4J9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O74 | C71 | sing | 1.43Å | 1.45Å | |
| C71 | C62 | sing | 1.53Å | 1.49Å | |
| O33 | C8 | sing | 1.43Å | 1.41Å | |
| C94 | O91 | sing | 1.43Å | 1.44Å | |
| C94 | C93 | sing | 1.53Å | 1.52Å | |
| C8 | C6 | sing | 1.53Å | 1.52Å | |
| C62 | O70 | sing | 1.43Å | 1.41Å | |
| C62 | C59 | sing | 1.53Å | 1.53Å | |
| O70 | C68 | sing | 1.43Å | 1.39Å | |
| N1 | N12 | doub | 1.29Å | 1.43Å | Aromatic |
| N1 | N4 | sing | 1.29Å | 1.36Å | Aromatic |
| N12 | C11 | sing | 1.34Å | 1.43Å | Aromatic |
| O9 | C6 | sing | 1.43Å | 1.38Å | |
| O9 | C10 | sing | 1.43Å | 1.38Å | |
| O85 | C93 | sing | 1.43Å | 1.43Å | |
| O85 | C86 | sing | 1.43Å | 1.42Å | |
| C6 | C14 | sing | 1.53Å | 1.52Å | |
| C93 | C92 | sing | 1.53Å | 1.50Å | |
| N4 | C59 | sing | 1.46Å | 1.46Å | |
| N4 | C3 | sing | 1.35Å | 1.34Å | Aromatic |
| C59 | C61 | sing | 1.53Å | 1.48Å | |
| N67 | N66 | doub | 1.29Å | 1.38Å | Aromatic |
| N67 | N65 | sing | 1.29Å | 1.37Å | Aromatic |
| N66 | C63 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| N65 | C68 | sing | 1.47Å | 1.42Å | |
| N65 | C69 | sing | 1.35Å | 1.41Å | Aromatic |
| C68 | C64 | sing | 1.53Å | 1.51Å | |
| C63 | C69 | doub | 1.35Å | 1.40Å | Aromatic |
| C63 | C86 | sing | 1.51Å | 1.50Å | |
| C10 | C2 | sing | 1.53Å | 1.51Å | |
| C86 | C95 | sing | 1.53Å | 1.50Å | |
| C14 | N13 | sing | 1.46Å | 1.41Å | |
| C14 | C7 | sing | 1.53Å | 1.50Å | |
| C92 | N90 | sing | 1.47Å | 1.42Å | |
| C92 | C96 | sing | 1.53Å | 1.51Å | |
| N97 | N90 | sing | 1.29Å | 1.37Å | Aromatic |
| N97 | N98 | doub | 1.29Å | 1.41Å | Aromatic |
| N18 | N13 | sing | 1.29Å | 1.39Å | Aromatic |
| N18 | N17 | doub | 1.29Å | 1.38Å | Aromatic |
| C61 | C64 | sing | 1.53Å | 1.52Å | |
| C61 | O72 | sing | 1.43Å | 1.41Å | |
| C64 | O73 | sing | 1.43Å | 1.40Å | |
| N90 | CA0 | sing | 1.35Å | 1.41Å | Aromatic |
| N13 | C15 | sing | 1.35Å | 1.38Å | Aromatic |
| N98 | C99 | sing | 1.34Å | 1.39Å | Aromatic |
| N17 | C16 | sing | 1.34Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.53Å | 1.50Å | |
| C2 | O32 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | doub | 1.35Å | 1.37Å | Aromatic |
| C95 | C96 | sing | 1.53Å | 1.50Å | |
| C95 | O89 | sing | 1.43Å | 1.43Å | |
| CA0 | C99 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | O5 | sing | 1.43Å | 1.42Å | |
| C99 | CA1 | sing | 1.51Å | 1.53Å | |
| C16 | C19 | sing | 1.51Å | 1.51Å | |
| C96 | O88 | sing | 1.43Å | 1.41Å | |
| CA1 | OA2 | sing | 1.43Å | 1.42Å | |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| OA2 | CA8 | sing | 1.43Å | 1.39Å | |
| O30 | C27 | sing | 1.43Å | 1.45Å | |
| O20 | C22 | sing | 1.43Å | 1.37Å | |
| OA9 | CA7 | sing | 1.43Å | 1.42Å | |
| C22 | C27 | sing | 1.53Å | 1.50Å | |
| C22 | O21 | sing | 1.43Å | 1.42Å | |
| CA8 | CA7 | sing | 1.53Å | 1.51Å | |
| CA8 | OA3 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| CA7 | CA6 | sing | 1.53Å | 1.49Å | |
| O21 | C24 | sing | 1.43Å | 1.39Å | |
| OA3 | CA4 | sing | 1.43Å | 1.38Å | |
| C28 | O26 | sing | 1.43Å | 1.39Å | |
| C28 | C23 | sing | 1.53Å | 1.54Å | |
| CA6 | OB0 | sing | 1.43Å | 1.40Å | |
| CA6 | CA5 | sing | 1.53Å | 1.51Å | |
| CA4 | CA5 | sing | 1.53Å | 1.52Å | |
| CA4 | CB3 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C24 | C29 | sing | 1.53Å | 1.56Å | |
| C23 | O25 | sing | 1.43Å | 1.44Å | |
| CA5 | OB1 | sing | 1.43Å | 1.43Å | |
| OB2 | CB3 | sing | 1.43Å | 1.41Å | |
| O31 | C29 | sing | 1.43Å | 1.39Å | |
| C14 | H42 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C2 | H34 | sing | 1.09Å | 1.10Å | |
| O5 | H36 | sing | 0.97Å | 0.95Å | |
| C15 | H43 | sing | 1.08Å | 1.08Å | |
| C19 | H45 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| O25 | H49 | sing | 0.97Å | 0.95Å | |
| O26 | H50 | sing | 0.97Å | 0.95Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| O30 | H55 | sing | 0.97Å | 0.95Å | |
| O31 | H56 | sing | 0.97Å | 0.95Å | |
| O32 | H57 | sing | 0.97Å | 0.95Å | |
| O33 | H58 | sing | 0.97Å | 0.95Å | |
| C59 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H75 | sing | 1.09Å | 1.10Å | |
| C62 | H76 | sing | 1.09Å | 1.10Å | |
| C64 | H77 | sing | 1.09Å | 1.10Å | |
| C68 | H78 | sing | 1.09Å | 1.10Å | |
| C69 | H79 | sing | 1.08Å | 1.08Å | |
| C71 | H80 | sing | 1.09Å | 1.10Å | |
| C71 | H81 | sing | 1.09Å | 1.10Å | |
| O72 | H82 | sing | 0.97Å | 0.95Å | |
| O73 | H83 | sing | 0.97Å | 0.95Å | |
| O74 | H84 | sing | 0.97Å | 0.95Å | |
| C86 | H87 | sing | 1.09Å | 1.10Å | |
| O88 | H114 | sing | 0.97Å | 0.95Å | |
| O89 | H115 | sing | 0.97Å | 0.95Å | |
| O91 | H116 | sing | 0.97Å | 0.95Å | |
| C92 | H117 | sing | 1.09Å | 1.10Å | |
| C93 | H118 | sing | 1.09Å | 1.10Å | |
| C94 | H119 | sing | 1.09Å | 1.10Å | |
| C94 | H120 | sing | 1.09Å | 1.10Å | |
| C95 | H121 | sing | 1.09Å | 1.10Å | |
| C96 | H122 | sing | 1.09Å | 1.10Å | |
| CA0 | H123 | sing | 1.08Å | 1.08Å | |
| CA1 | H125 | sing | 1.09Å | 1.10Å | |
