KXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| C32 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.42Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C23 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C23 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | O22 | sing | 1.36Å | 1.48Å | |
| O22 | C21 | sing | 1.43Å | 1.46Å | |
| O62 | P61 | doub | 1.48Å | 1.52Å | |
| O63 | P61 | sing | 1.61Å | 1.50Å | |
| C21 | C20 | sing | 1.51Å | 1.55Å | |
| P61 | O11 | sing | 1.61Å | 1.68Å | |
| P61 | O60 | sing | 1.61Å | 1.68Å | |
| O12 | C13 | sing | 1.43Å | 1.46Å | |
| O12 | C09 | sing | 1.43Å | 1.48Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| O11 | C10 | sing | 1.42Å | 1.42Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.48Å | 1.57Å | |
| C15 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.37Å | 1.33Å | Aromatic |
| C13 | N14 | sing | 1.47Å | 1.43Å | |
| C13 | C42 | sing | 1.54Å | 1.48Å | |
| C16 | C35 | sing | 1.47Å | 1.43Å | Aromatic |
| N14 | C36 | sing | 1.37Å | 1.34Å | Aromatic |
| C09 | C08 | sing | 1.54Å | 1.43Å | |
| C35 | C36 | doub | 1.40Å | 1.38Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.42Å | Aromatic |
| C36 | N37 | sing | 1.33Å | 1.35Å | Aromatic |
| O60 | C59 | sing | 1.42Å | 1.42Å | |
| C40 | N41 | sing | 1.38Å | 1.45Å | |
| C40 | N39 | doub | 1.33Å | 1.33Å | Aromatic |
| N37 | C38 | doub | 1.32Å | 1.32Å | Aromatic |
| N39 | C38 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | C42 | sing | 1.54Å | 1.47Å | |
| C08 | O07 | sing | 1.43Å | 1.47Å | |
| C42 | O43 | sing | 1.43Å | 1.43Å | |
| O01 | C02 | sing | 1.41Å | 1.47Å | |
| N55 | C54 | sing | 1.37Å | 1.46Å | |
| C59 | C02 | sing | 1.55Å | 1.44Å | |
| C59 | C47 | sing | 1.55Å | 1.48Å | |
| C54 | N53 | sing | 1.36Å | 1.46Å | |
| C54 | N56 | doub | 1.32Å | 1.45Å | |
| C02 | C03 | sing | 1.54Å | 1.44Å | |
| N53 | C52 | sing | 1.37Å | 1.48Å | |
| O07 | P06 | sing | 1.61Å | 1.70Å | |
| N56 | C57 | sing | 1.34Å | 1.44Å | |
| C47 | N48 | sing | 1.46Å | 1.43Å | |
| C47 | O46 | sing | 1.44Å | 1.44Å | |
| C52 | N48 | sing | 1.36Å | 1.32Å | Aromatic |
| C52 | C51 | doub | 1.39Å | 1.37Å | Aromatic |
| C57 | C51 | sing | 1.47Å | 1.53Å | |
| C57 | O58 | doub | 1.22Å | 1.17Å | |
| N48 | C49 | sing | 1.36Å | 1.32Å | Aromatic |
| C51 | N50 | sing | 1.35Å | 1.34Å | Aromatic |
| C03 | O46 | sing | 1.44Å | 1.53Å | |
| C03 | C04 | sing | 1.52Å | 1.47Å | |
| C49 | N50 | doub | 1.30Å | 1.33Å | Aromatic |
| P06 | O05 | sing | 1.61Å | 1.64Å | |
| P06 | O45 | doub | 1.48Å | 1.51Å | |
| P06 | O44 | sing | 1.61Å | 1.49Å | |
| O05 | C04 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.08Å | 1.08Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C47 | H26 | sing | 1.08Å | 1.10Å | |
| C49 | H27 | sing | 1.08Å | 1.08Å | |
| C59 | H28 | sing | 1.08Å | 1.10Å | |
| N41 | H29 | sing | 0.97Å | 1.00Å | |
| N41 | H30 | sing | 0.97Å | 1.00Å | |
| N53 | H31 | sing | 0.97Å | 1.00Å | |
| N55 | H32 | sing | 0.97Å | 1.00Å | |
| N55 | H33 | sing | 0.97Å | 1.00Å | |
| O01 | H34 | sing | 0.97Å | 0.95Å | |
| O43 | H35 | sing | 0.97Å | 0.95Å | |
| O44 | H36 | sing | 0.97Å | 0.95Å | |
| O63 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C27 | 121.0° | 119.6° |
| C32 | C31 | C30 | 118.9° | 121.0° |
| C32 | C31 | H20 | 120.6° | 119.6° |
