L0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | S40 | doub | 1.48Å | 1.48Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | S40 | doub | 1.48Å | 1.48Å | |
| O2 | S20 | doub | 1.49Å | 1.49Å | |
| C8 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| S40 | O12 | sing | 1.47Å | 1.47Å | |
| S40 | C36 | sing | 1.61Å | 1.61Å | |
| C9 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| O34 | C2 | doub | 1.22Å | 1.22Å | |
| S20 | O3 | doub | 1.48Å | 1.48Å | |
| S20 | O5 | sing | 1.48Å | 1.48Å | |
| S20 | C16 | sing | 1.60Å | 1.60Å | |
| C6 | C16 | doub | 1.49Å | 1.49Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.48Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C32 | sing | 1.49Å | 1.49Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.49Å | 1.49Å | Aromatic |
| C2 | N3 | sing | 1.34Å | 1.34Å | |
| C2 | C1 | sing | 1.50Å | 1.50Å | |
| C37 | C38 | sing | 1.41Å | 1.41Å | Aromatic |
| O29 | S97 | doub | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N19 | doub | 1.35Å | 1.35Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.48Å | Aromatic |
| C72 | C71 | doub | 1.40Å | 1.40Å | Aromatic |
| C72 | C67 | sing | 1.40Å | 1.40Å | Aromatic |
| O31 | S97 | doub | 1.48Å | 1.48Å | |
| O13 | C45 | doub | 1.22Å | 1.22Å | |
| C34 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C38 | C45 | sing | 1.52Å | 1.52Å | |
| C38 | N39 | doub | 1.36Å | 1.36Å | Aromatic |
| S97 | O30 | sing | 1.48Å | 1.48Å | |
| S97 | C93 | sing | 1.60Å | 1.60Å | |
| C71 | C70 | sing | 1.40Å | 1.40Å | Aromatic |
| C67 | C68 | doub | 1.39Å | 1.39Å | Aromatic |
| O22 | S77 | doub | 1.48Å | 1.48Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| N19 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C45 | N46 | sing | 1.34Å | 1.34Å | |
| O1 | C64 | doub | 1.23Å | 1.23Å | |
| C31 | N39 | sing | 1.36Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.49Å | 1.49Å | Aromatic |
| C18 | C3 | sing | 1.50Å | 1.50Å | |
| O21 | S77 | doub | 1.48Å | 1.48Å | |
| C35 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C70 | C69 | doub | 1.48Å | 1.48Å | Aromatic |
| C70 | C73 | sing | 1.50Å | 1.50Å | Aromatic |
| C93 | C94 | doub | 1.40Å | 1.40Å | Aromatic |
| C93 | C89 | sing | 1.49Å | 1.49Å | Aromatic |
| C68 | C69 | sing | 1.48Å | 1.48Å | Aromatic |
| C68 | N66 | sing | 1.35Å | 1.35Å | |
| S77 | C73 | sing | 1.61Å | 1.61Å | |
| S77 | O23 | sing | 1.48Å | 1.48Å | |
| C30 | N28 | sing | 1.35Å | 1.35Å | |
| C90 | C89 | doub | 1.39Å | 1.39Å | Aromatic |
| C90 | C91 | sing | 1.40Å | 1.40Å | Aromatic |
| C64 | N66 | sing | 1.33Å | 1.33Å | |
| C64 | C58 | sing | 1.50Å | 1.50Å | |
| C28 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| N46 | C22 | sing | 1.36Å | 1.36Å | |
| C94 | C95 | sing | 1.40Å | 1.40Å | Aromatic |
| C89 | C88 | sing | 1.48Å | 1.48Å | Aromatic |
| C69 | N76 | sing | 1.35Å | 1.35Å | Aromatic |
| C73 | C74 | doub | 1.40Å | 1.40Å | Aromatic |
| C91 | C92 | doub | 1.40Å | 1.40Å | Aromatic |
| O20 | S60 | doub | 1.48Å | 1.48Å | |
| C22 | C23 | sing | 1.48Å | 1.48Å | Aromatic |
| C3 | O4 | doub | 1.22Å | 1.22Å | |
| C3 | N5 | sing | 1.33Å | 1.33Å | |
| C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| N28 | C27 | sing | 1.34Å | 1.34Å | |
| C57 | C58 | doub | 1.40Å | 1.40Å | Aromatic |
| C57 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| C58 | N59 | sing | 1.36Å | 1.36Å | Aromatic |
| N5 | C10 | sing | 1.35Å | 1.35Å | |
| C95 | N96 | doub | 1.36Å | 1.36Å | Aromatic |
| C95 | C96 | sing | 1.51Å | 1.51Å | |
| O33 | C96 | doub | 1.33Å | 1.33Å | |
| O19 | S60 | doub | 1.48Å | 1.48Å | |
| C88 | N96 | sing | 1.35Å | 1.35Å | Aromatic |
| C88 | C87 | doub | 1.48Å | 1.48Å | Aromatic |
| N76 | C75 | doub | 1.35Å | 1.35Å | Aromatic |
| C92 | C87 | sing | 1.39Å | 1.39Å | Aromatic |
| C74 | C75 | sing | 1.40Å | 1.40Å | Aromatic |
| S60 | C56 | sing | 1.61Å | 1.61Å | |
| S60 | O18 | sing | 1.48Å | 1.48Å | |
| C27 | O9 | doub | 1.21Å | 1.21Å | |
| C27 | C21 | sing | 1.49Å | 1.49Å | |
| C56 | C52 | doub | 1.49Å | 1.49Å | Aromatic |
| N59 | C51 | doub | 1.35Å | 1.35Å | Aromatic |
| C23 | N41 | doub | 1.34Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.48Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C96 | O32 | sing | 1.22Å | 1.22Å | |
| C87 | N86 | sing | 1.35Å | 1.35Å | |
| N22 | C21 | doub | 1.35Å | 1.35Å | Aromatic |
| N22 | C11 | sing | 1.34Å | 1.34Å | Aromatic |
| C75 | C41 | sing | 1.50Å | 1.50Å | |
| C10 | C11 | doub | 1.47Å | 1.47Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| N41 | C40 | sing | 1.35Å | 1.35Å | Aromatic |
| C24 | C29 | doub | 1.49Å | 1.49Å | Aromatic |
| C51 | C52 | sing | 1.48Å | 1.48Å | Aromatic |
| C51 | C50 | sing | 1.48Å | 1.48Å | Aromatic |
| C52 | C53 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.47Å | Aromatic |
| N86 | C84 | sing | 1.34Å | 1.34Å | |
| C15 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C41 | O24 | doub | 1.22Å | 1.22Å | |
| C41 | N50 | sing | 1.33Å | 1.33Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C53 | C54 | doub | 1.40Å | 1.40Å | Aromatic |
| N49 | C50 | sing | 1.35Å | 1.35Å | |
| N49 | C47 | sing | 1.33Å | 1.33Å | |
| C50 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | C47 | sing | 1.49Å | 1.49Å | |
| C40 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| O28 | C84 | doub | 1.22Å | 1.22Å | |
| C84 | C78 | sing | 1.50Å | 1.50Å | |
| C29 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | S42 | sing | 1.60Å | 1.60Å | |
| O16 | S42 | doub | 1.48Å | 1.48Å | |
| C12 | C19 | sing | 1.48Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N50 | C59 | sing | 1.35Å | 1.35Å | |
| C47 | O17 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | S23 | sing | 1.59Å | 1.59Å | |