| CA1 | H124 | sing | 1.09Å | 1.10Å | |
| CA4 | H126 | sing | 1.09Å | 1.10Å | |
| CA5 | H127 | sing | 1.09Å | 1.10Å | |
| CA6 | H128 | sing | 1.09Å | 1.10Å | |
| CA7 | H129 | sing | 1.09Å | 1.10Å | |
| CA8 | H130 | sing | 1.09Å | 1.10Å | |
| OA9 | H131 | sing | 0.97Å | 0.95Å | |
| OB0 | H132 | sing | 0.97Å | 0.95Å | |
| OB1 | H133 | sing | 0.97Å | 0.95Å | |
| OB2 | H134 | sing | 0.97Å | 0.95Å | |
| CB3 | H135 | sing | 1.09Å | 1.10Å | |
| CB3 | H136 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O74 | C71 | C62 | 111.1° | 109.4° |
| O74 | C71 | H80 | 109.0° | 109.5° |
| O74 | C71 | H81 | 109.0° | 109.5° |
| C71 | O74 | H84 | 109.5° | 113.9° |
| C71 | C62 | O70 | 108.7° | 109.5° |
| C71 | C62 | C59 | 112.0° | 109.4° |
| C71 | C62 | H76 | 108.8° | 109.5° |
| C62 | C71 | H80 | 109.1° | 109.5° |
| C62 | C71 | H81 | 109.0° | 109.5° |
| O33 | C8 | C6 | 109.5° | 109.5° |
| O33 | C8 | H39 | 109.5° | 109.5° |
| O33 | C8 | H40 | 109.5° | 109.5° |
| C8 | O33 | H58 | 109.5° | 114.0° |
| O91 | C94 | C93 | 110.7° | 109.5° |
| C94 | O91 | H116 | 109.5° | 114.0° |
| O91 | C94 | H119 | 109.2° | 109.5° |
| O91 | C94 | H120 | 109.1° | 109.5° |
| C94 | C93 | O85 | 109.6° | 109.5° |
| C94 | C93 | C92 | 112.9° | 109.5° |
| C94 | C93 | H118 | 108.9° | 109.5° |
| C93 | C94 | H119 | 109.1° | 109.4° |
| C93 | C94 | H120 | 109.2° | 109.5° |
| C8 | C6 | O9 | 111.2° | 109.5° |
| C8 | C6 | C14 | 111.6° | 109.5° |
| C8 | C6 | H37 | 109.0° | 109.4° |
| C6 | C8 | H39 | 109.4° | 109.5° |
| C6 | C8 | H40 | 109.4° | 109.4° |
| O70 | C62 | C59 | 109.2° | 109.4° |
| C62 | O70 | C68 | 110.1° | 114.1° |
| O70 | C62 | H76 | 109.9° | 109.5° |
| C62 | C59 | N4 | 107.3° | 109.5° |
| C62 | C59 | C61 | 111.1° | 109.2° |
| C62 | C59 | H60 | 109.7° | 109.5° |
| C59 | C62 | H76 | 108.3° | 109.5° |
| O70 | C68 | N65 | 106.6° | 109.5° |
| O70 | C68 | C64 | 109.6° | 109.4° |
| O70 | C68 | H78 | 111.1° | 109.5° |
| N12 | N1 | N4 | 106.1° | 110.2° |
| N1 | N12 | C11 | 105.0° | 108.9° |
| N1 | N4 | C59 | 127.0° | 125.9° |
| N1 | N4 | C3 | 112.1° | 108.3° |
| N12 | C11 | C3 | 108.8° | 106.5° |
| N12 | C11 | C10 | 128.9° | 126.7° |
| C6 | O9 | C10 | 117.9° | 114.1° |
| O9 | C6 | C14 | 105.0° | 109.4° |
| O9 | C6 | H37 | 110.9° | 109.5° |
| O9 | C10 | C11 | 108.0° | 109.5° |
| O9 | C10 | C2 | 113.7° | 109.4° |
| O9 | C10 | H41 | 110.5° | 109.5° |
| C93 | O85 | C86 | 108.0° | 114.1° |
| O85 | C93 | C92 | 106.0° | 109.4° |
| O85 | C93 | H118 | 110.2° | 109.5° |
| O85 | C86 | C63 | 108.2° | 109.5° |
| O85 | C86 | C95 | 112.8° | 109.5° |
| O85 | C86 | H87 | 109.9° | 109.5° |
| C6 | C14 | N13 | 109.8° | 109.5° |
| C6 | C14 | C7 | 109.6° | 109.2° |
| C6 | C14 | H42 | 110.4° | 109.6° |
| C14 | C6 | H37 | 109.1° | 109.4° |
| C93 | C92 | N90 | 111.5° | 109.6° |
| C93 | C92 | C96 | 110.7° | 109.2° |
| C93 | C92 | H117 | 110.5° | 109.6° |
| C92 | C93 | H118 | 109.2° | 109.5° |
| C59 | N4 | C3 | 121.0° | 125.8° |
| N4 | C59 | C61 | 107.7° | 109.6° |
| N4 | C59 | H60 | 110.6° | 109.5° |
| N4 | C3 | C11 | 107.9° | 106.2° |
| N4 | C3 | H35 | 126.0° | 127.0° |
| C59 | C61 | C64 | 109.8° | 109.0° |
| C59 | C61 | O72 | 109.7° | 109.5° |
| C61 | C59 | H60 | 110.3° | 109.5° |
| C59 | C61 | H75 | 109.0° | 109.5° |
| N66 | N67 | N65 | 108.9° | 110.1° |
| N67 | N66 | C63 | 107.2° | 108.9° |
| N67 | N65 | C68 | 127.7° | 125.8° |
| N67 | N65 | C69 | 108.9° | 108.3° |
| N66 | C63 | C69 | 110.0° | 106.5° |
| N66 | C63 | C86 | 127.7° | 126.7° |
| C3 | C11 | C10 | 122.3° | 126.8° |
| C11 | C3 | H35 | 126.1° | 126.9° |
| C11 | C10 | C2 | 107.5° | 109.5° |
| C11 | C10 | H41 | 108.4° | 109.5° |
| C68 | N65 | C69 | 123.4° | 125.8° |
| N65 | C68 | C64 | 109.7° | 109.5° |
| N65 | C68 | H78 | 110.5° | 109.5° |
| N65 | C69 | C63 | 105.1° | 106.1° |
| N65 | C69 | H79 | 127.4° | 127.0° |
| C68 | C64 | C61 | 108.5° | 109.2° |
| C68 | C64 | O73 | 110.2° | 109.6° |
| C68 | C64 | H77 | 109.2° | 109.6° |
| C64 | C68 | H78 | 109.3° | 109.5° |
| C69 | C63 | C86 | 122.3° | 126.8° |
| C63 | C69 | H79 | 127.5° | 126.9° |
| C63 | C86 | C95 | 108.0° | 109.5° |
| C63 | C86 | H87 | 108.8° | 109.5° |
| C10 | C2 | C7 | 109.9° | 109.2° |
| C10 | C2 | O32 | 110.8° | 109.5° |
| C2 | C10 | H41 | 108.6° | 109.5° |
| C10 | C2 | H34 | 109.2° | 109.5° |
| C86 | C95 | C96 | 109.2° | 109.1° |
| C86 | C95 | O89 | 110.6° | 109.6° |
| C95 | C86 | H87 | 108.9° | 109.5° |
| C86 | C95 | H121 | 109.7° | 109.5° |
| N13 | C14 | C7 | 104.0° | 109.5° |
| C14 | N13 | N18 | 125.1° | 125.9° |
| C14 | N13 | C15 | 125.0° | 125.9° |
| N13 | C14 | H42 | 112.1° | 109.5° |
| C14 | C7 | C2 | 109.0° | 109.0° |
| C14 | C7 | O5 | 110.1° | 109.5° |
| C7 | C14 | H42 | 110.7° | 109.5° |
| C14 | C7 | H38 | 109.0° | 109.6° |
| N90 | C92 | C96 | 101.7° | 109.5° |
| C92 | N90 | N97 | 125.9° | 125.9° |
| C92 | N90 | CA0 | 124.2° | 125.8° |
| N90 | C92 | H117 | 111.9° | 109.5° |
| C92 | C96 | C95 | 110.0° | 109.0° |
| C92 | C96 | O88 | 109.6° | 109.6° |
