KWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O61 | P59 | doub | 1.48Å | 1.49Å | |
| O60 | P59 | sing | 1.61Å | 1.49Å | |
| C29 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.41Å | 1.44Å | Aromatic |
| C30 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| O12 | C13 | sing | 1.43Å | 1.43Å | |
| O12 | C09 | sing | 1.43Å | 1.47Å | |
| P59 | O11 | sing | 1.61Å | 1.65Å | |
| P59 | O58 | sing | 1.60Å | 1.66Å | |
| C25 | C24 | doub | 1.40Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.42Å | 1.36Å | Aromatic |
| C31 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.54Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| O11 | C10 | sing | 1.42Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.55Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.37Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C28 | doub | 1.41Å | 1.43Å | Aromatic |
| C16 | C33 | sing | 1.47Å | 1.43Å | Aromatic |
| C13 | N14 | sing | 1.46Å | 1.45Å | |
| C13 | C40 | sing | 1.54Å | 1.48Å | |
| C09 | C08 | sing | 1.54Å | 1.46Å | |
| N14 | C34 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.41Å | 1.37Å | Aromatic |
| C33 | C38 | sing | 1.40Å | 1.43Å | Aromatic |
| C34 | N35 | sing | 1.33Å | 1.35Å | Aromatic |
| O58 | C57 | sing | 1.42Å | 1.41Å | |
| C38 | N39 | sing | 1.38Å | 1.45Å | |
| C38 | N37 | doub | 1.33Å | 1.32Å | Aromatic |
| N35 | C36 | doub | 1.32Å | 1.32Å | Aromatic |
| N37 | C36 | sing | 1.32Å | 1.33Å | Aromatic |
| C08 | C40 | sing | 1.54Å | 1.49Å | |
| C08 | O07 | sing | 1.43Å | 1.44Å | |
| C40 | O41 | sing | 1.43Å | 1.41Å | |
| O01 | C02 | sing | 1.41Å | 1.42Å | |
| N53 | C52 | sing | 1.37Å | 1.45Å | |
| C57 | C02 | sing | 1.55Å | 1.48Å | |
| C57 | C45 | sing | 1.55Å | 1.49Å | |
| C02 | C03 | sing | 1.55Å | 1.48Å | |
| C52 | N51 | sing | 1.36Å | 1.45Å | |
| C52 | N54 | doub | 1.32Å | 1.44Å | |
| N51 | C50 | sing | 1.37Å | 1.48Å | |
| O07 | P06 | sing | 1.61Å | 1.66Å | |
| N54 | C55 | sing | 1.34Å | 1.42Å | |
| C45 | N46 | sing | 1.46Å | 1.42Å | |
| C45 | O44 | sing | 1.44Å | 1.42Å | |
| C50 | N46 | sing | 1.36Å | 1.32Å | Aromatic |
| C50 | C49 | doub | 1.39Å | 1.36Å | Aromatic |
| C55 | C49 | sing | 1.47Å | 1.52Å | |
| C55 | O56 | doub | 1.22Å | 1.18Å | |
| N46 | C47 | sing | 1.36Å | 1.34Å | Aromatic |
| C49 | N48 | sing | 1.35Å | 1.34Å | Aromatic |
| C47 | N48 | doub | 1.30Å | 1.36Å | Aromatic |
| C03 | O44 | sing | 1.43Å | 1.46Å | |
| C03 | C04 | sing | 1.52Å | 1.48Å | |
| P06 | O05 | sing | 1.61Å | 1.65Å | |
| P06 | O42 | doub | 1.48Å | 1.49Å | |
| P06 | O43 | sing | 1.61Å | 1.49Å | |
| O05 | C04 | sing | 1.44Å | 1.41Å | |
| C40 | H1 | sing | 1.09Å | 1.10Å | |
| C36 | H2 | sing | 1.08Å | 1.08Å | |
| C30 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C45 | H24 | sing | 1.08Å | 1.10Å | |
| C47 | H25 | sing | 1.08Å | 1.08Å | |
| C57 | H26 | sing | 1.08Å | 1.10Å | |
| N39 | H27 | sing | 0.97Å | 1.00Å | |
| N39 | H28 | sing | 0.97Å | 1.00Å | |
| N51 | H29 | sing | 0.97Å | 1.00Å | |
| N53 | H30 | sing | 0.97Å | 1.00Å | |
| N53 | H31 | sing | 0.97Å | 1.00Å | |
| O01 | H32 | sing | 0.97Å | 0.95Å | |
| O41 | H33 | sing | 0.97Å | 0.95Å | |
| O43 | H34 | sing | 0.97Å | 0.95Å | |
