ZMS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | N04 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C77 | sing | 1.40Å | 1.40Å | Aromatic |
| N04 | C05 | doub | 1.32Å | 1.31Å | Aromatic |
| C77 | N78 | sing | 1.39Å | 1.46Å | |
| C77 | N76 | doub | 1.33Å | 1.31Å | Aromatic |
| C05 | N76 | sing | 1.32Å | 1.34Å | Aromatic |
| C05 | N06 | sing | 1.39Å | 1.47Å | |
| N78 | C79 | sing | 1.40Å | 1.45Å | |
| N06 | C07 | sing | 1.39Å | 1.49Å | |
| C79 | C93 | doub | 1.39Å | 1.39Å | Aromatic |
| C79 | C80 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | C75 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.37Å | Aromatic |
| C93 | C92 | sing | 1.38Å | 1.40Å | Aromatic |
| C75 | C73 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.37Å | 1.40Å | Aromatic |
| C80 | C81 | doub | 1.39Å | 1.39Å | Aromatic |
| C92 | C90 | doub | 1.38Å | 1.38Å | Aromatic |
| C73 | F74 | sing | 1.35Å | 1.38Å | |
| C73 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C81 | C90 | sing | 1.39Å | 1.40Å | Aromatic |
| C81 | N82 | sing | 1.40Å | 1.47Å | |
| C10 | C11 | sing | 1.47Å | 1.60Å | |
| C90 | CL91 | sing | 1.74Å | 1.79Å | |
| O85 | S83 | doub | 1.42Å | 1.48Å | |
| N82 | S83 | sing | 1.66Å | 1.74Å | |
| C11 | O12 | doub | 1.22Å | 1.19Å | |
| C11 | N13 | sing | 1.35Å | 1.45Å | |
| S83 | O84 | doub | 1.42Å | 1.47Å | |
| S83 | C86 | sing | 1.81Å | 1.87Å | |
| C88 | C86 | sing | 1.53Å | 1.53Å | |
| N13 | C14 | sing | 1.46Å | 1.53Å | |
| O32 | C31 | doub | 1.21Å | 1.20Å | |
| C86 | C89 | sing | 1.53Å | 1.54Å | |
| C86 | C87 | sing | 1.53Å | 1.56Å | |
| C28 | O29 | sing | 1.43Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.51Å | 1.55Å | |
| C31 | N33 | sing | 1.35Å | 1.47Å | |
| C19 | C14 | sing | 1.53Å | 1.38Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.39Å | |
| C30 | O29 | sing | 1.43Å | 1.44Å | |
| C34 | N33 | sing | 1.47Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| N33 | C38 | sing | 1.47Å | 1.50Å | |
| C27 | O26 | sing | 1.43Å | 1.46Å | |
| C35 | C36 | sing | 1.53Å | 1.49Å | |
| O26 | C25 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C18 | N17 | sing | 1.47Å | 1.58Å | |
| CL55 | C54 | sing | 1.74Å | 1.78Å | |
| C36 | N39 | sing | 1.46Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.46Å | |
| C38 | C37 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.58Å | |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| N39 | C40 | sing | 1.35Å | 1.45Å | |
| C16 | N17 | sing | 1.47Å | 1.57Å | |
| N17 | C20 | sing | 1.35Å | 1.44Å | |
| C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C54 | C56 | sing | 1.39Å | 1.36Å | Aromatic |
| C40 | O41 | doub | 1.22Å | 1.20Å | |
| C40 | C42 | sing | 1.47Å | 1.53Å | |
| C22 | C20 | sing | 1.51Å | 1.54Å | |
| C22 | O23 | sing | 1.43Å | 1.43Å | |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| F72 | C71 | sing | 1.35Å | 1.37Å | |
| C42 | C71 | doub | 1.40Å | 1.41Å | Aromatic |
| C42 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
| C52 | C51 | doub | 1.39Å | 1.38Å | Aromatic |
| C71 | C70 | sing | 1.38Å | 1.41Å | Aromatic |
| N57 | C56 | sing | 1.40Å | 1.47Å | |
| N57 | S58 | sing | 1.66Å | 1.72Å | |
| C56 | C65 | doub | 1.39Å | 1.38Å | Aromatic |
| C43 | C44 | doub | 1.36Å | 1.38Å | Aromatic |
| C63 | C61 | sing | 1.53Å | 1.54Å | |
| C70 | C45 | doub | 1.39Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | N46 | sing | 1.39Å | 1.44Å | |
| C51 | C65 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | N50 | sing | 1.40Å | 1.48Å | |
| O60 | S58 | doub | 1.42Å | 1.47Å | |
| S58 | C61 | sing | 1.81Å | 1.83Å | |
| S58 | O59 | doub | 1.42Å | 1.46Å | |
| N46 | C47 | sing | 1.39Å | 1.45Å | |
| C61 | C64 | sing | 1.53Å | 1.58Å | |
| C61 | C62 | sing | 1.53Å | 1.50Å | |
| N48 | C47 | doub | 1.32Å | 1.29Å | Aromatic |
| N48 | C49 | sing | 1.33Å | 1.32Å | Aromatic |
| N50 | C49 | sing | 1.39Å | 1.45Å | |
| C47 | N69 | sing | 1.32Å | 1.34Å | Aromatic |
| C49 | C66 | doub | 1.40Å | 1.40Å | Aromatic |
| N69 | C68 | doub | 1.33Å | 1.32Å | Aromatic |
| C66 | C68 | sing | 1.38Å | 1.37Å | Aromatic |
| C66 | C67 | sing | 1.51Å | 1.54Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C43 | H25 | sing | 1.08Å | 1.08Å | |
| C01 | H26 | sing | 1.09Å | 1.10Å | |
| C01 | H27 | sing | 1.09Å | 1.10Å | |
| C01 | H28 | sing | 1.09Å | 1.10Å | |
| C03 | H29 | sing | 1.08Å | 1.08Å | |
| C08 | H30 | sing | 1.08Å | 1.08Å | |
| C09 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.08Å | 1.08Å | |
| C52 | H39 | sing | 1.08Å | 1.08Å | |
| C53 | H40 | sing | 1.08Å | 1.08Å | |
| C62 | H41 | sing | 1.09Å | 1.10Å | |
| C62 | H42 | sing | 1.09Å | 1.10Å | |
| C62 | H43 | sing | 1.09Å | 1.10Å | |
| C63 | H44 | sing | 1.09Å | 1.10Å | |
| C63 | H45 | sing | 1.09Å | 1.10Å | |
| C63 | H46 | sing | 1.09Å | 1.10Å | |
| C64 | H47 | sing | 1.09Å | 1.10Å | |
| C64 | H48 | sing | 1.09Å | 1.10Å | |
| C64 | H49 | sing | 1.09Å | 1.10Å | |
| C65 | H50 | sing | 1.08Å | 1.08Å | |
| C67 | H51 | sing | 1.09Å | 1.10Å | |
| C67 | H52 | sing | 1.09Å | 1.10Å | |
| C67 | H53 | sing | 1.09Å | 1.10Å | |
| C68 | H54 | sing | 1.08Å | 1.08Å | |
| C70 | H55 | sing | 1.08Å | 1.08Å | |
| C75 | H56 | sing | 1.08Å | 1.08Å | |
| C80 | H57 | sing | 1.08Å | 1.08Å | |
| C87 | H58 | sing | 1.09Å | 1.10Å | |
| C87 | H59 | sing | 1.09Å | 1.10Å | |
| C87 | H60 | sing | 1.09Å | 1.10Å | |
| C88 | H61 | sing | 1.09Å | 1.10Å | |
| C88 | H62 | sing | 1.09Å | 1.10Å | |
| C88 | H63 | sing | 1.09Å | 1.10Å | |