| C54 | C55 | sing | 1.40Å | 1.40Å | Aromatic |
| N79 | C78 | doub | 1.35Å | 1.35Å | Aromatic |
| N79 | C60 | sing | 1.34Å | 1.34Å | Aromatic |
| S42 | O14 | doub | 1.48Å | 1.48Å | |
| S42 | O15 | sing | 1.48Å | 1.48Å | |
| C78 | C77 | sing | 1.40Å | 1.40Å | Aromatic |
| C59 | C60 | doub | 1.48Å | 1.48Å | Aromatic |
| C59 | C65 | sing | 1.39Å | 1.39Å | Aromatic |
| O7 | S23 | doub | 1.48Å | 1.48Å | |
| C60 | C61 | sing | 1.48Å | 1.48Å | Aromatic |
| S23 | O8 | doub | 1.48Å | 1.48Å | |
| S23 | O6 | sing | 1.48Å | 1.48Å | |
| C77 | C66 | doub | 1.40Å | 1.40Å | Aromatic |
| C65 | C63 | doub | 1.40Å | 1.40Å | Aromatic |
| C61 | C66 | sing | 1.49Å | 1.49Å | Aromatic |
| C61 | C62 | doub | 1.39Å | 1.39Å | Aromatic |
| C66 | S80 | sing | 1.60Å | 1.60Å | |
| C63 | C62 | sing | 1.40Å | 1.40Å | Aromatic |
| O25 | S80 | doub | 1.48Å | 1.48Å | |
| S80 | O26 | doub | 1.48Å | 1.48Å | |
| S80 | O27 | sing | 1.48Å | 1.48Å | |
| N3 | H1 | sing | 1.00Å | 1.00Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C1 | H4 | sing | 1.10Å | 1.10Å | |
| C1 | H5 | sing | 1.10Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| N5 | H7 | sing | 1.00Å | 1.00Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| N28 | H12 | sing | 1.00Å | 1.00Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| N46 | H17 | sing | 1.00Å | 1.00Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C39 | H23 | sing | 1.08Å | 1.08Å | |
| N49 | H24 | sing | 1.00Å | 1.00Å | |
| C53 | H25 | sing | 1.08Å | 1.08Å | |
| C54 | H26 | sing | 1.08Å | 1.08Å | |
| C55 | H27 | sing | 1.08Å | 1.08Å | |
| C57 | H28 | sing | 1.08Å | 1.08Å | |
| N66 | H29 | sing | 1.00Å | 1.00Å | |
| C67 | H30 | sing | 1.08Å | 1.08Å | |
| C71 | H31 | sing | 1.08Å | 1.08Å | |
| C72 | H32 | sing | 1.08Å | 1.08Å | |
| C74 | H33 | sing | 1.08Å | 1.08Å | |
| N50 | H34 | sing | 1.00Å | 1.00Å | |
| C62 | H35 | sing | 1.08Å | 1.08Å | |
| C63 | H36 | sing | 1.08Å | 1.08Å | |
| C65 | H37 | sing | 1.08Å | 1.08Å | |
| C77 | H38 | sing | 1.08Å | 1.08Å | |
| N86 | H39 | sing | 1.00Å | 1.00Å | |
| C90 | H40 | sing | 1.08Å | 1.08Å | |
| C91 | H41 | sing | 1.08Å | 1.08Å | |
| C92 | H42 | sing | 1.08Å | 1.08Å | |
| C94 | H43 | sing | 1.08Å | 1.08Å | |
| O32 | H44 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | S40 | O11 | 108.5° | 108.5° |
| O10 | S40 | O12 | 107.6° | 107.6° |
| O10 | S40 | C36 | 112.2° | 112.2° |
| C8 | C7 | C9 | 122.6° | 122.6° |
| C7 | C8 | C6 | 119.9° | 119.9° |
| C8 | C7 | H18 | 118.7° | 118.7° |
| C7 | C8 | H19 | 120.0° | 120.0° |
| C7 | C9 | C4 | 121.5° | 121.5° |
| C7 | C9 | H2 | 119.3° | 119.3° |
| C9 | C7 | H18 | 118.7° | 118.7° |
| O11 | S40 | O12 | 110.0° | 110.0° |
| O11 | S40 | C36 | 107.7° | 107.7° |
| O2 | S20 | O3 | 109.2° | 109.2° |
| O2 | S20 | O5 | 111.5° | 111.5° |
| O2 | S20 | C16 | 108.8° | 108.8° |
| C8 | C6 | C16 | 122.2° | 122.2° |
| C8 | C6 | C5 | 119.9° | 119.9° |
| C6 | C8 | H19 | 120.0° | 120.0° |
| O12 | S40 | C36 | 110.8° | 110.8° |
| S40 | C36 | C37 | 121.1° | 121.1° |
| S40 | C36 | C32 | 121.7° | 121.7° |
| C9 | C4 | N3 | 119.4° | 119.4° |
| C9 | C4 | C5 | 118.1° | 118.1° |
| C4 | C9 | H2 | 119.2° | 119.2° |
| O34 | C2 | N3 | 122.1° | 122.1° |
| O34 | C2 | C1 | 120.8° | 120.8° |
| O3 | S20 | O5 | 108.2° | 108.2° |
| O3 | S20 | C16 | 110.2° | 110.2° |
| O5 | S20 | C16 | 109.0° | 109.0° |
| S20 | C16 | C6 | 120.3° | 120.3° |
| S20 | C16 | C17 | 121.5° | 121.5° |
| C16 | C6 | C5 | 117.9° | 117.9° |
| C6 | C16 | C17 | 118.2° | 118.2° |
| C6 | C5 | C4 | 117.9° | 117.9° |
| C6 | C5 | N19 | 118.9° | 118.9° |
| C37 | C36 | C32 | 117.3° | 117.3° |
| C36 | C37 | C38 | 121.7° | 121.7° |
| C36 | C37 | H16 | 119.1° | 119.1° |
| C36 | C32 | C33 | 123.7° | 123.7° |
| C36 | C32 | C31 | 117.5° | 117.5° |
| N3 | C4 | C5 | 122.5° | 122.5° |
| C4 | N3 | C2 | 118.8° | 118.8° |
| C4 | N3 | H1 | 120.6° | 120.6° |
| C4 | C5 | N19 | 123.2° | 123.2° |
| N3 | C2 | C1 | 117.2° | 117.2° |
| C2 | N3 | H1 | 120.6° | 120.6° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.4° |
| C37 | C38 | C45 | 121.5° | 121.5° |
| C37 | C38 | N39 | 120.7° | 120.7° |
| C38 | C37 | H16 | 119.1° | 119.1° |
| O29 | S97 | O31 | 109.5° | 109.5° |
| O29 | S97 | O30 | 110.0° | 110.0° |
| O29 | S97 | C93 | 109.6° | 109.6° |
| C16 | C17 | C18 | 120.3° | 120.3° |
| C16 | C17 | H6 | 119.9° | 119.9° |
| C32 | C33 | C34 | 120.7° | 120.7° |
| C33 | C32 | C31 | 118.8° | 118.8° |
| C32 | C33 | H13 | 119.6° | 119.6° |
| C33 | C34 | C35 | 122.4° | 122.4° |
| C34 | C33 | H13 | 119.6° | 119.6° |
| C33 | C34 | H14 | 118.8° | 118.8° |
| C5 | N19 | C18 | 122.4° | 122.4° |
| C32 | C31 | N39 | 119.6° | 119.6° |
| C32 | C31 | C30 | 118.7° | 118.7° |
| C71 | C72 | C67 | 122.9° | 122.9° |
| C72 | C71 | C70 | 120.5° | 120.5° |
| C72 | C71 | H31 | 119.7° | 119.7° |
| C71 | C72 | H32 | 118.5° | 118.5° |
| C72 | C67 | C68 | 120.4° | 120.4° |
| C72 | C67 | H30 | 119.8° | 119.8° |
| C67 | C72 | H32 | 118.5° | 118.5° |
| O31 | S97 | O30 | 108.7° | 108.7° |
| O31 | S97 | C93 | 109.5° | 109.5° |
| O13 | C45 | C38 | 120.8° | 120.8° |
| O13 | C45 | N46 | 121.9° | 121.9° |
| C34 | C35 | C30 | 120.6° | 120.6° |
| C35 | C34 | H14 | 118.8° | 118.8° |
| C34 | C35 | H15 | 119.7° | 119.7° |
| C45 | C38 | N39 | 117.4° | 117.4° |
| C38 | C45 | N46 | 117.2° | 117.2° |
| C38 | N39 | C31 | 122.9° | 122.9° |
| O30 | S97 | C93 | 109.5° | 109.5° |
| S97 | C93 | C94 | 121.1° | 121.1° |
| S97 | C93 | C89 | 121.3° | 121.3° |
| C71 | C70 | C69 | 118.2° | 118.2° |
| C71 | C70 | C73 | 124.6° | 124.6° |
| C70 | C71 | H31 | 119.7° | 119.8° |
| C67 | C68 | C69 | 118.4° | 118.4° |
| C67 | C68 | N66 | 123.9° | 123.9° |
| C68 | C67 | H30 | 119.8° | 119.8° |
| O22 | S77 | O21 | 108.6° | 108.6° |