| O60 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O61 | P59 | O60 | 105.0° | 109.1° |
| O61 | P59 | O11 | 103.1° | 110.2° |
| O61 | P59 | O58 | 104.3° | 110.0° |
| O60 | P59 | O11 | 114.2° | 109.2° |
| O60 | P59 | O58 | 113.9° | 108.9° |
| P59 | O60 | H35 | 109.5° | 113.9° |
| C30 | C29 | C24 | 121.0° | 120.0° |
| C29 | C30 | C21 | 119.2° | 120.9° |
| C29 | C30 | H3 | 120.4° | 119.5° |
| C30 | C29 | H21 | 119.5° | 120.0° |
| C29 | C24 | C25 | 120.7° | 121.1° |
| C29 | C24 | C23 | 119.7° | 119.6° |
| C24 | C29 | H21 | 119.5° | 120.0° |
| C30 | C21 | C20 | 120.9° | 119.7° |
| C30 | C21 | C22 | 120.0° | 120.5° |
| C21 | C30 | H3 | 120.4° | 119.6° |
| C13 | O12 | C09 | 107.8° | 110.9° |
| O12 | C13 | N14 | 113.3° | 110.1° |
| O12 | C13 | C40 | 105.5° | 107.9° |
| O12 | C13 | H16 | 110.8° | 110.2° |
| O12 | C09 | C10 | 110.4° | 110.0° |
| O12 | C09 | C08 | 103.6° | 108.2° |
| O12 | C09 | H15 | 110.5° | 109.7° |
| O11 | P59 | O58 | 114.7° | 109.4° |
| P59 | O11 | C10 | 120.6° | 125.1° |
| P59 | O58 | C57 | 116.9° | 127.0° |
| C24 | C25 | C26 | 120.3° | 119.8° |
| C25 | C24 | C23 | 119.6° | 119.3° |
| C24 | C25 | H4 | 119.8° | 120.1° |
| C25 | C26 | C27 | 120.2° | 120.9° |
| C26 | C25 | H4 | 119.9° | 120.1° |
| C25 | C26 | H5 | 119.9° | 119.5° |
| C24 | C23 | C22 | 119.4° | 119.5° |
| C24 | C23 | C28 | 120.1° | 119.4° |
| C20 | C31 | C32 | 119.1° | 120.0° |
| C31 | C20 | C21 | 121.3° | 120.0° |
| C31 | C20 | C19 | 120.5° | 120.0° |
| C20 | C31 | H22 | 120.4° | 120.0° |
| C31 | C32 | C17 | 120.6° | 120.0° |
| C32 | C31 | H22 | 120.4° | 120.0° |
| C31 | C32 | H23 | 119.7° | 120.0° |
| C20 | C21 | C22 | 119.0° | 119.7° |
| C21 | C20 | C19 | 118.2° | 120.0° |
| C21 | C22 | C23 | 120.7° | 119.5° |
| C21 | C22 | H20 | 119.7° | 120.3° |
| O11 | C10 | C09 | 108.4° | 109.3° |
| O11 | C10 | H8 | 109.7° | 110.5° |
| O11 | C10 | H9 | 109.7° | 109.2° |
| C10 | C09 | C08 | 111.6° | 110.6° |
| C09 | C10 | H8 | 109.7° | 109.3° |
| C09 | C10 | H9 | 109.8° | 109.2° |
| C10 | C09 | H15 | 110.0° | 108.9° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C32 | C17 | C18 | 119.7° | 120.0° |
| C32 | C17 | C16 | 122.9° | 119.9° |
| C17 | C32 | H23 | 119.7° | 120.0° |
| C26 | C27 | C28 | 119.5° | 121.0° |
| C27 | C26 | H5 | 119.9° | 119.5° |
| C26 | C27 | H7 | 120.3° | 119.5° |
| C18 | C17 | C16 | 117.4° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C17 | C16 | C15 | 123.3° | 126.8° |
| C17 | C16 | C33 | 128.9° | 126.8° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C16 | C15 | N14 | 108.2° | 109.6° |
| C15 | C16 | C33 | 107.8° | 106.5° |
| C16 | C15 | H17 | 125.9° | 125.2° |
| C15 | N14 | C13 | 126.5° | 124.9° |
| C15 | N14 | C34 | 109.1° | 110.3° |
| N14 | C15 | H17 | 125.9° | 125.2° |
| C22 | C23 | C28 | 120.5° | 121.1° |
| C23 | C22 | H20 | 119.7° | 120.3° |
| C23 | C28 | C27 | 120.3° | 119.7° |
| C23 | C28 | H6 | 119.9° | 120.2° |
| C16 | C33 | C34 | 105.0° | 106.2° |
| C16 | C33 | C38 | 138.1° | 135.1° |
| N14 | C13 | C40 | 106.4° | 109.5° |
| C13 | N14 | C34 | 124.4° | 124.8° |
| N14 | C13 | H16 | 110.4° | 109.7° |
| C13 | C40 | C08 | 101.4° | 103.9° |
| C13 | C40 | O41 | 110.5° | 110.4° |