| C31 | C32 | H21 | 119.5° | 120.2° |
| C32 | C27 | C26 | 117.9° | 121.3° |
| C32 | C27 | C28 | 120.5° | 119.3° |
| C27 | C32 | H21 | 119.5° | 120.2° |
| C25 | C26 | C27 | 119.1° | 119.8° |
| C26 | C25 | C24 | 119.5° | 121.1° |
| C26 | C25 | H10 | 120.2° | 119.5° |
| C25 | C26 | H11 | 120.4° | 120.1° |
| C26 | C27 | C28 | 121.7° | 119.4° |
| C27 | C26 | H11 | 120.4° | 120.1° |
| C31 | C30 | C29 | 120.9° | 121.0° |
| C31 | C30 | H19 | 119.6° | 119.5° |
| C30 | C31 | H20 | 120.6° | 119.5° |
| C25 | C24 | C23 | 122.7° | 120.9° |
| C25 | C24 | H9 | 118.7° | 119.6° |
| C24 | C25 | H10 | 120.3° | 119.4° |
| C27 | C28 | C29 | 118.3° | 119.4° |
| C27 | C28 | C23 | 119.7° | 119.3° |
| C30 | C29 | C28 | 120.4° | 119.7° |
| C30 | C29 | H18 | 119.7° | 120.2° |
| C29 | C30 | H19 | 119.5° | 119.6° |
| C29 | C28 | C23 | 122.1° | 121.3° |
| C28 | C29 | H18 | 119.8° | 120.1° |
| C28 | C23 | C24 | 117.4° | 119.5° |
| C28 | C23 | O22 | 125.8° | 120.3° |
| C24 | C23 | O22 | 116.7° | 120.2° |
| C23 | C24 | H9 | 118.7° | 119.5° |
| C23 | O22 | C21 | 129.2° | 117.0° |
| O22 | C21 | C20 | 116.5° | 109.5° |
| O22 | C21 | H7 | 107.7° | 109.5° |
| O22 | C21 | H8 | 107.7° | 109.4° |
| O62 | P61 | O63 | 104.1° | 108.9° |
| O62 | P61 | O11 | 110.8° | 110.5° |
| O62 | P61 | O60 | 111.7° | 109.9° |
| O63 | P61 | O11 | 108.5° | 109.2° |
| O63 | P61 | O60 | 105.7° | 109.0° |
| P61 | O63 | H37 | 109.5° | 113.9° |
| C21 | C20 | C19 | 121.7° | 119.9° |
| C21 | C20 | C33 | 117.8° | 119.9° |
| C20 | C21 | H7 | 107.7° | 109.5° |
| C20 | C21 | H8 | 107.7° | 109.4° |
| O11 | P61 | O60 | 115.3° | 109.3° |
| P61 | O11 | C10 | 123.5° | 125.4° |
| P61 | O60 | C59 | 118.9° | 126.3° |
| C13 | O12 | C09 | 107.7° | 111.2° |
| O12 | C13 | N14 | 113.4° | 109.9° |
| O12 | C13 | C42 | 104.2° | 107.8° |
| O12 | C13 | H3 | 110.8° | 110.0° |
| O12 | C09 | C10 | 109.7° | 110.3° |
| O12 | C09 | C08 | 102.7° | 107.9° |
| O12 | C09 | H17 | 110.0° | 109.4° |
| C19 | C20 | C33 | 120.4° | 120.2° |
| C20 | C19 | C18 | 120.0° | 120.1° |
| C20 | C19 | H6 | 120.0° | 119.9° |
| C20 | C33 | C34 | 119.6° | 120.2° |
| C20 | C33 | H22 | 120.2° | 119.9° |
| C19 | C18 | C17 | 120.1° | 119.8° |
| C19 | C18 | H5 | 120.0° | 120.0° |
| C18 | C19 | H6 | 120.0° | 119.9° |
| O11 | C10 | C09 | 107.8° | 109.1° |
| O11 | C10 | H1 | 109.9° | 110.5° |
| O11 | C10 | H2 | 109.9° | 109.4° |
| C33 | C34 | C17 | 120.6° | 119.9° |
| C34 | C33 | H22 | 120.2° | 119.9° |
| C33 | C34 | H23 | 119.6° | 120.1° |
| C10 | C09 | C08 | 114.2° | 110.5° |
| C09 | C10 | H1 | 109.9° | 109.9° |
| C09 | C10 | H2 | 109.9° | 108.7° |
| C10 | C09 | H17 | 109.2° | 109.3° |
| C18 | C17 | C34 | 119.3° | 119.8° |
| C18 | C17 | C16 | 123.1° | 120.1° |
| C17 | C18 | H5 | 119.9° | 120.1° |
| C34 | C17 | C16 | 117.6° | 120.1° |
| C17 | C34 | H23 | 119.7° | 120.1° |
| C17 | C16 | C15 | 120.8° | 126.7° |
| C17 | C16 | C35 | 133.0° | 126.7° |
| C16 | C15 | N14 | 108.9° | 109.6° |
| C15 | C16 | C35 | 106.3° | 106.5° |
| C16 | C15 | H4 | 125.5° | 125.2° |
| C15 | N14 | C13 | 125.8° | 124.9° |
| C15 | N14 | C36 | 110.3° | 110.3° |
| N14 | C15 | H4 | 125.5° | 125.2° |
| N14 | C13 | C42 | 106.6° | 109.8° |
| C13 | N14 | C36 | 123.9° | 124.8° |
| N14 | C13 | H3 | 111.2° | 109.5° |
| C13 | C42 | C08 | 101.8° | 104.0° |