| C96 | C92 | H117 | 110.3° | 109.5° |
| C92 | C96 | H122 | 108.6° | 109.6° |
| N90 | N97 | N98 | 106.5° | 110.2° |
| N97 | N90 | CA0 | 109.8° | 108.3° |
| N97 | N98 | C99 | 107.7° | 108.9° |
| N13 | N18 | N17 | 107.0° | 110.2° |
| N18 | N13 | C15 | 109.9° | 108.2° |
| N18 | N17 | C16 | 107.2° | 108.9° |
| C64 | C61 | O72 | 109.7° | 109.6° |
| C61 | C64 | O73 | 109.0° | 109.5° |
| C64 | C61 | H75 | 108.5° | 109.6° |
| C61 | C64 | H77 | 109.1° | 109.5° |
| O72 | C61 | H75 | 110.1° | 109.6° |
| C61 | O72 | H82 | 109.5° | 114.0° |
| O73 | C64 | H77 | 110.9° | 109.5° |
| C64 | O73 | H83 | 109.5° | 114.0° |
| N90 | CA0 | C99 | 106.3° | 106.2° |
| N90 | CA0 | H123 | 126.9° | 126.9° |
| N13 | C15 | C16 | 105.8° | 106.2° |
| N13 | C15 | H43 | 127.1° | 126.9° |
| N98 | C99 | CA0 | 109.7° | 106.5° |
| N98 | C99 | CA1 | 125.3° | 126.7° |
| N17 | C16 | C15 | 110.1° | 106.5° |
| N17 | C16 | C19 | 124.6° | 126.7° |
| C7 | C2 | O32 | 106.9° | 109.5° |
| C2 | C7 | O5 | 109.7° | 109.6° |
| C2 | C7 | H38 | 109.0° | 109.6° |
| C7 | C2 | H34 | 109.3° | 109.6° |
| O32 | C2 | H34 | 110.7° | 109.5° |
| C2 | O32 | H57 | 109.5° | 114.0° |
| C15 | C16 | C19 | 125.3° | 126.8° |
| C16 | C15 | H43 | 127.1° | 126.9° |
| C96 | C95 | O89 | 106.8° | 109.5° |
| C95 | C96 | O88 | 109.9° | 109.5° |
| C96 | C95 | H121 | 109.7° | 109.5° |
| C95 | C96 | H122 | 108.8° | 109.5° |
| C95 | O89 | H115 | 109.5° | 114.0° |
| O89 | C95 | H121 | 110.7° | 109.6° |
| CA0 | C99 | CA1 | 125.0° | 126.7° |
| C99 | CA0 | H123 | 126.9° | 126.9° |
| O5 | C7 | H38 | 110.1° | 109.5° |
| C7 | O5 | H36 | 109.5° | 114.0° |
| C99 | CA1 | OA2 | 105.2° | 109.5° |
| C99 | CA1 | H125 | 110.5° | 109.5° |
| C99 | CA1 | H124 | 110.5° | 109.4° |
| C16 | C19 | O20 | 104.7° | 109.5° |
| C16 | C19 | H45 | 110.6° | 109.5° |
| C16 | C19 | H44 | 110.6° | 109.5° |
| C96 | O88 | H114 | 109.5° | 114.0° |
| O88 | C96 | H122 | 109.9° | 109.7° |
| CA1 | OA2 | CA8 | 109.8° | 114.0° |
| OA2 | CA1 | H125 | 110.5° | 109.5° |
| OA2 | CA1 | H124 | 110.6° | 109.5° |
| C19 | O20 | C22 | 108.8° | 114.0° |
| O20 | C19 | H45 | 110.7° | 109.4° |
| O20 | C19 | H44 | 110.6° | 109.5° |
| OA2 | CA8 | CA7 | 110.3° | 109.5° |
| OA2 | CA8 | OA3 | 107.0° | 109.5° |
| OA2 | CA8 | H130 | 110.3° | 109.4° |
| O30 | C27 | C22 | 110.1° | 109.6° |
| O30 | C27 | C28 | 107.9° | 109.5° |
| O30 | C27 | H51 | 110.4° | 109.6° |
| C27 | O30 | H55 | 109.5° | 114.0° |
| O20 | C22 | C27 | 109.3° | 109.5° |
| O20 | C22 | O21 | 108.3° | 109.5° |
| O20 | C22 | H46 | 110.4° | 109.4° |
| OA9 | CA7 | CA8 | 110.7° | 109.6° |
| OA9 | CA7 | CA6 | 108.6° | 109.5° |
| OA9 | CA7 | H129 | 110.5° | 109.5° |
| CA7 | OA9 | H131 | 109.5° | 114.0° |
| C27 | C22 | O21 | 110.6° | 109.5° |
| C22 | C27 | C28 | 109.0° | 109.2° |
| C27 | C22 | H46 | 108.6° | 109.5° |
| C22 | C27 | H51 | 109.7° | 109.5° |
| C22 | O21 | C24 | 111.6° | 114.1° |
| O21 | C22 | H46 | 109.7° | 109.4° |
| CA7 | CA8 | OA3 | 111.1° | 109.4° |
| CA8 | CA7 | CA6 | 108.3° | 109.1° |
| CA8 | CA7 | H129 | 109.3° | 109.5° |
| CA7 | CA8 | H130 | 108.6° | 109.5° |
| CA8 | OA3 | CA4 | 109.4° | 114.1° |
| OA3 | CA8 | H130 | 109.6° | 109.5° |
| C27 | C28 | O26 | 110.6° | 109.6° |
| C27 | C28 | C23 | 109.6° | 109.0° |
| C28 | C27 | H51 | 109.8° | 109.5° |
| C27 | C28 | H52 | 108.3° | 109.5° |
| CA7 | CA6 | OB0 | 110.0° | 109.5° |
| CA7 | CA6 | CA5 | 110.8° | 109.0° |
| CA7 | CA6 | H128 | 108.6° | 109.6° |
| CA6 | CA7 | H129 | 109.5° | 109.5° |
| O21 | C24 | C23 | 112.4° | 109.4° |
| O21 | C24 | C29 | 106.8° | 109.5° |
| O21 | C24 | H48 | 110.0° | 109.4° |
| OA3 | CA4 | CA5 | 113.5° | 109.4° |
| OA3 | CA4 | CB3 | 107.3° | 109.5° |
| OA3 | CA4 | H126 | 110.4° | 109.5° |
| O26 | C28 | C23 | 110.6° | 109.6° |
| C28 | O26 | H50 | 109.5° | 114.1° |
| O26 | C28 | H52 | 109.8° | 109.5° |
| C28 | C23 | C24 | 110.7° | 109.2° |
| C28 | C23 | O25 | 106.6° | 109.5° |
| C28 | C23 | H47 | 108.3° | 109.6° |
| C23 | C28 | H52 | 107.8° | 109.6° |
| OB0 | CA6 | CA5 | 109.0° | 109.5° |
| OB0 | CA6 | H128 | 109.9° | 109.6° |
| CA6 | OB0 | H132 | 109.5° | 114.1° |
| CA6 | CA5 | CA4 | 109.6° | 109.2° |
| CA6 | CA5 | OB1 | 107.1° | 109.5° |
| CA6 | CA5 | H127 | 109.3° | 109.6° |
| CA5 | CA6 | H128 | 108.5° | 109.6° |
| CA5 | CA4 | CB3 | 108.9° | 109.5° |
| CA4 | CA5 | OB1 | 111.3° | 109.5° |
| CA5 | CA4 | H126 | 108.4° | 109.5° |
| CA4 | CA5 | H127 | 109.2° | 109.5° |
| CA4 | CB3 | OB2 | 109.5° | 109.4° |
| CB3 | CA4 | H126 | 108.3° | 109.5° |
| CA4 | CB3 | H135 | 109.5° | 109.5° |
| CA4 | CB3 | H136 | 109.5° | 109.5° |
| C23 | C24 | C29 | 111.2° | 109.5° |
| C24 | C23 | O25 | 112.8° | 109.5° |
| C24 | C23 | H47 | 108.8° | 109.5° |
| C23 | C24 | H48 | 108.5° | 109.5° |
| C24 | C29 | O31 | 110.9° | 109.5° |
| C29 | C24 | H48 | 107.8° | 109.5° |
| C24 | C29 | H53 | 109.1° | 109.5° |
| C24 | C29 | H54 | 109.1° | 109.5° |
| O25 | C23 | H47 | 109.6° | 109.5° |
| C23 | O25 | H49 | 109.5° | 114.0° |