| C89 | H64 | sing | 1.09Å | 1.10Å | |
| C89 | H65 | sing | 1.09Å | 1.10Å | |
| C89 | H66 | sing | 1.09Å | 1.10Å | |
| C92 | H67 | sing | 1.08Å | 1.08Å | |
| C93 | H68 | sing | 1.08Å | 1.08Å | |
| N06 | H69 | sing | 0.97Å | 1.00Å | |
| N13 | H70 | sing | 0.97Å | 1.00Å | |
| N39 | H71 | sing | 0.97Å | 1.00Å | |
| N46 | H72 | sing | 0.97Å | 1.00Å | |
| N50 | H73 | sing | 0.97Å | 1.00Å | |
| N57 | H74 | sing | 0.97Å | 1.00Å | |
| N78 | H75 | sing | 0.97Å | 1.00Å | |
| N82 | H76 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 119.9° | 120.7° |
| C01 | C02 | C77 | 120.7° | 120.7° |
| C02 | C01 | H26 | 109.5° | 109.4° |
| C02 | C01 | H27 | 109.5° | 109.5° |
| C02 | C01 | H28 | 109.5° | 109.5° |
| C02 | C03 | N04 | 116.6° | 119.3° |
| C03 | C02 | C77 | 119.4° | 118.5° |
| C02 | C03 | H29 | 121.7° | 120.3° |
| C03 | N04 | C05 | 122.8° | 120.9° |
| N04 | C03 | H29 | 121.7° | 120.4° |
| C02 | C77 | N78 | 117.2° | 120.5° |
| C02 | C77 | N76 | 120.4° | 119.0° |
| N04 | C05 | N76 | 122.5° | 121.7° |
| N04 | C05 | N06 | 115.3° | 119.2° |
| N78 | C77 | N76 | 122.4° | 120.5° |
| C77 | N78 | C79 | 124.6° | 120.0° |
| C77 | N78 | H75 | 117.7° | 119.9° |
| C77 | N76 | C05 | 118.3° | 120.6° |
| N76 | C05 | N06 | 122.3° | 119.1° |
| C05 | N06 | C07 | 126.5° | 120.0° |
| C05 | N06 | H69 | 116.8° | 120.0° |
| N78 | C79 | C93 | 115.4° | 120.0° |
| N78 | C79 | C80 | 123.4° | 120.0° |
| C79 | N78 | H75 | 117.7° | 120.1° |
| N06 | C07 | C75 | 122.5° | 120.0° |
| N06 | C07 | C08 | 115.6° | 119.9° |
| C07 | N06 | H69 | 116.8° | 120.0° |
| C93 | C79 | C80 | 121.1° | 120.0° |
| C79 | C93 | C92 | 119.5° | 120.1° |
| C79 | C93 | H68 | 120.3° | 120.0° |
| C79 | C80 | C81 | 118.6° | 119.9° |
| C79 | C80 | H57 | 120.7° | 120.1° |
| C75 | C07 | C08 | 122.0° | 120.2° |
| C07 | C75 | C73 | 118.5° | 120.0° |
| C07 | C75 | H56 | 120.7° | 120.0° |
| C07 | C08 | C09 | 119.5° | 120.2° |
| C07 | C08 | H30 | 120.2° | 119.9° |
| C93 | C92 | C90 | 119.8° | 120.1° |
| C93 | C92 | H67 | 120.1° | 119.9° |
| C92 | C93 | H68 | 120.3° | 119.9° |
| C75 | C73 | F74 | 118.6° | 120.2° |
| C75 | C73 | C10 | 119.9° | 119.7° |
| C73 | C75 | H56 | 120.7° | 120.0° |
| C08 | C09 | C10 | 119.1° | 120.1° |
| C09 | C08 | H30 | 120.2° | 119.9° |
| C08 | C09 | H31 | 120.5° | 120.0° |
| C80 | C81 | C90 | 120.2° | 119.9° |
| C80 | C81 | N82 | 123.0° | 120.1° |
| C81 | C80 | H57 | 120.7° | 120.1° |
| C92 | C90 | C81 | 120.9° | 120.0° |
| C92 | C90 | CL91 | 120.2° | 120.0° |
| C90 | C92 | H67 | 120.1° | 119.9° |
| F74 | C73 | C10 | 121.5° | 120.1° |
| C73 | C10 | C09 | 121.0° | 119.8° |
| C73 | C10 | C11 | 121.9° | 120.1° |
| C09 | C10 | C11 | 117.1° | 120.1° |
| C10 | C09 | H31 | 120.4° | 119.9° |
| C90 | C81 | N82 | 116.8° | 120.0° |
| C81 | C90 | CL91 | 118.9° | 119.9° |
| C81 | N82 | S83 | 123.9° | 120.0° |
| C81 | N82 | H76 | 105.8° | 120.0° |
| C10 | C11 | O12 | 118.3° | 120.0° |
| C10 | C11 | N13 | 120.9° | 120.0° |
| O85 | S83 | N82 | 112.6° | 104.3° |
| O85 | S83 | O84 | 105.0° | 121.0° |
| O85 | S83 | C86 | 111.2° | 110.5° |
| N82 | S83 | O84 | 109.7° | 104.3° |
| N82 | S83 | C86 | 111.4° | 104.5° |
| S83 | N82 | H76 | 105.8° | 120.0° |
| O12 | C11 | N13 | 120.7° | 120.0° |
| C11 | N13 | C14 | 119.0° | 120.1° |
| C11 | N13 | H70 | 120.5° | 120.0° |
| O84 | S83 | C86 | 106.5° | 110.5° |
| S83 | C86 | C88 | 107.2° | 109.5° |
| S83 | C86 | C89 | 109.6° | 109.5° |
| S83 | C86 | C87 | 108.7° | 109.5° |
| C88 | C86 | C89 | 109.5° | 109.5° |
| C88 | C86 | C87 | 112.2° | 109.5° |
| C86 | C88 | H61 | 109.5° | 109.5° |
| C86 | C88 | H62 | 109.5° | 109.5° |
| C86 | C88 | H63 | 109.4° | 109.5° |
| N13 | C14 | C19 | 107.9° | 109.5° |
| N13 | C14 | C15 | 111.3° | 109.5° |
| N13 | C14 | H1 | 105.2° | 109.5° |
| C14 | N13 | H70 | 120.5° | 120.0° |
| O32 | C31 | C30 | 121.9° | 120.0° |
| O32 | C31 | N33 | 119.9° | 120.0° |
| C89 | C86 | C87 | 109.7° | 109.5° |
| C86 | C89 | H64 | 109.5° | 109.5° |
| C86 | C89 | H65 | 109.4° | 109.4° |
| C86 | C89 | H66 | 109.5° | 109.4° |
| C86 | C87 | H58 | 109.5° | 109.5° |
| C86 | C87 | H59 | 109.5° | 109.5° |
| C86 | C87 | H60 | 109.5° | 109.5° |
| O29 | C28 | C27 | 109.1° | 109.5° |
| C28 | O29 | C30 | 112.5° | 114.0° |
| O29 | C28 | H36 | 109.6° | 109.5° |
| O29 | C28 | H37 | 109.6° | 109.5° |
| C28 | C27 | O26 | 110.0° | 109.5° |
| C28 | C27 | H12 | 109.3° | 109.5° |
| C28 | C27 | H13 | 109.3° | 109.5° |
| C27 | C28 | H36 | 109.5° | 109.5° |
| C27 | C28 | H37 | 109.6° | 109.5° |
| C30 | C31 | N33 | 118.2° | 120.0° |
| C31 | C30 | O29 | 112.6° | 109.4° |
| C31 | C30 | H14 | 108.7° | 109.5° |
| C31 | C30 | H15 | 108.7° | 109.4° |
| C31 | N33 | C34 | 125.3° | 120.6° |
| C31 | N33 | C38 | 120.1° | 120.7° |
| C14 | C19 | C18 | 114.8° | 109.3° |
| C19 | C14 | C15 | 117.8° | 109.6° |
| C19 | C14 | H1 | 107.0° | 109.5° |
| C14 | C19 | H6 | 108.1° | 109.5° |
| C14 | C19 | H7 | 108.1° | 109.5° |
| C19 | C18 | N17 | 115.4° | 108.8° |
| C18 | C19 | H6 | 108.2° | 109.5° |
| C18 | C19 | H7 | 108.1° | 109.5° |
| C19 | C18 | H32 | 108.0° | 109.7° |
| C19 | C18 | H33 | 107.9° | 109.6° |
| C14 | C15 | C16 | 113.6° | 109.3° |
| C15 | C14 | H1 | 106.8° | 109.4° |
| C14 | C15 | H2 | 108.4° | 109.4° |
| C14 | C15 | H3 | 108.4° | 109.5° |
| O29 | C30 | H14 | 108.7° | 109.5° |
| O29 | C30 | H15 | 108.7° | 109.5° |
| N33 | C34 | C35 | 114.8° | 108.8° |
| C34 | N33 | C38 | 114.5° | 118.7° |
| N33 | C34 | H16 | 108.1° | 109.6° |
| N33 | C34 | H17 | 108.1° | 109.6° |
| C34 | C35 | C36 | 110.2° | 109.3° |
