Y75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N35 | C34 | sing | 1.47Å | 1.48Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C32 | C06 | sing | 1.52Å | 1.58Å | |
| C06 | C05 | sing | 1.50Å | 1.60Å | |
| C06 | N07 | sing | 1.50Å | 1.52Å | |
| C02 | C03 | sing | 1.51Å | 1.58Å | |
| C02 | N42 | sing | 1.37Å | 1.43Å | |
| C43 | N42 | sing | 1.47Å | 1.45Å | |
| N04 | C05 | sing | 1.36Å | 1.43Å | |
| N04 | C03 | sing | 1.49Å | 1.50Å | |
| C05 | O36 | doub | 1.22Å | 1.19Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C37 | C03 | sing | 1.53Å | 1.58Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| N42 | C44 | sing | 1.48Å | 1.50Å | |
| C40 | C39 | sing | 1.53Å | 1.55Å | |
| C40 | N41 | sing | 1.47Å | 1.47Å | |
| N07 | C08 | sing | 1.49Å | 1.50Å | |
| C47 | N48 | sing | 1.37Å | 1.41Å | Aromatic |
| C47 | C46 | doub | 1.34Å | 1.37Å | Aromatic |
| N48 | C49 | sing | 1.38Å | 1.41Å | Aromatic |
| C44 | C45 | sing | 1.52Å | 1.61Å | |
| C44 | C55 | sing | 1.50Å | 1.58Å | |
| C08 | C09 | sing | 1.50Å | 1.51Å | |
| C46 | C45 | sing | 1.51Å | 1.52Å | |
| C46 | C50 | sing | 1.46Å | 1.46Å | Aromatic |
| C49 | C50 | doub | 1.41Å | 1.43Å | Aromatic |
| C49 | C54 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | N27 | sing | 1.36Å | 1.41Å | |
| C55 | O56 | doub | 1.22Å | 1.21Å | |
| C31 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| N27 | C26 | sing | 1.48Å | 1.49Å | |
| C09 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C50 | C51 | sing | 1.40Å | 1.40Å | Aromatic |
| C54 | C53 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.82Å | |
| C10 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C51 | C52 | doub | 1.37Å | 1.37Å | Aromatic |
| C53 | C52 | sing | 1.39Å | 1.41Å | Aromatic |
| S11 | C12 | sing | 1.76Å | 1.80Å | |
| C29 | N28 | sing | 1.32Å | 1.35Å | Aromatic |
| N23 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| N23 | C21 | sing | 1.33Å | 1.38Å | Aromatic |
| N22 | C21 | sing | 1.39Å | 1.39Å | |
| C25 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C24 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.53Å | |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | CL14 | sing | 1.74Å | 1.73Å | |
| C13 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.08Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.10Å | |
| C26 | H11 | sing | 1.10Å | 1.10Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C30 | H13 | sing | 1.08Å | 1.08Å | |
| C31 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | 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 | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C40 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C43 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.11Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C47 | H35 | sing | 1.08Å | 1.08Å | |
| C51 | H36 | sing | 1.08Å | 1.08Å | |
| C52 | H37 | sing | 1.08Å | 1.08Å | |
| C53 | H38 | sing | 1.08Å | 1.08Å | |
| C54 | H39 | sing | 1.08Å | 1.08Å | |
| N04 | H40 | sing | 0.97Å | 1.00Å | |
| N07 | H41 | sing | 1.07Å | 1.00Å | |
| N22 | H43 | sing | 0.97Å | 1.00Å | |
| N22 | H44 | sing | 0.97Å | 1.00Å | |
| N27 | H45 | sing | 0.97Å | 1.00Å | |
| N35 | H46 | sing | 1.01Å | 1.00Å | |
| N35 | H47 | sing | 1.01Å | 1.00Å | |
| N41 | H49 | sing | 1.01Å | 1.00Å | |
| N41 | H50 | sing | 1.01Å | 1.00Å | |