| OB1 | CA5 | H127 | 110.3° | 109.6° |
| CA5 | OB1 | H133 | 109.5° | 114.0° |
| CB3 | OB2 | H134 | 109.5° | 114.0° |
| OB2 | CB3 | H135 | 109.5° | 109.5° |
| OB2 | CB3 | H136 | 109.4° | 109.4° |
| O31 | C29 | H53 | 109.1° | 109.5° |
| O31 | C29 | H54 | 109.1° | 109.5° |
| C29 | O31 | H56 | 109.5° | 114.0° |
| H39 | C8 | H40 | 109.5° | 109.4° |
| H45 | C19 | H44 | 109.5° | 109.4° |
| H53 | C29 | H54 | 109.5° | 109.5° |
| H80 | C71 | H81 | 109.5° | 109.5° |
| H119 | C94 | H120 | 109.5° | 109.4° |
| H125 | CA1 | H124 | 109.5° | 109.5° |
| H135 | CB3 | H136 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O74 | C71 | C62 | H80 | 120.2° | 119.9° |
| O74 | C71 | C62 | H81 | 120.2° | 120.0° |
| O74 | C71 | C62 | O70 | 84.7° | 65.0° |
| O74 | C71 | C62 | C59 | 36.0° | 175.0° |
| O74 | C71 | C62 | H76 | 155.7° | 55.0° |
| O74 | C71 | H80 | H81 | 119.2° | 120.0° |
| C71 | C62 | O70 | C59 | 122.4° | 119.9° |
| C71 | C62 | O70 | H76 | 118.9° | 120.1° |
| C71 | C62 | C59 | H76 | 120.0° | 120.0° |
| C71 | C62 | O70 | C68 | 173.6° | 178.9° |
| C71 | C62 | C59 | N4 | 65.7° | 62.5° |
| C71 | C62 | C59 | C61 | 176.8° | 177.5° |
| C71 | C62 | C59 | H60 | 54.5° | 57.7° |
| C62 | C71 | H80 | H81 | 119.3° | 120.1° |
| C62 | C71 | O74 | H84 | 180.0° | 180.0° |
| O33 | C8 | C6 | H39 | 120.0° | 120.1° |
| O33 | C8 | C6 | H40 | 120.0° | 120.0° |
| O33 | C8 | C6 | O9 | 71.5° | 65.0° |
| O33 | C8 | C6 | C14 | 45.4° | 175.0° |
| O33 | C8 | C6 | H37 | 165.9° | 55.0° |
| O33 | C8 | H39 | H40 | 120.0° | 120.0° |
| O91 | C94 | C93 | H119 | 120.2° | 120.0° |
| O91 | C94 | C93 | H120 | 120.2° | 120.0° |
| O91 | C94 | C93 | O85 | 86.2° | 65.0° |
| O91 | C94 | C93 | C92 | 31.8° | 175.0° |
| O91 | C94 | C93 | H118 | 153.2° | 55.0° |
| O91 | C94 | H119 | H120 | 119.4° | 120.0° |
| C94 | C93 | O85 | C92 | 122.1° | 120.0° |
| C94 | C93 | O85 | H118 | 119.9° | 120.0° |
| C94 | C93 | O85 | C86 | 170.2° | 178.8° |
| C94 | C93 | C92 | H118 | 121.3° | 120.0° |
| C94 | C93 | C92 | N90 | 64.0° | 62.4° |
| C94 | C93 | C92 | C96 | 176.5° | 177.6° |
| C93 | C94 | O91 | H116 | 180.0° | 179.9° |
| C94 | C93 | C92 | H117 | 61.0° | 57.7° |
| C93 | C94 | H119 | H120 | 119.5° | 119.9° |
| C8 | C6 | O9 | C14 | 120.9° | 120.1° |
| C8 | C6 | O9 | H37 | 121.5° | 120.0° |
| C8 | C6 | O9 | C10 | 178.8° | 178.8° |
| C8 | C6 | C14 | H37 | 120.5° | 120.0° |
| C8 | C6 | C14 | N13 | 62.5° | 62.4° |
| C8 | C6 | C14 | C7 | 176.2° | 177.6° |
| C8 | C6 | C14 | H42 | 61.7° | 57.7° |
| C6 | C8 | H39 | H40 | 120.0° | 119.9° |
| C6 | C8 | O33 | H58 | 180.0° | 180.0° |
| O70 | C62 | C59 | H76 | 119.6° | 120.0° |
| O70 | C62 | C59 | N4 | 173.9° | 177.6° |
| O70 | C62 | C59 | C61 | 56.4° | 57.6° |
| C62 | O70 | C68 | N65 | 173.7° | 178.9° |
| C62 | O70 | C68 | C64 | 67.6° | 61.2° |
| O70 | C62 | C59 | H60 | 65.8° | 62.3° |
| C62 | O70 | C68 | H78 | 53.3° | 58.8° |
| O70 | C62 | C71 | H80 | 155.1° | 175.0° |
| O70 | C62 | C71 | H81 | 35.5° | 54.9° |
| C59 | C62 | O70 | C68 | 64.0° | 61.2° |
| C62 | C59 | N4 | N1 | 111.4° | 95.3° |
| C62 | C59 | N4 | C61 | 119.7° | 119.7° |
| C62 | C59 | N4 | H60 | 119.6° | 120.2° |
| C62 | C59 | N4 | C3 | 68.3° | 85.0° |
| C62 | C59 | C61 | H60 | 121.8° | 119.9° |
| C62 | C59 | C61 | C64 | 51.9° | 56.9° |
| C62 | C59 | C61 | O72 | 172.5° | 176.8° |
| C62 | C59 | C61 | H75 | 66.9° | 63.0° |
| C59 | C62 | C71 | H80 | 84.3° | 55.1° |
| C59 | C62 | C71 | H81 | 156.2° | 65.0° |
| O70 | C68 | N65 | N67 | 89.7° | 64.9° |
| O70 | C68 | N65 | C64 | 118.6° | 119.9° |
| O70 | C68 | N65 | H78 | 120.8° | 120.1° |
| O70 | C68 | N65 | C69 | 89.0° | 115.0° |
| O70 | C68 | C64 | H78 | 122.0° | 120.0° |
| O70 | C68 | C64 | C61 | 61.2° | 57.6° |
| O70 | C68 | C64 | O73 | 179.6° | 177.5° |
| C68 | O70 | C62 | H76 | 54.6° | 58.8° |
| O70 | C68 | C64 | H77 | 57.6° | 62.3° |
| N12 | N1 | N4 | C59 | 179.8° | 180.0° |
| N12 | N1 | N4 | C3 | 0.4° | 0.3° |
| N1 | N12 | C11 | C3 | 0.0° | 0.4° |
| N1 | N12 | C11 | C10 | 179.8° | 179.9° |
| N4 | N1 | N12 | C11 | 0.2° | 0.4° |
| N1 | N4 | C59 | C3 | 179.8° | 179.7° |
| N1 | N4 | C59 | C61 | 128.9° | 145.0° |
| N1 | N4 | C3 | C11 | 0.4° | 0.0° |
| N1 | N4 | C3 | H35 | 179.6° | 180.0° |
| N1 | N4 | C59 | H60 | 8.2° | 24.9° |
| N12 | C11 | C10 | O9 | 42.5° | 64.6° |
| N12 | C11 | C3 | N4 | 0.2° | 0.2° |
| N12 | C11 | C3 | C10 | 179.8° | 179.7° |
| N12 | C11 | C10 | C2 | 80.6° | 55.3° |
| N12 | C11 | C10 | H41 | 162.2° | 175.4° |
| N12 | C11 | C3 | H35 | 179.8° | 179.8° |
| O9 | C6 | C14 | H37 | 118.9° | 120.0° |
| C6 | O9 | C10 | C11 | 172.8° | 178.8° |
| C6 | O9 | C10 | C2 | 53.6° | 61.1° |
| O9 | C6 | C14 | N13 | 176.9° | 177.5° |
| O9 | C6 | C14 | C7 | 63.2° | 57.6° |
| O9 | C6 | C14 | H42 | 58.9° | 62.4° |
| O9 | C6 | C8 | H39 | 168.5° | 174.9° |
| O9 | C6 | C8 | H40 | 48.5° | 55.0° |
| C6 | O9 | C10 | H41 | 68.8° | 58.8° |
| C10 | O9 | C6 | C14 | 60.4° | 61.1° |
| O9 | C10 | C11 | C3 | 137.8° | 115.1° |
| O9 | C10 | C11 | C2 | 123.1° | 119.9° |
