0Y3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.50Å | |
| O23 | N22 | sing | 1.42Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| O52 | C43 | doub | 1.22Å | 1.23Å | |
| N22 | C21 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| O36 | C29 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C43 | C39 | sing | 1.48Å | 1.51Å | |
| C43 | N44 | sing | 1.35Å | 1.36Å | |
| O25 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C45 | N44 | sing | 1.47Å | 1.46Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C32 | N33 | sing | 1.46Å | 1.47Å | |
| N33 | C34 | sing | 1.35Å | 1.36Å | |
| C38 | C39 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | N28 | sing | 1.35Å | 1.35Å | |
| C2 | S1 | sing | 1.76Å | 1.64Å | |
| C34 | C37 | sing | 1.48Å | 1.52Å | |
| C34 | O35 | doub | 1.22Å | 1.22Å | |
| C37 | C42 | doub | 1.40Å | 1.40Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | N16 | sing | 1.47Å | 1.47Å | |
| C20 | C26 | sing | 1.53Å | 1.55Å | |
| C27 | N28 | sing | 1.46Å | 1.46Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| S1 | N16 | sing | 1.66Å | 1.56Å | |
| S1 | O14 | doub | 1.42Å | 1.44Å | |
| S1 | O15 | doub | 1.42Å | 1.44Å | |
| N16 | O17 | sing | 1.42Å | 1.28Å | |
| O17 | C19 | sing | 1.43Å | 1.42Å | |
| C48 | N49 | sing | 1.35Å | 1.36Å | |
| C48 | O53 | doub | 1.21Å | 1.23Å | |
| N49 | C50 | sing | 1.46Å | 1.46Å | |
| C58 | C57 | sing | 1.53Å | 1.53Å | |
| C24 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C23 | sing | 1.53Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C59 | C57 | sing | 1.53Å | 1.52Å | |
| C51 | C54 | sing | 1.53Å | 1.55Å | |
| C57 | O56 | sing | 1.43Å | 1.44Å | |
| O56 | N55 | sing | 1.42Å | 1.28Å | |
| N55 | C54 | sing | 1.46Å | 1.50Å | |
| N55 | S60 | sing | 1.66Å | 1.57Å | |
| C54 | C75 | sing | 1.51Å | 1.51Å | |
| O78 | C75 | doub | 1.21Å | 1.22Å | |
| C75 | N76 | sing | 1.35Å | 1.33Å | |
| O62 | S60 | doub | 1.42Å | 1.44Å | |
| S60 | O61 | doub | 1.42Å | 1.44Å | |
| S60 | C63 | sing | 1.76Å | 1.64Å | |
| N76 | O77 | sing | 1.42Å | 1.37Å | |
| C64 | C63 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | C65 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | C68 | sing | 1.38Å | 1.40Å | Aromatic |
| C65 | C66 | doub | 1.39Å | 1.40Å | Aromatic |
| C68 | C67 | doub | 1.38Å | 1.40Å | Aromatic |
| C66 | C67 | sing | 1.39Å | 1.40Å | Aromatic |
| C66 | C69 | sing | 1.48Å | 1.50Å | |
| C70 | C69 | doub | 1.39Å | 1.40Å | Aromatic |
| C70 | C71 | sing | 1.38Å | 1.40Å | Aromatic |
| C69 | C74 | sing | 1.39Å | 1.40Å | Aromatic |
| C71 | C72 | doub | 1.38Å | 1.39Å | Aromatic |
| C74 | C73 | doub | 1.38Å | 1.39Å | Aromatic |