| N48 | H52 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N35 | C34 | C33 | 111.9° | 109.4° |
| N35 | C34 | H19 | 108.9° | 109.5° |
| N35 | C34 | H20 | 108.9° | 109.5° |
| C34 | N35 | H46 | 109.5° | 111.0° |
| C34 | N35 | H47 | 109.5° | 111.0° |
| C34 | C33 | C32 | 116.3° | 109.5° |
| C34 | C33 | H17 | 107.7° | 109.5° |
| C34 | C33 | H18 | 107.7° | 109.5° |
| C33 | C34 | H19 | 108.8° | 109.5° |
| C33 | C34 | H20 | 108.8° | 109.5° |
| C33 | C32 | C06 | 114.3° | 109.5° |
| C33 | C32 | H15 | 108.3° | 109.5° |
| C33 | C32 | H16 | 108.2° | 109.5° |
| C32 | C33 | H17 | 107.8° | 109.5° |
| C32 | C33 | H18 | 107.7° | 109.5° |
| O01 | C02 | C03 | 119.8° | 118.8° |
| O01 | C02 | N42 | 119.8° | 121.0° |
| C32 | C06 | C05 | 109.9° | 112.0° |
| C32 | C06 | N07 | 112.9° | 108.0° |
| C32 | C06 | H2 | 107.5° | 110.5° |
| C06 | C32 | H15 | 108.2° | 109.5° |
| C06 | C32 | H16 | 108.3° | 109.5° |
| C05 | C06 | N07 | 110.9° | 108.1° |
| C06 | C05 | N04 | 120.1° | 122.2° |
| C06 | C05 | O36 | 118.9° | 119.1° |
| C05 | C06 | H2 | 107.2° | 110.4° |
| C06 | N07 | C08 | 118.8° | 106.4° |
| N07 | C06 | H2 | 108.1° | 107.7° |
| C06 | N07 | H41 | 107.1° | 100.5° |
| C03 | C02 | N42 | 120.4° | 120.1° |
| C02 | C03 | N04 | 109.7° | 108.9° |
| C02 | C03 | C37 | 111.1° | 110.1° |
| C02 | C03 | H1 | 107.8° | 110.6° |
| C02 | N42 | C43 | 122.7° | 122.9° |
| C02 | N42 | C44 | 119.7° | 117.0° |
| C43 | N42 | C44 | 117.6° | 120.1° |
| N42 | C43 | H29 | 109.5° | 109.5° |
| N42 | C43 | H30 | 109.4° | 109.5° |
| N42 | C43 | H31 | 109.5° | 109.4° |
| C05 | N04 | C03 | 124.6° | 116.0° |
| N04 | C05 | O36 | 121.1° | 118.7° |
| C05 | N04 | H40 | 117.7° | 124.5° |
| N04 | C03 | C37 | 111.4° | 108.3° |
| N04 | C03 | H1 | 108.8° | 108.8° |
| C03 | N04 | H40 | 117.7° | 119.5° |
| C38 | C37 | C03 | 116.7° | 109.5° |
| C37 | C38 | C39 | 115.6° | 109.5° |
| C38 | C37 | H21 | 107.6° | 109.5° |
| C38 | C37 | H22 | 107.7° | 109.5° |
| C37 | C38 | H23 | 107.9° | 109.5° |
| C37 | C38 | H24 | 107.9° | 109.4° |
| C37 | C03 | H1 | 107.9° | 110.1° |
| C03 | C37 | H21 | 107.7° | 109.5° |
| C03 | C37 | H22 | 107.6° | 109.4° |
| C38 | C39 | C40 | 115.2° | 109.5° |
| C39 | C38 | H23 | 107.9° | 109.5° |
| C39 | C38 | H24 | 107.9° | 109.5° |
| C38 | C39 | H25 | 108.0° | 109.4° |
| C38 | C39 | H26 | 108.0° | 109.4° |
| N42 | C44 | C45 | 111.5° | 111.7° |
| N42 | C44 | C55 | 113.0° | 110.0° |
| N42 | C44 | H32 | 106.9° | 107.2° |
| C39 | C40 | N41 | 111.6° | 109.5° |
| C40 | C39 | H25 | 108.0° | 109.5° |
| C40 | C39 | H26 | 108.0° | 109.5° |
| C39 | C40 | H27 | 108.9° | 109.4° |
| C39 | C40 | H28 | 108.9° | 109.4° |
| N41 | C40 | H27 | 109.0° | 109.5° |
| N41 | C40 | H28 | 108.9° | 109.4° |
| C40 | N41 | H49 | 109.5° | 111.0° |
| C40 | N41 | H50 | 109.5° | 111.0° |
| N07 | C08 | C09 | 118.0° | 109.6° |
| N07 | C08 | H3 | 107.3° | 108.8° |
| N07 | C08 | H4 | 107.3° | 108.3° |
| C08 | N07 | H41 | 107.1° | 102.3° |
| N48 | C47 | C46 | 112.3° | 109.9° |
| C47 | N48 | C49 | 107.4° | 109.9° |
| N48 | C47 | H35 | 123.9° | 125.0° |
| C47 | N48 | H52 | 126.3° | 125.1° |
| C47 | C46 | C45 | 127.0° | 126.5° |
| C47 | C46 | C50 | 105.0° | 107.0° |
| C46 | C47 | H35 | 123.9° | 125.1° |
| N48 | C49 | C50 | 106.4° | 107.1° |
| N48 | C49 | C54 | 130.1° | 133.5° |
| C49 | N48 | H52 | 126.3° | 125.0° |
| C45 | C44 | C55 | 112.9° | 112.6° |
| C44 | C45 | C46 | 119.7° | 109.5° |