| O22 | S77 | C73 | 110.6° | 110.6° |
| O22 | S77 | O23 | 110.4° | 110.4° |
| C17 | C18 | N19 | 122.4° | 122.4° |
| C17 | C18 | C3 | 119.7° | 119.7° |
| C18 | C17 | H6 | 119.9° | 119.9° |
| N19 | C18 | C3 | 117.9° | 117.9° |
| C45 | N46 | C22 | 129.0° | 129.0° |
| C45 | N46 | H17 | 115.5° | 115.5° |
| O1 | C64 | N66 | 124.4° | 124.4° |
| O1 | C64 | C58 | 120.4° | 120.4° |
| N39 | C31 | C30 | 121.6° | 121.6° |
| C31 | C30 | C35 | 118.7° | 118.7° |
| C31 | C30 | N28 | 118.0° | 118.0° |
| C18 | C3 | O4 | 120.2° | 120.2° |
| C18 | C3 | N5 | 116.0° | 116.0° |
| O21 | S77 | C73 | 110.3° | 110.3° |
| O21 | S77 | O23 | 107.8° | 107.8° |
| C35 | C30 | N28 | 123.3° | 123.3° |
| C30 | C35 | H15 | 119.7° | 119.7° |
| C69 | C70 | C73 | 117.2° | 117.2° |
| C70 | C69 | C68 | 119.5° | 119.5° |
| C70 | C69 | N76 | 119.9° | 119.9° |
| C70 | C73 | S77 | 122.4° | 122.4° |
| C70 | C73 | C74 | 117.5° | 117.5° |
| C94 | C93 | C89 | 117.6° | 117.6° |
| C93 | C94 | C95 | 121.4° | 121.4° |
| C93 | C94 | H43 | 119.3° | 119.3° |
| C93 | C89 | C90 | 123.5° | 123.5° |
| C93 | C89 | C88 | 117.3° | 117.3° |
| C69 | C68 | N66 | 117.5° | 117.5° |
| C68 | C69 | N76 | 120.6° | 120.6° |
| C68 | N66 | C64 | 128.3° | 128.3° |
| C68 | N66 | H29 | 115.9° | 115.9° |
| C73 | S77 | O23 | 109.2° | 109.2° |
| S77 | C73 | C74 | 120.1° | 120.1° |
| C30 | N28 | C27 | 129.0° | 129.0° |
| C30 | N28 | H12 | 115.5° | 115.5° |
| C89 | C90 | C91 | 120.2° | 120.2° |
| C90 | C89 | C88 | 119.2° | 119.2° |
| C89 | C90 | H40 | 119.9° | 119.9° |
| C90 | C91 | C92 | 122.7° | 122.7° |
| C91 | C90 | H40 | 119.9° | 119.9° |
| C90 | C91 | H41 | 118.6° | 118.6° |
| N66 | C64 | C58 | 115.2° | 115.2° |
| C64 | N66 | H29 | 115.9° | 115.9° |
| C64 | C58 | C57 | 120.9° | 120.9° |
| C64 | C58 | N59 | 117.2° | 117.2° |
| C22 | C28 | C26 | 120.2° | 120.2° |
| C28 | C22 | N46 | 125.6° | 125.6° |
| C28 | C22 | C23 | 117.5° | 117.5° |
| C22 | C28 | H22 | 119.9° | 119.9° |
| C28 | C26 | C25 | 123.7° | 123.7° |
| C28 | C26 | H21 | 118.2° | 118.2° |
| C26 | C28 | H22 | 119.9° | 119.9° |
| N46 | C22 | C23 | 116.9° | 116.9° |
| C22 | N46 | H17 | 115.5° | 115.5° |
| C94 | C95 | N96 | 121.6° | 121.6° |
| C94 | C95 | C96 | 119.5° | 119.5° |
| C95 | C94 | H43 | 119.3° | 119.3° |
| C89 | C88 | N96 | 119.9° | 119.9° |
| C89 | C88 | C87 | 118.5° | 118.5° |
| C69 | N76 | C75 | 122.5° | 122.5° |
| C73 | C74 | C75 | 121.1° | 121.1° |
| C73 | C74 | H33 | 119.5° | 119.5° |
| C91 | C92 | C87 | 120.6° | 120.6° |
| C92 | C91 | H41 | 118.6° | 118.6° |
| C91 | C92 | H42 | 119.7° | 119.7° |
| O20 | S60 | O19 | 110.0° | 110.0° |
| O20 | S60 | C56 | 107.7° | 107.7° |
| O20 | S60 | O18 | 109.9° | 109.9° |
| C22 | C23 | N41 | 119.5° | 119.5° |
| C22 | C23 | C24 | 120.7° | 120.7° |
| O4 | C3 | N5 | 123.8° | 123.8° |
| C3 | N5 | C10 | 126.5° | 126.5° |
| C3 | N5 | H7 | 116.7° | 116.7° |
| C26 | C25 | C24 | 120.0° | 120.0° |
| C26 | C25 | H20 | 120.0° | 120.0° |
| C25 | C26 | H21 | 118.1° | 118.1° |
| N28 | C27 | O9 | 125.5° | 125.5° |
| N28 | C27 | C21 | 115.8° | 115.8° |
| C27 | N28 | H12 | 115.5° | 115.5° |
| C58 | C57 | C56 | 121.7° | 121.7° |
| C57 | C58 | N59 | 121.8° | 121.8° |
| C58 | C57 | H28 | 119.2° | 119.2° |
| C57 | C56 | S60 | 120.4° | 120.4° |
| C57 | C56 | C52 | 117.2° | 117.2° |
| C56 | C57 | H28 | 119.1° | 119.1° |
| C58 | N59 | C51 | 121.6° | 121.6° |
| N5 | C10 | C11 | 116.7° | 116.7° |
| N5 | C10 | C15 | 125.1° | 125.1° |
| C10 | N5 | H7 | 116.7° | 116.7° |
| N96 | C95 | C96 | 118.8° | 118.8° |
| C95 | N96 | C88 | 122.1° | 122.1° |
| C95 | C96 | O33 | 120.9° | 120.9° |
| C95 | C96 | O32 | 120.6° | 120.6° |
| O33 | C96 | O32 | 118.4° | 118.4° |
| O19 | S60 | C56 | 109.5° | 109.5° |
| O19 | S60 | O18 | 109.9° | 109.9° |
| N96 | C88 | C87 | 121.6° | 121.6° |
| C88 | C87 | C92 | 118.8° | 118.8° |
| C88 | C87 | N86 | 117.7° | 117.7° |
| N76 | C75 | C74 | 121.8° | 121.8° |
| N76 | C75 | C41 | 116.7° | 116.7° |
| C92 | C87 | N86 | 123.5° | 123.5° |
| C87 | C92 | H42 | 119.7° | 119.7° |
| C74 | C75 | C41 | 121.4° | 121.4° |
| C75 | C74 | H33 | 119.4° | 119.5° |
| C56 | S60 | O18 | 109.8° | 109.8° |
| S60 | C56 | C52 | 122.3° | 122.3° |
| O9 | C27 | C21 | 118.5° | 118.5° |
| C27 | C21 | N22 | 116.4° | 116.4° |
| C27 | C21 | C20 | 121.3° | 121.3° |
| C56 | C52 | C51 | 117.2° | 117.2° |
| C56 | C52 | C53 | 123.9° | 123.9° |
| N59 | C51 | C52 | 120.3° | 120.3° |
| N59 | C51 | C50 | 121.0° | 121.0° |
| N41 | C23 | C24 | 119.8° | 119.8° |
| C23 | N41 | C40 | 122.1° | 122.1° |
| C23 | C24 | C25 | 117.9° | 117.9° |
| C23 | C24 | C29 | 117.3° | 117.3° |
| C25 | C24 | C29 | 124.8° | 124.8° |
| C24 | C25 | H20 | 120.0° | 120.0° |
| C96 | O32 | H44 | 109.5° | 109.5° |
| C87 | N86 | C84 | 128.7° | 128.7° |
| C87 | N86 | H39 | 115.7° | 115.7° |
| C21 | N22 | C11 | 122.0° | 122.0° |
| N22 | C21 | C20 | 122.2° | 122.2° |
| N22 | C11 | C10 | 120.1° | 120.1° |
| N22 | C11 | C12 | 120.3° | 120.3° |
| C75 | C41 | O24 | 120.5° | 120.5° |
| C75 | C41 | N50 | 116.2° | 116.2° |
| C11 | C10 | C15 | 118.0° | 118.0° |
| C10 | C11 | C12 | 119.6° | 119.6° |
| C10 | C15 | C14 | 120.3° | 120.3° |
| C10 | C15 | H10 | 119.9° | 119.8° |
| C21 | C20 | C19 | 120.4° | 120.4° |
| C21 | C20 | H11 | 119.8° | 119.8° |
| N41 | C40 | C47 | 114.8° | 114.8° |
| N41 | C40 | C39 | 122.8° | 122.8° |
| C24 | C29 | C39 | 117.5° | 117.5° |
| C24 | C29 | S42 | 123.0° | 123.0° |
| C52 | C51 | C50 | 118.7° | 118.7° |
| C51 | C52 | C53 | 118.9° | 118.9° |
| C51 | C50 | N49 | 117.5° | 117.5° |
| C51 | C50 | C55 | 118.6° | 118.6° |
| C52 | C53 | C54 | 120.4° | 120.4° |
| C52 | C53 | H25 | 119.8° | 119.8° |
| C11 | C12 | C19 | 116.6° | 116.6° |
| C11 | C12 | C13 | 119.2° | 119.2° |