| C72 | C73 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| N76 | H9 | sing | 0.97Å | 1.00Å | |
| O77 | H10 | sing | 0.97Å | 0.95Å | |
| C54 | H11 | sing | 1.09Å | 1.10Å | |
| C68 | H12 | sing | 1.08Å | 1.08Å | |
| C67 | H13 | sing | 1.08Å | 1.08Å | |
| C74 | H14 | sing | 1.08Å | 1.08Å | |
| C73 | H15 | sing | 1.08Å | 1.08Å | |
| C72 | H16 | sing | 1.08Å | 1.08Å | |
| C71 | H17 | sing | 1.08Å | 1.08Å | |
| C70 | H18 | sing | 1.08Å | 1.08Å | |
| C65 | H19 | sing | 1.08Å | 1.08Å | |
| C64 | H20 | sing | 1.08Å | 1.08Å | |
| C57 | H21 | sing | 1.09Å | 1.10Å | |
| C59 | H22 | sing | 1.09Å | 1.10Å | |
| C59 | H23 | sing | 1.09Å | 1.10Å | |
| C59 | H24 | sing | 1.09Å | 1.10Å | |
| C58 | H25 | sing | 1.09Å | 1.10Å | |
| C58 | H26 | sing | 1.09Å | 1.10Å | |
| C58 | H27 | sing | 1.09Å | 1.10Å | |
| C51 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C50 | H30 | sing | 1.09Å | 1.10Å | |
| C50 | H31 | sing | 1.09Å | 1.10Å | |
| N49 | H32 | sing | 0.97Å | 1.00Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| C47 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| N44 | H39 | sing | 0.97Å | 1.00Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å | |
| C42 | H43 | sing | 1.08Å | 1.08Å | |
| N33 | H44 | sing | 0.97Å | 1.00Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| N28 | H51 | sing | 0.97Å | 1.00Å | |
| C27 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.09Å | 1.10Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| N22 | H57 | sing | 0.97Å | 1.00Å | |
| O23 | H58 | sing | 0.97Å | 0.95Å | |
| C19 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H60 | sing | 1.09Å | 1.10Å | |
| C24 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H63 | sing | 1.09Å | 1.10Å | |
| C23 | H64 | sing | 1.09Å | 1.10Å | |
| C23 | H65 | sing | 1.09Å | 1.10Å | |
| C10 | H66 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 119.4° | 120.3° |
| C11 | C10 | C9 | 120.8° | 120.1° |
| C10 | C11 | H6 | 120.3° | 119.9° |
| C11 | C10 | H66 | 119.6° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H6 | 120.3° | 119.8° |
| C11 | C12 | H7 | 120.0° | 120.0° |
| C10 | C9 | C8 | 120.1° | 119.9° |
| C10 | C9 | H5 | 120.0° | 120.1° |
| C9 | C10 | H66 | 119.6° | 119.9° |
| C12 | C13 | C8 | 120.7° | 119.9° |
| C13 | C12 | H7 | 120.0° | 119.9° |
| C12 | C13 | H8 | 119.6° | 120.1° |
| C9 | C8 | C13 | 119.0° | 119.8° |
| C9 | C8 | C5 | 120.3° | 120.1° |
| C8 | C9 | H5 | 120.0° | 120.1° |
| C13 | C8 | C5 | 120.7° | 120.1° |
| C8 | C13 | H8 | 119.6° | 120.0° |
| C8 | C5 | C6 | 120.4° | 120.1° |
| C8 | C5 | C4 | 121.1° | 120.1° |
| O23 | N22 | C21 | 119.7° | 120.0° |
| O23 | N22 | H57 | 120.2° | 120.0° |