| C13 | C40 | H1 | 110.8° | 110.5° |
| C40 | C13 | H16 | 110.1° | 109.4° |
| C09 | C08 | C40 | 102.0° | 104.1° |
| C09 | C08 | O07 | 114.2° | 110.4° |
| C09 | C08 | H14 | 110.3° | 110.7° |
| C08 | C09 | H15 | 110.7° | 109.4° |
| N14 | C34 | C33 | 109.9° | 107.4° |
| N14 | C34 | N35 | 130.0° | 134.1° |
| C27 | C28 | H6 | 119.9° | 120.1° |
| C28 | C27 | H7 | 120.2° | 119.5° |
| C34 | C33 | C38 | 116.9° | 118.8° |
| C33 | C34 | N35 | 120.1° | 118.5° |
| C33 | C38 | N39 | 122.0° | 120.8° |
| C33 | C38 | N37 | 119.6° | 118.4° |
| C34 | N35 | C36 | 120.7° | 120.7° |
| O58 | C57 | C02 | 110.9° | 111.3° |
| O58 | C57 | C45 | 111.2° | 108.9° |
| O58 | C57 | H26 | 110.7° | 113.3° |
| N39 | C38 | N37 | 118.4° | 120.8° |
| C38 | N39 | H27 | 109.5° | 120.0° |
| C38 | N39 | H28 | 109.5° | 120.0° |
| C38 | N37 | C36 | 121.0° | 120.9° |
| N35 | C36 | N37 | 121.7° | 122.7° |
| N35 | C36 | H2 | 119.1° | 118.7° |
| N37 | C36 | H2 | 119.2° | 118.6° |
| C40 | C08 | O07 | 109.6° | 109.7° |
| C08 | C40 | O41 | 111.3° | 110.4° |
| C08 | C40 | H1 | 110.6° | 110.5° |
| C40 | C08 | H14 | 109.9° | 110.5° |
| C08 | O07 | P06 | 115.7° | 124.5° |
| O07 | C08 | H14 | 110.5° | 111.1° |
| O41 | C40 | H1 | 111.8° | 110.9° |
| C40 | O41 | H33 | 109.5° | 114.0° |
| O01 | C02 | C57 | 111.5° | 113.3° |
| O01 | C02 | C03 | 110.8° | 112.0° |
| O01 | C02 | H10 | 110.8° | 111.4° |
| C02 | O01 | H32 | 109.5° | 114.1° |
| N53 | C52 | N51 | 118.6° | 118.8° |
| N53 | C52 | N54 | 121.0° | 118.7° |
| C52 | N53 | H30 | 120.0° | 120.0° |
| C52 | N53 | H31 | 120.0° | 120.0° |
| C02 | C57 | C45 | 104.5° | 100.9° |
| C57 | C02 | C03 | 103.6° | 100.3° |
| C57 | C02 | H10 | 109.9° | 109.7° |
| C02 | C57 | H26 | 109.7° | 110.9° |
| C57 | C45 | N46 | 105.1° | 109.1° |
| C57 | C45 | O44 | 106.5° | 107.7° |
| C57 | C45 | H24 | 110.6° | 109.2° |
| C45 | C57 | H26 | 109.7° | 110.8° |
| C02 | C03 | O44 | 108.2° | 104.6° |
| C02 | C03 | C04 | 108.2° | 110.6° |
| C03 | C02 | H10 | 110.0° | 109.6° |
| C02 | C03 | H11 | 110.3° | 108.7° |
| N51 | C52 | N54 | 120.4° | 122.5° |
| C52 | N51 | C50 | 119.2° | 120.6° |
| C52 | N51 | H29 | 120.4° | 119.7° |
| C52 | N54 | C55 | 120.1° | 121.3° |
| N51 | C50 | N46 | 130.7° | 134.7° |
| N51 | C50 | C49 | 121.0° | 118.9° |
| C50 | N51 | H29 | 120.4° | 119.7° |
| O07 | P06 | O05 | 114.2° | 109.9° |
| O07 | P06 | O42 | 114.4° | 109.4° |
| O07 | P06 | O43 | 104.8° | 109.6° |
| N54 | C55 | C49 | 119.6° | 118.6° |
| N54 | C55 | O56 | 120.2° | 120.7° |
| N46 | C45 | O44 | 111.3° | 109.9° |
| C45 | N46 | C50 | 124.7° | 126.2° |
| C45 | N46 | C47 | 126.9° | 126.3° |
| N46 | C45 | H24 | 111.5° | 110.7° |
| C45 | O44 | C03 | 107.3° | 109.0° |
| O44 | C45 | H24 | 111.6° | 110.2° |
| N46 | C50 | C49 | 108.3° | 106.4° |
| C50 | N46 | C47 | 108.4° | 107.5° |
| C50 | C49 | C55 | 119.7° | 118.1° |
| C50 | C49 | N48 | 107.7° | 107.4° |
| C49 | C55 | O56 | 120.2° | 120.7° |
| C55 | C49 | N48 | 132.6° | 134.5° |
| N46 | C47 | N48 | 108.0° | 109.6° |
| N46 | C47 | H25 | 126.0° | 125.2° |
| C49 | N48 | C47 | 107.7° | 109.2° |
| N48 | C47 | H25 | 126.0° | 125.2° |
| O44 | C03 | C04 | 109.3° | 112.3° |
| O44 | C03 | H11 | 110.5° | 109.2° |
| C03 | C04 | O05 | 109.2° | 108.8° |