| C35 | C34 | H16 | 108.1° | 109.6° |
| C35 | C34 | H17 | 108.1° | 109.6° |
| C34 | C35 | H18 | 109.3° | 109.5° |
| C34 | C35 | H19 | 109.3° | 109.5° |
| N33 | C38 | C37 | 112.9° | 108.8° |
| N33 | C38 | H23 | 108.6° | 109.6° |
| N33 | C38 | H24 | 108.6° | 109.7° |
| C27 | O26 | C25 | 113.3° | 114.0° |
| O26 | C27 | H12 | 109.3° | 109.5° |
| O26 | C27 | H13 | 109.4° | 109.5° |
| C35 | C36 | N39 | 116.2° | 109.5° |
| C35 | C36 | C37 | 110.6° | 109.5° |
| C36 | C35 | H18 | 109.3° | 109.5° |
| C36 | C35 | H19 | 109.3° | 109.5° |
| C35 | C36 | H20 | 107.9° | 109.4° |
| O26 | C25 | C24 | 109.3° | 109.5° |
| O26 | C25 | H10 | 109.5° | 109.5° |
| O26 | C25 | H11 | 109.5° | 109.4° |
| C15 | C16 | N17 | 113.3° | 108.8° |
| C16 | C15 | H2 | 108.4° | 109.5° |
| C16 | C15 | H3 | 108.4° | 109.5° |
| C15 | C16 | H4 | 108.5° | 109.6° |
| C15 | C16 | H5 | 108.5° | 109.6° |
| C18 | N17 | C16 | 91.3° | 118.7° |
| C18 | N17 | C20 | 134.7° | 120.6° |
| N17 | C18 | H32 | 108.0° | 109.5° |
| N17 | C18 | H33 | 108.0° | 109.6° |
| CL55 | C54 | C53 | 121.2° | 120.0° |
| CL55 | C54 | C56 | 115.9° | 120.0° |
| N39 | C36 | C37 | 105.8° | 109.5° |
| C36 | N39 | C40 | 125.3° | 120.0° |
| N39 | C36 | H20 | 108.0° | 109.5° |
| C36 | N39 | H71 | 117.3° | 120.0° |
| C36 | C37 | C38 | 110.9° | 109.3° |
| C37 | C36 | H20 | 108.2° | 109.4° |
| C36 | C37 | H21 | 109.1° | 109.5° |
| C36 | C37 | H22 | 109.1° | 109.5° |
| C38 | C37 | H21 | 109.1° | 109.5° |
| C38 | C37 | H22 | 109.1° | 109.5° |
| C37 | C38 | H23 | 108.6° | 109.6° |
| C37 | C38 | H24 | 108.6° | 109.6° |
| C25 | C24 | O23 | 109.4° | 109.5° |
| C25 | C24 | H8 | 109.5° | 109.4° |
| C25 | C24 | H9 | 109.5° | 109.4° |
| C24 | C25 | H10 | 109.5° | 109.5° |
| C24 | C25 | H11 | 109.5° | 109.4° |
| C24 | O23 | C22 | 114.1° | 114.0° |
| O23 | C24 | H8 | 109.5° | 109.5° |
| O23 | C24 | H9 | 109.5° | 109.5° |
| N39 | C40 | O41 | 123.7° | 120.0° |
| N39 | C40 | C42 | 118.7° | 120.0° |
| C40 | N39 | H71 | 117.3° | 119.9° |
| C16 | N17 | C20 | 134.1° | 120.6° |
| N17 | C16 | H4 | 108.5° | 109.6° |
| N17 | C16 | H5 | 108.5° | 109.6° |
| N17 | C20 | C22 | 121.4° | 120.0° |
| N17 | C20 | O21 | 119.2° | 120.0° |
| C54 | C53 | C52 | 117.9° | 120.1° |
| C53 | C54 | C56 | 122.9° | 120.0° |
| C54 | C53 | H40 | 121.0° | 119.9° |
| C53 | C52 | C51 | 118.2° | 120.1° |
| C53 | C52 | H39 | 120.9° | 120.0° |
| C52 | C53 | H40 | 121.0° | 119.9° |
| C54 | C56 | N57 | 116.7° | 120.0° |
| C54 | C56 | C65 | 120.5° | 119.9° |
| O41 | C40 | C42 | 117.5° | 120.0° |
| C40 | C42 | C71 | 123.6° | 120.1° |
| C40 | C42 | C43 | 113.9° | 120.1° |
| C20 | C22 | O23 | 108.1° | 109.5° |
| C22 | C20 | O21 | 119.3° | 120.0° |
| C20 | C22 | H34 | 109.8° | 109.4° |
| C20 | C22 | H35 | 109.8° | 109.4° |
| O23 | C22 | H34 | 109.8° | 109.5° |
| O23 | C22 | H35 | 109.8° | 109.5° |
| F72 | C71 | C42 | 121.6° | 120.1° |
| F72 | C71 | C70 | 117.6° | 120.1° |
| C71 | C42 | C43 | 122.4° | 119.8° |
| C42 | C71 | C70 | 120.9° | 119.7° |
| C42 | C43 | C44 | 116.6° | 120.1° |
| C42 | C43 | H25 | 121.7° | 119.9° |
| C52 | C51 | C65 | 124.0° | 120.0° |
| C52 | C51 | N50 | 121.1° | 120.1° |
| C51 | C52 | H39 | 120.9° | 119.9° |
| C71 | C70 | C45 | 115.4° | 119.9° |
| C71 | C70 | H55 | 122.3° | 120.0° |
| C56 | N57 | S58 | 123.1° | 120.0° |
| N57 | C56 | C65 | 122.8° | 120.1° |
| C56 | N57 | H74 | 106.0° | 120.0° |
| N57 | S58 | O60 | 108.1° | 104.3° |
| N57 | S58 | C61 | 109.2° | 104.4° |
| N57 | S58 | O59 | 113.1° | 104.3° |
| S58 | N57 | H74 | 106.0° | 120.0° |
| C56 | C65 | C51 | 116.4° | 119.8° |
| C56 | C65 | H50 | 121.8° | 120.1° |
| C43 | C44 | C45 | 121.6° | 120.3° |
| C44 | C43 | H25 | 121.7° | 120.0° |
| C43 | C44 | H38 | 119.2° | 119.9° |
| C63 | C61 | S58 | 107.8° | 109.4° |
| C63 | C61 | C64 | 111.2° | 109.5° |
| C63 | C61 | C62 | 109.8° | 109.5° |
| C61 | C63 | H44 | 109.5° | 109.5° |
| C61 | C63 | H45 | 109.5° | 109.5° |
| C61 | C63 | H46 | 109.5° | 109.4° |
| C70 | C45 | C44 | 123.0° | 120.2° |
| C70 | C45 | N46 | 124.8° | 119.9° |
| C45 | C70 | H55 | 122.3° | 120.1° |
| C44 | C45 | N46 | 112.2° | 119.9° |
| C45 | C44 | H38 | 119.2° | 119.9° |
| C45 | N46 | C47 | 126.5° | 120.0° |
| C45 | N46 | H72 | 116.7° | 120.0° |
| C65 | C51 | N50 | 114.8° | 120.0° |
| C51 | C65 | H50 | 121.8° | 120.1° |
| C51 | N50 | C49 | 124.6° | 119.9° |
| C51 | N50 | H73 | 117.7° | 120.1° |
| O60 | S58 | C61 | 109.8° | 110.5° |
| O60 | S58 | O59 | 105.5° | 121.0° |
| C61 | S58 | O59 | 111.0° | 110.6° |
| S58 | C61 | C64 | 110.9° | 109.5° |
| S58 | C61 | C62 | 107.1° | 109.4° |
| N46 | C47 | N48 | 119.8° | 119.1° |
| N46 | C47 | N69 | 116.1° | 119.2° |
| C47 | N46 | H72 | 116.8° | 120.0° |
| C64 | C61 | C62 | 110.0° | 109.5° |
| C61 | C64 | H47 | 109.5° | 109.5° |
| C61 | C64 | H48 | 109.5° | 109.5° |
| C61 | C64 | H49 | 109.5° | 109.5° |
| C61 | C62 | H41 | 109.5° | 109.5° |
| C61 | C62 | H42 | 109.5° | 109.5° |
| C61 | C62 | H43 | 109.5° | 109.5° |
| C47 | N48 | C49 | 117.6° | 120.6° |
| N48 | C47 | N69 | 124.1° | 121.6° |
| N48 | C49 | N50 | 122.5° | 120.6° |
| N48 | C49 | C66 | 121.4° | 119.0° |
| N50 | C49 | C66 | 116.1° | 120.4° |
| C49 | N50 | H73 | 117.7° | 120.0° |
| C47 | N69 | C68 | 120.7° | 121.0° |
| C49 | C66 | C68 | 118.3° | 118.5° |
| C49 | C66 | C67 | 119.5° | 120.7° |
| N69 | C68 | C66 | 117.9° | 119.2° |
| N69 | C68 | H54 | 121.1° | 120.4° |
| C68 | C66 | C67 | 122.2° | 120.8° |
| C66 | C68 | H54 | 121.0° | 120.4° |
| C66 | C67 | H51 | 109.5° | 109.5° |