| C13 | C42 | O43 | 109.8° | 110.6° |
| C42 | C13 | H3 | 110.4° | 109.9° |
| C13 | C42 | H25 | 111.0° | 110.1° |
| C16 | C35 | C36 | 105.5° | 106.2° |
| C16 | C35 | C40 | 138.8° | 135.1° |
| N14 | C36 | C35 | 109.1° | 107.4° |
| N14 | C36 | N37 | 129.6° | 134.1° |
| C09 | C08 | C42 | 103.6° | 103.8° |
| C09 | C08 | O07 | 112.9° | 110.5° |
| C09 | C08 | H16 | 112.0° | 111.1° |
| C08 | C09 | H17 | 110.7° | 109.4° |
| C36 | C35 | C40 | 115.7° | 118.8° |
| C35 | C36 | N37 | 121.3° | 118.5° |
| C35 | C40 | N41 | 121.7° | 120.8° |
| C35 | C40 | N39 | 119.6° | 118.3° |
| C36 | N37 | C38 | 120.4° | 120.7° |
| O60 | C59 | C02 | 104.3° | 111.6° |
| O60 | C59 | C47 | 111.9° | 108.7° |
| O60 | C59 | H28 | 111.6° | 112.6° |
| N41 | C40 | N39 | 118.8° | 120.8° |
| C40 | N41 | H29 | 109.5° | 120.0° |
| C40 | N41 | H30 | 109.4° | 120.0° |
| C40 | N39 | C38 | 122.3° | 121.0° |
| N37 | C38 | N39 | 120.7° | 122.7° |
| N37 | C38 | H24 | 119.6° | 118.6° |
| N39 | C38 | H24 | 119.6° | 118.7° |
| C42 | C08 | O07 | 105.2° | 109.4° |
| C08 | C42 | O43 | 111.0° | 110.7° |
| C42 | C08 | H16 | 111.3° | 110.4° |
| C08 | C42 | H25 | 111.1° | 110.2° |
| C08 | O07 | P06 | 120.9° | 124.5° |
| O07 | C08 | H16 | 111.3° | 111.3° |
| O43 | C42 | H25 | 111.8° | 110.9° |
| C42 | O43 | H35 | 109.5° | 114.0° |
| O01 | C02 | C59 | 108.1° | 113.0° |
| O01 | C02 | C03 | 111.9° | 112.1° |
| O01 | C02 | H12 | 109.9° | 111.2° |
| C02 | O01 | H34 | 109.5° | 114.0° |
| N55 | C54 | N53 | 117.3° | 118.8° |
| N55 | C54 | N56 | 123.1° | 118.8° |
| C54 | N55 | H32 | 120.0° | 120.0° |
| C54 | N55 | H33 | 120.0° | 120.0° |
| C02 | C59 | C47 | 106.8° | 101.0° |
| C59 | C02 | C03 | 106.4° | 100.6° |
| C59 | C02 | H12 | 110.2° | 109.7° |
| C02 | C59 | H28 | 111.3° | 111.3° |
| C59 | C47 | N48 | 108.6° | 109.0° |
| C59 | C47 | O46 | 107.4° | 107.6° |
| C59 | C47 | H26 | 109.9° | 109.4° |
| C47 | C59 | H28 | 110.8° | 111.0° |
| N53 | C54 | N56 | 119.5° | 122.5° |
| C54 | N53 | C52 | 119.1° | 120.6° |
| C54 | N53 | H31 | 120.5° | 119.7° |
| C54 | N56 | C57 | 120.8° | 121.4° |
| C02 | C03 | O46 | 107.5° | 104.7° |
| C02 | C03 | C04 | 108.2° | 111.2° |
| C03 | C02 | H12 | 110.2° | 109.9° |
| C02 | C03 | H13 | 111.1° | 108.9° |
| N53 | C52 | N48 | 129.9° | 134.8° |
| N53 | C52 | C51 | 122.6° | 118.9° |
| C52 | N53 | H31 | 120.5° | 119.7° |
| O07 | P06 | O05 | 112.2° | 110.2° |
| O07 | P06 | O45 | 110.1° | 109.2° |
| O07 | P06 | O44 | 110.5° | 109.4° |
| N56 | C57 | C51 | 119.5° | 118.6° |
| N56 | C57 | O58 | 119.8° | 120.8° |
| N48 | C47 | O46 | 109.8° | 109.8° |
| C47 | N48 | C52 | 120.6° | 126.2° |
| C47 | N48 | C49 | 130.7° | 126.2° |
| N48 | C47 | H26 | 110.6° | 110.9° |
| C47 | O46 | C03 | 105.3° | 109.2° |
| O46 | C47 | H26 | 110.4° | 110.1° |
| N48 | C52 | C51 | 107.5° | 106.4° |
| C52 | N48 | C49 | 108.7° | 107.5° |
| C52 | C51 | C57 | 118.5° | 118.1° |
| C52 | C51 | N50 | 106.9° | 107.4° |
| C51 | C57 | O58 | 120.7° | 120.7° |
| C57 | C51 | N50 | 134.6° | 134.5° |
| N48 | C49 | N50 | 109.1° | 109.5° |
| N48 | C49 | H27 | 125.5° | 125.3° |
| C51 | N50 | C49 | 107.8° | 109.1° |
| O46 | C03 | C04 | 109.5° | 112.0° |
| O46 | C03 | H13 | 109.8° | 109.2° |
| C03 | C04 | O05 | 109.5° | 109.2° |
| C04 | C03 | H13 | 110.7° | 110.7° |
| C03 | C04 | H14 | 109.5° | 110.1° |