| C45 | C44 | H32 | 105.8° | 107.5° |
| C44 | C45 | H33 | 106.9° | 109.5° |
| C44 | C45 | H34 | 106.8° | 109.4° |
| C44 | C55 | N27 | 121.6° | 122.4° |
| C44 | C55 | O56 | 118.7° | 119.1° |
| C55 | C44 | H32 | 106.1° | 107.6° |
| C08 | C09 | C31 | 122.1° | 120.0° |
| C08 | C09 | C10 | 121.3° | 121.1° |
| C09 | C08 | H3 | 107.3° | 109.8° |
| C09 | C08 | H4 | 107.3° | 109.8° |
| C45 | C46 | C50 | 127.9° | 126.5° |
| C46 | C45 | H33 | 106.8° | 109.5° |
| C46 | C45 | H34 | 106.9° | 109.5° |
| C46 | C50 | C49 | 108.8° | 106.0° |
| C46 | C50 | C51 | 136.5° | 134.1° |
| C50 | C49 | C54 | 123.5° | 119.3° |
| C49 | C50 | C51 | 114.7° | 119.9° |
| C49 | C54 | C53 | 118.7° | 119.8° |
| C49 | C54 | H39 | 120.6° | 120.1° |
| N27 | C55 | O56 | 119.7° | 118.5° |
| C55 | N27 | C26 | 123.5° | 115.3° |
| C55 | N27 | H45 | 118.2° | 124.3° |
| C09 | C31 | C30 | 121.2° | 118.8° |
| C31 | C09 | C10 | 116.6° | 118.9° |
| C09 | C31 | H14 | 119.4° | 120.6° |
| C31 | C30 | C29 | 117.7° | 119.2° |
| C31 | C30 | H13 | 121.1° | 120.5° |
| C30 | C31 | H14 | 119.4° | 120.6° |
| N27 | C26 | C25 | 113.5° | 108.8° |
| N27 | C26 | H10 | 108.5° | 110.2° |
| N27 | C26 | H11 | 108.4° | 108.3° |
| C26 | N27 | H45 | 118.2° | 120.4° |
| C09 | C10 | S11 | 121.5° | 119.7° |
| C09 | C10 | N28 | 123.2° | 120.4° |
| C50 | C51 | C52 | 122.9° | 119.8° |
| C50 | C51 | H36 | 118.6° | 120.1° |
| C54 | C53 | C52 | 119.7° | 120.7° |
| C54 | C53 | H38 | 120.2° | 119.7° |
| C53 | C54 | H39 | 120.7° | 120.1° |
| C26 | C25 | C12 | 118.5° | 118.1° |
| C26 | C25 | C17 | 120.6° | 122.4° |
| C25 | C26 | H10 | 108.5° | 112.0° |
| C25 | C26 | H11 | 108.5° | 108.8° |
| C30 | C29 | N28 | 122.6° | 120.7° |
| C30 | C29 | H12 | 118.7° | 119.6° |
| C29 | C30 | H13 | 121.1° | 120.3° |
| S11 | C10 | N28 | 115.3° | 119.9° |
| C10 | S11 | C12 | 114.7° | 103.8° |
| C10 | N28 | C29 | 118.7° | 122.0° |
| C51 | C52 | C53 | 120.6° | 120.5° |
| C52 | C51 | H36 | 118.6° | 120.1° |
| C51 | C52 | H37 | 119.7° | 119.7° |
| C53 | C52 | H37 | 119.7° | 119.8° |
| C52 | C53 | H38 | 120.2° | 119.7° |
| S11 | C12 | C25 | 123.0° | 119.2° |
| S11 | C12 | C13 | 117.2° | 120.6° |
| N28 | C29 | H12 | 118.7° | 119.7° |
| C24 | N23 | C21 | 119.1° | 121.7° |
| N23 | C24 | C18 | 128.6° | 120.7° |
| N23 | C24 | H9 | 115.7° | 119.6° |
| N23 | C21 | N22 | 119.5° | 119.6° |
| N23 | C21 | C20 | 117.6° | 120.8° |
| N22 | C21 | C20 | 122.9° | 119.5° |
| C21 | N22 | H43 | 109.5° | 120.0° |
| C21 | N22 | H44 | 109.5° | 120.0° |
| C12 | C25 | C17 | 120.9° | 119.5° |
| C25 | C12 | C13 | 119.8° | 120.2° |
| C25 | C17 | C18 | 127.5° | 121.5° |
| C25 | C17 | C16 | 115.6° | 119.9° |
| C24 | C18 | C19 | 110.0° | 119.1° |
| C24 | C18 | C17 | 125.8° | 120.5° |
| C18 | C24 | H9 | 115.7° | 119.7° |
| C21 | C20 | C19 | 120.3° | 119.2° |
| C21 | C20 | H8 | 119.9° | 120.4° |
| C12 | C13 | CL14 | 120.4° | 120.3° |
| C12 | C13 | C15 | 121.4° | 120.0° |
| C19 | C18 | C17 | 124.2° | 120.5° |
| C18 | C19 | C20 | 124.5° | 118.4° |
| C18 | C19 | H7 | 117.8° | 120.8° |
| C18 | C17 | C16 | 116.9° | 118.7° |
| C20 | C19 | H7 | 117.8° | 120.9° |
| C19 | C20 | H8 | 119.9° | 120.3° |
| C17 | C16 | C15 | 123.8° | 120.3° |
| C17 | C16 | H6 | 118.1° | 119.7° |
| CL14 | C13 | C15 | 118.2° | 119.7° |
| C13 | C15 | C16 | 118.6° | 120.1° |
| C13 | C15 | H5 | 120.7° | 119.8° |
| C16 | C15 | H5 | 120.7° | 120.1° |