| C66 | C67 | H52 | 109.5° | 109.4° |
| C66 | C67 | H53 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.7° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.4° | 109.5° |
| H16 | C34 | H17 | 109.5° | 109.7° |
| H18 | C35 | H19 | 109.5° | 109.4° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.6° |
| H26 | C01 | H27 | 109.5° | 109.5° |
| H26 | C01 | H28 | 109.5° | 109.4° |
| H27 | C01 | H28 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.7° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| H36 | C28 | H37 | 109.5° | 109.5° |
| H41 | C62 | H42 | 109.4° | 109.4° |
| H41 | C62 | H43 | 109.4° | 109.5° |
| H42 | C62 | H43 | 109.5° | 109.5° |
| H44 | C63 | H45 | 109.5° | 109.5° |
| H44 | C63 | H46 | 109.5° | 109.5° |
| H45 | C63 | H46 | 109.5° | 109.4° |
| H47 | C64 | H48 | 109.5° | 109.5° |
| H47 | C64 | H49 | 109.4° | 109.5° |
| H48 | C64 | H49 | 109.5° | 109.4° |
| H51 | C67 | H52 | 109.5° | 109.5° |
| H51 | C67 | H53 | 109.4° | 109.5° |
| H52 | C67 | H53 | 109.5° | 109.5° |
| H58 | C87 | H59 | 109.5° | 109.5° |
| H58 | C87 | H60 | 109.4° | 109.5° |
| H59 | C87 | H60 | 109.5° | 109.4° |
| H61 | C88 | H62 | 109.5° | 109.4° |
| H61 | C88 | H63 | 109.4° | 109.5° |
| H62 | C88 | H63 | 109.5° | 109.5° |
| H64 | C89 | H65 | 109.5° | 109.5° |
| H64 | C89 | H66 | 109.4° | 109.5° |
| H65 | C89 | H66 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C77 | 179.2° | 179.8° |
| C01 | C02 | C03 | N04 | 179.4° | 179.9° |
| C01 | C02 | C77 | N78 | 0.9° | 0.1° |
| C01 | C02 | C77 | N76 | 179.9° | 180.0° |
| C02 | C01 | H26 | H27 | 120.0° | 120.0° |
| C02 | C01 | H26 | H28 | 120.0° | 120.0° |
| C02 | C01 | H27 | H28 | 120.0° | 120.1° |
| C01 | C02 | C03 | H29 | 0.5° | 0.0° |
| C02 | C03 | N04 | H29 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C77 | N78 | 179.9° | 179.7° |
| C03 | C02 | C77 | N76 | 0.8° | 0.2° |
| C03 | C02 | C01 | H26 | 89.6° | 89.8° |
| C03 | C02 | C01 | H27 | 150.4° | 30.2° |
| C03 | C02 | C01 | H28 | 30.4° | 150.3° |
| N04 | C03 | C02 | C77 | 0.2° | 0.2° |
| C03 | N04 | C05 | N76 | 0.8° | 0.3° |
| C03 | N04 | C05 | N06 | 179.9° | 180.0° |
| C02 | C77 | N78 | N76 | 179.0° | 179.9° |
| C02 | C77 | N76 | C05 | 1.4° | 0.1° |
| C02 | C77 | N78 | C79 | 163.3° | 174.7° |
| C77 | C02 | C01 | H26 | 89.6° | 90.0° |
| C77 | C02 | C01 | H27 | 30.4° | 149.9° |
| C77 | C02 | C01 | H28 | 150.4° | 29.9° |
| C77 | C02 | C03 | H29 | 179.7° | 179.8° |
| C02 | C77 | N78 | H75 | 16.7° | 5.3° |
| N04 | C05 | N76 | C77 | 1.4° | 0.3° |
| N04 | C05 | N76 | N06 | 179.2° | 179.7° |
| N04 | C05 | N06 | C07 | 176.6° | 3.2° |
| C05 | N04 | C03 | H29 | 179.7° | 180.0° |
| N04 | C05 | N06 | H69 | 3.4° | 176.8° |
| N78 | C77 | N76 | C05 | 179.6° | 180.0° |
| C77 | N78 | C79 | H75 | 180.0° | 180.0° |
| C77 | N78 | C79 | C93 | 168.3° | 33.7° |
| C77 | N78 | C79 | C80 | 12.8° | 146.0° |
| C77 | N76 | C05 | N06 | 179.4° | 180.0° |
| N76 | C77 | N78 | C79 | 17.7° | 5.3° |
| N76 | C77 | N78 | H75 | 162.3° | 174.8° |
| N76 | C05 | N06 | C07 | 4.2° | 177.1° |
| N76 | C05 | N06 | H69 | 175.9° | 2.9° |
| C05 | N06 | C07 | H69 | 180.0° | 179.9° |
| C05 | N06 | C07 | C75 | 19.1° | 35.9° |
| C05 | N06 | C07 | C08 | 160.7° | 143.9° |
| N78 | C79 | C93 | C80 | 178.9° | 179.7° |
| N78 | C79 | C93 | C92 | 178.8° | 179.7° |
| N78 | C79 | C80 | C81 | 179.1° | 179.7° |
| N78 | C79 | C80 | H57 | 0.9° | 0.3° |
| N78 | C79 | C93 | H68 | 1.1° | 0.3° |
| N06 | C07 | C75 | C08 | 179.9° | 179.8° |
| N06 | C07 | C75 | C73 | 179.7° | 179.7° |
| N06 | C07 | C08 | C09 | 179.5° | 179.7° |
| N06 | C07 | C08 | H30 | 0.5° | 0.3° |
| N06 | C07 | C75 | H56 | 0.3° | 0.2° |
| C79 | C93 | C92 | H68 | 180.0° | 180.0° |
| C93 | C79 | C80 | C81 | 0.3° | 0.0° |
| C79 | C93 | C92 | C90 | 0.7° | 0.0° |
| C93 | C79 | C80 | H57 | 179.7° | 180.0° |
| C79 | C93 | C92 | H67 | 179.4° | 179.9° |
| C93 | C79 | N78 | H75 | 11.7° | 146.2° |
| C80 | C79 | C93 | C92 | 0.1° | 0.0° |
| C79 | C80 | C81 | H57 | 180.0° | 180.0° |
| C79 | C80 | C81 | C90 | 0.0° | 0.0° |
| C79 | C80 | C81 | N82 | 179.0° | 180.0° |
| C80 | C79 | C93 | H68 | 179.9° | 180.0° |
| C80 | C79 | N78 | H75 | 167.2° | 34.1° |
| C07 | C75 | C73 | H56 | 180.0° | 180.0° |
| C75 | C07 | C08 | C09 | 0.6° | 0.0° |
| C07 | C75 | C73 | F74 | 179.8° | 180.0° |
| C07 | C75 | C73 | C10 | 0.3° | 0.0° |
| C75 | C07 | C08 | H30 | 179.4° | 180.0° |
| C75 | C07 | N06 | H69 | 160.9° | 144.2° |
| C08 | C07 | C75 | C73 | 0.4° | 0.0° |
| C07 | C08 | C09 | H30 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.6° | 0.0° |
| C07 | C08 | C09 | H31 | 179.4° | 180.0° |
| C08 | C07 | C75 | H56 | 179.6° | 180.0° |
| C08 | C07 | N06 | H69 | 19.2° | 36.1° |
| C93 | C92 | C90 | H67 | 180.0° | 179.9° |
| C93 | C92 | C90 | C81 | 0.9° | 0.0° |
| C93 | C92 | C90 | CL91 | 179.7° | 180.0° |
| C75 | C73 | F74 | C10 | 180.0° | 180.0° |
| C75 | C73 | C10 | C09 | 0.3° | 0.0° |
| C75 | C73 | C10 | C11 | 179.7° | 180.0° |
| C08 | C09 | C10 | C73 | 0.4° | 0.0° |
| C08 | C09 | C10 | H31 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.5° | 180.0° |
| C80 | C81 | C90 | C92 | 0.6° | 0.0° |
| C80 | C81 | C90 | N82 | 179.1° | 180.0° |
| C80 | C81 | C90 | CL91 | 179.4° | 180.0° |
| C80 | C81 | N82 | S83 | 44.1° | 35.4° |
| C80 | C81 | N82 | H76 | 77.9° | 144.6° |
| C92 | C90 | C81 | CL91 | 178.8° | 180.0° |
| C92 | C90 | C81 | N82 | 179.7° | 180.0° |
| C90 | C92 | C93 | H68 | 179.3° | 180.0° |
| F74 | C73 | C10 | C09 | 179.7° | 180.0° |