| N22 | O23 | H58 | 109.5° | 114.0° |
| C6 | C5 | C4 | 118.4° | 119.7° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C5 | C6 | H3 | 119.5° | 120.1° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C5 | C4 | H2 | 119.7° | 120.1° |
| C6 | C7 | C2 | 120.9° | 120.2° |
| C7 | C6 | H3 | 119.6° | 120.1° |
| C6 | C7 | H4 | 119.5° | 120.0° |
| O52 | C43 | C39 | 119.9° | 120.0° |
| O52 | C43 | N44 | 123.2° | 120.0° |
| N22 | C21 | O25 | 122.8° | 119.9° |
| N22 | C21 | C20 | 115.9° | 120.0° |
| C21 | N22 | H57 | 120.2° | 120.0° |
| C4 | C3 | C2 | 121.0° | 120.1° |
| C4 | C3 | H1 | 119.5° | 119.9° |
| C3 | C4 | H2 | 119.7° | 120.0° |
| C7 | C2 | C3 | 118.1° | 120.2° |
| C7 | C2 | S1 | 120.9° | 119.9° |
| C2 | C7 | H4 | 119.6° | 119.9° |
| O36 | C29 | C30 | 122.3° | 120.0° |
| O36 | C29 | N28 | 124.1° | 120.0° |
| C32 | C31 | C30 | 110.3° | 109.5° |
| C31 | C32 | N33 | 114.9° | 109.4° |
| C31 | C32 | H45 | 108.1° | 109.4° |
| C31 | C32 | H46 | 108.1° | 109.4° |
| C32 | C31 | H47 | 109.3° | 109.5° |
| C32 | C31 | H48 | 109.3° | 109.4° |
| C31 | C30 | C29 | 115.2° | 109.5° |
| C30 | C31 | H47 | 109.3° | 109.5° |
| C30 | C31 | H48 | 109.3° | 109.5° |
| C31 | C30 | H49 | 108.0° | 109.4° |
| C31 | C30 | H50 | 108.0° | 109.4° |
| C39 | C43 | N44 | 116.9° | 120.0° |
| C43 | C39 | C38 | 124.3° | 120.1° |
| C43 | C39 | C40 | 116.2° | 120.1° |
| C43 | N44 | C45 | 127.0° | 120.0° |
| C43 | N44 | H39 | 116.5° | 120.0° |
| O25 | C21 | C20 | 121.4° | 120.0° |
| C21 | C20 | N16 | 107.0° | 109.5° |
| C21 | C20 | C26 | 109.8° | 109.5° |
| C21 | C20 | H56 | 108.6° | 109.5° |
| N44 | C45 | C46 | 112.0° | 109.5° |
| N44 | C45 | H37 | 108.8° | 109.4° |
| N44 | C45 | H38 | 108.8° | 109.5° |
| C45 | N44 | H39 | 116.5° | 120.0° |
| C45 | C46 | C47 | 111.4° | 109.5° |
| C45 | C46 | H35 | 109.0° | 109.5° |
| C45 | C46 | H36 | 109.0° | 109.5° |
| C46 | C45 | H37 | 108.8° | 109.4° |
| C46 | C45 | H38 | 108.9° | 109.5° |
| C32 | N33 | C34 | 121.4° | 120.0° |
| C32 | N33 | H44 | 119.3° | 120.1° |
| N33 | C32 | H45 | 108.1° | 109.5° |
| N33 | C32 | H46 | 108.1° | 109.5° |
| N33 | C34 | C37 | 123.5° | 120.0° |
| N33 | C34 | O35 | 119.6° | 120.0° |
| C34 | N33 | H44 | 119.3° | 120.0° |
| C39 | C38 | C37 | 120.0° | 119.7° |
| C38 | C39 | C40 | 119.5° | 119.8° |
| C39 | C38 | H40 | 120.0° | 120.1° |
| C38 | C37 | C34 | 124.7° | 120.1° |
| C38 | C37 | C42 | 118.7° | 119.9° |
| C37 | C38 | H40 | 120.0° | 120.2° |
| C39 | C40 | C41 | 120.7° | 120.1° |
| C39 | C40 | H41 | 119.6° | 119.9° |
| C3 | C2 | S1 | 120.9° | 119.9° |
| C2 | C3 | H1 | 119.5° | 120.0° |
| C30 | C29 | N28 | 113.6° | 120.0° |