| O9 | C10 | C11 | H41 | 119.7° | 120.0° |
| O9 | C10 | C2 | H41 | 123.4° | 119.9° |
| O9 | C10 | C2 | C7 | 45.5° | 57.6° |
| O9 | C10 | C2 | O32 | 163.4° | 177.5° |
| C10 | O9 | C6 | H37 | 57.3° | 58.8° |
| O9 | C10 | C2 | H34 | 74.4° | 62.3° |
| O85 | C93 | C92 | H118 | 118.7° | 119.9° |
| C93 | O85 | C86 | C63 | 174.3° | 178.8° |
| C93 | O85 | C86 | C95 | 66.3° | 61.2° |
| O85 | C93 | C92 | N90 | 176.0° | 177.5° |
| O85 | C93 | C92 | C96 | 63.5° | 57.6° |
| C93 | O85 | C86 | H87 | 55.5° | 58.9° |
| O85 | C93 | C92 | H117 | 59.0° | 62.3° |
| O85 | C93 | C94 | H119 | 153.7° | 55.0° |
| O85 | C93 | C94 | H120 | 34.0° | 175.0° |
| C86 | O85 | C93 | C92 | 67.7° | 61.1° |
| O85 | C86 | C63 | N66 | 47.2° | 65.3° |
| O85 | C86 | C63 | C69 | 132.9° | 115.0° |
| O85 | C86 | C63 | C95 | 122.4° | 120.0° |
| O85 | C86 | C63 | H87 | 119.4° | 120.0° |
| O85 | C86 | C95 | H87 | 122.4° | 120.0° |
| O85 | C86 | C95 | C96 | 55.5° | 57.6° |
| O85 | C86 | C95 | O89 | 172.8° | 177.5° |
| C86 | O85 | C93 | H118 | 50.3° | 58.8° |
| O85 | C86 | C95 | H121 | 64.8° | 62.2° |
| C6 | C14 | N13 | C7 | 117.2° | 119.7° |
| C6 | C14 | N13 | H42 | 123.2° | 120.2° |
| C6 | C14 | C7 | H42 | 122.0° | 120.0° |
| C6 | C14 | N13 | N18 | 31.3° | 95.6° |
| C6 | C14 | N13 | C15 | 151.2° | 84.7° |
| C6 | C14 | C7 | C2 | 61.7° | 57.0° |
| C6 | C14 | C7 | O5 | 177.9° | 176.8° |
| C6 | C14 | C7 | H38 | 57.1° | 63.0° |
| C14 | C6 | C8 | H39 | 74.6° | 54.9° |
| C14 | C6 | C8 | H40 | 165.4° | 65.0° |
| C93 | C92 | N90 | C96 | 118.0° | 119.7° |
| C93 | C92 | N90 | H117 | 124.2° | 120.2° |
| C93 | C92 | C96 | H117 | 122.6° | 120.0° |
| C93 | C92 | N90 | N97 | 32.8° | 94.9° |
| C93 | C92 | N90 | CA0 | 151.1° | 84.7° |
| C93 | C92 | C96 | C95 | 54.7° | 57.0° |
| C93 | C92 | C96 | O88 | 175.7° | 176.8° |
| C92 | C93 | C94 | H119 | 88.4° | 64.9° |
| C92 | C93 | C94 | H120 | 151.9° | 55.0° |
| C93 | C92 | C96 | H122 | 64.2° | 62.8° |
| N4 | C59 | C61 | H60 | 120.9° | 120.2° |
| C59 | N4 | C3 | C11 | 179.8° | 179.7° |
| N4 | C59 | C61 | C64 | 169.1° | 176.9° |
| N4 | C59 | C61 | O72 | 70.2° | 63.2° |
| C59 | N4 | C3 | H35 | 0.2° | 0.3° |
| N4 | C59 | C61 | H75 | 50.4° | 57.0° |
| N4 | C59 | C62 | H76 | 54.3° | 57.5° |
| C3 | N4 | C59 | C61 | 51.3° | 34.7° |
| N4 | C3 | C11 | H35 | 180.0° | 180.0° |
| N4 | C3 | C11 | C10 | 179.6° | 180.0° |
| C3 | N4 | C59 | H60 | 172.0° | 154.8° |
| C59 | C61 | C64 | C68 | 53.4° | 57.0° |
| C59 | C61 | C64 | O72 | 120.7° | 119.9° |
| C59 | C61 | C64 | H75 | 119.0° | 119.8° |
| C59 | C61 | O72 | H75 | 119.9° | 120.2° |
| C59 | C61 | C64 | O73 | 173.4° | 176.9° |
| C61 | C59 | C62 | H76 | 63.2° | 62.4° |
| C59 | C61 | C64 | H77 | 65.4° | 63.0° |
| C59 | C61 | O72 | H82 | 180.0° | 180.0° |
| N66 | N67 | N65 | C68 | 179.5° | 180.0° |
| N66 | N67 | N65 | C69 | 0.6° | 0.0° |
| N67 | N66 | C63 | C69 | 0.0° | 0.0° |
| N67 | N66 | C63 | C86 | 179.9° | 179.7° |
| N65 | N67 | N66 | C63 | 0.4° | 0.0° |
| N67 | N65 | C68 | C69 | 178.7° | 180.0° |
| N67 | N65 | C68 | C64 | 151.7° | 55.0° |
| N67 | N65 | C69 | C63 | 0.6° | 0.0° |
| N67 | N65 | C68 | H78 | 31.1° | 175.0° |
| N67 | N65 | C69 | H79 | 179.4° | 179.7° |
| N66 | C63 | C69 | N65 | 0.3° | 0.0° |
| N66 | C63 | C69 | C86 | 179.9° | 179.7° |
| N66 | C63 | C86 | C95 | 75.3° | 54.6° |
| N66 | C63 | C69 | H79 | 179.7° | 179.7° |
| N66 | C63 | C86 | H87 | 166.6° | 174.7° |
| C3 | C11 | C10 | C2 | 99.1° | 125.0° |
| C3 | C11 | C10 | H41 | 18.1° | 4.9° |
| C11 | C10 | C2 | H41 | 117.1° | 120.1° |
| C11 | C10 | C2 | C7 | 165.0° | 177.6° |
| C11 | C10 | C2 | O32 | 77.1° | 62.5° |
| C10 | C11 | C3 | H35 | 0.4° | 0.0° |
| C11 | C10 | C2 | H34 | 45.1° | 57.6° |
| N65 | C68 | C64 | H78 | 121.3° | 120.0° |
| C68 | N65 | C69 | C63 | 179.5° | 180.0° |
| N65 | C68 | C64 | C61 | 177.9° | 177.6° |
| N65 | C68 | C64 | O73 | 62.9° | 62.5° |
| N65 | C68 | C64 | H77 | 59.1° | 57.7° |
| C68 | N65 | C69 | H79 | 0.5° | 0.3° |
| C69 | N65 | C68 | C64 | 29.6° | 125.0° |
| N65 | C69 | C63 | H79 | 180.0° | 179.7° |
| N65 | C69 | C63 | C86 | 179.6° | 179.7° |
| C69 | N65 | C68 | H78 | 150.2° | 5.0° |
| C68 | C64 | C61 | O73 | 120.0° | 119.9° |
| C68 | C64 | C61 | H77 | 118.8° | 120.0° |
| C68 | C64 | C61 | O72 | 174.1° | 176.8° |
| C68 | C64 | O73 | H77 | 121.0° | 120.2° |
| C68 | C64 | C61 | H75 | 65.6° | 62.9° |
| C68 | C64 | O73 | H83 | 180.0° | 60.3° |
| C69 | C63 | C86 | C95 | 104.6° | 125.0° |
| C69 | C63 | C86 | H87 | 13.5° | 5.0° |
| C63 | C86 | C95 | H87 | 118.1° | 120.0° |
| C63 | C86 | C95 | C96 | 175.1° | 177.6° |
| C63 | C86 | C95 | O89 | 67.7° | 62.5° |
| C86 | C63 | C69 | H79 | 0.4° | 0.0° |
| C63 | C86 | C95 | H121 | 54.8° | 57.7° |
| C10 | C2 | C7 | C14 | 50.7° | 57.0° |
| C10 | C2 | C7 | O32 | 120.3° | 119.9° |
| C10 | C2 | C7 | H34 | 119.8° | 120.0° |
| C10 | C2 | O32 | H34 | 121.3° | 120.1° |
| C10 | C2 | C7 | O5 | 171.3° | 176.9° |
| C10 | C2 | C7 | H38 | 68.1° | 62.9° |