| F74 | C73 | C10 | C11 | 0.3° | 0.0° |
| F74 | C73 | C75 | H56 | 0.2° | 0.0° |
| C73 | C10 | C09 | C11 | 180.0° | 180.0° |
| C73 | C10 | C11 | O12 | 129.2° | 0.0° |
| C73 | C10 | C11 | N13 | 52.8° | 180.0° |
| C73 | C10 | C09 | H31 | 179.5° | 180.0° |
| C10 | C73 | C75 | H56 | 179.7° | 180.0° |
| C09 | C10 | C11 | O12 | 50.8° | 180.0° |
| C09 | C10 | C11 | N13 | 127.2° | 0.0° |
| C10 | C09 | C08 | H30 | 179.4° | 180.0° |
| C90 | C81 | N82 | S83 | 136.8° | 144.6° |
| C90 | C81 | C80 | H57 | 180.0° | 180.0° |
| C81 | C90 | C92 | H67 | 179.1° | 179.9° |
| C90 | C81 | N82 | H76 | 101.2° | 35.4° |
| N82 | C81 | C90 | CL91 | 1.6° | 0.0° |
| C81 | N82 | S83 | O85 | 35.5° | 178.3° |
| C81 | N82 | S83 | H76 | 122.0° | 180.0° |
| C81 | N82 | S83 | O84 | 152.0° | 50.4° |
| C81 | N82 | S83 | C86 | 90.3° | 65.6° |
| N82 | C81 | C80 | H57 | 1.0° | 0.0° |
| C10 | C11 | O12 | N13 | 178.0° | 180.0° |
| C10 | C11 | N13 | C14 | 179.8° | 180.0° |
| C11 | C10 | C09 | H31 | 0.5° | 0.0° |
| C10 | C11 | N13 | H70 | 0.2° | 0.0° |
| CL91 | C90 | C92 | H67 | 0.3° | 0.1° |
| O85 | S83 | N82 | O84 | 116.5° | 127.8° |
| O85 | S83 | N82 | C86 | 125.8° | 116.1° |
| O85 | S83 | O84 | C86 | 118.0° | 131.5° |
| O85 | S83 | C86 | C88 | 68.5° | 68.3° |
| O85 | S83 | C86 | C89 | 50.2° | 51.7° |
| O85 | S83 | C86 | C87 | 170.0° | 171.6° |
| O85 | S83 | N82 | H76 | 86.5° | 1.7° |
| N82 | S83 | O84 | C86 | 120.7° | 111.7° |
| N82 | S83 | C86 | C88 | 58.0° | 180.0° |
| N82 | S83 | C86 | C89 | 176.7° | 60.0° |
| N82 | S83 | C86 | C87 | 63.5° | 60.0° |
| O12 | C11 | N13 | C14 | 1.8° | 0.0° |
| O12 | C11 | N13 | H70 | 178.2° | 180.0° |
| C11 | N13 | C14 | H70 | 180.0° | 180.0° |
| C11 | N13 | C14 | C19 | 94.0° | 84.9° |
| C11 | N13 | C14 | C15 | 135.3° | 155.0° |
| C11 | N13 | C14 | H1 | 20.0° | 35.1° |
| O84 | S83 | C86 | C88 | 177.7° | 68.4° |
| O84 | S83 | C86 | C89 | 63.7° | 171.6° |
| O84 | S83 | C86 | C87 | 56.2° | 51.7° |
| O84 | S83 | N82 | H76 | 30.0° | 129.5° |
| S83 | C86 | C88 | C89 | 118.7° | 120.0° |
| S83 | C86 | C88 | C87 | 119.3° | 120.0° |
| S83 | C86 | C89 | C87 | 119.3° | 120.0° |
| S83 | C86 | C87 | H58 | 180.0° | 180.0° |
| S83 | C86 | C87 | H59 | 60.0° | 60.0° |
| S83 | C86 | C87 | H60 | 60.0° | 60.0° |
| S83 | C86 | C88 | H61 | 180.0° | 60.0° |
| S83 | C86 | C88 | H62 | 60.0° | 60.0° |
| S83 | C86 | C88 | H63 | 60.0° | 180.0° |
| S83 | C86 | C89 | H64 | 180.0° | 59.9° |
| S83 | C86 | C89 | H65 | 60.0° | 60.1° |
| S83 | C86 | C89 | H66 | 60.0° | 180.0° |
| C86 | S83 | N82 | H76 | 147.8° | 114.4° |
| C88 | C86 | C89 | C87 | 123.5° | 120.0° |
| C88 | C86 | C87 | H58 | 61.6° | 60.0° |
| C88 | C86 | C87 | H59 | 178.4° | 60.0° |
| C88 | C86 | C87 | H60 | 58.4° | 180.0° |
| C86 | C88 | H61 | H62 | 120.0° | 120.0° |
| C86 | C88 | H61 | H63 | 120.0° | 120.0° |
| C86 | C88 | H62 | H63 | 120.0° | 120.0° |
| C88 | C86 | C89 | H64 | 62.8° | 179.9° |
| C88 | C86 | C89 | H65 | 57.3° | 59.9° |
| C88 | C86 | C89 | H66 | 177.3° | 60.0° |
| N13 | C14 | C19 | C15 | 127.0° | 120.0° |
| N13 | C14 | C19 | H1 | 112.8° | 120.0° |
| N13 | C14 | C19 | C18 | 160.3° | 178.6° |
| N13 | C14 | C15 | H1 | 114.3° | 119.9° |
| N13 | C14 | C15 | C16 | 161.8° | 178.6° |
| N13 | C14 | C15 | H2 | 41.1° | 61.5° |
| N13 | C14 | C15 | H3 | 77.6° | 58.6° |
| N13 | C14 | C19 | H6 | 78.9° | 58.6° |
| N13 | C14 | C19 | H7 | 39.5° | 61.4° |
| O32 | C31 | C30 | N33 | 178.6° | 179.9° |
| O32 | C31 | C30 | O29 | 68.4° | 0.1° |
| O32 | C31 | N33 | C34 | 0.4° | 0.1° |
| O32 | C31 | N33 | C38 | 179.6° | 179.9° |
| O32 | C31 | C30 | H14 | 171.1° | 120.0° |
| O32 | C31 | C30 | H15 | 52.0° | 120.0° |
| C89 | C86 | C87 | H58 | 60.2° | 60.0° |
| C89 | C86 | C87 | H59 | 59.8° | 180.0° |
| C89 | C86 | C87 | H60 | 179.8° | 60.0° |
| C89 | C86 | C88 | H61 | 61.2° | 60.0° |
| C89 | C86 | C88 | H62 | 178.7° | 180.0° |
| C89 | C86 | C88 | H63 | 58.7° | 60.0° |
| C86 | C89 | H64 | H65 | 120.0° | 120.0° |
| C86 | C89 | H64 | H66 | 120.0° | 120.0° |
| C86 | C89 | H65 | H66 | 120.0° | 119.9° |
| C86 | C87 | H58 | H59 | 120.0° | 120.0° |
| C86 | C87 | H58 | H60 | 120.0° | 120.0° |
| C86 | C87 | H59 | H60 | 120.0° | 120.0° |
| C87 | C86 | C88 | H61 | 60.7° | 180.0° |
| C87 | C86 | C88 | H62 | 59.3° | 60.0° |
| C87 | C86 | C88 | H63 | 179.3° | 60.0° |
| C87 | C86 | C89 | H64 | 60.7° | 60.0° |
| C87 | C86 | C89 | H65 | 179.3° | 180.0° |
| C87 | C86 | C89 | H66 | 59.3° | 60.0° |
| O29 | C28 | C27 | H36 | 119.9° | 120.0° |
| O29 | C28 | C27 | H37 | 120.0° | 120.0° |
| C28 | O29 | C30 | C31 | 141.1° | 180.0° |
| O29 | C28 | C27 | O26 | 110.2° | 65.0° |
| O29 | C28 | C27 | H12 | 129.8° | 55.0° |
| O29 | C28 | C27 | H13 | 9.9° | 175.0° |
| C28 | O29 | C30 | H14 | 98.5° | 60.0° |
| C28 | O29 | C30 | H15 | 20.6° | 60.0° |
| O29 | C28 | H36 | H37 | 120.2° | 120.0° |
| C27 | C28 | O29 | C30 | 109.6° | 180.0° |
| C28 | C27 | O26 | H12 | 120.1° | 120.0° |
| C28 | C27 | O26 | H13 | 120.1° | 120.0° |
| C28 | C27 | O26 | C25 | 164.3° | 180.0° |
| C28 | C27 | H12 | H13 | 119.8° | 120.0° |
| C27 | C28 | H36 | H37 | 120.2° | 120.0° |
| C31 | C30 | O29 | H14 | 120.5° | 120.0° |
| C31 | C30 | O29 | H15 | 120.5° | 120.0° |
| C30 | C31 | N33 | C34 | 179.1° | 180.0° |
| C30 | C31 | N33 | C38 | 0.9° | 0.0° |
| C31 | C30 | H14 | H15 | 118.6° | 120.0° |
| N33 | C31 | C30 | O29 | 112.9° | 180.0° |
| C31 | N33 | C34 | C38 | 180.0° | 180.0° |
| C31 | N33 | C34 | C35 | 132.7° | 126.4° |
| C31 | N33 | C38 | C37 | 150.2° | 126.4° |