| C15 | C16 | H6 | 118.1° | 120.0° |
| H3 | C08 | H4 | 109.5° | 110.5° |
| H10 | C26 | H11 | 109.5° | 108.7° |
| H15 | C32 | H16 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H19 | C34 | H20 | 109.5° | 109.5° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.4° |
| H25 | C39 | H26 | 109.5° | 109.5° |
| H27 | C40 | H28 | 109.5° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H29 | C43 | H31 | 109.5° | 109.5° |
| H30 | C43 | H31 | 109.5° | 109.5° |
| H33 | C45 | H34 | 109.5° | 109.4° |
| H43 | N22 | H44 | 109.4° | 120.0° |
| H46 | N35 | H47 | 109.5° | 111.0° |
| H49 | N41 | H50 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | C33 | H19 | 120.4° | 120.0° |
| N35 | C34 | C33 | H20 | 120.4° | 120.0° |
| N35 | C34 | C33 | C32 | 135.6° | 180.0° |
| N35 | C34 | C33 | H17 | 14.6° | 60.0° |
| N35 | C34 | C33 | H18 | 103.4° | 60.0° |
| N35 | C34 | H19 | H20 | 118.9° | 120.0° |
| C34 | N35 | H46 | H47 | 120.0° | 124.0° |
| C34 | C33 | C32 | H17 | 121.0° | 120.0° |
| C34 | C33 | C32 | H18 | 121.0° | 120.0° |
| C34 | C33 | C32 | C06 | 94.7° | 180.0° |
| C34 | C33 | C32 | H15 | 144.6° | 60.0° |
| C34 | C33 | C32 | H16 | 26.1° | 60.0° |
| C34 | C33 | H17 | H18 | 116.9° | 120.0° |
| C33 | C34 | H19 | H20 | 118.9° | 120.0° |
| C33 | C34 | N35 | H46 | 180.0° | 56.0° |
| C33 | C34 | N35 | H47 | 60.0° | 180.0° |
| C33 | C32 | C06 | H15 | 120.7° | 120.0° |
| C33 | C32 | C06 | H16 | 120.7° | 120.0° |
| C33 | C32 | C06 | C05 | 50.1° | 175.0° |
| C33 | C32 | C06 | N07 | 174.6° | 66.1° |
| C33 | C32 | C06 | H2 | 66.2° | 51.5° |
| C33 | C32 | H15 | H16 | 117.8° | 120.0° |
| C32 | C33 | H17 | H18 | 116.9° | 120.0° |
| C32 | C33 | C34 | H19 | 104.0° | 60.0° |
| C32 | C33 | C34 | H20 | 15.2° | 60.0° |
| O01 | C02 | C03 | N42 | 179.5° | 178.5° |
| O01 | C02 | N42 | C43 | 0.5° | 167.9° |
| O01 | C02 | C03 | N04 | 55.0° | 9.9° |
| O01 | C02 | C03 | C37 | 68.7° | 108.6° |
| O01 | C02 | N42 | C44 | 179.9° | 12.5° |
| O01 | C02 | C03 | H1 | 173.3° | 129.5° |
| C32 | C06 | C05 | N07 | 125.6° | 118.8° |
| C32 | C06 | C05 | H2 | 116.5° | 123.6° |
| C32 | C06 | N07 | H2 | 118.8° | 119.4° |
| C32 | C06 | C05 | N04 | 137.3° | 12.7° |
| C32 | C06 | C05 | O36 | 42.2° | 167.7° |
| C32 | C06 | N07 | C08 | 90.6° | 153.5° |
| C06 | C32 | H15 | H16 | 117.8° | 120.0° |
| C06 | C32 | C33 | H17 | 26.3° | 60.0° |
| C06 | C32 | C33 | H18 | 144.3° | 60.0° |
| C32 | C06 | N07 | H41 | 30.7° | 100.1° |
| C05 | C06 | N07 | H2 | 117.3° | 119.3° |
| C06 | C05 | N04 | O36 | 179.5° | 179.6° |
| C06 | C05 | N04 | C03 | 180.0° | 178.1° |
| C05 | C06 | N07 | C08 | 33.3° | 85.1° |
| C05 | C06 | C32 | H15 | 70.6° | 65.0° |
| C05 | C06 | C32 | H16 | 170.8° | 55.0° |
| C06 | C05 | N04 | H40 | 0.0° | 3.5° |
| C05 | C06 | N07 | H41 | 154.6° | 21.2° |
| N07 | C06 | C05 | N04 | 97.1° | 131.5° |
| N07 | C06 | C05 | O36 | 83.4° | 48.9° |
| C06 | N07 | C08 | H41 | 121.3° | 105.0° |
| C06 | N07 | C08 | C09 | 82.4° | 171.9° |
| C06 | N07 | C08 | H3 | 38.8° | 68.0° |
| C06 | N07 | C08 | H4 | 156.3° | 52.1° |
| N07 | C06 | C32 | H15 | 53.8° | 53.9° |
| N07 | C06 | C32 | H16 | 64.7° | 173.9° |
| C03 | C02 | N42 | C43 | 180.0° | 10.6° |
| C02 | C03 | N04 | C05 | 49.8° | 56.6° |
| C02 | C03 | N04 | C37 | 123.5° | 119.7° |
| C02 | C03 | N04 | H1 | 117.7° | 120.6° |
| C02 | C03 | C37 | C38 | 152.5° | 176.8° |