| N86 | C84 | O28 | 125.7° | 125.7° |
| N86 | C84 | C78 | 113.1° | 113.1° |
| C84 | N86 | H39 | 115.6° | 115.6° |
| C15 | C14 | C13 | 123.4° | 123.4° |
| C15 | C14 | H9 | 118.3° | 118.3° |
| C14 | C15 | H10 | 119.8° | 119.8° |
| O24 | C41 | N50 | 123.3° | 123.3° |
| C41 | N50 | C59 | 126.7° | 126.7° |
| C41 | N50 | H34 | 116.7° | 116.7° |
| C20 | C19 | C12 | 118.4° | 118.4° |
| C20 | C19 | S23 | 121.1° | 121.1° |
| C19 | C20 | H11 | 119.8° | 119.8° |
| C53 | C54 | C55 | 122.9° | 122.9° |
| C54 | C53 | H25 | 119.8° | 119.8° |
| C53 | C54 | H26 | 118.6° | 118.6° |
| C50 | N49 | C47 | 127.2° | 127.2° |
| N49 | C50 | C55 | 123.8° | 123.8° |
| C50 | N49 | H24 | 116.4° | 116.4° |
| N49 | C47 | C40 | 113.5° | 113.5° |
| N49 | C47 | O17 | 125.4° | 125.4° |
| C47 | N49 | H24 | 116.4° | 116.4° |
| C50 | C55 | C54 | 120.6° | 120.6° |
| C50 | C55 | H27 | 119.7° | 119.7° |
| C47 | C40 | C39 | 122.2° | 122.2° |
| C40 | C47 | O17 | 121.1° | 121.1° |
| C40 | C39 | C29 | 120.5° | 120.5° |
| C40 | C39 | H23 | 119.8° | 119.8° |
| O28 | C84 | C78 | 121.2° | 121.2° |
| C84 | C78 | N79 | 114.5° | 114.5° |
| C84 | C78 | C77 | 122.8° | 122.8° |
| C39 | C29 | S42 | 119.5° | 119.5° |
| C29 | C39 | H23 | 119.8° | 119.8° |
| C29 | S42 | O16 | 109.3° | 109.3° |
| C29 | S42 | O14 | 109.6° | 109.6° |
| C29 | S42 | O15 | 109.0° | 109.0° |
| O16 | S42 | O14 | 110.0° | 110.0° |
| O16 | S42 | O15 | 109.6° | 109.6° |
| C19 | C12 | C13 | 124.2° | 124.2° |
| C12 | C19 | S23 | 120.4° | 120.4° |
| C12 | C13 | C14 | 119.5° | 119.5° |
| C12 | C13 | H8 | 120.3° | 120.3° |
| N50 | C59 | C60 | 117.5° | 117.5° |
| N50 | C59 | C65 | 124.4° | 124.4° |
| C59 | N50 | H34 | 116.6° | 116.6° |
| C14 | C13 | H8 | 120.3° | 120.3° |
| C13 | C14 | H9 | 118.3° | 118.3° |
| C19 | S23 | O7 | 108.0° | 108.0° |
| C19 | S23 | O8 | 110.1° | 110.1° |
| C19 | S23 | O6 | 108.5° | 108.5° |
| C55 | C54 | H26 | 118.6° | 118.6° |
| C54 | C55 | H27 | 119.7° | 119.7° |
| C78 | N79 | C60 | 122.4° | 122.4° |
| N79 | C78 | C77 | 122.4° | 122.4° |
| N79 | C60 | C59 | 120.4° | 120.4° |
| N79 | C60 | C61 | 119.8° | 119.8° |
| O14 | S42 | O15 | 109.3° | 109.3° |
| C78 | C77 | C66 | 120.0° | 120.0° |
| C78 | C77 | H38 | 120.0° | 120.0° |
| C60 | C59 | C65 | 117.9° | 117.9° |
| C59 | C60 | C61 | 119.8° | 119.8° |
| C59 | C65 | C63 | 120.5° | 120.5° |
| C59 | C65 | H37 | 119.7° | 119.7° |
| O7 | S23 | O8 | 109.7° | 109.7° |
| O7 | S23 | O6 | 109.8° | 109.8° |
| C60 | C61 | C66 | 117.1° | 117.1° |
| C60 | C61 | C62 | 118.7° | 118.7° |
| O8 | S23 | O6 | 110.7° | 110.7° |
| C77 | C66 | C61 | 118.2° | 118.2° |
| C77 | C66 | S80 | 121.1° | 121.1° |
| C66 | C77 | H38 | 120.0° | 120.0° |
| C65 | C63 | C62 | 123.3° | 123.3° |
| C65 | C63 | H36 | 118.3° | 118.3° |
| C63 | C65 | H37 | 119.8° | 119.8° |
| C66 | C61 | C62 | 124.3° | 124.3° |
| C61 | C66 | S80 | 120.7° | 120.7° |
| C61 | C62 | C63 | 119.8° | 119.8° |
| C61 | C62 | H35 | 120.0° | 120.1° |
| C66 | S80 | O25 | 109.7° | 109.7° |
| C66 | S80 | O26 | 109.5° | 109.5° |
| C66 | S80 | O27 | 109.0° | 109.0° |
| C63 | C62 | H35 | 120.1° | 120.1° |
| C62 | C63 | H36 | 118.4° | 118.4° |
| O25 | S80 | O26 | 109.7° | 109.7° |
| O25 | S80 | O27 | 109.2° | 109.2° |
| O26 | S80 | O27 | 109.8° | 109.8° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | S40 | O11 | O12 | 117.4° | 117.4° |
| O10 | S40 | O11 | C36 | 121.7° | 121.7° |
| O10 | S40 | O12 | C36 | 123.0° | 123.0° |
| O10 | S40 | C36 | C37 | 107.6° | 107.6° |
| O10 | S40 | C36 | C32 | 73.4° | 73.4° |
| C8 | C7 | C9 | H18 | 180.0° | 180.0° |
| C7 | C8 | C6 | H19 | 180.0° | 180.0° |
| C8 | C7 | C9 | C4 | 3.3° | 3.3° |
| C7 | C8 | C6 | C16 | 179.9° | 179.9° |
| C7 | C8 | C6 | C5 | 1.0° | 1.0° |
| C8 | C7 | C9 | H2 | 176.7° | 176.7° |
| C9 | C7 | C8 | C6 | 2.3° | 2.3° |
| C7 | C9 | C4 | H2 | 180.0° | 180.0° |
| C7 | C9 | C4 | N3 | 179.6° | 179.6° |
| C7 | C9 | C4 | C5 | 2.8° | 2.8° |
| C9 | C7 | C8 | H19 | 177.7° | 177.7° |
| O11 | S40 | O12 | C36 | 119.0° | 119.0° |
| O11 | S40 | C36 | C37 | 11.7° | 11.7° |
| O11 | S40 | C36 | C32 | 167.3° | 167.3° |
| O2 | S20 | O3 | O5 | 121.5° | 121.5° |
| O2 | S20 | O3 | C16 | 119.4° | 119.4° |
| O2 | S20 | O5 | C16 | 120.1° | 120.1° |
| O2 | S20 | C16 | C6 | 41.1° | 41.1° |
| O2 | S20 | C16 | C17 | 136.9° | 136.9° |
| C8 | C6 | C16 | S20 | 3.1° | 3.1° |
| C8 | C6 | C16 | C5 | 178.9° | 178.9° |
| C8 | C6 | C5 | C4 | 0.7° | 0.7° |
| C8 | C6 | C16 | C17 | 178.9° | 178.9° |
| C8 | C6 | C5 | N19 | 179.0° | 179.0° |
| C6 | C8 | C7 | H18 | 177.7° | 177.7° |
| O12 | S40 | C36 | C37 | 132.1° | 132.1° |
| O12 | S40 | C36 | C32 | 46.9° | 46.9° |
| S40 | C36 | C37 | C32 | 179.0° | 179.0° |
| S40 | C36 | C37 | C38 | 177.1° | 177.1° |
| S40 | C36 | C32 | C33 | 0.4° | 0.4° |
| S40 | C36 | C32 | C31 | 178.3° | 178.3° |
| S40 | C36 | C37 | H16 | 2.9° | 2.9° |
| C9 | C4 | C5 | C6 | 1.6° | 1.6° |
| C9 | C4 | N3 | C5 | 177.4° | 177.4° |
| C9 | C4 | N3 | C2 | 4.5° | 4.5° |
| C9 | C4 | C5 | N19 | 178.2° | 178.2° |
| C9 | C4 | N3 | H1 | 175.5° | 175.5° |
| C4 | C9 | C7 | H18 | 176.7° | 176.7° |
| O34 | C2 | N3 | C4 | 17.0° | 17.0° |
| O34 | C2 | N3 | C1 | 179.2° | 179.2° |
| O34 | C2 | N3 | H1 | 163.0° | 163.0° |
| O34 | C2 | C1 | H3 | 0.0° | 0.0° |
| O34 | C2 | C1 | H4 | 120.0° | 120.0° |
| O34 | C2 | C1 | H5 | 120.0° | 120.0° |
| O3 | S20 | O5 | C16 | 119.8° | 119.8° |
| O3 | S20 | C16 | C6 | 78.6° | 78.6° |
| O3 | S20 | C16 | C17 | 103.4° | 103.4° |
| O5 | S20 | C16 | C6 | 162.8° | 162.8° |
| O5 | S20 | C16 | C17 | 15.2° | 15.2° |
| S20 | C16 | C6 | C17 | 178.1° | 178.1° |
| S20 | C16 | C6 | C5 | 178.0° | 178.0° |
| S20 | C16 | C17 | C18 | 178.1° | 178.1° |
| S20 | C16 | C17 | H6 | 1.9° | 1.9° |
| C16 | C6 | C5 | C4 | 179.6° | 179.6° |