| C03 | C04 | H15 | 109.4° | 109.7° |
| N50 | C49 | H27 | 125.4° | 125.2° |
| O05 | P06 | O45 | 107.5° | 109.3° |
| O05 | P06 | O44 | 109.0° | 109.8° |
| P06 | O05 | C04 | 110.8° | 123.5° |
| O45 | P06 | O44 | 107.4° | 108.9° |
| P06 | O44 | H36 | 109.5° | 114.0° |
| O05 | C04 | H14 | 109.5° | 109.2° |
| O05 | C04 | H15 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.2° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.2° |
| H29 | N41 | H30 | 109.5° | 120.0° |
| H32 | N55 | H33 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C27 | H21 | 180.0° | 179.6° |
| C31 | C32 | C27 | C26 | 179.5° | 179.9° |
| C32 | C31 | C30 | H20 | 180.0° | 179.8° |
| C31 | C32 | C27 | C28 | 0.7° | 0.5° |
| C32 | C31 | C30 | C29 | 0.1° | 0.2° |
| C32 | C31 | C30 | H19 | 179.9° | 179.9° |
| C32 | C27 | C26 | C25 | 179.7° | 179.9° |
| C32 | C27 | C26 | C28 | 179.8° | 179.7° |
| C27 | C32 | C31 | C30 | 0.7° | 0.4° |
| C32 | C27 | C28 | C29 | 0.2° | 0.3° |
| C32 | C27 | C28 | C23 | 179.2° | 179.7° |
| C32 | C27 | C26 | H11 | 0.3° | 0.0° |
| C27 | C32 | C31 | H20 | 179.3° | 179.8° |
| C25 | C26 | C27 | H11 | 180.0° | 180.0° |
| C26 | C25 | C24 | H10 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.3° |
| C26 | C25 | C24 | C23 | 0.8° | 0.1° |
| C26 | C25 | C24 | H9 | 179.2° | 179.9° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C26 | C27 | C28 | C29 | 179.9° | 180.0° |
| C26 | C27 | C28 | C23 | 1.1° | 0.6° |
| C27 | C26 | C25 | H10 | 179.8° | 180.0° |
| C26 | C27 | C32 | H21 | 0.5° | 0.3° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.5° | 0.0° |
| C31 | C30 | C29 | H18 | 179.5° | 180.0° |
| C30 | C31 | C32 | H21 | 179.4° | 180.0° |
| C25 | C24 | C23 | C28 | 1.9° | 0.2° |
| C25 | C24 | C23 | H9 | 180.0° | 179.9° |
| C25 | C24 | C23 | O22 | 178.0° | 179.9° |
| C24 | C25 | C26 | H11 | 179.8° | 179.9° |
| C27 | C28 | C29 | C30 | 0.4° | 0.0° |
| C27 | C28 | C29 | C23 | 179.0° | 179.4° |
| C27 | C28 | C23 | C24 | 2.0° | 0.6° |
| C27 | C28 | C23 | O22 | 177.7° | 179.7° |
| C28 | C27 | C26 | H11 | 180.0° | 179.7° |
| C27 | C28 | C29 | H18 | 179.6° | 180.0° |
| C28 | C27 | C32 | H21 | 179.3° | 179.9° |
| C30 | C29 | C28 | H18 | 180.0° | 180.0° |
| C30 | C29 | C28 | C23 | 178.6° | 179.5° |
| C29 | C30 | C31 | H20 | 179.9° | 180.0° |
| C29 | C28 | C23 | C24 | 179.1° | 180.0° |
| C29 | C28 | C23 | O22 | 3.3° | 0.3° |
| C28 | C29 | C30 | H19 | 179.5° | 180.0° |
| C28 | C23 | C24 | O22 | 176.2° | 179.7° |
| C28 | C23 | O22 | C21 | 54.1° | 179.7° |
| C28 | C23 | C24 | H9 | 178.1° | 179.7° |
| C23 | C28 | C29 | H18 | 1.4° | 0.5° |
| C24 | C23 | O22 | C21 | 130.2° | 0.0° |
| C23 | C24 | C25 | H10 | 179.2° | 180.0° |
| C23 | O22 | C21 | C20 | 23.6° | 180.0° |
| C23 | O22 | C21 | H7 | 144.6° | 60.0° |
| C23 | O22 | C21 | H8 | 97.5° | 60.0° |
| O22 | C23 | C24 | H9 | 2.0° | 0.0° |
| O22 | C21 | C20 | H7 | 121.0° | 120.1° |
| O22 | C21 | C20 | H8 | 121.0° | 120.0° |
| O22 | C21 | C20 | C19 | 64.0° | 90.0° |
| O22 | C21 | C20 | C33 | 117.2° | 90.0° |
| O22 | C21 | H7 | H8 | 116.8° | 120.0° |
| O62 | P61 | O63 | O11 | 118.0° | 120.7° |
| O62 | P61 | O63 | O60 | 117.8° | 119.9° |
| O62 | P61 | O11 | O60 | 128.0° | 121.1° |
| O62 | P61 | O11 | C10 | 132.9° | 20.3° |
| O62 | P61 | O60 | C59 | 134.8° | 28.4° |
| O62 | P61 | O63 | H37 | 0.0° | 60.0° |