| C02 | C03 | C37 | H1 | 117.9° | 122.2° |
| C03 | C02 | N42 | C44 | 0.7° | 169.0° |
| C02 | C03 | C37 | H21 | 86.4° | 63.2° |
| C02 | C03 | C37 | H22 | 31.5° | 56.8° |
| C02 | C03 | N04 | H40 | 130.2° | 124.9° |
| C02 | N42 | C43 | C44 | 179.3° | 179.6° |
| N42 | C02 | C03 | N04 | 124.5° | 168.6° |
| N42 | C02 | C03 | C37 | 111.8° | 72.8° |
| C02 | N42 | C44 | C45 | 102.2° | 53.1° |
| C02 | N42 | C44 | C55 | 129.4° | 72.7° |
| N42 | C02 | C03 | H1 | 6.2° | 49.1° |
| C02 | N42 | C43 | H29 | 180.0° | 0.0° |
| C02 | N42 | C43 | H30 | 60.0° | 120.0° |
| C02 | N42 | C43 | H31 | 60.0° | 120.0° |
| C02 | N42 | C44 | H32 | 13.0° | 170.6° |
| C43 | N42 | C44 | C45 | 77.2° | 126.5° |
| C43 | N42 | C44 | C55 | 51.3° | 107.7° |
| N42 | C43 | H29 | H30 | 120.0° | 120.0° |
| N42 | C43 | H29 | H31 | 120.0° | 120.0° |
| N42 | C43 | H30 | H31 | 120.0° | 120.0° |
| C43 | N42 | C44 | H32 | 167.6° | 9.0° |
| C05 | N04 | C03 | H40 | 180.0° | 178.5° |
| C05 | N04 | C03 | C37 | 173.3° | 176.3° |
| C05 | N04 | C03 | H1 | 67.9° | 64.0° |
| N04 | C05 | C06 | H2 | 20.8° | 110.9° |
| C03 | N04 | C05 | O36 | 0.5° | 2.3° |
| N04 | C03 | C37 | C38 | 29.8° | 64.2° |
| N04 | C03 | C37 | H1 | 119.4° | 118.8° |
| N04 | C03 | C37 | H21 | 150.9° | 55.8° |
| N04 | C03 | C37 | H22 | 91.2° | 175.8° |
| O36 | C05 | C06 | H2 | 158.7° | 68.7° |
| O36 | C05 | N04 | H40 | 179.5° | 176.1° |
| C38 | C37 | C03 | H21 | 121.0° | 120.0° |
| C38 | C37 | C03 | H22 | 121.0° | 120.0° |
| C37 | C38 | C39 | H23 | 120.9° | 120.1° |
| C37 | C38 | C39 | H24 | 120.9° | 120.0° |
| C37 | C38 | C39 | C40 | 110.3° | 175.9° |
| C38 | C37 | C03 | H1 | 89.5° | 54.6° |
| C38 | C37 | H21 | H22 | 116.7° | 120.0° |
| C37 | C38 | H23 | H24 | 117.2° | 120.0° |
| C37 | C38 | C39 | H25 | 10.6° | 55.9° |
| C37 | C38 | C39 | H26 | 128.9° | 64.1° |
| C03 | C37 | C38 | C39 | 113.8° | 178.9° |
| C03 | C37 | H21 | H22 | 116.7° | 120.0° |
| C03 | C37 | C38 | H23 | 7.1° | 58.8° |
| C03 | C37 | C38 | H24 | 125.4° | 61.1° |
| C37 | C03 | N04 | H40 | 6.7° | 5.2° |
| C38 | C39 | C40 | H25 | 120.9° | 120.0° |
| C38 | C39 | C40 | H26 | 120.8° | 120.0° |
| C38 | C39 | C40 | N41 | 144.5° | 180.0° |
| C39 | C38 | C37 | H21 | 7.3° | 61.1° |
| C39 | C38 | C37 | H22 | 125.2° | 58.9° |
| C39 | C38 | H23 | H24 | 117.2° | 120.0° |
| C38 | C39 | H25 | H26 | 117.4° | 119.9° |
| C38 | C39 | C40 | H27 | 24.2° | 60.0° |
| C38 | C39 | C40 | H28 | 95.2° | 60.0° |
| N42 | C44 | C45 | C55 | 128.5° | 124.3° |
| N42 | C44 | C45 | H32 | 115.9° | 117.3° |
| N42 | C44 | C55 | H32 | 116.9° | 116.5° |
| N42 | C44 | C45 | C46 | 76.2° | 170.7° |
| N42 | C44 | C55 | N27 | 75.2° | 104.3° |
| N42 | C44 | C55 | O56 | 105.3° | 76.0° |
| C44 | N42 | C43 | H29 | 0.7° | 179.6° |
| C44 | N42 | C43 | H30 | 119.3° | 59.6° |
| C44 | N42 | C43 | H31 | 120.7° | 60.4° |
| N42 | C44 | C45 | H33 | 45.3° | 50.6° |
| N42 | C44 | C45 | H34 | 162.4° | 69.3° |
| C39 | C40 | N41 | H27 | 120.3° | 120.0° |
| C39 | C40 | N41 | H28 | 120.3° | 119.9° |
| C40 | C39 | C38 | H23 | 128.9° | 64.1° |
| C40 | C39 | C38 | H24 | 10.6° | 55.9° |
| C40 | C39 | H25 | H26 | 117.4° | 120.1° |
| C39 | C40 | H27 | H28 | 119.1° | 120.0° |
| C39 | C40 | N41 | H49 | 180.0° | 180.0° |
| C39 | C40 | N41 | H50 | 60.0° | 56.0° |
| N41 | C40 | C39 | H25 | 94.7° | 60.0° |
| N41 | C40 | C39 | H26 | 23.6° | 60.0° |
| N41 | C40 | H27 | H28 | 119.0° | 120.0° |