| C04 | C03 | H11 | 110.2° | 111.2° |
| C03 | C04 | H12 | 109.6° | 110.3° |
| C03 | C04 | H13 | 109.5° | 110.1° |
| O05 | P06 | O42 | 113.0° | 109.2° |
| O05 | P06 | O43 | 103.9° | 109.7° |
| P06 | O05 | C04 | 115.9° | 122.5° |
| O42 | P06 | O43 | 105.1° | 109.0° |
| P06 | O43 | H34 | 109.5° | 114.0° |
| O05 | C04 | H12 | 109.5° | 109.0° |
| O05 | C04 | H13 | 109.5° | 109.3° |
| H8 | C10 | H9 | 109.5° | 109.2° |
| H12 | C04 | H13 | 109.5° | 109.4° |
| H27 | N39 | H28 | 109.5° | 119.9° |
| H30 | N53 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O61 | P59 | O60 | O11 | 112.2° | 120.5° |
| O61 | P59 | O60 | O58 | 113.4° | 120.1° |
| O61 | P59 | O11 | O58 | 112.7° | 121.0° |
| O61 | P59 | O11 | C10 | 129.7° | 20.2° |
| O61 | P59 | O58 | C57 | 145.1° | 28.7° |
| O61 | P59 | O60 | H35 | 0.0° | 60.0° |
| O60 | P59 | O11 | O58 | 134.0° | 119.2° |
| O60 | P59 | O11 | C10 | 16.4° | 99.6° |
| O60 | P59 | O58 | C57 | 101.0° | 148.2° |
| C30 | C29 | C24 | H21 | 180.0° | 179.5° |
| C29 | C30 | C21 | H3 | 180.0° | 179.7° |
| C30 | C29 | C24 | C25 | 179.6° | 179.7° |
| C30 | C29 | C24 | C23 | 0.2° | 0.5° |
| C29 | C30 | C21 | C20 | 177.7° | 179.7° |
| C29 | C30 | C21 | C22 | 1.5° | 0.2° |
| C24 | C29 | C30 | C21 | 0.4° | 0.5° |
| C29 | C24 | C25 | C23 | 179.8° | 179.7° |
| C29 | C24 | C25 | C26 | 179.7° | 179.7° |
| C29 | C24 | C23 | C22 | 0.3° | 0.2° |
| C29 | C24 | C23 | C28 | 179.8° | 179.7° |
| C24 | C29 | C30 | H3 | 179.6° | 179.7° |
| C29 | C24 | C25 | H4 | 0.3° | 0.3° |
| C30 | C21 | C20 | C31 | 152.0° | 180.0° |
| C30 | C21 | C20 | C22 | 176.2° | 180.0° |
| C30 | C21 | C20 | C19 | 31.5° | 0.0° |
| C30 | C21 | C22 | C23 | 2.1° | 0.1° |
| C30 | C21 | C22 | H20 | 177.9° | 180.0° |
| C21 | C30 | C29 | H21 | 179.6° | 180.0° |
| C13 | O12 | C09 | C10 | 137.4° | 116.0° |
| O12 | C13 | N14 | C15 | 23.8° | 23.6° |
| O12 | C13 | N14 | C40 | 115.5° | 118.5° |
| O12 | C13 | N14 | H16 | 125.0° | 121.4° |
| O12 | C13 | C40 | H16 | 119.6° | 119.9° |
| C13 | O12 | C09 | C08 | 17.8° | 5.0° |
| O12 | C13 | N14 | C34 | 157.7° | 156.5° |
| O12 | C13 | C40 | C08 | 33.2° | 19.8° |
| O12 | C13 | C40 | O41 | 84.9° | 138.2° |
| O12 | C13 | C40 | H1 | 150.7° | 98.7° |
| C13 | O12 | C09 | H15 | 100.8° | 124.2° |
| O12 | C09 | C10 | O11 | 59.8° | 132.0° |
| O12 | C09 | C10 | C08 | 114.6° | 119.5° |
| O12 | C09 | C10 | H15 | 122.2° | 120.2° |
| C09 | O12 | C13 | N14 | 106.0° | 129.1° |
| C09 | O12 | C13 | C40 | 10.0° | 9.6° |
| O12 | C09 | C08 | H15 | 118.5° | 119.4° |
| O12 | C09 | C08 | C40 | 38.1° | 17.1° |
| O12 | C09 | C08 | O07 | 156.2° | 100.5° |
| O12 | C09 | C10 | H8 | 179.6° | 106.8° |
| O12 | C09 | C10 | H9 | 60.1° | 12.6° |
| O12 | C09 | C08 | H14 | 78.6° | 136.0° |
| C09 | O12 | C13 | H16 | 129.2° | 109.7° |
| P59 | O11 | C10 | C09 | 169.0° | 169.8° |
| O11 | P59 | O58 | C57 | 33.2° | 92.5° |
| P59 | O11 | C10 | H8 | 49.1° | 49.4° |
| P59 | O11 | C10 | H9 | 71.2° | 70.8° |
| O11 | P59 | O60 | H35 | 112.2° | 60.4° |
| O58 | P59 | O11 | C10 | 117.6° | 141.3° |
| P59 | O58 | C57 | C02 | 63.0° | 54.2° |
| P59 | O58 | C57 | C45 | 178.8° | 164.6° |
| P59 | O58 | C57 | H26 | 59.0° | 71.6° |