| C10 | C2 | O32 | H57 | 180.0° | 60.0° |
| C86 | C95 | C96 | C92 | 48.5° | 57.0° |
| C86 | C95 | C96 | O89 | 119.6° | 119.9° |
| C86 | C95 | C96 | H121 | 120.3° | 119.9° |
| C86 | C95 | O89 | H121 | 121.8° | 120.2° |
| C86 | C95 | C96 | O88 | 169.3° | 176.8° |
| C86 | C95 | O89 | H115 | 180.0° | 60.0° |
| C86 | C95 | C96 | H122 | 70.3° | 62.9° |
| N13 | C14 | C7 | H42 | 120.6° | 120.1° |
| C14 | N13 | N18 | C15 | 177.8° | 179.8° |
| C14 | N13 | N18 | N17 | 178.8° | 179.9° |
| N13 | C14 | C7 | C2 | 179.1° | 176.9° |
| C14 | N13 | C15 | C16 | 178.9° | 180.0° |
| N13 | C14 | C7 | O5 | 60.5° | 63.2° |
| N13 | C14 | C6 | H37 | 58.0° | 57.5° |
| N13 | C14 | C7 | H38 | 60.3° | 56.9° |
| C14 | N13 | C15 | H43 | 1.1° | 0.0° |
| C7 | C14 | N13 | N18 | 85.9° | 144.7° |
| C7 | C14 | N13 | C15 | 91.6° | 35.0° |
| C14 | C7 | C2 | O5 | 120.6° | 119.9° |
| C14 | C7 | C2 | H38 | 118.8° | 119.9° |
| C14 | C7 | C2 | O32 | 171.0° | 176.9° |
| C14 | C7 | O5 | H38 | 120.1° | 120.2° |
| C7 | C14 | C6 | H37 | 55.7° | 62.4° |
| C14 | C7 | C2 | H34 | 69.1° | 63.0° |
| C14 | C7 | O5 | H36 | 180.0° | 180.0° |
| N90 | C92 | C96 | H117 | 118.8° | 120.0° |
| C92 | N90 | N97 | CA0 | 176.6° | 179.7° |
| C92 | N90 | N97 | N98 | 178.2° | 179.7° |
| N90 | C92 | C96 | C95 | 173.3° | 176.9° |
| C92 | N90 | CA0 | C99 | 178.3° | 179.7° |
| N90 | C92 | C96 | O88 | 65.7° | 63.2° |
| N90 | C92 | C93 | H118 | 57.3° | 57.6° |
| N90 | C92 | C96 | H122 | 54.3° | 57.1° |
| C92 | N90 | CA0 | H123 | 1.7° | 0.0° |
| C96 | C92 | N90 | N97 | 85.3° | 145.3° |
| C96 | C92 | N90 | CA0 | 90.9° | 35.1° |
| C92 | C96 | C95 | O88 | 120.8° | 119.9° |
| C92 | C96 | C95 | H122 | 118.8° | 119.8° |
| C92 | C96 | C95 | O89 | 168.1° | 176.9° |
| C92 | C96 | O88 | H122 | 119.2° | 120.3° |
| C92 | C96 | O88 | H114 | 180.0° | 180.0° |
| C96 | C92 | C93 | H118 | 55.2° | 62.3° |
| C92 | C96 | C95 | H121 | 71.8° | 62.9° |
| N90 | N97 | N98 | C99 | 1.0° | 0.1° |
| N97 | N90 | CA0 | C99 | 1.6° | 0.0° |
| N97 | N90 | C92 | H117 | 157.0° | 25.3° |
| N97 | N90 | CA0 | H123 | 178.4° | 179.7° |
| N98 | N97 | N90 | CA0 | 1.6° | 0.1° |
| N97 | N98 | C99 | CA0 | 0.0° | 0.1° |
| N97 | N98 | C99 | CA1 | 179.9° | 180.0° |
| N13 | N18 | N17 | C16 | 0.4° | 0.4° |
| N18 | N13 | C15 | C16 | 1.1° | 0.2° |
| N18 | N13 | C14 | H42 | 154.5° | 24.6° |
| N18 | N13 | C15 | H43 | 178.9° | 179.8° |
| N17 | N18 | N13 | C15 | 0.9° | 0.3° |
| N18 | N17 | C16 | C15 | 0.3° | 0.2° |
| N18 | N17 | C16 | C19 | 179.2° | 179.8° |
| C64 | C61 | O72 | H75 | 119.4° | 120.3° |
| C61 | C64 | O73 | H77 | 120.1° | 120.1° |
| C64 | C61 | C59 | H60 | 70.0° | 63.0° |
| C61 | C64 | C68 | H78 | 60.8° | 62.4° |
| C64 | C61 | O72 | H82 | 59.3° | 60.4° |
| C61 | C64 | O73 | H83 | 61.1° | 180.0° |
| O72 | C61 | C64 | O73 | 65.9° | 63.2° |
| O72 | C61 | C59 | H60 | 50.7° | 56.9° |
| O72 | C61 | C64 | H77 | 55.3° | 56.9° |
| O73 | C64 | C61 | H75 | 54.4° | 57.0° |
| O73 | C64 | C68 | H78 | 58.4° | 57.5° |
| N90 | CA0 | C99 | N98 | 1.0° | 0.0° |
| N90 | CA0 | C99 | H123 | 180.0° | 179.7° |
| N90 | CA0 | C99 | CA1 | 179.1° | 179.9° |
| CA0 | N90 | C92 | H117 | 26.9° | 155.1° |
| N13 | C15 | C16 | N17 | 0.9° | 0.0° |
| N13 | C15 | C16 | H43 | 180.0° | 180.0° |
| N13 | C15 | C16 | C19 | 179.7° | 180.0° |
| C15 | N13 | C14 | H42 | 28.0° | 155.1° |
| N98 | C99 | CA0 | CA1 | 179.9° | 179.9° |
| N98 | C99 | CA1 | OA2 | 64.6° | 180.0° |
| N98 | C99 | CA0 | H123 | 179.1° | 179.8° |
| N98 | C99 | CA1 | H125 | 176.1° | 59.9° |
| N98 | C99 | CA1 | H124 | 54.7° | 60.1° |
| N17 | C16 | C15 | C19 | 178.9° | 179.9° |
| N17 | C16 | C19 | O20 | 62.4° | 180.0° |
| N17 | C16 | C15 | H43 | 179.1° | 180.0° |
| N17 | C16 | C19 | H45 | 178.3° | 60.0° |
| N17 | C16 | C19 | H44 | 56.8° | 60.0° |
| C7 | C2 | O32 | H34 | 119.0° | 120.2° |
| C2 | C7 | O5 | H38 | 119.9° | 120.3° |
| C2 | C7 | C14 | H42 | 60.3° | 63.0° |
| C7 | C2 | C10 | H41 | 78.0° | 62.3° |
| C2 | C7 | O5 | H36 | 60.1° | 60.5° |
| C7 | C2 | O32 | H57 | 60.3° | 179.7° |
| O32 | C2 | C7 | O5 | 68.4° | 63.2° |
| O32 | C2 | C7 | H38 | 52.2° | 57.0° |
| O32 | C2 | C10 | H41 | 39.9° | 57.6° |
| C15 | C16 | C19 | O20 | 116.3° | 0.1° |
| C15 | C16 | C19 | H45 | 3.0° | 120.0° |
| C15 | C16 | C19 | H44 | 124.5° | 120.0° |
| C96 | C95 | O89 | H121 | 119.5° | 120.1° |
| C95 | C96 | O88 | H122 | 119.7° | 120.2° |
| C96 | C95 | C86 | H87 | 66.9° | 62.4° |
| C95 | C96 | O88 | H114 | 58.9° | 60.5° |
| C96 | C95 | O89 | H115 | 61.3° | 179.7° |
| C95 | C96 | C92 | H117 | 67.9° | 63.0° |
| O89 | C95 | C96 | O88 | 71.1° | 63.2° |
| O89 | C95 | C86 | H87 | 50.4° | 57.5° |
| O89 | C95 | C96 | H122 | 49.3° | 57.0° |
| CA0 | C99 | CA1 | OA2 | 115.3° | 0.1° |
| CA0 | C99 | CA1 | H125 | 4.0° | 120.0° |
| CA0 | C99 | CA1 | H124 | 125.4° | 120.0° |
| O5 | C7 | C14 | H42 | 60.0° | 56.9° |
| O5 | C7 | C2 | H34 | 51.5° | 56.9° |
| C99 | CA1 | OA2 | H125 | 119.3° | 120.0° |
| C99 | CA1 | OA2 | H124 | 119.3° | 120.0° |