| C16 | C6 | C5 | N19 | 0.1° | 0.1° |
| C6 | C16 | C17 | C18 | 0.1° | 0.1° |
| C6 | C16 | C17 | H6 | 179.9° | 179.9° |
| C16 | C6 | C8 | H19 | 0.1° | 0.1° |
| C6 | C5 | C4 | N3 | 179.0° | 179.0° |
| C6 | C5 | C4 | N19 | 179.8° | 179.8° |
| C5 | C6 | C16 | C17 | 0.0° | 0.0° |
| C6 | C5 | N19 | C18 | 0.4° | 0.4° |
| C5 | C6 | C8 | H19 | 179.0° | 179.0° |
| C36 | C37 | C38 | H16 | 180.0° | 180.0° |
| C37 | C36 | C32 | C33 | 178.6° | 178.6° |
| C37 | C36 | C32 | C31 | 2.7° | 2.7° |
| C36 | C37 | C38 | C45 | 178.5° | 178.5° |
| C36 | C37 | C38 | N39 | 5.4° | 5.4° |
| C32 | C36 | C37 | C38 | 3.9° | 3.9° |
| C36 | C32 | C33 | C31 | 178.7° | 178.7° |
| C36 | C32 | C33 | C34 | 178.5° | 178.5° |
| C36 | C32 | C31 | N39 | 3.0° | 3.0° |
| C36 | C32 | C31 | C30 | 179.5° | 179.5° |
| C36 | C32 | C33 | H13 | 1.5° | 1.5° |
| C32 | C36 | C37 | H16 | 176.2° | 176.2° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| C4 | N3 | C2 | C1 | 162.1° | 162.1° |
| N3 | C4 | C5 | N19 | 0.7° | 0.7° |
| N3 | C4 | C9 | H2 | 0.4° | 0.4° |
| C5 | C4 | N3 | C2 | 172.9° | 172.9° |
| C4 | C5 | N19 | C18 | 179.3° | 179.3° |
| C5 | C4 | N3 | H1 | 7.1° | 7.1° |
| C5 | C4 | C9 | H2 | 177.2° | 177.2° |
| N3 | C2 | C1 | H3 | 179.2° | 179.2° |
| N3 | C2 | C1 | H4 | 60.8° | 60.8° |
| N3 | C2 | C1 | H5 | 59.2° | 59.1° |
| C1 | C2 | N3 | H1 | 17.9° | 17.9° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C37 | C38 | C45 | O13 | 18.9° | 18.9° |
| C37 | C38 | C45 | N39 | 173.2° | 173.2° |
| C37 | C38 | C45 | N46 | 158.1° | 158.1° |
| C37 | C38 | N39 | C31 | 5.8° | 5.8° |
| O29 | S97 | O31 | O30 | 120.1° | 120.1° |
| O29 | S97 | O31 | C93 | 120.3° | 120.3° |
| O29 | S97 | O30 | C93 | 120.5° | 120.5° |
| O29 | S97 | C93 | C94 | 121.4° | 121.4° |
| O29 | S97 | C93 | C89 | 57.7° | 57.7° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.4° | 0.4° |
| C16 | C17 | C18 | C3 | 177.9° | 177.9° |
| C32 | C33 | C34 | H13 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 1.3° | 1.3° |
| C33 | C32 | C31 | N39 | 178.2° | 178.2° |
| C33 | C32 | C31 | C30 | 0.7° | 0.7° |
| C32 | C33 | C34 | H14 | 178.7° | 178.7° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C33 | C34 | C35 | H14 | 180.0° | 180.0° |
| C33 | C34 | C35 | C30 | 1.6° | 1.6° |
| C33 | C34 | C35 | H15 | 178.4° | 178.4° |
| C5 | N19 | C18 | C17 | 0.6° | 0.6° |
| C5 | N19 | C18 | C3 | 177.8° | 177.8° |
| C32 | C31 | N39 | C38 | 4.7° | 4.7° |
| C32 | C31 | N39 | C30 | 177.4° | 177.4° |
| C32 | C31 | C30 | C35 | 0.5° | 0.5° |
| C32 | C31 | C30 | N28 | 179.0° | 179.0° |
| C31 | C32 | C33 | H13 | 179.9° | 179.9° |
| C71 | C72 | C67 | H32 | 180.0° | 180.0° |
| C72 | C71 | C70 | H31 | 180.0° | 180.0° |
| C71 | C72 | C67 | C68 | 2.7° | 2.7° |
| C72 | C71 | C70 | C69 | 0.3° | 0.3° |
| C72 | C71 | C70 | C73 | 178.1° | 178.1° |
| C71 | C72 | C67 | H30 | 177.3° | 177.3° |
| C67 | C72 | C71 | C70 | 1.5° | 1.5° |
| C72 | C67 | C68 | H30 | 180.0° | 180.0° |
| C72 | C67 | C68 | C69 | 2.6° | 2.6° |
| C72 | C67 | C68 | N66 | 178.0° | 178.0° |
| C67 | C72 | C71 | H31 | 178.5° | 178.5° |
| O31 | S97 | O30 | C93 | 119.6° | 119.6° |
| O31 | S97 | C93 | C94 | 1.3° | 1.3° |
| O31 | S97 | C93 | C89 | 177.9° | 177.9° |
| O13 | C45 | C38 | N46 | 177.0° | 177.0° |
| O13 | C45 | C38 | N39 | 167.8° | 167.8° |
| O13 | C45 | N46 | C22 | 23.9° | 23.9° |
| O13 | C45 | N46 | H17 | 156.1° | 156.1° |
| C34 | C35 | C30 | C31 | 0.7° | 0.7° |
| C34 | C35 | C30 | H15 | 180.0° | 180.0° |
| C34 | C35 | C30 | N28 | 179.9° | 179.9° |
| C35 | C34 | C33 | H13 | 178.7° | 178.7° |
| C45 | C38 | N39 | C31 | 179.1° | 179.1° |
| C38 | C45 | N46 | C22 | 159.2° | 159.2° |
| C45 | C38 | C37 | H16 | 1.6° | 1.6° |
| C38 | C45 | N46 | H17 | 20.8° | 20.8° |
| N39 | C38 | C45 | N46 | 15.1° | 15.1° |
| C38 | N39 | C31 | C30 | 177.9° | 177.9° |
| N39 | C38 | C37 | H16 | 174.6° | 174.6° |
| O30 | S97 | C93 | C94 | 117.8° | 117.8° |
| O30 | S97 | C93 | C89 | 63.0° | 63.0° |
| S97 | C93 | C94 | C89 | 179.2° | 179.2° |
| S97 | C93 | C89 | C90 | 1.0° | 1.0° |
| S97 | C93 | C94 | C95 | 177.0° | 177.0° |
| S97 | C93 | C89 | C88 | 178.7° | 178.7° |
| S97 | C93 | C94 | H43 | 3.0° | 3.0° |
| C71 | C70 | C69 | C73 | 178.5° | 178.5° |
| C71 | C70 | C69 | C68 | 0.3° | 0.3° |
| C71 | C70 | C73 | S77 | 0.8° | 0.8° |
| C71 | C70 | C69 | N76 | 180.0° | 180.0° |
| C71 | C70 | C73 | C74 | 179.5° | 179.5° |
| C70 | C71 | C72 | H32 | 178.5° | 178.5° |
| C67 | C68 | C69 | C70 | 1.5° | 1.5° |
| C67 | C68 | C69 | N66 | 175.7° | 175.7° |
| C67 | C68 | N66 | C64 | 26.2° | 26.2° |
| C67 | C68 | C69 | N76 | 178.9° | 178.9° |
| C67 | C68 | N66 | H29 | 153.8° | 153.8° |
| C68 | C67 | C72 | H32 | 177.3° | 177.3° |
| O22 | S77 | O21 | C73 | 121.3° | 121.3° |
| O22 | S77 | O21 | O23 | 119.6° | 119.6° |
| O22 | S77 | C73 | C70 | 59.8° | 59.8° |
| O22 | S77 | C73 | O23 | 121.7° | 121.7° |
| O22 | S77 | C73 | C74 | 121.5° | 121.5° |
| C17 | C18 | N19 | C3 | 178.4° | 178.4° |
| C17 | C18 | C3 | O4 | 30.4° | 30.4° |
| C17 | C18 | C3 | N5 | 147.4° | 147.4° |
| N19 | C18 | C3 | O4 | 151.2° | 151.2° |
| N19 | C18 | C3 | N5 | 31.0° | 31.0° |
| N19 | C18 | C17 | H6 | 179.6° | 179.6° |
| C45 | N46 | C22 | C28 | 11.9° | 11.9° |
| C45 | N46 | C22 | H17 | 180.0° | 180.0° |
| C45 | N46 | C22 | C23 | 171.4° | 171.4° |
| O1 | C64 | N66 | C68 | 21.5° | 21.5° |
| O1 | C64 | N66 | C58 | 179.4° | 179.4° |
| O1 | C64 | C58 | C57 | 29.1° | 29.1° |
| O1 | C64 | C58 | N59 | 153.4° | 153.4° |
| O1 | C64 | N66 | H29 | 158.5° | 158.5° |
| N39 | C31 | C30 | C35 | 177.9° | 177.9° |
| N39 | C31 | C30 | N28 | 1.6° | 1.6° |
| C31 | C30 | C35 | N28 | 179.5° | 179.5° |
| C31 | C30 | N28 | C27 | 173.2° | 173.2° |
| C31 | C30 | N28 | H12 | 6.8° | 6.8° |