| N33 | C31 | C30 | H14 | 7.5° | 60.0° |
| N33 | C31 | C30 | H15 | 126.6° | 60.0° |
| C31 | N33 | C34 | H16 | 106.5° | 113.8° |
| C31 | N33 | C34 | H17 | 11.9° | 6.7° |
| C31 | N33 | C38 | H23 | 29.7° | 6.6° |
| C31 | N33 | C38 | H24 | 89.3° | 113.7° |
| C14 | C19 | C18 | H6 | 120.8° | 119.9° |
| C14 | C19 | C18 | H7 | 120.8° | 119.9° |
| C19 | C14 | C15 | H1 | 120.3° | 120.0° |
| C19 | C14 | C15 | C16 | 36.4° | 61.3° |
| C14 | C19 | C18 | N17 | 53.6° | 54.6° |
| C19 | C14 | C15 | H2 | 84.3° | 58.6° |
| C19 | C14 | C15 | H3 | 157.0° | 178.7° |
| C14 | C19 | H6 | H7 | 117.6° | 120.0° |
| C14 | C19 | C18 | H32 | 67.3° | 65.1° |
| C14 | C19 | C18 | H33 | 174.4° | 174.4° |
| C19 | C14 | N13 | H70 | 86.1° | 95.0° |
| C18 | C19 | C14 | C15 | 33.3° | 61.4° |
| C19 | C18 | N17 | H32 | 120.9° | 119.9° |
| C19 | C18 | N17 | H33 | 120.8° | 119.8° |
| C19 | C18 | N17 | C16 | 64.5° | 53.6° |
| C19 | C18 | N17 | C20 | 115.9° | 126.3° |
| C18 | C19 | C14 | H1 | 86.9° | 58.6° |
| C18 | C19 | H6 | H7 | 117.6° | 120.1° |
| C19 | C18 | H32 | H33 | 117.3° | 120.4° |
| C14 | C15 | C16 | H2 | 120.6° | 119.9° |
| C14 | C15 | C16 | H3 | 120.6° | 120.0° |
| C14 | C15 | C16 | N17 | 60.1° | 54.6° |
| C14 | C15 | H2 | H3 | 118.1° | 120.1° |
| C14 | C15 | C16 | H4 | 179.4° | 174.4° |
| C14 | C15 | C16 | H5 | 60.5° | 65.2° |
| C15 | C14 | C19 | H6 | 154.0° | 178.7° |
| C15 | C14 | C19 | H7 | 87.5° | 58.6° |
| C15 | C14 | N13 | H70 | 44.7° | 25.1° |
| O29 | C30 | H14 | H15 | 118.6° | 120.0° |
| C30 | O29 | C28 | H36 | 10.3° | 60.0° |
| C30 | O29 | C28 | H37 | 130.4° | 60.0° |
| N33 | C34 | C35 | H16 | 120.8° | 119.8° |
| N33 | C34 | C35 | H17 | 120.8° | 119.8° |
| N33 | C34 | C35 | C36 | 6.6° | 54.6° |
| C34 | N33 | C38 | C37 | 29.8° | 53.6° |
| N33 | C34 | H16 | H17 | 117.6° | 120.4° |
| N33 | C34 | C35 | H18 | 126.7° | 65.4° |
| N33 | C34 | C35 | H19 | 113.5° | 174.6° |
| C34 | N33 | C38 | H23 | 150.3° | 173.4° |
| C34 | N33 | C38 | H24 | 90.7° | 66.3° |
| C35 | C34 | N33 | C38 | 47.3° | 53.6° |
| C34 | C35 | C36 | H18 | 120.1° | 120.0° |
| C34 | C35 | C36 | H19 | 120.1° | 120.0° |
| C34 | C35 | C36 | N39 | 170.7° | 178.6° |
| C34 | C35 | C36 | C37 | 50.2° | 61.3° |
| C35 | C34 | H16 | H17 | 117.6° | 120.3° |
| C34 | C35 | H18 | H19 | 119.7° | 120.1° |
| C34 | C35 | C36 | H20 | 68.0° | 58.6° |
| N33 | C38 | C37 | C36 | 26.1° | 54.6° |
| N33 | C38 | C37 | H23 | 120.5° | 119.8° |
| N33 | C38 | C37 | H24 | 120.5° | 119.9° |
| C38 | N33 | C34 | H16 | 73.5° | 66.2° |
| C38 | N33 | C34 | H17 | 168.0° | 173.3° |
| N33 | C38 | C37 | H21 | 94.1° | 65.3° |
| N33 | C38 | C37 | H22 | 146.3° | 174.6° |
| N33 | C38 | H23 | H24 | 118.4° | 120.4° |
| C27 | O26 | C25 | C24 | 149.1° | 180.0° |
| C27 | O26 | C25 | H10 | 29.1° | 60.0° |
| C27 | O26 | C25 | H11 | 90.9° | 60.0° |
| O26 | C27 | H12 | H13 | 119.8° | 120.0° |
| O26 | C27 | C28 | H36 | 9.8° | 175.0° |
| O26 | C27 | C28 | H37 | 129.9° | 55.0° |
| C35 | C36 | N39 | C37 | 123.1° | 120.1° |
| C35 | C36 | N39 | H20 | 121.3° | 119.9° |
| C35 | C36 | C37 | H20 | 118.0° | 120.0° |
| C35 | C36 | C37 | C38 | 69.0° | 61.3° |
| C35 | C36 | N39 | C40 | 36.8° | 155.0° |
| C36 | C35 | C34 | H16 | 114.2° | 65.2° |
| C36 | C35 | C34 | H17 | 127.3° | 174.4° |
| C36 | C35 | H18 | H19 | 119.7° | 120.1° |
| C35 | C36 | C37 | H21 | 51.2° | 58.6° |
| C35 | C36 | C37 | H22 | 170.8° | 178.7° |
| C35 | C36 | N39 | H71 | 143.2° | 25.1° |
| O26 | C25 | C24 | H10 | 120.0° | 120.0° |
| O26 | C25 | C24 | H11 | 120.0° | 119.9° |
| O26 | C25 | C24 | O23 | 169.5° | 65.0° |
| O26 | C25 | C24 | H8 | 70.5° | 55.1° |
| O26 | C25 | C24 | H9 | 49.5° | 175.0° |
| O26 | C25 | H10 | H11 | 120.1° | 120.0° |
| C25 | O26 | C27 | H12 | 75.6° | 60.0° |
| C25 | O26 | C27 | H13 | 44.2° | 60.0° |
| C15 | C16 | N17 | C18 | 67.2° | 53.6° |
| C15 | C16 | N17 | H4 | 120.6° | 119.9° |
| C15 | C16 | N17 | H5 | 120.6° | 119.7° |
| C15 | C16 | N17 | C20 | 113.2° | 126.4° |
| C16 | C15 | C14 | H1 | 83.9° | 58.7° |
| C16 | C15 | H2 | H3 | 118.1° | 120.1° |
| C15 | C16 | H4 | H5 | 118.3° | 120.3° |
| C18 | N17 | C16 | C20 | 179.6° | 179.9° |
| C18 | N17 | C20 | C22 | 0.8° | 0.1° |
| C18 | N17 | C20 | O21 | 179.7° | 180.0° |
| C18 | N17 | C16 | H4 | 172.2° | 173.4° |
| C18 | N17 | C16 | H5 | 53.4° | 66.2° |
| N17 | C18 | C19 | H6 | 174.3° | 174.6° |
| N17 | C18 | C19 | H7 | 67.2° | 65.3° |
| N17 | C18 | H32 | H33 | 117.3° | 120.3° |
| CL55 | C54 | C53 | C56 | 179.7° | 179.9° |
| CL55 | C54 | C53 | C52 | 179.7° | 180.0° |
| CL55 | C54 | C56 | N57 | 0.5° | 0.0° |
| CL55 | C54 | C56 | C65 | 179.1° | 180.0° |
| CL55 | C54 | C53 | H40 | 0.3° | 0.1° |
| N39 | C36 | C37 | H20 | 115.5° | 120.0° |
| N39 | C36 | C37 | C38 | 164.5° | 178.6° |
| C36 | N39 | C40 | H71 | 180.0° | 179.9° |
| C36 | N39 | C40 | O41 | 2.5° | 0.0° |
| C36 | N39 | C40 | C42 | 178.1° | 180.0° |
| N39 | C36 | C35 | H18 | 50.6° | 61.4° |
| N39 | C36 | C35 | H19 | 69.2° | 58.6° |
| N39 | C36 | C37 | H21 | 75.3° | 61.5° |
| N39 | C36 | C37 | H22 | 44.2° | 58.6° |
| C36 | C37 | C38 | H21 | 120.2° | 119.9° |
| C36 | C37 | C38 | H22 | 120.2° | 120.0° |
| C37 | C36 | N39 | C40 | 86.2° | 84.9° |
| C37 | C36 | C35 | H18 | 69.9° | 58.6° |
| C37 | C36 | C35 | H19 | 170.3° | 178.6° |
| C36 | C37 | H21 | H22 | 119.3° | 120.1° |
| C36 | C37 | C38 | H23 | 94.4° | 174.4° |
| C36 | C37 | C38 | H24 | 146.6° | 65.3° |
| C37 | C36 | N39 | H71 | 93.8° | 95.0° |
| C38 | C37 | C36 | H20 | 49.0° | 58.6° |
| C38 | C37 | H21 | H22 | 119.4° | 120.1° |