| O63 | P61 | O11 | O60 | 118.3° | 119.2° |
| O63 | P61 | O11 | C10 | 19.2° | 99.4° |
| O63 | P61 | O60 | C59 | 112.6° | 147.7° |
| C21 | C20 | C19 | C33 | 178.8° | 180.0° |
| C21 | C20 | C19 | C18 | 179.3° | 180.0° |
| C21 | C20 | C33 | C34 | 179.8° | 179.7° |
| C21 | C20 | C19 | H6 | 0.6° | 0.1° |
| C20 | C21 | H7 | H8 | 116.8° | 120.0° |
| C21 | C20 | C33 | H22 | 0.2° | 0.0° |
| P61 | O11 | C10 | C09 | 168.7° | 168.2° |
| O11 | P61 | O60 | C59 | 7.2° | 93.0° |
| P61 | O11 | C10 | H1 | 49.0° | 47.3° |
| P61 | O11 | C10 | H2 | 71.5° | 72.9° |
| O11 | P61 | O63 | H37 | 118.0° | 60.7° |
| O60 | P61 | O11 | C10 | 99.1° | 141.4° |
| P61 | O60 | C59 | C02 | 83.5° | 54.3° |
| P61 | O60 | C59 | C47 | 161.5° | 164.8° |
| P61 | O60 | C59 | H28 | 36.7° | 71.8° |
| O60 | P61 | O63 | H37 | 117.8° | 179.9° |
| C13 | O12 | C09 | C10 | 142.9° | 113.4° |
| O12 | C13 | N14 | C15 | 21.6° | 23.4° |
| O12 | C13 | N14 | C42 | 114.1° | 118.3° |
| O12 | C13 | N14 | H3 | 125.6° | 121.0° |
| O12 | C13 | C42 | H3 | 119.0° | 119.9° |
| O12 | C13 | N14 | C36 | 160.2° | 156.6° |
| C13 | O12 | C09 | C08 | 21.0° | 7.4° |
| O12 | C13 | C42 | C08 | 30.4° | 19.2° |
| O12 | C13 | C42 | O43 | 87.2° | 138.1° |
| C13 | O12 | C09 | H17 | 96.9° | 126.4° |
| O12 | C13 | C42 | H25 | 148.7° | 98.9° |
| O12 | C09 | C10 | O11 | 57.4° | 131.8° |
| O12 | C09 | C10 | C08 | 114.7° | 119.2° |
| O12 | C09 | C10 | H17 | 120.7° | 120.4° |
| C09 | O12 | C13 | N14 | 109.1° | 127.2° |
| C09 | O12 | C13 | C42 | 6.4° | 7.7° |
| O12 | C09 | C08 | H17 | 117.4° | 119.0° |
| O12 | C09 | C08 | C42 | 40.4° | 19.0° |
| O12 | C09 | C08 | O07 | 153.7° | 98.2° |
| O12 | C09 | C10 | H1 | 177.2° | 107.0° |
| O12 | C09 | C10 | H2 | 62.3° | 12.5° |
| C09 | O12 | C13 | H3 | 125.2° | 112.1° |
| O12 | C09 | C08 | H16 | 79.7° | 137.7° |
| C20 | C19 | C18 | H6 | 180.0° | 179.9° |
| C19 | C20 | C33 | C34 | 0.9° | 0.3° |
| C20 | C19 | C18 | C17 | 0.2° | 0.1° |
| C20 | C19 | C18 | H5 | 179.8° | 180.0° |
| C19 | C20 | C21 | H7 | 57.0° | 150.0° |
| C19 | C20 | C21 | H8 | 175.0° | 30.0° |
| C19 | C20 | C33 | H22 | 179.1° | 180.0° |
| C33 | C20 | C19 | C18 | 0.5° | 0.1° |
| C20 | C33 | C34 | H22 | 180.0° | 179.7° |
| C20 | C33 | C34 | C17 | 0.6° | 0.6° |
| C33 | C20 | C19 | H6 | 179.4° | 179.9° |
| C33 | C20 | C21 | H7 | 121.8° | 30.1° |
| C33 | C20 | C21 | H8 | 3.8° | 150.0° |
| C20 | C33 | C34 | H23 | 179.4° | 180.0° |
| C19 | C18 | C17 | H5 | 180.0° | 180.0° |
| C19 | C18 | C17 | C34 | 0.5° | 0.2° |
| C19 | C18 | C17 | C16 | 178.6° | 180.0° |
| O11 | C10 | C09 | H1 | 119.7° | 121.3° |
| O11 | C10 | C09 | H2 | 119.7° | 119.2° |
| O11 | C10 | C09 | C08 | 57.3° | 109.0° |
| O11 | C10 | H1 | H2 | 120.8° | 120.3° |
| O11 | C10 | C09 | H17 | 178.1° | 11.4° |
| C33 | C34 | C17 | C18 | 0.1° | 0.6° |
| C33 | C34 | C17 | H23 | 180.0° | 179.4° |
| C33 | C34 | C17 | C16 | 179.1° | 179.7° |
| C10 | C09 | C08 | H17 | 123.8° | 120.4° |
| C10 | C09 | C08 | C42 | 159.2° | 101.7° |
| C10 | C09 | C08 | O07 | 87.5° | 141.1° |
| C09 | C10 | H1 | H2 | 120.8° | 119.2° |
| C10 | C09 | C08 | H16 | 39.1° | 17.0° |
| C18 | C17 | C34 | C16 | 179.2° | 179.7° |
| C18 | C17 | C16 | C15 | 161.7° | 50.0° |
| C18 | C17 | C16 | C35 | 16.5° | 130.0° |
| C17 | C18 | C19 | H6 | 179.8° | 180.0° |