| C31 | C30 | C35 | H15 | 179.3° | 179.3° |
| C18 | C3 | O4 | N5 | 177.7° | 177.7° |
| C18 | C3 | N5 | C10 | 162.1° | 162.1° |
| C3 | C18 | C17 | H6 | 2.1° | 2.1° |
| C18 | C3 | N5 | H7 | 17.9° | 17.9° |
| O21 | S77 | C73 | C70 | 60.3° | 60.3° |
| O21 | S77 | C73 | O23 | 118.2° | 118.2° |
| O21 | S77 | C73 | C74 | 118.4° | 118.4° |
| C35 | C30 | N28 | C27 | 7.3° | 7.3° |
| C35 | C30 | N28 | H12 | 172.7° | 172.7° |
| C30 | C35 | C34 | H14 | 178.4° | 178.4° |
| C70 | C69 | C68 | N76 | 179.7° | 179.7° |
| C70 | C69 | C68 | N66 | 177.2° | 177.2° |
| C69 | C70 | C73 | S77 | 179.2° | 179.2° |
| C69 | C70 | C73 | C74 | 2.1° | 2.1° |
| C70 | C69 | N76 | C75 | 1.4° | 1.4° |
| C69 | C70 | C71 | H31 | 179.7° | 179.7° |
| C73 | C70 | C69 | C68 | 178.2° | 178.2° |
| C70 | C73 | S77 | C74 | 178.7° | 178.7° |
| C70 | C73 | S77 | O23 | 178.5° | 178.5° |
| C73 | C70 | C69 | N76 | 1.5° | 1.5° |
| C70 | C73 | C74 | C75 | 2.6° | 2.6° |
| C73 | C70 | C71 | H31 | 1.9° | 1.9° |
| C70 | C73 | C74 | H33 | 177.4° | 177.4° |
| C94 | C93 | C89 | C90 | 179.8° | 179.8° |
| C93 | C94 | C95 | H43 | 180.0° | 180.0° |
| C94 | C93 | C89 | C88 | 0.5° | 0.5° |
| C93 | C94 | C95 | N96 | 1.9° | 1.9° |
| C93 | C94 | C95 | C96 | 178.2° | 178.2° |
| C93 | C89 | C90 | C88 | 179.8° | 179.8° |
| C93 | C89 | C90 | C91 | 179.7° | 179.7° |
| C89 | C93 | C94 | C95 | 2.2° | 2.2° |
| C93 | C89 | C88 | N96 | 1.6° | 1.6° |
| C93 | C89 | C88 | C87 | 179.0° | 179.0° |
| C93 | C89 | C90 | H40 | 0.3° | 0.3° |
| C89 | C93 | C94 | H43 | 177.8° | 177.8° |
| C69 | C68 | N66 | C64 | 158.3° | 158.3° |
| C68 | C69 | N76 | C75 | 178.3° | 178.3° |
| C69 | C68 | N66 | H29 | 21.7° | 21.7° |
| C69 | C68 | C67 | H30 | 177.4° | 177.4° |
| C68 | N66 | C64 | H29 | 180.0° | 180.0° |
| C68 | N66 | C64 | C58 | 159.0° | 159.0° |
| N66 | C68 | C69 | N76 | 3.1° | 3.1° |
| N66 | C68 | C67 | H30 | 2.0° | 2.0° |
| S77 | C73 | C74 | C75 | 178.7° | 178.7° |
| S77 | C73 | C74 | H33 | 1.3° | 1.3° |
| O23 | S77 | C73 | C74 | 0.1° | 0.1° |
| C30 | N28 | C27 | H12 | 180.0° | 180.0° |
| C30 | N28 | C27 | O9 | 21.8° | 21.8° |
| C30 | N28 | C27 | C21 | 163.3° | 163.3° |
| N28 | C30 | C35 | H15 | 0.1° | 0.1° |
| C89 | C90 | C91 | H40 | 180.0° | 180.0° |
| C89 | C90 | C91 | C92 | 0.8° | 0.8° |
| C90 | C89 | C88 | N96 | 178.2° | 178.2° |
| C90 | C89 | C88 | C87 | 0.8° | 0.8° |
| C89 | C90 | C91 | H41 | 179.2° | 179.2° |
| C91 | C90 | C89 | C88 | 0.0° | 0.0° |
| C90 | C91 | C92 | H41 | 180.0° | 180.0° |
| C90 | C91 | C92 | C87 | 0.8° | 0.8° |
| C90 | C91 | C92 | H42 | 179.1° | 179.1° |
| N66 | C64 | C58 | C57 | 150.4° | 150.4° |
| N66 | C64 | C58 | N59 | 27.2° | 27.2° |
| C64 | C58 | C57 | N59 | 177.5° | 177.5° |
| C64 | C58 | C57 | C56 | 178.5° | 178.5° |
| C64 | C58 | N59 | C51 | 179.2° | 179.2° |
| C64 | C58 | C57 | H28 | 1.5° | 1.5° |
| C58 | C64 | N66 | H29 | 20.9° | 20.9° |
| C22 | C28 | C26 | H22 | 180.0° | 180.0° |
| C28 | C22 | N46 | C23 | 176.7° | 176.7° |
| C22 | C28 | C26 | C25 | 1.3° | 1.3° |
| C28 | C22 | C23 | N41 | 178.4° | 178.4° |
| C28 | C22 | C23 | C24 | 2.0° | 2.0° |
| C28 | C22 | N46 | H17 | 168.1° | 168.1° |
| C22 | C28 | C26 | H21 | 178.7° | 178.7° |
| C26 | C28 | C22 | N46 | 178.6° | 178.6° |
| C26 | C28 | C22 | C23 | 1.9° | 1.9° |
| C28 | C26 | C25 | H21 | 180.0° | 180.0° |
| C28 | C26 | C25 | C24 | 0.5° | 0.5° |
| C28 | C26 | C25 | H20 | 179.4° | 179.4° |
| N46 | C22 | C23 | N41 | 1.5° | 1.5° |
| N46 | C22 | C23 | C24 | 178.9° | 178.9° |
| N46 | C22 | C28 | H22 | 1.5° | 1.5° |
| C94 | C95 | N96 | C96 | 176.4° | 176.4° |
| C94 | C95 | C96 | O33 | 6.8° | 6.8° |
| C94 | C95 | N96 | C88 | 0.3° | 0.3° |
| C94 | C95 | C96 | O32 | 170.9° | 170.9° |
| C89 | C88 | N96 | C95 | 2.0° | 2.0° |
| C89 | C88 | N96 | C87 | 177.3° | 177.3° |
| C89 | C88 | C87 | C92 | 0.8° | 0.8° |
| C89 | C88 | C87 | N86 | 179.8° | 179.8° |
| C88 | C89 | C90 | H40 | 180.0° | 180.0° |
| C69 | N76 | C75 | C74 | 1.9° | 1.9° |
| C69 | N76 | C75 | C41 | 177.9° | 177.9° |
| C73 | C74 | C75 | N76 | 2.5° | 2.5° |
| C73 | C74 | C75 | H33 | 180.0° | 180.0° |
| C73 | C74 | C75 | C41 | 178.3° | 178.3° |
| C91 | C92 | C87 | C88 | 0.0° | 0.0° |
| C91 | C92 | C87 | H42 | 180.0° | 180.0° |
| C91 | C92 | C87 | N86 | 179.4° | 179.4° |
| C92 | C91 | C90 | H40 | 179.2° | 179.2° |
| O20 | S60 | C56 | C57 | 0.3° | 0.3° |
| O20 | S60 | O19 | C56 | 118.2° | 118.2° |
| O20 | S60 | O19 | O18 | 121.1° | 121.1° |
| O20 | S60 | C56 | O18 | 119.6° | 119.6° |
| O20 | S60 | C56 | C52 | 178.2° | 178.2° |
| C22 | C23 | N41 | C24 | 179.6° | 179.6° |
| C22 | C23 | C24 | C25 | 1.3° | 1.3° |
| C22 | C23 | N41 | C40 | 177.5° | 177.5° |
| C22 | C23 | C24 | C29 | 179.7° | 179.7° |
| C23 | C22 | N46 | H17 | 8.6° | 8.6° |
| C23 | C22 | C28 | H22 | 178.1° | 178.1° |
| O4 | C3 | N5 | C10 | 20.2° | 20.2° |
| O4 | C3 | N5 | H7 | 159.8° | 159.8° |
| C3 | N5 | C10 | H7 | 180.0° | 180.0° |
| C3 | N5 | C10 | C11 | 160.6° | 160.6° |
| C3 | N5 | C10 | C15 | 23.6° | 23.6° |
| C26 | C25 | C24 | C23 | 0.6° | 0.6° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 179.5° | 179.5° |
| C25 | C26 | C28 | H22 | 178.7° | 178.7° |
| N28 | C27 | O9 | C21 | 174.7° | 174.7° |
| N28 | C27 | C21 | N22 | 13.7° | 13.7° |
| N28 | C27 | C21 | C20 | 162.6° | 162.6° |
| C58 | C57 | C56 | H28 | 180.0° | 180.0° |
| C58 | C57 | C56 | S60 | 179.2° | 179.2° |
| C58 | C57 | C56 | C52 | 1.2° | 1.2° |
| C57 | C58 | N59 | C51 | 3.3° | 3.3° |
| C56 | C57 | C58 | N59 | 1.0° | 1.0° |
| C57 | C56 | S60 | O19 | 119.2° | 119.2° |
| C57 | C56 | S60 | C52 | 177.9° | 177.9° |
| C57 | C56 | S60 | O18 | 119.9° | 119.9° |
| C57 | C56 | C52 | C51 | 1.2° | 1.2° |
| C57 | C56 | C52 | C53 | 179.0° | 179.0° |
| C58 | N59 | C51 | C52 | 3.1° | 3.1° |