| C40 | N41 | H49 | H50 | 120.0° | 124.0° |
| N07 | C08 | C09 | H3 | 121.2° | 119.5° |
| N07 | C08 | C09 | H4 | 121.2° | 118.8° |
| N07 | C08 | C09 | C31 | 16.5° | 121.8° |
| N07 | C08 | C09 | C10 | 162.8° | 58.0° |
| C08 | N07 | C06 | H2 | 150.6° | 34.2° |
| N07 | C08 | H3 | H4 | 116.1° | 118.7° |
| N48 | C47 | C46 | H35 | 180.0° | 180.0° |
| C47 | N48 | C49 | H52 | 180.0° | 179.9° |
| N48 | C47 | C46 | C45 | 179.7° | 180.0° |
| N48 | C47 | C46 | C50 | 0.3° | 0.2° |
| C47 | N48 | C49 | C50 | 0.1° | 0.0° |
| C47 | N48 | C49 | C54 | 180.0° | 179.8° |
| C46 | C47 | N48 | C49 | 0.2° | 0.1° |
| C47 | C46 | C45 | C44 | 98.6° | 100.6° |
| C47 | C46 | C45 | C50 | 179.3° | 179.8° |
| C47 | C46 | C50 | C49 | 0.2° | 0.2° |
| C47 | C46 | C50 | C51 | 179.9° | 179.8° |
| C47 | C46 | C45 | H33 | 22.9° | 139.4° |
| C47 | C46 | C45 | H34 | 140.0° | 19.4° |
| C46 | C47 | N48 | H52 | 179.7° | 180.0° |
| N48 | C49 | C50 | C46 | 0.1° | 0.1° |
| N48 | C49 | C50 | C54 | 179.9° | 179.8° |
| N48 | C49 | C50 | C51 | 180.0° | 179.8° |
| N48 | C49 | C54 | C53 | 180.0° | 179.8° |
| C49 | N48 | C47 | H35 | 179.8° | 179.9° |
| N48 | C49 | C54 | H39 | 0.0° | 0.3° |
| C45 | C44 | C55 | H32 | 115.4° | 118.3° |
| C44 | C45 | C46 | H33 | 121.4° | 120.0° |
| C44 | C45 | C46 | H34 | 121.4° | 120.0° |
| C44 | C45 | C46 | C50 | 80.7° | 79.2° |
| C45 | C44 | C55 | N27 | 157.1° | 21.0° |
| C45 | C44 | C55 | O56 | 22.4° | 158.7° |
| C44 | C45 | H33 | H34 | 115.3° | 120.0° |
| C55 | C44 | C45 | C46 | 155.3° | 65.0° |
| C44 | C55 | N27 | O56 | 179.6° | 179.7° |
| C44 | C55 | N27 | C26 | 179.4° | 178.2° |
| C55 | C44 | C45 | H33 | 83.3° | 175.0° |
| C55 | C44 | C45 | H34 | 33.8° | 55.0° |
| C44 | C55 | N27 | H45 | 0.7° | 2.2° |
| C08 | C09 | C31 | C10 | 179.3° | 179.8° |
| C08 | C09 | C31 | C30 | 179.6° | 179.0° |
| C08 | C09 | C10 | S11 | 0.7° | 1.3° |
| C08 | C09 | C10 | N28 | 179.8° | 178.7° |
| C09 | C08 | H3 | H4 | 116.2° | 121.3° |
| C08 | C09 | C31 | H14 | 0.4° | 0.8° |
| C09 | C08 | N07 | H41 | 156.2° | 83.1° |
| C45 | C46 | C50 | C49 | 179.6° | 180.0° |
| C45 | C46 | C50 | C51 | 0.5° | 0.0° |
| C46 | C45 | C44 | H32 | 39.7° | 53.4° |
| C46 | C45 | H33 | H34 | 115.4° | 120.0° |
| C45 | C46 | C47 | H35 | 0.3° | 0.0° |
| C46 | C50 | C49 | C51 | 179.9° | 180.0° |
| C46 | C50 | C49 | C54 | 179.8° | 179.9° |
| C46 | C50 | C51 | C52 | 179.9° | 180.0° |
| C50 | C46 | C45 | H33 | 157.9° | 40.8° |
| C50 | C46 | C45 | H34 | 40.7° | 160.8° |
| C50 | C46 | C47 | H35 | 179.7° | 179.8° |
| C46 | C50 | C51 | H36 | 0.1° | 0.1° |
| C50 | C49 | C54 | C53 | 0.1° | 0.0° |
| C49 | C50 | C51 | C52 | 0.0° | 0.1° |
| C49 | C50 | C51 | H36 | 179.9° | 180.0° |
| C50 | C49 | C54 | H39 | 179.9° | 180.0° |
| C50 | C49 | N48 | H52 | 179.9° | 179.9° |
| C54 | C49 | C50 | C51 | 0.0° | 0.0° |
| C49 | C54 | C53 | H39 | 180.0° | 179.9° |
| C49 | C54 | C53 | C52 | 0.1° | 0.0° |
| C49 | C54 | C53 | H38 | 179.9° | 180.0° |
| C54 | C49 | N48 | H52 | 0.0° | 0.1° |
| C55 | N27 | C26 | H45 | 180.0° | 179.7° |
| C55 | N27 | C26 | C25 | 84.5° | 167.3° |
| C55 | N27 | C26 | H10 | 36.2° | 44.2° |
| C55 | N27 | C26 | H11 | 154.9° | 74.5° |
| N27 | C55 | C44 | H32 | 41.7° | 139.2° |
| O56 | C55 | N27 | C26 | 0.2° | 1.5° |
| O56 | C55 | C44 | H32 | 137.9° | 40.4° |
| O56 | C55 | N27 | H45 | 179.8° | 178.1° |
| C09 | C31 | C30 | H14 | 180.0° | 179.7° |