| C18 | C17 | C34 | H23 | 179.9° | 180.0° |
| C34 | C17 | C16 | C15 | 17.4° | 129.7° |
| C34 | C17 | C16 | C35 | 164.4° | 50.3° |
| C34 | C17 | C18 | H5 | 179.5° | 179.7° |
| C17 | C34 | C33 | H22 | 179.4° | 179.7° |
| C17 | C16 | C15 | C35 | 178.6° | 180.0° |
| C17 | C16 | C15 | N14 | 179.2° | 180.0° |
| C17 | C16 | C35 | C36 | 179.4° | 179.9° |
| C17 | C16 | C35 | C40 | 1.1° | 0.0° |
| C17 | C16 | C15 | H4 | 0.8° | 0.3° |
| C16 | C17 | C18 | H5 | 1.3° | 0.0° |
| C16 | C17 | C34 | H23 | 0.9° | 0.3° |
| C16 | C15 | N14 | H4 | 180.0° | 179.7° |
| C16 | C15 | N14 | C13 | 178.4° | 180.0° |
| C16 | C15 | N14 | C36 | 0.1° | 0.0° |
| C15 | C16 | C35 | C36 | 1.0° | 0.0° |
| C15 | C16 | C35 | C40 | 179.5° | 180.0° |
| C15 | N14 | C13 | C36 | 178.2° | 180.0° |
| C15 | N14 | C13 | C42 | 92.4° | 95.0° |
| N14 | C15 | C16 | C35 | 0.6° | 0.0° |
| C15 | N14 | C36 | C35 | 0.7° | 0.0° |
| C15 | N14 | C36 | N37 | 180.0° | 179.9° |
| C15 | N14 | C13 | H3 | 147.2° | 144.3° |
| N14 | C13 | C42 | H3 | 120.9° | 120.5° |
| C13 | N14 | C36 | C35 | 179.1° | 180.0° |
| C13 | N14 | C36 | N37 | 1.6° | 0.1° |
| N14 | C13 | C42 | C08 | 89.8° | 138.8° |
| N14 | C13 | C42 | O43 | 152.7° | 102.3° |
| C13 | N14 | C15 | H4 | 1.6° | 0.3° |
| N14 | C13 | C42 | H25 | 28.5° | 20.7° |
| C42 | C13 | N14 | C36 | 85.7° | 85.0° |
| C13 | C42 | C08 | C09 | 44.7° | 22.6° |
| C13 | C42 | C08 | O43 | 116.7° | 118.8° |
| C13 | C42 | C08 | H25 | 118.2° | 118.0° |
| C13 | C42 | C08 | O07 | 163.5° | 95.4° |
| C13 | C42 | O43 | H25 | 123.6° | 122.5° |
| C13 | C42 | C08 | H16 | 75.8° | 141.8° |
| C13 | C42 | O43 | H35 | 180.0° | 61.4° |
| C16 | C35 | C36 | N14 | 1.0° | 0.0° |
| C16 | C35 | C36 | C40 | 179.6° | 179.9° |
| C16 | C35 | C36 | N37 | 179.6° | 180.0° |
| C16 | C35 | C40 | N41 | 0.1° | 0.1° |
| C16 | C35 | C40 | N39 | 179.3° | 180.0° |
| C35 | C16 | C15 | H4 | 179.4° | 179.7° |
| N14 | C36 | C35 | N37 | 179.4° | 179.9° |
| N14 | C36 | C35 | C40 | 179.3° | 180.0° |
| N14 | C36 | N37 | C38 | 179.6° | 180.0° |
| C36 | N14 | C13 | H3 | 34.7° | 35.7° |
| C36 | N14 | C15 | H4 | 179.9° | 179.7° |
| C09 | C08 | C42 | O07 | 118.8° | 118.0° |
| C09 | C08 | C42 | H16 | 120.5° | 119.2° |
| C09 | C08 | O07 | H16 | 127.0° | 124.0° |
| C09 | C08 | C42 | O43 | 72.1° | 141.4° |
| C09 | C08 | O07 | P06 | 158.6° | 83.5° |
| C08 | C09 | C10 | H1 | 62.4° | 12.3° |
| C08 | C09 | C10 | H2 | 177.0° | 131.7° |
| C09 | C08 | C42 | H25 | 162.9° | 95.4° |
| C36 | C35 | C40 | N41 | 179.6° | 180.0° |
| C36 | C35 | C40 | N39 | 0.2° | 0.0° |
| C35 | C36 | N37 | C38 | 0.3° | 0.1° |
| C40 | C35 | C36 | N37 | 0.0° | 0.1° |
| C35 | C40 | N41 | N39 | 179.4° | 180.0° |
| C35 | C40 | N39 | C38 | 0.1° | 0.0° |
| C35 | C40 | N41 | H29 | 179.4° | 0.0° |
| C35 | C40 | N41 | H30 | 60.6° | 180.0° |
| C36 | N37 | C38 | N39 | 0.6° | 0.0° |
| C36 | N37 | C38 | H24 | 179.5° | 179.9° |
| O60 | C59 | C02 | O01 | 24.2° | 41.7° |
| O60 | C59 | C02 | C47 | 118.6° | 115.4° |
| O60 | C59 | C02 | H28 | 120.5° | 126.7° |
| O60 | C59 | C47 | H28 | 125.2° | 124.4° |
| O60 | C59 | C02 | C03 | 144.5° | 77.9° |
| O60 | C59 | C47 | N48 | 103.1° | 147.1° |
| O60 | C59 | C47 | O46 | 138.2° | 93.9° |
| O60 | C59 | C02 | H12 | 96.0° | 166.3° |
| O60 | C59 | C47 | H26 | 18.0° | 25.7° |
| N41 | C40 | N39 | C38 | 179.4° | 180.0° |