| O58 | P59 | O60 | H35 | 113.4° | 179.9° |
| C24 | C25 | C26 | H4 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C23 | C22 | 179.9° | 180.0° |
| C25 | C24 | C23 | C28 | 0.0° | 0.0° |
| C24 | C25 | C26 | H5 | 179.8° | 180.0° |
| C25 | C24 | C29 | H21 | 0.4° | 0.2° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C25 | C26 | C27 | H5 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H7 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 1.5° | 0.1° |
| C24 | C23 | C22 | C28 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 0.0° | 0.0° |
| C23 | C24 | C25 | H4 | 179.9° | 180.0° |
| C24 | C23 | C28 | H6 | 180.0° | 180.0° |
| C24 | C23 | C22 | H20 | 178.5° | 180.0° |
| C23 | C24 | C29 | H21 | 179.8° | 180.0° |
| C20 | C31 | C32 | H22 | 180.0° | 179.8° |
| C31 | C20 | C21 | C19 | 176.6° | 180.0° |
| C31 | C20 | C21 | C22 | 31.9° | 0.1° |
| C20 | C31 | C32 | C17 | 0.4° | 0.5° |
| C31 | C20 | C19 | C18 | 1.5° | 0.0° |
| C31 | C20 | C19 | H19 | 178.5° | 180.0° |
| C20 | C31 | C32 | H23 | 179.6° | 180.0° |
| C32 | C31 | C20 | C21 | 178.2° | 179.7° |
| C32 | C31 | C20 | C19 | 1.7° | 0.3° |
| C31 | C32 | C17 | H23 | 180.0° | 179.5° |
| C31 | C32 | C17 | C18 | 1.0° | 0.5° |
| C31 | C32 | C17 | C16 | 179.2° | 179.7° |
| C21 | C20 | C19 | C18 | 178.1° | 180.0° |
| C20 | C21 | C22 | C23 | 178.3° | 180.0° |
| C20 | C21 | C30 | H3 | 2.4° | 0.0° |
| C21 | C20 | C19 | H19 | 1.9° | 0.0° |
| C20 | C21 | C22 | H20 | 1.7° | 0.0° |
| C21 | C20 | C31 | H22 | 1.8° | 0.0° |
| C22 | C21 | C20 | C19 | 144.7° | 179.9° |
| C21 | C22 | C23 | H20 | 180.0° | 179.9° |
| C21 | C22 | C23 | C28 | 178.6° | 180.0° |
| C22 | C21 | C30 | H3 | 178.5° | 180.0° |
| O11 | C10 | C09 | H8 | 119.8° | 121.1° |
| O11 | C10 | C09 | H9 | 119.8° | 119.4° |
| O11 | C10 | C09 | C08 | 54.8° | 108.5° |
| O11 | C10 | H8 | H9 | 120.4° | 120.2° |
| O11 | C10 | C09 | H15 | 178.1° | 11.8° |
| C10 | C09 | C08 | H15 | 122.8° | 120.0° |
| C10 | C09 | C08 | C40 | 156.9° | 103.4° |
| C10 | C09 | C08 | O07 | 85.0° | 138.9° |
| C09 | C10 | H8 | H9 | 120.5° | 119.4° |
| C10 | C09 | C08 | H14 | 40.1° | 15.4° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.9° |
| C19 | C20 | C31 | H22 | 178.3° | 180.0° |
| C32 | C17 | C18 | C16 | 178.3° | 179.7° |
| C32 | C17 | C18 | C19 | 1.2° | 0.3° |
| C32 | C17 | C16 | C15 | 159.4° | 129.7° |
| C32 | C17 | C16 | C33 | 23.7° | 50.4° |
| C32 | C17 | C18 | H18 | 178.8° | 179.8° |
| C17 | C32 | C31 | H22 | 179.5° | 179.7° |
| C26 | C27 | C28 | C23 | 0.0° | 0.0° |
| C26 | C27 | C28 | H7 | 180.0° | 180.0° |
| C27 | C26 | C25 | H4 | 179.9° | 180.0° |
| C26 | C27 | C28 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 22.4° | 50.0° |
| C18 | C17 | C16 | C33 | 154.5° | 129.9° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C17 | C32 | H23 | 179.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.5° | 180.0° |
| C17 | C16 | C15 | C33 | 177.5° | 179.9° |
| C17 | C16 | C15 | N14 | 178.8° | 179.9° |
| C17 | C16 | C33 | C34 | 178.2° | 180.0° |
| C17 | C16 | C33 | C38 | 2.7° | 0.1° |
| C17 | C16 | C15 | H17 | 1.2° | 0.0° |
| C16 | C17 | C18 | H18 | 0.5° | 0.1° |
| C16 | C17 | C32 | H23 | 0.8° | 0.3° |
| C16 | C15 | N14 | H17 | 180.0° | 180.0° |