| C99 | CA1 | OA2 | CA8 | 174.7° | 180.0° |
| CA1 | C99 | CA0 | H123 | 0.8° | 0.3° |
| C99 | CA1 | H125 | H124 | 122.0° | 120.0° |
| C16 | C19 | O20 | H45 | 119.2° | 120.0° |
| C16 | C19 | O20 | H44 | 119.2° | 120.1° |
| C16 | C19 | O20 | C22 | 173.2° | 180.0° |
| C19 | C16 | C15 | H43 | 0.3° | 0.0° |
| C16 | C19 | H45 | H44 | 122.2° | 120.0° |
| O88 | C96 | C92 | H117 | 53.1° | 56.8° |
| O88 | C96 | C95 | H121 | 49.0° | 56.9° |
| CA1 | OA2 | CA8 | CA7 | 137.1° | 175.0° |
| CA1 | OA2 | CA8 | OA3 | 101.9° | 65.0° |
| OA2 | CA1 | H125 | H124 | 122.0° | 120.0° |
| CA1 | OA2 | CA8 | H130 | 17.2° | 55.0° |
| C19 | O20 | C22 | C27 | 139.1° | 175.0° |
| C19 | O20 | C22 | O21 | 100.4° | 65.0° |
| O20 | C19 | H45 | H44 | 122.2° | 120.0° |
| C19 | O20 | C22 | H46 | 19.7° | 55.0° |
| OA2 | CA8 | CA7 | OA9 | 62.1° | 62.4° |
| OA2 | CA8 | CA7 | OA3 | 118.4° | 120.0° |
| OA2 | CA8 | CA7 | H130 | 121.0° | 120.0° |
| OA2 | CA8 | OA3 | H130 | 119.5° | 120.0° |
| OA2 | CA8 | CA7 | CA6 | 179.0° | 177.6° |
| OA2 | CA8 | OA3 | CA4 | 176.1° | 178.8° |
| CA8 | OA2 | CA1 | H125 | 66.0° | 60.0° |
| CA8 | OA2 | CA1 | H124 | 55.4° | 60.0° |
| OA2 | CA8 | CA7 | H129 | 59.8° | 57.7° |
| O30 | C27 | C22 | O20 | 62.2° | 62.5° |
| O30 | C27 | C22 | C28 | 118.2° | 119.9° |
| O30 | C27 | C22 | H51 | 121.7° | 120.2° |
| O30 | C27 | C22 | O21 | 178.7° | 177.5° |
| O30 | C27 | C28 | H51 | 120.4° | 120.2° |
| O30 | C27 | C28 | O26 | 63.9° | 63.2° |
| O30 | C27 | C28 | C23 | 173.8° | 176.9° |
| O30 | C27 | C22 | H46 | 58.3° | 57.5° |
| O30 | C27 | C28 | H52 | 56.5° | 56.9° |
| O20 | C22 | C27 | O21 | 119.1° | 120.1° |
| O20 | C22 | C27 | H46 | 120.5° | 120.0° |
| O20 | C22 | O21 | H46 | 120.5° | 120.0° |
| O20 | C22 | C27 | C28 | 179.6° | 177.6° |
| O20 | C22 | O21 | C24 | 177.3° | 178.9° |
| C22 | O20 | C19 | H45 | 67.6° | 60.0° |
| C22 | O20 | C19 | H44 | 53.9° | 60.0° |
| O20 | C22 | C27 | H51 | 59.5° | 57.7° |
| OA9 | CA7 | CA8 | CA6 | 118.9° | 119.9° |
| OA9 | CA7 | CA8 | H129 | 121.9° | 120.2° |
| OA9 | CA7 | CA8 | OA3 | 179.5° | 177.6° |
| OA9 | CA7 | CA6 | H129 | 120.7° | 120.1° |
| OA9 | CA7 | CA6 | OB0 | 64.7° | 63.2° |
| OA9 | CA7 | CA6 | CA5 | 174.7° | 177.0° |
| OA9 | CA7 | CA6 | H128 | 55.7° | 57.0° |
| OA9 | CA7 | CA8 | H130 | 58.9° | 57.5° |
| C27 | C22 | O21 | H46 | 119.8° | 120.0° |
| C22 | C27 | C28 | H51 | 120.1° | 119.9° |
| C27 | C22 | O21 | C24 | 63.0° | 61.1° |
| C22 | C27 | C28 | O26 | 176.5° | 176.9° |
| C22 | C27 | C28 | C23 | 54.3° | 56.9° |
| C22 | C27 | C28 | H52 | 63.0° | 63.0° |
| C22 | C27 | O30 | H55 | 180.0° | 60.0° |
| O21 | C22 | C27 | C28 | 60.5° | 57.5° |
| C22 | O21 | C24 | C23 | 59.2° | 61.1° |
| C22 | O21 | C24 | C29 | 178.5° | 178.9° |
| C22 | O21 | C24 | H48 | 61.9° | 58.9° |
| O21 | C22 | C27 | H51 | 59.6° | 62.3° |
| CA7 | CA8 | OA3 | H130 | 120.0° | 120.0° |
| CA8 | CA7 | CA6 | H129 | 119.1° | 119.9° |
| CA7 | CA8 | OA3 | CA4 | 63.4° | 61.2° |
| CA8 | CA7 | CA6 | OB0 | 175.1° | 176.8° |
| CA8 | CA7 | CA6 | CA5 | 54.5° | 57.0° |
| CA8 | CA7 | CA6 | H128 | 64.6° | 62.9° |
| CA8 | CA7 | OA9 | H131 | 180.0° | 60.2° |
| OA3 | CA8 | CA7 | CA6 | 60.6° | 57.6° |
| CA8 | OA3 | CA4 | CA5 | 60.1° | 61.2° |
| CA8 | OA3 | CA4 | CB3 | 179.6° | 178.9° |
| CA8 | OA3 | CA4 | H126 | 61.8° | 58.8° |
| OA3 | CA8 | CA7 | H129 | 58.6° | 62.3° |
| C27 | C28 | O26 | C23 | 121.6° | 119.6° |
| C27 | C28 | O26 | H52 | 119.5° | 120.1° |
| C27 | C28 | C23 | H52 | 117.7° | 119.9° |
| C27 | C28 | C23 | C24 | 50.8° | 57.0° |
| C27 | C28 | C23 | O25 | 72.2° | 63.0° |
| C28 | C27 | C22 | H46 | 59.9° | 62.4° |
| C27 | C28 | C23 | H47 | 169.9° | 176.9° |
| C27 | C28 | O26 | H50 | 180.0° | 59.9° |
| C28 | C27 | O30 | H55 | 61.2° | 179.8° |
| CA7 | CA6 | OB0 | CA5 | 121.7° | 119.5° |
| CA7 | CA6 | OB0 | H128 | 119.5° | 120.2° |
| CA7 | CA6 | CA5 | H128 | 119.2° | 119.9° |
| CA7 | CA6 | CA5 | CA4 | 50.9° | 57.0° |
| CA7 | CA6 | CA5 | OB1 | 70.0° | 62.9° |
| CA7 | CA6 | CA5 | H127 | 170.5° | 176.9° |
| CA6 | CA7 | CA8 | H130 | 60.0° | 62.4° |
| CA6 | CA7 | OA9 | H131 | 61.3° | 179.9° |
| CA7 | CA6 | OB0 | H132 | 180.0° | 60.5° |
| O21 | C24 | C23 | C28 | 53.0° | 57.6° |
| O21 | C24 | C23 | C29 | 119.7° | 120.0° |
| O21 | C24 | C23 | H48 | 121.9° | 120.0° |
| O21 | C24 | C29 | H48 | 118.2° | 120.0° |
| O21 | C24 | C23 | O25 | 66.3° | 62.3° |
| O21 | C24 | C29 | O31 | 63.6° | 65.0° |
| C24 | O21 | C22 | H46 | 56.8° | 58.9° |
| O21 | C24 | C23 | H47 | 171.8° | 177.5° |
| O21 | C24 | C29 | H53 | 176.2° | 175.0° |
| O21 | C24 | C29 | H54 | 56.6° | 55.0° |
| OA3 | CA4 | CA5 | CA6 | 54.4° | 57.6° |
| OA3 | CA4 | CA5 | CB3 | 119.4° | 120.0° |
| OA3 | CA4 | CA5 | H126 | 123.0° | 120.0° |
| OA3 | CA4 | CB3 | H126 | 119.1° | 120.1° |
| OA3 | CA4 | CA5 | OB1 | 63.9° | 62.3° |
| OA3 | CA4 | CB3 | OB2 | 65.2° | 65.0° |
| OA3 | CA4 | CA5 | H127 | 174.1° | 177.6° |
| CA4 | OA3 | CA8 | H130 | 56.6° | 58.8° |
| OA3 | CA4 | CB3 | H135 | 174.8° | 175.0° |
