
| H95 | C60 | C61 | H96 | 177.2° | 65.1° |
| H95 | C60 | C61 | H97 | 58.2° | 175.0° |
| H95 | C60 | N3 | H116 | 93.5° | 145.0° |
| H96 | C61 | C62 | H98 | 172.3° | 180.0° |
| H96 | C61 | C62 | H99 | 69.0° | 60.0° |
| H97 | C61 | C62 | H98 | 53.3° | 60.1° |
| H97 | C61 | C62 | H99 | 172.0° | 180.0° |
| H98 | C62 | C63 | H100 | 63.7° | 180.0° |
| H98 | C62 | C63 | H101 | 55.2° | 60.0° |
| H99 | C62 | C63 | H100 | 177.6° | 59.9° |
| H99 | C62 | C63 | H101 | 63.5° | 180.0° |
| H100 | C63 | C64 | H102 | 169.2° | 179.9° |
| H100 | C63 | C64 | H103 | 71.6° | 59.9° |
| H101 | C63 | C64 | H102 | 50.3° | 60.0° |
| H101 | C63 | C64 | H103 | 169.5° | 180.0° |
| H102 | C64 | N4 | H117 | 72.6° | 120.1° |
| H103 | C64 | N4 | H117 | 168.2° | 120.0° |
| H104 | C68 | C69 | H105 | 0.0° | 0.2° |
| H105 | C69 | C70 | H108 | 0.1° | 0.2° |
| H106 | C7 | C8 | H110 | 58.0° | 180.0° |
| H106 | C7 | C8 | H111 | 60.6° | 60.0° |
| H107 | C7 | C8 | H110 | 60.6° | 60.0° |
| H107 | C7 | C8 | H111 | 179.3° | 180.0° |
| H108 | C70 | C71 | H109 | 0.0° | 0.2° |
| H110 | C8 | C9 | H112 | 176.8° | 60.0° |
| H110 | C8 | C9 | H113 | 64.4° | 180.0° |
| H111 | C8 | C9 | H112 | 58.2° | 180.0° |
| H111 | C8 | C9 | H113 | 177.0° | 60.0° |
| C33 | C34 | C35 | H53 | 90.0° | 120.0° |
| C33 | C34 | C35 | H86 | 90.0° | 120.0° |
| C33 | C34 | C35 | C36 | 90.0° | 180.0° |
| C33 | C34 | H53 | H86 | 90.0° | 120.0° |
| C33 | C34 | C35 | H124 | 90.0° | 60.0° |
| C33 | C34 | C35 | H125 | 90.0° | 60.0° |
| C34 | C35 | C36 | H124 | 90.0° | 120.0° |
| C34 | C35 | C36 | H125 | 90.0° | 120.1° |
| C35 | C34 | H53 | H86 | 90.0° | 120.0° |
| C34 | C35 | H124 | H125 | 90.0° | 120.1° |
| C34 | C35 | C36 | H126 | 90.0° | 180.0° |
| C34 | C35 | C36 | H127 | 90.0° | 60.0° |
| C34 | C35 | C36 | H128 | 90.0° | 59.9° |
| C36 | C35 | C34 | H53 | 90.0° | 60.0° |
| C36 | C35 | C34 | H86 | 90.0° | 59.9° |
| C36 | C35 | H124 | H125 | 90.0° | 119.9° |
| C35 | C36 | H126 | H127 | 90.0° | 120.0° |
| C35 | C36 | H126 | H128 | 90.0° | 120.1° |
| C35 | C36 | H127 | H128 | 90.0° | 120.0° |
| C51 | C52 | H129 | H130 | 90.0° | 120.1° |
| C51 | C52 | H129 | H131 | 90.0° | 119.9° |
| C51 | C52 | H130 | H131 | 90.0° | 119.9° |
| H53 | C34 | C35 | H124 | 90.0° | 180.0° |
| H53 | C34 | C35 | H125 | 90.0° | 60.0° |
| H86 | C34 | C35 | H124 | 90.0° | 60.0° |
| H86 | C34 | C35 | H125 | 90.0° | 180.0° |
| H124 | C35 | C36 | H126 | 90.0° | 60.0° |
| H124 | C35 | C36 | H127 | 90.0° | 180.0° |
| H124 | C35 | C36 | H128 | 90.0° | 60.0° |
| H125 | C35 | C36 | H126 | 90.0° | 59.9° |
| H125 | C35 | C36 | H127 | 90.0° | 60.1° |
| H125 | C35 | C36 | H128 | 90.0° | 180.0° |
| H126 | C36 | H127 | H128 | 90.0° | 120.0° |
| H129 | C52 | H130 | H131 | 90.0° | 120.0° |