| C09 | C31 | C30 | C29 | 0.1° | 0.4° |
| C31 | C09 | C10 | S11 | 179.9° | 178.5° |
| C31 | C09 | C10 | N28 | 0.5° | 1.4° |
| C31 | C09 | C08 | H3 | 137.7° | 118.7° |
| C31 | C09 | C08 | H4 | 104.7° | 3.0° |
| C09 | C31 | C30 | H13 | 179.9° | 179.9° |
| C30 | C31 | C09 | C10 | 0.3° | 1.2° |
| C31 | C30 | C29 | H13 | 180.0° | 179.7° |
| C31 | C30 | C29 | N28 | 0.0° | 0.2° |
| C31 | C30 | C29 | H12 | 179.9° | 179.6° |
| N27 | C26 | C25 | H10 | 120.6° | 122.0° |
| N27 | C26 | C25 | H11 | 120.6° | 117.8° |
| N27 | C26 | C25 | C12 | 67.5° | 76.2° |
| N27 | C26 | C25 | C17 | 111.1° | 103.5° |
| N27 | C26 | H10 | H11 | 118.1° | 118.6° |
| C09 | C10 | S11 | N28 | 179.5° | 179.9° |
| C09 | C10 | S11 | C12 | 168.1° | 172.8° |
| C09 | C10 | N28 | C29 | 0.5° | 0.8° |
| C10 | C09 | C08 | H3 | 41.6° | 61.5° |
| C10 | C09 | C08 | H4 | 75.9° | 176.8° |
| C10 | C09 | C31 | H14 | 179.8° | 179.1° |
| C50 | C51 | C52 | H36 | 180.0° | 179.9° |
| C50 | C51 | C52 | C53 | 0.0° | 0.1° |
| C50 | C51 | C52 | H37 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 0.0° | 0.0° |
| C54 | C53 | C52 | H38 | 180.0° | 180.0° |
| C54 | C53 | C52 | H37 | 180.0° | 180.0° |
| C26 | C25 | C12 | S11 | 1.5° | 0.1° |
| C26 | C25 | C12 | C17 | 178.6° | 179.7° |
| C26 | C25 | C12 | C13 | 179.8° | 179.8° |
| C26 | C25 | C17 | C18 | 1.0° | 0.9° |
| C26 | C25 | C17 | C16 | 179.4° | 179.4° |
| C25 | C26 | H10 | H11 | 118.2° | 120.2° |
| C25 | C26 | N27 | H45 | 95.6° | 13.0° |
| C30 | C29 | N28 | C10 | 0.2° | 0.0° |
| C30 | C29 | N28 | H12 | 180.0° | 179.8° |
| C29 | C30 | C31 | H14 | 180.0° | 179.9° |
| S11 | C10 | N28 | C29 | 179.9° | 179.1° |
| C10 | S11 | C12 | C25 | 100.0° | 122.0° |
| C10 | S11 | C12 | C13 | 81.4° | 58.3° |
| N28 | C10 | S11 | C12 | 12.4° | 7.2° |
| C10 | N28 | C29 | H12 | 179.8° | 179.8° |
| C51 | C52 | C53 | H37 | 180.0° | 179.9° |
| C51 | C52 | C53 | H38 | 180.0° | 179.9° |
| C53 | C52 | C51 | H36 | 179.9° | 180.0° |
| C52 | C53 | C54 | H39 | 179.9° | 179.9° |
| S11 | C12 | C25 | C13 | 178.6° | 179.7° |
| S11 | C12 | C25 | C17 | 179.9° | 179.6° |
| S11 | C12 | C13 | CL14 | 0.8° | 0.9° |
| S11 | C12 | C13 | C15 | 179.7° | 179.2° |
| N28 | C29 | C30 | H13 | 179.9° | 179.5° |
| C24 | N23 | C21 | N22 | 180.0° | 179.7° |
| N23 | C24 | C18 | H9 | 180.0° | 179.5° |
| C24 | N23 | C21 | C20 | 0.0° | 0.3° |
| N23 | C24 | C18 | C19 | 0.2° | 0.5° |
| N23 | C24 | C18 | C17 | 180.0° | 179.7° |
| N23 | C21 | N22 | C20 | 180.0° | 180.0° |
| C21 | N23 | C24 | C18 | 0.1° | 0.5° |
| N23 | C21 | C20 | C19 | 0.0° | 0.0° |
| N23 | C21 | C20 | H8 | 180.0° | 180.0° |
| C21 | N23 | C24 | H9 | 179.9° | 179.9° |
| N23 | C21 | N22 | H43 | 0.0° | 180.0° |
| N23 | C21 | N22 | H44 | 120.0° | 0.0° |
| N22 | C21 | C20 | C19 | 180.0° | 180.0° |
| N22 | C21 | C20 | H8 | 0.0° | 0.0° |
| C21 | N22 | H43 | H44 | 120.0° | 180.0° |
| C12 | C25 | C17 | C18 | 179.5° | 178.8° |
| C12 | C25 | C17 | C16 | 0.8° | 0.9° |
| C25 | C12 | C13 | CL14 | 179.5° | 178.8° |
| C25 | C12 | C13 | C15 | 1.0° | 1.1° |
| C12 | C25 | C26 | H10 | 171.9° | 161.8° |
| C12 | C25 | C26 | H11 | 53.1° | 41.6° |
| C25 | C17 | C18 | C24 | 65.3° | 50.5° |
| C17 | C25 | C12 | C13 | 1.2° | 0.0° |
| C25 | C17 | C18 | C19 | 114.9° | 129.8° |
| C25 | C17 | C18 | C16 | 179.6° | 179.7° |
| C25 | C17 | C16 | C15 | 0.3° | 0.7° |
| C25 | C17 | C16 | H6 | 179.7° | 179.2° |