| C37 | C38 | H23 | H24 | 118.4° | 120.3° |
| C25 | C24 | O23 | H8 | 120.0° | 120.0° |
| C25 | C24 | O23 | H9 | 120.0° | 120.0° |
| C25 | C24 | O23 | C22 | 158.9° | 180.0° |
| C25 | C24 | H8 | H9 | 120.0° | 119.9° |
| C24 | C25 | H10 | H11 | 120.1° | 120.0° |
| C24 | O23 | C22 | C20 | 88.3° | 180.0° |
| O23 | C24 | H8 | H9 | 120.0° | 120.0° |
| O23 | C24 | C25 | H10 | 49.5° | 175.0° |
| O23 | C24 | C25 | H11 | 70.5° | 55.0° |
| C24 | O23 | C22 | H34 | 151.9° | 60.0° |
| C24 | O23 | C22 | H35 | 31.5° | 60.0° |
| N39 | C40 | O41 | C42 | 175.7° | 180.0° |
| N39 | C40 | C42 | C71 | 16.9° | 180.0° |
| N39 | C40 | C42 | C43 | 166.7° | 0.3° |
| C40 | N39 | C36 | H20 | 158.1° | 35.1° |
| C16 | N17 | C20 | C22 | 179.7° | 180.0° |
| C16 | N17 | C20 | O21 | 0.3° | 0.0° |
| N17 | C16 | C15 | H2 | 60.5° | 65.3° |
| N17 | C16 | C15 | H3 | 179.3° | 174.6° |
| N17 | C16 | H4 | H5 | 118.2° | 120.3° |
| C16 | N17 | C18 | H32 | 56.3° | 66.3° |
| C16 | N17 | C18 | H33 | 174.6° | 173.4° |
| N17 | C20 | C22 | O21 | 179.4° | 180.0° |
| N17 | C20 | C22 | O23 | 143.1° | 180.0° |
| C20 | N17 | C16 | H4 | 7.4° | 6.5° |
| C20 | N17 | C16 | H5 | 126.3° | 113.9° |
| C20 | N17 | C18 | H32 | 123.3° | 113.8° |
| C20 | N17 | C18 | H33 | 5.0° | 6.5° |
| N17 | C20 | C22 | H34 | 97.2° | 60.0° |
| N17 | C20 | C22 | H35 | 23.3° | 59.9° |
| C54 | C53 | C52 | H40 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 0.1° | 0.0° |
| C53 | C54 | C56 | N57 | 179.2° | 180.0° |
| C53 | C54 | C56 | C65 | 0.6° | 0.1° |
| C54 | C53 | C52 | H39 | 179.9° | 180.0° |
| C52 | C53 | C54 | C56 | 0.0° | 0.0° |
| C53 | C52 | C51 | H39 | 180.0° | 180.0° |
| C53 | C52 | C51 | C65 | 0.8° | 0.0° |
| C53 | C52 | C51 | N50 | 178.7° | 179.7° |
| C54 | C56 | N57 | C65 | 178.6° | 180.0° |
| C54 | C56 | N57 | S58 | 160.7° | 143.9° |
| C54 | C56 | C65 | C51 | 1.2° | 0.0° |
| C56 | C54 | C53 | H40 | 180.0° | 180.0° |
| C54 | C56 | C65 | H50 | 178.8° | 179.8° |
| C54 | C56 | N57 | H74 | 77.4° | 36.1° |
| O41 | C40 | C42 | C71 | 159.0° | 0.0° |
| O41 | C40 | C42 | C43 | 17.3° | 179.7° |
| O41 | C40 | N39 | H71 | 177.5° | 179.9° |
| C40 | C42 | C71 | F72 | 2.6° | 0.0° |
| C40 | C42 | C71 | C43 | 176.0° | 179.7° |
| C40 | C42 | C71 | C70 | 177.6° | 179.7° |
| C40 | C42 | C43 | C44 | 178.1° | 180.0° |
| C40 | C42 | C43 | H25 | 1.9° | 0.0° |
| C42 | C40 | N39 | H71 | 1.9° | 0.1° |
| C20 | C22 | O23 | H34 | 119.8° | 120.0° |
| C20 | C22 | O23 | H35 | 119.8° | 120.0° |
| C20 | C22 | H34 | H35 | 120.7° | 119.9° |
| O23 | C22 | C20 | O21 | 36.4° | 0.0° |
| C22 | O23 | C24 | H8 | 81.1° | 60.0° |
| C22 | O23 | C24 | H9 | 38.9° | 60.0° |
| O23 | C22 | H34 | H35 | 120.6° | 120.1° |
| O21 | C20 | C22 | H34 | 83.4° | 120.0° |
| O21 | C20 | C22 | H35 | 156.1° | 120.1° |
| F72 | C71 | C42 | C70 | 179.8° | 179.8° |
| F72 | C71 | C42 | C43 | 178.6° | 179.7° |
| F72 | C71 | C70 | C45 | 179.2° | 179.7° |
| F72 | C71 | C70 | H55 | 0.8° | 0.1° |
| C71 | C42 | C43 | C44 | 1.7° | 0.3° |
| C42 | C71 | C70 | C45 | 1.0° | 0.5° |
| C71 | C42 | C43 | H25 | 178.3° | 179.8° |
| C42 | C71 | C70 | H55 | 179.0° | 179.7° |
| C43 | C42 | C71 | C70 | 1.6° | 0.5° |
| C42 | C43 | C44 | H25 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 1.3° | 0.0° |
| C42 | C43 | C44 | H38 | 178.7° | 180.0° |
| C52 | C51 | C65 | C56 | 1.4° | 0.0° |
| C52 | C51 | C65 | N50 | 178.0° | 179.7° |
| C52 | C51 | N50 | C49 | 32.7° | 34.1° |
| C51 | C52 | C53 | H40 | 179.9° | 180.0° |
| C52 | C51 | C65 | H50 | 178.6° | 179.8° |
| C52 | C51 | N50 | H73 | 147.2° | 146.0° |
| C71 | C70 | C45 | H55 | 180.0° | 179.8° |
| C71 | C70 | C45 | C44 | 0.7° | 0.3° |
| C71 | C70 | C45 | N46 | 179.3° | 179.8° |
| C56 | N57 | S58 | H74 | 121.9° | 180.0° |
| N57 | C56 | C65 | C51 | 179.7° | 180.0° |
| C56 | N57 | S58 | O60 | 139.1° | 179.3° |
| C56 | N57 | S58 | C61 | 101.5° | 64.7° |
| C56 | N57 | S58 | O59 | 22.7° | 51.4° |
| N57 | C56 | C65 | H50 | 0.2° | 0.2° |
| S58 | N57 | C56 | C65 | 20.7° | 36.1° |
| N57 | S58 | C61 | C63 | 48.5° | 180.0° |
| N57 | S58 | O60 | C61 | 119.1° | 111.7° |
| N57 | S58 | O60 | O59 | 121.3° | 116.8° |
| N57 | S58 | C61 | O59 | 125.4° | 111.6° |
| N57 | S58 | C61 | C64 | 73.5° | 60.0° |
| N57 | S58 | C61 | C62 | 166.6° | 60.0° |
| C56 | C65 | C51 | H50 | 180.0° | 179.8° |
| C56 | C65 | C51 | N50 | 179.3° | 179.7° |
| C65 | C56 | N57 | H74 | 101.1° | 143.9° |
| C43 | C44 | C45 | C70 | 0.9° | 0.0° |
| C43 | C44 | C45 | H38 | 180.0° | 180.0° |
| C43 | C44 | C45 | N46 | 179.1° | 180.0° |
| C63 | C61 | S58 | O60 | 69.9° | 68.4° |
| C63 | C61 | S58 | C64 | 122.0° | 120.0° |
| C63 | C61 | S58 | C62 | 118.1° | 120.0° |
| C63 | C61 | S58 | O59 | 173.9° | 68.3° |
| C63 | C61 | C64 | C62 | 121.8° | 120.1° |
| C63 | C61 | C62 | H41 | 180.0° | 60.0° |
| C63 | C61 | C62 | H42 | 60.0° | 60.0° |
| C63 | C61 | C62 | H43 | 60.0° | 180.0° |
| C61 | C63 | H44 | H45 | 120.0° | 120.1° |
| C61 | C63 | H44 | H46 | 120.0° | 120.0° |
| C61 | C63 | H45 | H46 | 120.0° | 119.9° |
| C63 | C61 | C64 | H47 | 180.0° | 180.0° |
| C63 | C61 | C64 | H48 | 60.0° | 59.9° |
| C63 | C61 | C64 | H49 | 60.0° | 60.0° |
| C70 | C45 | C44 | N46 | 179.9° | 179.9° |
| C70 | C45 | N46 | C47 | 15.8° | 144.2° |
| C70 | C45 | C44 | H38 | 179.1° | 180.0° |
| C70 | C45 | N46 | H72 | 164.1° | 35.8° |
| C44 | C45 | N46 | C47 | 164.1° | 35.9° |
| C45 | C44 | C43 | H25 | 178.6° | 180.0° |
| C44 | C45 | C70 | H55 | 179.4° | 179.9° |
| C44 | C45 | N46 | H72 | 15.9° | 144.1° |