| C58 | N59 | C51 | C50 | 177.7° | 177.7° |
| N59 | C58 | C57 | H28 | 179.0° | 179.0° |
| N5 | C10 | C11 | N22 | 2.8° | 2.8° |
| N5 | C10 | C11 | C15 | 176.1° | 176.1° |
| N5 | C10 | C11 | C12 | 178.8° | 178.8° |
| N5 | C10 | C15 | C14 | 177.2° | 177.2° |
| N5 | C10 | C15 | H10 | 2.8° | 2.8° |
| N96 | C95 | C96 | O33 | 176.7° | 176.7° |
| C95 | N96 | C88 | C87 | 179.4° | 179.4° |
| N96 | C95 | C96 | O32 | 5.6° | 5.6° |
| N96 | C95 | C94 | H43 | 178.1° | 178.1° |
| C95 | C96 | O33 | O32 | 177.8° | 177.8° |
| C96 | C95 | N96 | C88 | 176.0° | 176.0° |
| C96 | C95 | C94 | H43 | 1.7° | 1.8° |
| C95 | C96 | O32 | H44 | 177.8° | 177.8° |
| O33 | C96 | O32 | H44 | 0.0° | 0.0° |
| O19 | S60 | C56 | O18 | 120.8° | 120.8° |
| O19 | S60 | C56 | C52 | 58.6° | 58.6° |
| N96 | C88 | C87 | C92 | 178.1° | 178.1° |
| N96 | C88 | C87 | N86 | 2.4° | 2.4° |
| C88 | C87 | C92 | N86 | 179.4° | 179.4° |
| C88 | C87 | N86 | C84 | 178.4° | 178.4° |
| C88 | C87 | N86 | H39 | 1.6° | 1.6° |
| C88 | C87 | C92 | H42 | 180.0° | 180.0° |
| N76 | C75 | C74 | C41 | 175.8° | 175.8° |
| N76 | C75 | C41 | O24 | 156.7° | 156.7° |
| N76 | C75 | C41 | N50 | 25.2° | 25.2° |
| N76 | C75 | C74 | H33 | 177.5° | 177.5° |
| C92 | C87 | N86 | C84 | 1.0° | 1.0° |
| C92 | C87 | N86 | H39 | 179.0° | 179.0° |
| C87 | C92 | C91 | H41 | 179.2° | 179.2° |
| C74 | C75 | C41 | O24 | 27.3° | 27.3° |
| C74 | C75 | C41 | N50 | 150.8° | 150.8° |
| S60 | C56 | C52 | C51 | 179.2° | 179.2° |
| S60 | C56 | C52 | C53 | 1.0° | 1.0° |
| S60 | C56 | C57 | H28 | 0.9° | 0.9° |
| O18 | S60 | C56 | C52 | 62.2° | 62.2° |
| O9 | C27 | C21 | N22 | 171.1° | 171.1° |
| O9 | C27 | C21 | C20 | 12.7° | 12.7° |
| O9 | C27 | N28 | H12 | 158.2° | 158.2° |
| C27 | C21 | N22 | C20 | 176.2° | 176.2° |
| C27 | C21 | N22 | C11 | 176.1° | 176.1° |
| C27 | C21 | C20 | C19 | 176.5° | 176.5° |
| C27 | C21 | C20 | H11 | 3.5° | 3.5° |
| C21 | C27 | N28 | H12 | 16.7° | 16.7° |
| C56 | C52 | C51 | N59 | 0.9° | 0.9° |
| C56 | C52 | C51 | C53 | 179.8° | 179.8° |
| C56 | C52 | C51 | C50 | 179.9° | 179.9° |
| C56 | C52 | C53 | C54 | 179.2° | 179.2° |
| C56 | C52 | C53 | H25 | 0.9° | 0.9° |
| C52 | C56 | C57 | H28 | 178.9° | 178.9° |
| N59 | C51 | C52 | C50 | 179.2° | 179.2° |
| N59 | C51 | C52 | C53 | 179.0° | 179.0° |
| N59 | C51 | C50 | N49 | 1.8° | 1.8° |
| N59 | C51 | C50 | C55 | 177.5° | 177.5° |
| N41 | C23 | C24 | C25 | 179.1° | 179.1° |
| N41 | C23 | C24 | C29 | 0.1° | 0.1° |
| C23 | N41 | C40 | C47 | 178.0° | 178.0° |
| C23 | N41 | C40 | C39 | 4.2° | 4.2° |
| C23 | C24 | C25 | C29 | 178.9° | 178.9° |
| C24 | C23 | N41 | C40 | 2.1° | 2.1° |
| C23 | C24 | C29 | C39 | 0.3° | 0.3° |
| C23 | C24 | C29 | S42 | 179.2° | 179.2° |
| C23 | C24 | C25 | H20 | 179.4° | 179.4° |
| C25 | C24 | C29 | C39 | 179.2° | 179.2° |
| C25 | C24 | C29 | S42 | 1.8° | 1.8° |
| C24 | C25 | C26 | H21 | 179.4° | 179.4° |
| C87 | N86 | C84 | H39 | 180.0° | 180.0° |
| C87 | N86 | C84 | O28 | 13.0° | 13.0° |
| C87 | N86 | C84 | C78 | 169.5° | 169.5° |
| N86 | C87 | C92 | H42 | 0.6° | 0.6° |
| C21 | N22 | C11 | C10 | 179.2° | 179.2° |
| C21 | N22 | C11 | C12 | 0.8° | 0.8° |
| N22 | C21 | C20 | C19 | 0.5° | 0.5° |
| N22 | C21 | C20 | H11 | 179.5° | 179.5° |
| N22 | C11 | C10 | C12 | 178.4° | 178.4° |
| N22 | C11 | C10 | C15 | 178.9° | 178.9° |
| C11 | N22 | C21 | C20 | 0.1° | 0.1° |
| N22 | C11 | C12 | C19 | 1.0° | 1.0° |
| N22 | C11 | C12 | C13 | 179.1° | 179.1° |
| C75 | C41 | O24 | N50 | 178.0° | 178.0° |
| C75 | C41 | N50 | C59 | 158.6° | 158.6° |
| C41 | C75 | C74 | H33 | 1.7° | 1.7° |
| C75 | C41 | N50 | H34 | 21.4° | 21.4° |
| C11 | C10 | C15 | C14 | 1.5° | 1.5° |
| C10 | C11 | C12 | C19 | 179.3° | 179.3° |
| C10 | C11 | C12 | C13 | 2.6° | 2.6° |
| C11 | C10 | N5 | H7 | 19.4° | 19.4° |
| C11 | C10 | C15 | H10 | 178.5° | 178.6° |
| C15 | C10 | C11 | C12 | 2.7° | 2.7° |
| C10 | C15 | C14 | H10 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.0° |
| C15 | C10 | N5 | H7 | 156.4° | 156.4° |
| C10 | C15 | C14 | H9 | 180.0° | 180.0° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C12 | 0.3° | 0.3° |
| C21 | C20 | C19 | S23 | 177.8° | 177.8° |
| N41 | C40 | C47 | N49 | 22.6° | 22.6° |
| N41 | C40 | C47 | C39 | 173.9° | 173.9° |
| N41 | C40 | C39 | C29 | 3.8° | 3.8° |
| N41 | C40 | C47 | O17 | 158.9° | 158.9° |
| N41 | C40 | C39 | H23 | 176.2° | 176.2° |
| C24 | C29 | C39 | C40 | 1.6° | 1.6° |
| C24 | C29 | C39 | S42 | 179.0° | 179.0° |
| C24 | C29 | S42 | O16 | 44.6° | 44.6° |
| C24 | C29 | S42 | O14 | 75.9° | 75.9° |
| C24 | C29 | S42 | O15 | 164.5° | 164.5° |
| C29 | C24 | C25 | H20 | 0.5° | 0.5° |
| C24 | C29 | C39 | H23 | 178.5° | 178.5° |
| C51 | C52 | C53 | C54 | 0.6° | 0.6° |
| C52 | C51 | C50 | N49 | 177.5° | 177.5° |
| C52 | C51 | C50 | C55 | 1.7° | 1.7° |
| C51 | C52 | C53 | H25 | 179.3° | 179.3° |
| C50 | C51 | C52 | C53 | 0.3° | 0.3° |
| C51 | C50 | N49 | C55 | 175.5° | 175.5° |
| C51 | C50 | N49 | C47 | 165.7° | 165.7° |
| C51 | C50 | C55 | C54 | 2.3° | 2.3° |
| C51 | C50 | N49 | H24 | 14.3° | 14.3° |
| C51 | C50 | C55 | H27 | 177.7° | 177.7° |
| C52 | C53 | C54 | H25 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.1° | 0.1° |
| C52 | C53 | C54 | H26 | 179.9° | 179.9° |
| C11 | C12 | C19 | C20 | 0.4° | 0.4° |
| C11 | C12 | C19 | C13 | 178.0° | 178.0° |
| C11 | C12 | C13 | C14 | 1.1° | 1.1° |
| C11 | C12 | C19 | S23 | 178.5° | 178.5° |
| C11 | C12 | C13 | H8 | 178.9° | 178.9° |
| N86 | C84 | O28 | C78 | 177.4° | 177.4° |
| N86 | C84 | C78 | N79 | 12.0° | 12.0° |
| N86 | C84 | C78 | C77 | 162.2° | 162.2° |
| C15 | C14 | C13 | C12 | 0.2° | 0.2° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | H8 | 179.8° | 179.8° |
| O24 | C41 | N50 | C59 | 23.4° | 23.4° |