| C16 | C15 | N14 | C13 | 179.9° | 179.9° |
| C16 | C15 | N14 | C34 | 1.2° | 0.0° |
| C15 | C16 | C33 | C34 | 0.9° | 0.1° |
| C15 | C16 | C33 | C38 | 180.0° | 179.9° |
| N14 | C15 | C16 | C33 | 1.3° | 0.0° |
| C15 | N14 | C13 | C34 | 178.5° | 179.9° |
| C15 | N14 | C13 | C40 | 91.7° | 94.9° |
| C15 | N14 | C34 | C33 | 0.7° | 0.1° |
| C15 | N14 | C34 | N35 | 179.7° | 180.0° |
| C15 | N14 | C13 | H16 | 148.8° | 145.1° |
| C22 | C23 | C28 | C27 | 179.9° | 180.0° |
| C22 | C23 | C28 | H6 | 0.1° | 0.0° |
| C23 | C28 | C27 | H6 | 180.0° | 180.0° |
| C23 | C28 | C27 | H7 | 180.0° | 180.0° |
| C28 | C23 | C22 | H20 | 1.4° | 0.1° |
| C16 | C33 | C34 | N14 | 0.1° | 0.1° |
| C16 | C33 | C34 | C38 | 179.3° | 179.9° |
| C16 | C33 | C34 | N35 | 179.0° | 180.0° |
| C16 | C33 | C38 | N39 | 1.3° | 0.2° |
| C16 | C33 | C38 | N37 | 179.0° | 179.8° |
| C33 | C16 | C15 | H17 | 178.7° | 180.0° |
| N14 | C13 | C40 | H16 | 119.7° | 120.3° |
| C13 | N14 | C34 | C33 | 179.4° | 180.0° |
| C13 | N14 | C34 | N35 | 1.6° | 0.1° |
| N14 | C13 | C40 | C08 | 87.4° | 139.7° |
| N14 | C13 | C40 | O41 | 154.4° | 101.9° |
| N14 | C13 | C40 | H1 | 30.0° | 21.2° |
| C13 | N14 | C15 | H17 | 0.1° | 0.1° |
| C13 | C40 | C08 | C09 | 44.1° | 21.8° |
| C40 | C13 | N14 | C34 | 86.8° | 85.0° |
| C13 | C40 | C08 | O41 | 117.6° | 118.4° |
| C13 | C40 | C08 | H1 | 117.5° | 118.5° |
| C13 | C40 | C08 | O07 | 165.4° | 96.3° |
| C13 | C40 | O41 | H1 | 123.9° | 122.8° |
| C13 | C40 | C08 | H14 | 73.0° | 140.8° |
| C13 | C40 | O41 | H33 | 180.0° | 63.5° |
| C09 | C08 | C40 | O07 | 121.3° | 118.1° |
| C09 | C08 | C40 | H14 | 117.0° | 118.9° |
| C09 | C08 | O07 | H14 | 125.1° | 123.3° |
| C09 | C08 | C40 | O41 | 73.5° | 140.3° |
| C09 | C08 | O07 | P06 | 164.4° | 83.2° |
| C09 | C08 | C40 | H1 | 161.6° | 96.6° |
| C08 | C09 | C10 | H8 | 65.0° | 12.7° |
| C08 | C09 | C10 | H9 | 174.6° | 132.1° |
| N14 | C34 | C33 | N35 | 179.2° | 179.9° |
| N14 | C34 | C33 | C38 | 179.5° | 180.0° |
| N14 | C34 | N35 | C36 | 179.6° | 179.9° |
| C34 | N14 | C13 | H16 | 32.7° | 35.0° |
| C34 | N14 | C15 | H17 | 178.8° | 180.0° |
| C28 | C27 | C26 | H5 | 179.9° | 180.0° |
| C34 | C33 | C38 | N39 | 179.7° | 180.0° |
| C34 | C33 | C38 | N37 | 0.0° | 0.3° |
| C33 | C34 | N35 | C36 | 0.6° | 0.0° |
| C38 | C33 | C34 | N35 | 0.3° | 0.1° |
| C33 | C38 | N39 | N37 | 179.7° | 179.7° |
| C33 | C38 | N37 | C36 | 0.0° | 0.5° |
| C33 | C38 | N39 | H27 | 179.7° | 179.7° |
| C33 | C38 | N39 | H28 | 60.3° | 0.4° |
| C34 | N35 | C36 | N37 | 0.6° | 0.2° |
| C34 | N35 | C36 | H2 | 179.4° | 180.0° |
| O58 | C57 | C02 | O01 | 30.0° | 41.8° |
| O58 | C57 | C02 | C45 | 119.9° | 115.4° |
| O58 | C57 | C02 | H26 | 122.6° | 127.1° |
| O58 | C57 | C45 | H26 | 122.8° | 125.3° |
| O58 | C57 | C02 | C03 | 149.2° | 77.7° |
| O58 | C57 | C45 | N46 | 90.5° | 147.1° |
| O58 | C57 | C45 | O44 | 151.4° | 93.7° |
| O58 | C57 | C02 | H10 | 93.4° | 166.9° |
| O58 | C57 | C45 | H24 | 30.0° | 26.0° |
| N39 | C38 | N37 | C36 | 179.7° | 179.9° |
| C38 | N39 | H27 | H28 | 120.0° | 179.9° |
| C38 | N37 | C36 | N35 | 0.3° | 0.4° |
| C38 | N37 | C36 | H2 | 179.7° | 179.7° |
| N37 | C38 | N39 | H27 | 0.0° | 0.1° |