| C45 | N46 | C47 | H72 | 180.0° | 180.0° |
| C45 | N46 | C47 | N48 | 33.0° | 177.3° |
| C45 | N46 | C47 | N69 | 148.6° | 2.9° |
| N46 | C45 | C44 | H38 | 0.9° | 0.1° |
| N46 | C45 | C70 | H55 | 0.7° | 0.0° |
| C65 | C51 | N50 | C49 | 149.2° | 146.2° |
| C65 | C51 | C52 | H39 | 179.2° | 180.0° |
| C65 | C51 | N50 | H73 | 30.8° | 33.8° |
| C51 | N50 | C49 | N48 | 3.5° | 5.0° |
| C51 | N50 | C49 | H73 | 180.0° | 180.0° |
| C51 | N50 | C49 | C66 | 176.6° | 174.7° |
| N50 | C51 | C52 | H39 | 1.3° | 0.3° |
| N50 | C51 | C65 | H50 | 0.6° | 0.0° |
| O60 | S58 | C61 | O59 | 116.2° | 136.7° |
| O60 | S58 | C61 | C64 | 168.1° | 51.7° |
| O60 | S58 | C61 | C62 | 48.2° | 171.6° |
| O60 | S58 | N57 | H74 | 99.0° | 0.7° |
| S58 | C61 | C64 | C62 | 118.2° | 119.9° |
| S58 | C61 | C62 | H41 | 63.2° | 180.0° |
| S58 | C61 | C62 | H42 | 176.8° | 60.0° |
| S58 | C61 | C62 | H43 | 56.8° | 60.0° |
| S58 | C61 | C63 | H44 | 180.0° | 60.1° |
| S58 | C61 | C63 | H45 | 60.0° | 60.0° |
| S58 | C61 | C63 | H46 | 60.0° | 179.9° |
| S58 | C61 | C64 | H47 | 60.0° | 60.0° |
| S58 | C61 | C64 | H48 | 60.0° | 60.0° |
| S58 | C61 | C64 | H49 | 180.0° | 180.0° |
| C61 | S58 | N57 | H74 | 20.4° | 115.3° |
| O59 | S58 | C61 | C64 | 51.9° | 171.6° |
| O59 | S58 | C61 | C62 | 68.1° | 51.6° |
| O59 | S58 | N57 | H74 | 144.6° | 128.6° |
| N46 | C47 | N48 | N69 | 178.3° | 179.8° |
| N46 | C47 | N48 | C49 | 178.3° | 179.7° |
| N46 | C47 | N69 | C68 | 178.3° | 180.0° |
| C64 | C61 | C62 | H41 | 57.3° | 60.0° |
| C64 | C61 | C62 | H42 | 62.7° | 180.0° |
| C64 | C61 | C62 | H43 | 177.3° | 59.9° |
| C64 | C61 | C63 | H44 | 58.2° | 59.9° |
| C64 | C61 | C63 | H45 | 61.8° | 180.0° |
| C64 | C61 | C63 | H46 | 178.2° | 60.0° |
| C61 | C64 | H47 | H48 | 120.0° | 120.0° |
| C61 | C64 | H47 | H49 | 120.0° | 120.0° |
| C61 | C64 | H48 | H49 | 120.0° | 120.0° |
| C61 | C62 | H41 | H42 | 120.0° | 120.0° |
| C61 | C62 | H41 | H43 | 120.0° | 120.0° |
| C61 | C62 | H42 | H43 | 120.0° | 120.0° |
| C62 | C61 | C63 | H44 | 63.7° | 180.0° |
| C62 | C61 | C63 | H45 | 176.3° | 59.9° |
| C62 | C61 | C63 | H46 | 56.3° | 60.0° |
| C62 | C61 | C64 | H47 | 58.2° | 60.0° |
| C62 | C61 | C64 | H48 | 178.2° | 180.0° |
| C62 | C61 | C64 | H49 | 61.8° | 60.1° |
| C47 | N48 | C49 | N50 | 179.9° | 179.7° |
| C47 | N48 | C49 | C66 | 0.0° | 0.0° |
| N48 | C47 | N69 | C68 | 0.0° | 0.3° |
| N48 | C47 | N46 | H72 | 147.0° | 2.7° |
| N48 | C49 | N50 | C66 | 179.9° | 179.7° |
| C49 | N48 | C47 | N69 | 0.1° | 0.0° |
| N48 | C49 | C66 | C68 | 0.2° | 0.2° |
| N48 | C49 | C66 | C67 | 179.8° | 180.0° |
| N48 | C49 | N50 | H73 | 176.5° | 175.0° |
| N50 | C49 | C66 | C68 | 179.9° | 180.0° |
| N50 | C49 | C66 | C67 | 0.3° | 0.2° |
| C47 | N69 | C68 | C66 | 0.2° | 0.5° |
| C47 | N69 | C68 | H54 | 179.7° | 180.0° |
| N69 | C47 | N46 | H72 | 31.4° | 177.1° |
| C49 | C66 | C68 | N69 | 0.3° | 0.5° |
| C49 | C66 | C68 | C67 | 179.6° | 179.8° |
| C49 | C66 | C67 | H51 | 90.2° | 90.0° |
| C49 | C66 | C67 | H52 | 149.8° | 150.0° |
| C49 | C66 | C67 | H53 | 29.8° | 30.1° |
| C49 | C66 | C68 | H54 | 179.7° | 180.0° |
| C66 | C49 | N50 | H73 | 3.4° | 5.3° |
| N69 | C68 | C66 | H54 | 180.0° | 179.5° |
| N69 | C68 | C66 | C67 | 179.9° | 179.7° |
| C68 | C66 | C67 | H51 | 90.2° | 90.2° |
| C68 | C66 | C67 | H52 | 29.8° | 29.8° |
| C68 | C66 | C67 | H53 | 149.8° | 149.7° |
| C66 | C67 | H51 | H52 | 120.0° | 120.0° |
| C66 | C67 | H51 | H53 | 120.0° | 120.0° |
| C66 | C67 | H52 | H53 | 120.0° | 120.0° |
| C67 | C66 | C68 | H54 | 0.1° | 0.2° |
| H1 | C14 | C15 | H2 | 155.5° | 178.6° |
| H1 | C14 | C15 | H3 | 36.7° | 61.3° |
| H1 | C14 | C19 | H6 | 33.8° | 61.4° |
| H1 | C14 | C19 | H7 | 152.3° | 178.6° |
| H1 | C14 | N13 | H70 | 160.0° | 145.0° |
| H2 | C15 | C16 | H4 | 60.0° | 54.5° |
| H2 | C15 | C16 | H5 | 178.9° | 174.9° |
| H3 | C15 | C16 | H4 | 58.7° | 65.6° |
| H3 | C15 | C16 | H5 | 60.2° | 54.8° |
| H6 | C19 | C18 | H32 | 53.5° | 54.8° |
| H6 | C19 | C18 | H33 | 64.8° | 65.6° |
| H7 | C19 | C18 | H32 | 171.9° | 174.9° |
| H7 | C19 | C18 | H33 | 53.6° | 54.5° |
| H8 | C24 | C25 | H10 | 169.5° | 65.0° |
| H8 | C24 | C25 | H11 | 49.4° | 175.0° |
| H9 | C24 | C25 | H10 | 70.5° | 55.0° |
| H9 | C24 | C25 | H11 | 169.5° | 65.1° |
| H12 | C27 | C28 | H36 | 110.3° | 65.0° |
| H12 | C27 | C28 | H37 | 9.8° | 175.0° |
| H13 | C27 | C28 | H36 | 129.9° | 55.0° |
| H13 | C27 | C28 | H37 | 110.0° | 65.0° |
| H16 | C34 | C35 | H18 | 5.9° | 174.8° |
| H16 | C34 | C35 | H19 | 125.7° | 54.8° |
| H17 | C34 | C35 | H18 | 112.5° | 54.4° |
| H17 | C34 | C35 | H19 | 7.2° | 65.6° |
| H18 | C35 | C36 | H20 | 171.9° | 178.6° |
| H19 | C35 | C36 | H20 | 52.1° | 61.4° |
| H20 | C36 | C37 | H21 | 169.2° | 178.5° |
| H20 | C36 | C37 | H22 | 71.3° | 61.4° |
| H20 | C36 | N39 | H71 | 21.9° | 145.0° |
| H21 | C37 | C38 | H23 | 145.4° | 54.5° |
| H21 | C37 | C38 | H24 | 26.4° | 174.8° |
| H22 | C37 | C38 | H23 | 25.8° | 65.6° |
| H22 | C37 | C38 | H24 | 93.2° | 54.7° |
| H25 | C43 | C44 | H38 | 1.3° | 0.1° |
| H26 | C01 | H27 | H28 | 120.0° | 120.0° |
| H30 | C08 | C09 | H31 | 0.6° | 0.0° |
| H39 | C52 | C53 | H40 | 0.1° | 0.0° |
| H41 | C62 | H42 | H43 | 119.9° | 120.0° |
| H44 | C63 | H45 | H46 | 120.0° | 120.0° |
| H47 | C64 | H48 | H49 | 120.0° | 120.0° |
| H51 | C67 | H52 | H53 | 120.0° | 120.0° |
| H58 | C87 | H59 | H60 | 120.0° | 120.0° |
| H61 | C88 | H62 | H63 | 120.0° | 120.0° |
| H64 | C89 | H65 | H66 | 120.0° | 120.1° |
| H67 | C92 | C93 | H68 | 0.6° | 0.1° |