| OA3 | CA4 | CB3 | H136 | 54.8° | 54.9° |
| O26 | C28 | C23 | H52 | 120.1° | 120.2° |
| O26 | C28 | C23 | C24 | 173.0° | 176.9° |
| O26 | C28 | C23 | O25 | 50.0° | 57.0° |
| O26 | C28 | C23 | H47 | 67.8° | 63.2° |
| O26 | C28 | C27 | H51 | 56.4° | 57.0° |
| C28 | C23 | C24 | O25 | 119.3° | 119.9° |
| C28 | C23 | C24 | H47 | 118.8° | 120.0° |
| C28 | C23 | C24 | C29 | 172.7° | 177.6° |
| C28 | C23 | O25 | H47 | 117.0° | 120.2° |
| C28 | C23 | C24 | H48 | 68.9° | 62.4° |
| C28 | C23 | O25 | H49 | 180.0° | 60.2° |
| C23 | C28 | O26 | H50 | 58.4° | 179.5° |
| C23 | C28 | C27 | H51 | 65.8° | 62.9° |
| OB0 | CA6 | CA5 | H128 | 119.7° | 120.2° |
| OB0 | CA6 | CA5 | CA4 | 172.1° | 176.8° |
| OB0 | CA6 | CA5 | OB1 | 51.2° | 56.9° |
| OB0 | CA6 | CA5 | H127 | 68.3° | 63.2° |
| OB0 | CA6 | CA7 | H129 | 56.0° | 56.9° |
| CA6 | CA5 | CA4 | OB1 | 118.3° | 119.9° |
| CA6 | CA5 | CA4 | H127 | 119.7° | 120.0° |
| CA6 | CA5 | CA4 | CB3 | 173.8° | 177.6° |
| CA6 | CA5 | OB1 | H127 | 118.9° | 120.2° |
| CA6 | CA5 | CA4 | H126 | 68.6° | 62.4° |
| CA5 | CA6 | CA7 | H129 | 64.6° | 62.9° |
| CA5 | CA6 | OB0 | H132 | 58.3° | 180.0° |
| CA6 | CA5 | OB1 | H133 | 180.0° | 60.3° |
| CA5 | CA4 | CB3 | H126 | 117.7° | 120.0° |
| CA4 | CA5 | OB1 | H127 | 121.3° | 120.1° |
| CA5 | CA4 | CB3 | OB2 | 171.6° | 175.1° |
| CA4 | CA5 | CA6 | H128 | 68.3° | 62.9° |
| CA4 | CA5 | OB1 | H133 | 60.3° | 180.0° |
| CA5 | CA4 | CB3 | H135 | 51.6° | 55.1° |
| CA5 | CA4 | CB3 | H136 | 68.4° | 65.0° |
| CB3 | CA4 | CA5 | OB1 | 55.5° | 57.7° |
| CA4 | CB3 | OB2 | H135 | 120.0° | 120.0° |
| CA4 | CB3 | OB2 | H136 | 120.0° | 120.0° |
| CB3 | CA4 | CA5 | H127 | 66.5° | 62.4° |
| CA4 | CB3 | OB2 | H134 | 180.0° | 180.0° |
| CA4 | CB3 | H135 | H136 | 120.0° | 120.1° |
| C23 | C24 | C29 | H48 | 118.8° | 120.0° |
| C24 | C23 | O25 | H47 | 121.4° | 120.1° |
| C23 | C24 | C29 | O31 | 173.4° | 175.1° |
| C24 | C23 | O25 | H49 | 58.3° | 179.8° |
| C24 | C23 | C28 | H52 | 66.9° | 62.9° |
| C23 | C24 | C29 | H53 | 53.2° | 55.0° |
| C23 | C24 | C29 | H54 | 66.4° | 64.9° |
| C29 | C24 | C23 | O25 | 53.4° | 57.7° |
| C24 | C29 | O31 | H53 | 120.2° | 120.0° |
| C24 | C29 | O31 | H54 | 120.2° | 120.0° |
| C29 | C24 | C23 | H47 | 68.4° | 62.5° |
| C24 | C29 | H53 | H54 | 119.3° | 120.0° |
| C24 | C29 | O31 | H56 | 180.0° | 180.0° |
| O25 | C23 | C24 | H48 | 171.8° | 177.7° |
| O25 | C23 | C28 | H52 | 170.1° | 177.1° |
| OB1 | CA5 | CA4 | H126 | 173.1° | 177.7° |
| OB1 | CA5 | CA6 | H128 | 170.9° | 177.2° |
| OB2 | CB3 | CA4 | H126 | 53.9° | 55.1° |
| OB2 | CB3 | H135 | H136 | 120.0° | 120.0° |
| O31 | C29 | C24 | H48 | 54.5° | 55.0° |
| O31 | C29 | H53 | H54 | 119.3° | 120.0° |
| H42 | C14 | C6 | H37 | 177.9° | 177.7° |
| H42 | C14 | C7 | H38 | 179.1° | 177.0° |
| H37 | C6 | C8 | H39 | 45.9° | 65.1° |
| H37 | C6 | C8 | H40 | 74.1° | 175.0° |
| H38 | C7 | C2 | H34 | 172.1° | 177.1° |
| H38 | C7 | O5 | H36 | 59.9° | 59.8° |
| H39 | C8 | O33 | H58 | 60.0° | 59.9° |
| H40 | C8 | O33 | H58 | 60.0° | 60.0° |
| H41 | C10 | C2 | H34 | 162.1° | 177.7° |
| H34 | C2 | O32 | H57 | 58.7° | 60.2° |
| H46 | C22 | C27 | H51 | 180.0° | 177.7° |
| H47 | C23 | C24 | H48 | 49.9° | 57.6° |
| H47 | C23 | O25 | H49 | 63.1° | 60.0° |
| H47 | C23 | C28 | H52 | 52.3° | 57.0° |
| H48 | C24 | C29 | H53 | 65.7° | 65.0° |
| H48 | C24 | C29 | H54 | 174.8° | 175.0° |
| H50 | O26 | C28 | H52 | 60.5° | 60.2° |
| H51 | C27 | C28 | H52 | 176.8° | 177.1° |
| H51 | C27 | O30 | H55 | 58.8° | 60.1° |
| H53 | C29 | O31 | H56 | 59.8° | 60.0° |
| H54 | C29 | O31 | H56 | 59.8° | 60.0° |
| H60 | C59 | C61 | H75 | 171.3° | 177.1° |
| H60 | C59 | C62 | H76 | 174.5° | 177.7° |
| H75 | C61 | C64 | H77 | 175.6° | 177.1° |
| H75 | C61 | O72 | H82 | 60.1° | 59.8° |
| H76 | C62 | C71 | H80 | 35.4° | 64.9° |
| H76 | C62 | C71 | H81 | 84.1° | 175.0° |
| H77 | C64 | C68 | H78 | 179.6° | 177.7° |
| H77 | C64 | O73 | H83 | 59.0° | 59.9° |
| H80 | C71 | O74 | H84 | 59.7° | 60.0° |
| H81 | C71 | O74 | H84 | 59.8° | 60.0° |
| H87 | C86 | C95 | H121 | 172.8° | 177.7° |
| H114 | O88 | C96 | H122 | 60.8° | 59.7° |
| H115 | O89 | C95 | H121 | 58.1° | 60.2° |
| H116 | O91 | C94 | H119 | 59.8° | 60.0° |
| H116 | O91 | C94 | H120 | 59.8° | 60.1° |
| H117 | C92 | C93 | H118 | 177.7° | 177.7° |
| H117 | C92 | C96 | H122 | 173.1° | 177.2° |
| H118 | C93 | C94 | H119 | 33.0° | 175.0° |
| H118 | C93 | C94 | H120 | 86.6° | 65.0° |
| H121 | C95 | C96 | H122 | 169.4° | 177.2° |
| H126 | CA4 | CA5 | H127 | 51.1° | 57.6° |
| H126 | CA4 | CB3 | H135 | 66.1° | 64.9° |
| H126 | CA4 | CB3 | H136 | 173.9° | 175.0° |
| H127 | CA5 | CA6 | H128 | 51.3° | 57.0° |
| H127 | CA5 | OB1 | H133 | 61.1° | 59.9° |
| H128 | CA6 | CA7 | H129 | 176.3° | 177.2° |
| H128 | CA6 | OB0 | H132 | 60.4° | 59.8° |
| H129 | CA7 | CA8 | H130 | 179.2° | 177.7° |
| H129 | CA7 | OA9 | H131 | 58.8° | 59.9° |
| H134 | OB2 | CB3 | H135 | 60.0° | 60.0° |
| H134 | OB2 | CB3 | H136 | 60.0° | 60.1° |