| N37 | C38 | N39 | H28 | 120.0° | 180.0° |
| N35 | C36 | N37 | H2 | 180.0° | 179.8° |
| C40 | C08 | O07 | H14 | 121.2° | 122.6° |
| C08 | C40 | O41 | H1 | 124.2° | 122.9° |
| C40 | C08 | O07 | P06 | 81.9° | 162.7° |
| C40 | C08 | C09 | H15 | 80.3° | 136.6° |
| C08 | C40 | C13 | H16 | 152.9° | 100.0° |
| C08 | C40 | O41 | H33 | 68.1° | 177.9° |
| O07 | C08 | C40 | O41 | 47.8° | 22.1° |
| C08 | O07 | P06 | O05 | 81.0° | 41.3° |
| C08 | O07 | P06 | O42 | 51.4° | 161.2° |
| C08 | O07 | P06 | O43 | 166.0° | 79.4° |
| O07 | C08 | C40 | H1 | 77.0° | 145.2° |
| O07 | C08 | C09 | H15 | 37.8° | 18.9° |
| O41 | C40 | C08 | H14 | 169.4° | 100.8° |
| O41 | C40 | C13 | H16 | 34.7° | 18.4° |
| O01 | C02 | C57 | C03 | 119.2° | 119.5° |
| O01 | C02 | C57 | H10 | 123.3° | 125.2° |
| O01 | C02 | C57 | C45 | 90.0° | 157.1° |
| O01 | C02 | C03 | H10 | 122.9° | 124.2° |
| O01 | C02 | C03 | O44 | 102.5° | 161.1° |
| O01 | C02 | C03 | C04 | 139.2° | 77.8° |
| O01 | C02 | C03 | H11 | 18.6° | 44.5° |
| O01 | C02 | C57 | H26 | 152.6° | 85.4° |
| N53 | C52 | N51 | N54 | 180.0° | 179.4° |
| N53 | C52 | N51 | C50 | 179.8° | 180.0° |
| N53 | C52 | N54 | C55 | 179.9° | 179.8° |
| N53 | C52 | N51 | H29 | 0.2° | 0.6° |
| C52 | N53 | H30 | H31 | 180.0° | 180.0° |
| C02 | C57 | C45 | H26 | 117.5° | 117.5° |
| C57 | C02 | C03 | H10 | 117.4° | 115.3° |
| C02 | C57 | C45 | N46 | 149.8° | 95.8° |
| C02 | C57 | C45 | O44 | 31.7° | 23.5° |
| C57 | C02 | C03 | O44 | 17.2° | 40.6° |
| C57 | C02 | C03 | C04 | 101.2° | 161.8° |
| C57 | C02 | C03 | H11 | 138.2° | 75.9° |
| C02 | C57 | C45 | H24 | 89.7° | 143.2° |
| C57 | C02 | O01 | H32 | 180.0° | 174.0° |
| C45 | C57 | C02 | C03 | 29.2° | 37.6° |
| C57 | C45 | N46 | O44 | 114.8° | 117.9° |
| C57 | C45 | N46 | H24 | 119.8° | 120.2° |
| C57 | C45 | O44 | H24 | 120.7° | 119.0° |
| C57 | C45 | N46 | C50 | 118.9° | 85.7° |
| C57 | C45 | N46 | C47 | 58.7° | 94.3° |
| C57 | C45 | O44 | C03 | 20.9° | 2.0° |
| C45 | C57 | C02 | H10 | 146.7° | 77.7° |
| C02 | C03 | O44 | C45 | 2.2° | 27.0° |
| C02 | C03 | O44 | C04 | 117.6° | 120.0° |
| C02 | C03 | O44 | H11 | 120.9° | 116.2° |
| C02 | C03 | C04 | H11 | 120.7° | 120.9° |
| C02 | C03 | C04 | O05 | 66.5° | 74.9° |
| C02 | C03 | C04 | H12 | 173.5° | 44.6° |
| C02 | C03 | C04 | H13 | 53.4° | 165.4° |
| C03 | C02 | C57 | H26 | 88.2° | 155.1° |
| C03 | C02 | O01 | H32 | 65.2° | 61.4° |
| C52 | N51 | C50 | H29 | 180.0° | 179.4° |
| N51 | C52 | N54 | C55 | 0.1° | 0.9° |
| C52 | N51 | C50 | N46 | 179.4° | 180.0° |
| C52 | N51 | C50 | C49 | 0.1° | 0.2° |
| N51 | C52 | N53 | H30 | 180.0° | 0.0° |
| N51 | C52 | N53 | H31 | 0.0° | 180.0° |
| N54 | C52 | N51 | C50 | 0.1° | 0.6° |
| C52 | N54 | C55 | C49 | 0.4° | 0.7° |
| C52 | N54 | C55 | O56 | 179.7° | 179.2° |
| N54 | C52 | N51 | H29 | 179.9° | 180.0° |
| N54 | C52 | N53 | H30 | 0.0° | 179.4° |
| N54 | C52 | N53 | H31 | 180.0° | 0.6° |
| N51 | C50 | N46 | C45 | 1.8° | 0.0° |
| N51 | C50 | N46 | C49 | 179.5° | 179.8° |
| N51 | C50 | C49 | C55 | 0.2° | 0.1° |
| N51 | C50 | N46 | C47 | 179.8° | 180.0° |
| N51 | C50 | C49 | N48 | 180.0° | 179.8° |
| O07 | P06 | O05 | O42 | 133.0° | 120.0° |
| O07 | P06 | O05 | O43 | 113.6° | 120.6° |