| O24 | C41 | N50 | H34 | 156.6° | 156.6° |
| C41 | N50 | C59 | H34 | 180.0° | 180.0° |
| C41 | N50 | C59 | C60 | 160.0° | 160.0° |
| C41 | N50 | C59 | C65 | 26.0° | 26.0° |
| C20 | C19 | C12 | S23 | 178.1° | 178.1° |
| C20 | C19 | C12 | C13 | 178.4° | 178.4° |
| C20 | C19 | S23 | O7 | 87.2° | 87.2° |
| C20 | C19 | S23 | O8 | 32.6° | 32.6° |
| C20 | C19 | S23 | O6 | 153.9° | 153.9° |
| C53 | C54 | C55 | C50 | 1.4° | 1.4° |
| C53 | C54 | C55 | H26 | 180.0° | 180.0° |
| C53 | C54 | C55 | H27 | 178.6° | 178.6° |
| C50 | N49 | C47 | H24 | 180.0° | 180.0° |
| C50 | N49 | C47 | C40 | 159.9° | 159.9° |
| C50 | N49 | C47 | O17 | 21.6° | 21.6° |
| N49 | C50 | C55 | C54 | 177.7° | 177.7° |
| N49 | C50 | C55 | H27 | 2.3° | 2.3° |
| C47 | N49 | C50 | C55 | 18.8° | 18.8° |
| N49 | C47 | C40 | O17 | 178.5° | 178.5° |
| N49 | C47 | C40 | C39 | 151.4° | 151.4° |
| C50 | C55 | C54 | H27 | 180.0° | 180.0° |
| C55 | C50 | N49 | H24 | 161.2° | 161.2° |
| C50 | C55 | C54 | H26 | 178.6° | 178.6° |
| C47 | C40 | C39 | C29 | 177.3° | 177.3° |
| C47 | C40 | C39 | H23 | 2.7° | 2.7° |
| C40 | C47 | N49 | H24 | 20.1° | 20.1° |
| C40 | C39 | C29 | H23 | 180.0° | 180.0° |
| C40 | C39 | C29 | S42 | 177.4° | 177.4° |
| C39 | C40 | C47 | O17 | 27.1° | 27.1° |
| O28 | C84 | C78 | N79 | 170.3° | 170.3° |
| O28 | C84 | C78 | C77 | 15.5° | 15.5° |
| O28 | C84 | N86 | H39 | 167.1° | 167.1° |
| C84 | C78 | N79 | C77 | 174.3° | 174.3° |
| C84 | C78 | N79 | C60 | 177.9° | 177.9° |
| C84 | C78 | C77 | C66 | 177.2° | 177.2° |
| C84 | C78 | C77 | H38 | 2.8° | 2.7° |
| C78 | C84 | N86 | H39 | 10.5° | 10.5° |
| C39 | C29 | S42 | O16 | 134.3° | 134.3° |
| C39 | C29 | S42 | O14 | 105.1° | 105.1° |
| C39 | C29 | S42 | O15 | 14.5° | 14.5° |
| C29 | S42 | O16 | O14 | 120.4° | 120.4° |
| C29 | S42 | O16 | O15 | 119.5° | 119.5° |
| C29 | S42 | O14 | O15 | 119.5° | 119.5° |
| S42 | C29 | C39 | H23 | 2.5° | 2.5° |
| O16 | S42 | O14 | O15 | 120.4° | 120.4° |
| C19 | C12 | C13 | C14 | 179.0° | 179.0° |
| C12 | C19 | S23 | O7 | 90.9° | 90.9° |
| C12 | C19 | S23 | O8 | 149.4° | 149.4° |
| C12 | C19 | S23 | O6 | 28.1° | 28.1° |
| C19 | C12 | C13 | H8 | 1.0° | 1.0° |
| C12 | C19 | C20 | H11 | 179.7° | 179.7° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C19 | S23 | 3.5° | 3.5° |
| C12 | C13 | C14 | H9 | 179.8° | 179.7° |
| N50 | C59 | C60 | N79 | 2.6° | 2.6° |
| N50 | C59 | C60 | C65 | 174.4° | 174.4° |
| N50 | C59 | C60 | C61 | 176.2° | 176.2° |
| N50 | C59 | C65 | C63 | 177.2° | 177.2° |
| N50 | C59 | C65 | H37 | 2.8° | 2.8° |
| O17 | C47 | N49 | H24 | 158.3° | 158.3° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C19 | S23 | O7 | O8 | 120.0° | 120.0° |
| C19 | S23 | O7 | O6 | 118.2° | 118.2° |
| C19 | S23 | O8 | O6 | 120.0° | 120.0° |
| S23 | C19 | C20 | H11 | 2.2° | 2.2° |
| C55 | C54 | C53 | H25 | 179.9° | 179.9° |
| C78 | N79 | C60 | C59 | 177.8° | 177.8° |
| C78 | N79 | C60 | C61 | 3.4° | 3.4° |
| N79 | C78 | C77 | C66 | 3.4° | 3.4° |
| N79 | C78 | C77 | H38 | 176.6° | 176.5° |
| C60 | N79 | C78 | C77 | 3.6° | 3.6° |
| N79 | C60 | C59 | C61 | 178.8° | 178.8° |
| N79 | C60 | C59 | C65 | 176.9° | 176.9° |
| N79 | C60 | C61 | C66 | 2.9° | 2.9° |
| N79 | C60 | C61 | C62 | 178.4° | 178.4° |
| C78 | C77 | C66 | H38 | 180.0° | 180.0° |
| C78 | C77 | C66 | C61 | 3.0° | 3.0° |
| C78 | C77 | C66 | S80 | 178.8° | 178.8° |
| C60 | C59 | C65 | C63 | 3.2° | 3.2° |
| C59 | C60 | C61 | C66 | 178.3° | 178.3° |
| C59 | C60 | C61 | C62 | 0.4° | 0.4° |
| C60 | C59 | N50 | H34 | 19.9° | 19.9° |
| C60 | C59 | C65 | H37 | 176.8° | 176.8° |
| C65 | C59 | C60 | C61 | 1.8° | 1.8° |
| C59 | C65 | C63 | H37 | 180.0° | 180.0° |
| C59 | C65 | C63 | C62 | 3.3° | 3.3° |
| C65 | C59 | N50 | H34 | 154.0° | 154.0° |
| C59 | C65 | C63 | H36 | 176.7° | 176.7° |
| O7 | S23 | O8 | O6 | 121.3° | 121.3° |
| C60 | C61 | C66 | C77 | 2.8° | 2.8° |
| C60 | C61 | C66 | C62 | 178.6° | 178.6° |
| C60 | C61 | C66 | S80 | 179.0° | 179.0° |
| C60 | C61 | C62 | C63 | 0.3° | 0.3° |
| C60 | C61 | C62 | H35 | 179.7° | 179.7° |
| C77 | C66 | C61 | S80 | 178.2° | 178.2° |
| C77 | C66 | C61 | C62 | 178.6° | 178.6° |
| C77 | C66 | S80 | O25 | 102.3° | 102.3° |
| C77 | C66 | S80 | O26 | 18.0° | 18.0° |
| C77 | C66 | S80 | O27 | 138.2° | 138.2° |
| C65 | C63 | C62 | C61 | 1.7° | 1.7° |
| C65 | C63 | C62 | H36 | 180.0° | 180.0° |
| C65 | C63 | C62 | H35 | 178.3° | 178.3° |
| C66 | C61 | C62 | C63 | 178.3° | 178.3° |
| C61 | C66 | S80 | O25 | 79.5° | 79.5° |
| C61 | C66 | S80 | O26 | 160.1° | 160.1° |
| C61 | C66 | S80 | O27 | 40.0° | 40.0° |
| C66 | C61 | C62 | H35 | 1.8° | 1.8° |
| C61 | C66 | C77 | H38 | 177.0° | 176.9° |
| C62 | C61 | C66 | S80 | 0.4° | 0.4° |
| C61 | C62 | C63 | H35 | 180.0° | 180.0° |
| C61 | C62 | C63 | H36 | 178.3° | 178.3° |
| C66 | S80 | O25 | O26 | 120.2° | 120.2° |
| C66 | S80 | O25 | O27 | 119.4° | 119.4° |
| C66 | S80 | O26 | O27 | 119.7° | 119.7° |
| S80 | C66 | C77 | H38 | 1.3° | 1.3° |
| C62 | C63 | C65 | H37 | 176.7° | 176.7° |
| O25 | S80 | O26 | O27 | 120.0° | 120.0° |
| H2 | C9 | C7 | H18 | 3.3° | 3.3° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 0.2° | 0.2° |
| H9 | C14 | C15 | H10 | 0.0° | 0.1° |
| H13 | C33 | C34 | H14 | 1.3° | 1.3° |
| H14 | C34 | C35 | H15 | 1.6° | 1.6° |
| H18 | C7 | C8 | H19 | 2.3° | 2.3° |
| H20 | C25 | C26 | H21 | 0.6° | 0.6° |
| H21 | C26 | C28 | H22 | 1.3° | 1.3° |
| H25 | C53 | C54 | H26 | 0.1° | 0.1° |
| H26 | C54 | C55 | H27 | 1.4° | 1.4° |
| H30 | C67 | C72 | H32 | 2.6° | 2.6° |
| H31 | C71 | C72 | H32 | 1.5° | 1.5° |
| H35 | C62 | C63 | H36 | 1.7° | 1.7° |
| H36 | C63 | C65 | H37 | 3.3° | 3.3° |
| H40 | C90 | C91 | H41 | 0.8° | 0.8° |
| H41 | C91 | C92 | H42 | 0.9° | 0.9° |