| C40 | N41 | H29 | H30 | 120.0° | 180.0° |
| C40 | N39 | C38 | N37 | 0.4° | 0.0° |
| C40 | N39 | C38 | H24 | 179.6° | 180.0° |
| N39 | C40 | N41 | H29 | 0.0° | 180.0° |
| N39 | C40 | N41 | H30 | 120.0° | 0.0° |
| N37 | C38 | N39 | H24 | 180.0° | 180.0° |
| C42 | C08 | O07 | H16 | 120.7° | 122.3° |
| C08 | C42 | O43 | H25 | 124.7° | 122.7° |
| C42 | C08 | O07 | P06 | 89.0° | 162.7° |
| C08 | C42 | C13 | H3 | 149.4° | 100.7° |
| C42 | C08 | C09 | H17 | 77.0° | 138.0° |
| C08 | C42 | O43 | H35 | 68.3° | 176.2° |
| O07 | C08 | C42 | O43 | 46.7° | 23.4° |
| C08 | O07 | P06 | O05 | 65.9° | 41.1° |
| C08 | O07 | P06 | O45 | 53.8° | 161.1° |
| C08 | O07 | P06 | O44 | 172.2° | 79.8° |
| O07 | C08 | C09 | H17 | 36.3° | 20.8° |
| O07 | C08 | C42 | H25 | 78.4° | 146.6° |
| O43 | C42 | C13 | H3 | 31.8° | 18.2° |
| O43 | C42 | C08 | H16 | 167.4° | 99.4° |
| O01 | C02 | C59 | C03 | 120.4° | 119.6° |
| O01 | C02 | C59 | H12 | 120.1° | 124.6° |
| O01 | C02 | C59 | C47 | 94.4° | 157.0° |
| O01 | C02 | C03 | H12 | 122.7° | 124.1° |
| O01 | C02 | C03 | O46 | 100.3° | 160.3° |
| O01 | C02 | C03 | C04 | 141.5° | 78.6° |
| O01 | C02 | C03 | H13 | 19.9° | 43.6° |
| O01 | C02 | C59 | H28 | 144.6° | 85.1° |
| N55 | C54 | N53 | N56 | 179.6° | 179.4° |
| N55 | C54 | N53 | C52 | 179.9° | 180.0° |
| N55 | C54 | N56 | C57 | 179.8° | 179.7° |
| N55 | C54 | N53 | H31 | 0.1° | 0.6° |
| C54 | N55 | H32 | H33 | 180.0° | 180.0° |
| C02 | C59 | C47 | H28 | 121.3° | 118.1° |
| C59 | C02 | C03 | H12 | 119.4° | 115.6° |
| C02 | C59 | C47 | N48 | 143.3° | 95.4° |
| C02 | C59 | C47 | O46 | 24.7° | 23.6° |
| C59 | C02 | C03 | O46 | 17.6° | 40.1° |
| C59 | C02 | C03 | C04 | 100.6° | 161.1° |
| C59 | C02 | C03 | H13 | 137.8° | 76.7° |
| C02 | C59 | C47 | H26 | 95.5° | 143.2° |
| C59 | C02 | O01 | H34 | 180.0° | 174.2° |
| C47 | C59 | C02 | C03 | 26.0° | 37.4° |
| C59 | C47 | N48 | O46 | 117.2° | 117.6° |
| C59 | C47 | N48 | H26 | 120.7° | 120.5° |
| C59 | C47 | O46 | H26 | 119.9° | 119.1° |
| C59 | C47 | N48 | C52 | 116.5° | 85.9° |
| C59 | C47 | N48 | C49 | 61.0° | 94.0° |
| C59 | C47 | O46 | C03 | 13.3° | 1.4° |
| C47 | C59 | C02 | H12 | 145.4° | 78.3° |
| C54 | N53 | C52 | H31 | 180.0° | 179.4° |
| N53 | C54 | N56 | C57 | 0.6° | 0.9° |
| C54 | N53 | C52 | N48 | 179.7° | 179.9° |
| C54 | N53 | C52 | C51 | 0.3° | 0.3° |
| N53 | C54 | N55 | H32 | 179.6° | 0.0° |
| N53 | C54 | N55 | H33 | 0.4° | 180.0° |
| N56 | C54 | N53 | C52 | 0.4° | 0.6° |
| C54 | N56 | C57 | C51 | 0.6° | 0.7° |
| C54 | N56 | C57 | O58 | 179.6° | 179.2° |
| N56 | C54 | N53 | H31 | 179.6° | 179.9° |
| N56 | C54 | N55 | H32 | 0.0° | 179.4° |
| N56 | C54 | N55 | H33 | 180.0° | 0.6° |
| C02 | C03 | O46 | C47 | 2.5° | 26.3° |
| C02 | C03 | O46 | C04 | 117.3° | 120.5° |
| C02 | C03 | O46 | H13 | 121.0° | 116.5° |
| C02 | C03 | C04 | H13 | 121.9° | 121.2° |
| C02 | C03 | C04 | O05 | 64.6° | 75.1° |
| C02 | C03 | C04 | H14 | 175.4° | 44.7° |
| C02 | C03 | C04 | H15 | 55.4° | 165.0° |
| C03 | C02 | C59 | H28 | 95.0° | 155.3° |
| C03 | C02 | O01 | H34 | 63.1° | 61.4° |
| N53 | C52 | N48 | C47 | 1.9° | 0.0° |
| N53 | C52 | N48 | C51 | 179.5° | 179.7° |
| N53 | C52 | C51 | C57 | 0.3° | 0.2° |
| N53 | C52 | N48 | C49 | 179.9° | 179.9° |
| N53 | C52 | C51 | N50 | 179.9° | 179.9° |