| C17 | C25 | C26 | H10 | 9.5° | 18.5° |
| C17 | C25 | C26 | H11 | 128.3° | 138.7° |
| C24 | C18 | C19 | C17 | 179.8° | 179.7° |
| C24 | C18 | C19 | C20 | 0.1° | 0.3° |
| C24 | C18 | C17 | C16 | 114.3° | 129.7° |
| C24 | C18 | C19 | H7 | 179.9° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H8 | 180.0° | 180.0° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C20 | C21 | N22 | H43 | 179.9° | 0.0° |
| C20 | C21 | N22 | H44 | 60.0° | 180.0° |
| C12 | C13 | CL14 | C15 | 179.5° | 179.9° |
| C12 | C13 | C15 | C16 | 0.5° | 1.4° |
| C12 | C13 | C15 | H5 | 179.5° | 178.8° |
| C18 | C19 | C20 | H7 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 65.5° | 50.0° |
| C18 | C19 | C20 | H8 | 179.9° | 180.0° |
| C19 | C18 | C24 | H9 | 179.8° | 180.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 179.9° | 179.1° |
| C18 | C17 | C16 | H6 | 0.1° | 1.0° |
| C17 | C18 | C19 | H7 | 0.1° | 0.0° |
| C17 | C18 | C24 | H9 | 0.0° | 0.2° |
| C17 | C16 | C15 | C13 | 0.1° | 0.5° |
| C17 | C16 | C15 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | H5 | 179.9° | 179.7° |
| CL14 | C13 | C15 | C16 | 180.0° | 178.5° |
| CL14 | C13 | C15 | H5 | 0.0° | 1.2° |
| C13 | C15 | C16 | H5 | 180.0° | 179.7° |
| C13 | C15 | C16 | H6 | 179.9° | 179.6° |
| H1 | C03 | C37 | H21 | 31.5° | 174.6° |
| H1 | C03 | C37 | H22 | 149.4° | 65.4° |
| H1 | C03 | N04 | H40 | 112.1° | 114.4° |
| H2 | C06 | C32 | H15 | 173.1° | 171.5° |
| H2 | C06 | C32 | H16 | 54.5° | 68.5° |
| H2 | C06 | N07 | H41 | 88.1° | 140.5° |
| H3 | C08 | N07 | H41 | 82.5° | 37.0° |
| H4 | C08 | N07 | H41 | 35.0° | 157.1° |
| H5 | C15 | C16 | H6 | 0.1° | 0.1° |
| H7 | C19 | C20 | H8 | 0.1° | 0.0° |
| H10 | C26 | N27 | H45 | 143.8° | 136.1° |
| H11 | C26 | N27 | H45 | 25.0° | 105.1° |
| H12 | C29 | C30 | H13 | 0.1° | 0.7° |
| H13 | C30 | C31 | H14 | 0.0° | 0.2° |
| H15 | C32 | C33 | H17 | 94.4° | 180.0° |
| H15 | C32 | C33 | H18 | 23.7° | 60.0° |
| H16 | C32 | C33 | H17 | 147.1° | 60.0° |
| H16 | C32 | C33 | H18 | 94.9° | 180.0° |
| H17 | C33 | C34 | H19 | 135.0° | 180.0° |
| H17 | C33 | C34 | H20 | 105.8° | 60.0° |
| H18 | C33 | C34 | H19 | 17.0° | 60.0° |
| H18 | C33 | C34 | H20 | 136.2° | 180.0° |
| H19 | C34 | N35 | H46 | 59.7° | 64.0° |
| H19 | C34 | N35 | H47 | 60.4° | 60.0° |
| H20 | C34 | N35 | H46 | 59.6° | 176.0° |
| H20 | C34 | N35 | H47 | 179.7° | 60.0° |
| H21 | C37 | C38 | H23 | 128.2° | 178.9° |
| H21 | C37 | C38 | H24 | 113.6° | 58.9° |
| H22 | C37 | C38 | H23 | 113.9° | 61.1° |
| H22 | C37 | C38 | H24 | 4.3° | 179.0° |
| H23 | C38 | C39 | H25 | 110.3° | 175.9° |
| H23 | C38 | C39 | H26 | 8.0° | 56.0° |
| H24 | C38 | C39 | H25 | 131.5° | 64.1° |
| H24 | C38 | C39 | H26 | 110.2° | 175.9° |
| H25 | C39 | C40 | H27 | 145.0° | 180.0° |
| H25 | C39 | C40 | H28 | 25.6° | 59.9° |
| H26 | C39 | C40 | H27 | 96.7° | 60.0° |
| H26 | C39 | C40 | H28 | 143.9° | 180.0° |
| H27 | C40 | N41 | H49 | 59.7° | 60.0° |
| H27 | C40 | N41 | H50 | 179.7° | 176.0° |
| H28 | C40 | N41 | H49 | 59.7° | 60.1° |
| H28 | C40 | N41 | H50 | 60.3° | 63.9° |
| H29 | C43 | H30 | H31 | 120.0° | 120.0° |
| H32 | C44 | C45 | H33 | 161.2° | 66.7° |
| H32 | C44 | C45 | H34 | 81.7° | 173.4° |
| H35 | C47 | N48 | H52 | 0.3° | 0.1° |
| H36 | C51 | C52 | H37 | 0.1° | 0.0° |
| H37 | C52 | C53 | H38 | 0.0° | 0.0° |
| H38 | C53 | C54 | H39 | 0.1° | 0.1° |