| O07 | P06 | O42 | O43 | 114.4° | 119.8° |
| O07 | P06 | O05 | C04 | 72.1° | 157.8° |
| P06 | O07 | C08 | H14 | 39.3° | 40.1° |
| O07 | P06 | O43 | H34 | 121.0° | 179.9° |
| N54 | C55 | C49 | C50 | 0.5° | 0.4° |
| N54 | C55 | C49 | O56 | 179.9° | 180.0° |
| N54 | C55 | C49 | N48 | 179.9° | 180.0° |
| N46 | C45 | O44 | H24 | 125.3° | 122.2° |
| C45 | N46 | C50 | C47 | 178.0° | 180.0° |
| C45 | N46 | C50 | C49 | 178.7° | 179.8° |
| C45 | N46 | C47 | N48 | 178.6° | 180.0° |
| N46 | C45 | O44 | C03 | 134.8° | 120.7° |
| C45 | N46 | C47 | H25 | 1.4° | 0.2° |
| N46 | C45 | C57 | H26 | 32.3° | 21.8° |
| O44 | C45 | N46 | C50 | 126.3° | 156.5° |
| O44 | C45 | N46 | C47 | 56.1° | 23.6° |
| C45 | O44 | C03 | C04 | 119.8° | 147.0° |
| C45 | O44 | C03 | H11 | 118.7° | 89.2° |
| O44 | C45 | C57 | H26 | 85.8° | 141.0° |
| N46 | C50 | C49 | C55 | 179.8° | 180.0° |
| N46 | C50 | C49 | N48 | 0.4° | 0.3° |
| C50 | N46 | C47 | N48 | 0.7° | 0.0° |
| C50 | N46 | C45 | H24 | 1.0° | 34.5° |
| C50 | N46 | C47 | H25 | 179.3° | 179.8° |
| N46 | C50 | N51 | H29 | 0.6° | 0.6° |
| C50 | C49 | C55 | N48 | 179.7° | 179.6° |
| C50 | C49 | C55 | O56 | 179.7° | 179.6° |
| C49 | C50 | N46 | C47 | 0.7° | 0.2° |
| C50 | C49 | N48 | C47 | 0.0° | 0.3° |
| C49 | C50 | N51 | H29 | 179.9° | 179.6° |
| C55 | C49 | N48 | C47 | 179.7° | 180.0° |
| O56 | C55 | C49 | N48 | 0.0° | 0.0° |
| N46 | C47 | N48 | C49 | 0.4° | 0.2° |
| N46 | C47 | N48 | H25 | 180.0° | 179.8° |
| C47 | N46 | C45 | H24 | 178.5° | 145.5° |
| C49 | N48 | C47 | H25 | 179.6° | 180.0° |
| O44 | C03 | C04 | H11 | 121.7° | 122.7° |
| O44 | C03 | C04 | O05 | 51.1° | 168.7° |
| O44 | C03 | C02 | H10 | 134.6° | 74.7° |
| O44 | C03 | C04 | H12 | 68.9° | 71.8° |
| O44 | C03 | C04 | H13 | 171.0° | 49.0° |
| C03 | O44 | C45 | H24 | 99.8° | 117.1° |
| C03 | C04 | O05 | P06 | 146.3° | 82.9° |
| C03 | C04 | O05 | H12 | 120.0° | 120.3° |
| C03 | C04 | O05 | H13 | 119.9° | 120.2° |
| C04 | C03 | C02 | H10 | 16.3° | 46.4° |
| C03 | C04 | H12 | H13 | 120.1° | 121.3° |
| O05 | P06 | O42 | O43 | 112.6° | 119.9° |
| P06 | O05 | C04 | H12 | 93.8° | 156.8° |
| P06 | O05 | C04 | H13 | 26.3° | 37.3° |
| O05 | P06 | O43 | H34 | 118.9° | 59.2° |
| O42 | P06 | O05 | C04 | 154.9° | 82.2° |
| O42 | P06 | O43 | H34 | 0.0° | 60.3° |
| O43 | P06 | O05 | C04 | 41.5° | 37.2° |
| O05 | C04 | C03 | H11 | 172.8° | 46.0° |
| O05 | C04 | H12 | H13 | 120.1° | 119.4° |
| H1 | C40 | C08 | H14 | 44.6° | 22.3° |
| H1 | C40 | C13 | H16 | 89.7° | 141.4° |
| H1 | C40 | O41 | H33 | 56.1° | 59.3° |
| H3 | C30 | C29 | H21 | 0.4° | 0.2° |
| H4 | C25 | C26 | H5 | 0.2° | 0.0° |
| H5 | C26 | C27 | H7 | 0.1° | 0.0° |
| H6 | C28 | C27 | H7 | 0.0° | 0.0° |
| H8 | C10 | C09 | H15 | 58.3° | 133.0° |
| H9 | C10 | C09 | H15 | 62.1° | 107.6° |
| H10 | C02 | C03 | H11 | 104.4° | 168.7° |
| H10 | C02 | C57 | H26 | 29.2° | 39.8° |
| H10 | C02 | O01 | H32 | 57.2° | 61.8° |
| H11 | C03 | C04 | H12 | 52.8° | 165.4° |
| H11 | C03 | C04 | H13 | 67.3° | 73.7° |
| H14 | C08 | C09 | H15 | 163.0° | 104.6° |
| H18 | C18 | C19 | H19 | 0.0° | 0.1° |
| H22 | C31 | C32 | H23 | 0.5° | 0.3° |
| H24 | C45 | C57 | H26 | 152.8° | 99.3° |