| O07 | P06 | O05 | O45 | 121.2° | 120.0° |
| O07 | P06 | O05 | O44 | 122.6° | 120.6° |
| O07 | P06 | O45 | O44 | 120.3° | 119.4° |
| O07 | P06 | O05 | C04 | 85.0° | 155.5° |
| P06 | O07 | C08 | H16 | 31.6° | 40.5° |
| O07 | P06 | O44 | H36 | 120.1° | 180.0° |
| N56 | C57 | C51 | C52 | 0.5° | 0.4° |
| N56 | C57 | C51 | O58 | 179.7° | 180.0° |
| N56 | C57 | C51 | N50 | 179.8° | 180.0° |
| N48 | C47 | O46 | H26 | 122.2° | 122.4° |
| C47 | N48 | C52 | C49 | 178.0° | 180.0° |
| C47 | N48 | C52 | C51 | 178.7° | 179.7° |
| N48 | C47 | O46 | C03 | 131.2° | 119.9° |
| C47 | N48 | C49 | N50 | 178.4° | 179.9° |
| C47 | N48 | C49 | H27 | 1.5° | 0.3° |
| N48 | C47 | C59 | H28 | 22.1° | 22.7° |
| O46 | C47 | N48 | C52 | 126.3° | 156.4° |
| O46 | C47 | N48 | C49 | 56.1° | 23.6° |
| C47 | O46 | C03 | C04 | 114.8° | 146.8° |
| C47 | O46 | C03 | H13 | 123.5° | 90.3° |
| O46 | C47 | C59 | H28 | 96.6° | 141.8° |
| N48 | C52 | C51 | C57 | 179.8° | 179.9° |
| N48 | C52 | C51 | N50 | 0.4° | 0.3° |
| C52 | N48 | C49 | N50 | 0.7° | 0.0° |
| C52 | N48 | C47 | H26 | 4.2° | 34.6° |
| C52 | N48 | C49 | H27 | 179.3° | 179.7° |
| N48 | C52 | N53 | H31 | 0.3° | 0.6° |
| C52 | C51 | C57 | N50 | 179.7° | 179.6° |
| C52 | C51 | C57 | O58 | 179.8° | 179.6° |
| C51 | C52 | N48 | C49 | 0.7° | 0.2° |
| C52 | C51 | N50 | C49 | 0.0° | 0.3° |
| C51 | C52 | N53 | H31 | 179.7° | 179.7° |
| C57 | C51 | N50 | C49 | 179.7° | 180.0° |
| O58 | C57 | C51 | N50 | 0.0° | 0.1° |
| N48 | C49 | N50 | C51 | 0.4° | 0.2° |
| N48 | C49 | N50 | H27 | 180.0° | 179.8° |
| C49 | N48 | C47 | H26 | 178.3° | 145.5° |
| C51 | N50 | C49 | H27 | 179.5° | 180.0° |
| O46 | C03 | C04 | H13 | 121.2° | 122.1° |
| O46 | C03 | C04 | O05 | 52.3° | 168.2° |
| O46 | C03 | C02 | H12 | 137.1° | 75.5° |
| O46 | C03 | C04 | H14 | 67.8° | 71.9° |
| O46 | C03 | C04 | H15 | 172.3° | 48.3° |
| C03 | O46 | C47 | H26 | 106.6° | 117.7° |
| C03 | C04 | O05 | P06 | 151.5° | 82.6° |
| C03 | C04 | O05 | H14 | 120.0° | 120.4° |
| C03 | C04 | O05 | H15 | 120.0° | 120.1° |
| C04 | C03 | C02 | H12 | 18.9° | 45.5° |
| C03 | C04 | H14 | H15 | 120.0° | 120.6° |
| O05 | P06 | O45 | O44 | 117.2° | 120.0° |
| P06 | O05 | C04 | H14 | 88.5° | 157.0° |
| P06 | O05 | C04 | H15 | 31.5° | 37.6° |
| O05 | P06 | O44 | H36 | 116.2° | 58.9° |
| O45 | P06 | O05 | C04 | 153.7° | 84.5° |
| O45 | P06 | O44 | H36 | 0.0° | 60.7° |
| O44 | P06 | O05 | C04 | 37.6° | 34.9° |
| O05 | C04 | C03 | H13 | 173.5° | 46.1° |
| O05 | C04 | H14 | H15 | 120.0° | 119.6° |
| H1 | C10 | C09 | H17 | 62.1° | 132.7° |
| H2 | C10 | C09 | H17 | 58.4° | 107.8° |
| H3 | C13 | C42 | H25 | 92.3° | 141.2° |
| H5 | C18 | C19 | H6 | 0.1° | 0.1° |
| H9 | C24 | C25 | H10 | 0.8° | 0.1° |
| H10 | C25 | C26 | H11 | 0.2° | 0.1° |
| H12 | C02 | C03 | H13 | 102.8° | 167.8° |
| H12 | C02 | C59 | H28 | 24.5° | 39.6° |
| H12 | C02 | O01 | H34 | 59.7° | 62.0° |
| H13 | C03 | C04 | H14 | 53.5° | 165.9° |
| H13 | C03 | C04 | H15 | 66.5° | 73.8° |
| H16 | C08 | C09 | H17 | 162.9° | 103.3° |
| H16 | C08 | C42 | H25 | 42.3° | 23.8° |
| H18 | C29 | C30 | H19 | 0.5° | 0.0° |
| H19 | C30 | C31 | H20 | 0.1° | 0.0° |
| H20 | C31 | C32 | H21 | 0.7° | 0.2° |
| H22 | C33 | C34 | H23 | 0.6° | 0.3° |
| H25 | C42 | O43 | H35 | 56.4° | 61.1° |
| H26 | C47 | C59 | H28 | 143.2° | 98.7° |