| C29 | C30 | H49 | 108.0° | 109.5° |
| C29 | C30 | H50 | 108.1° | 109.5° |
| C29 | N28 | C27 | 127.8° | 120.0° |
| C29 | N28 | H51 | 116.1° | 120.0° |
| C2 | S1 | N16 | 110.7° | 107.2° |
| C2 | S1 | O14 | 109.7° | 106.4° |
| C2 | S1 | O15 | 109.1° | 106.4° |
| C37 | C34 | O35 | 116.9° | 120.0° |
| C34 | C37 | C42 | 116.6° | 120.1° |
| C37 | C42 | C41 | 121.0° | 120.1° |
| C37 | C42 | H43 | 119.5° | 119.9° |
| C40 | C41 | C42 | 120.1° | 120.4° |
| C41 | C40 | H41 | 119.6° | 120.0° |
| C40 | C41 | H42 | 120.0° | 119.8° |
| N16 | C20 | C26 | 114.2° | 109.5° |
| C20 | N16 | S1 | 120.4° | 120.0° |
| C20 | N16 | O17 | 116.3° | 120.0° |
| N16 | C20 | H56 | 109.0° | 109.5° |
| C20 | C26 | C27 | 114.0° | 109.5° |
| C20 | C26 | H54 | 108.3° | 109.5° |
| C20 | C26 | H55 | 108.4° | 109.5° |
| C26 | C20 | H56 | 108.0° | 109.5° |
| N28 | C27 | C26 | 108.6° | 109.4° |
| C27 | N28 | H51 | 116.0° | 120.0° |
| N28 | C27 | H52 | 109.7° | 109.5° |
| N28 | C27 | H53 | 109.7° | 109.5° |
| C26 | C27 | H52 | 109.7° | 109.5° |
| C26 | C27 | H53 | 109.7° | 109.5° |
| C27 | C26 | H54 | 108.3° | 109.5° |
| C27 | C26 | H55 | 108.3° | 109.5° |
| C46 | C47 | C48 | 114.1° | 109.5° |
| C46 | C47 | H33 | 108.3° | 109.5° |
| C46 | C47 | H34 | 108.3° | 109.5° |
| C47 | C46 | H35 | 109.0° | 109.5° |
| C47 | C46 | H36 | 109.0° | 109.5° |
| C47 | C48 | N49 | 114.0° | 120.0° |
| C47 | C48 | O53 | 121.6° | 120.0° |
| C48 | C47 | H33 | 108.3° | 109.4° |
| C48 | C47 | H34 | 108.3° | 109.4° |
| C42 | C41 | H42 | 120.0° | 119.8° |
| C41 | C42 | H43 | 119.5° | 120.0° |
| N16 | S1 | O14 | 110.5° | 106.4° |
| N16 | S1 | O15 | 111.1° | 106.4° |
| S1 | N16 | O17 | 122.0° | 120.0° |
| O14 | S1 | O15 | 105.7° | 123.2° |
| N16 | O17 | C19 | 127.3° | 114.0° |
| O17 | C19 | C24 | 108.4° | 109.4° |
| O17 | C19 | C23 | 109.9° | 109.5° |
| O17 | C19 | H59 | 110.3° | 109.5° |
| N49 | C48 | O53 | 124.4° | 119.9° |
| C48 | N49 | C50 | 127.0° | 120.1° |
| C48 | N49 | H32 | 116.5° | 120.0° |
| N49 | C50 | C51 | 110.6° | 109.5° |
| N49 | C50 | H30 | 109.2° | 109.5° |
| N49 | C50 | H31 | 109.2° | 109.5° |
| C50 | N49 | H32 | 116.5° | 120.0° |
| C58 | C57 | C59 | 109.8° | 109.5° |
| C58 | C57 | O56 | 110.3° | 109.5° |
| C58 | C57 | H21 | 108.5° | 109.5° |
| C57 | C58 | H25 | 109.5° | 109.5° |
| C57 | C58 | H26 | 109.5° | 109.5° |
| C57 | C58 | H27 | 109.5° | 109.5° |
| C24 | C19 | C23 | 110.2° | 109.5° |
| C24 | C19 | H59 | 109.0° | 109.4° |
| C19 | C24 | H60 | 109.5° | 109.5° |
| C19 | C24 | H61 | 109.4° | 109.4° |
| C19 | C24 | H62 | 109.5° | 109.4° |
| C23 | C19 | H59 | 109.0° | 109.5° |
| C19 | C23 | H63 | 109.5° | 109.5° |
| C19 | C23 | H64 | 109.4° | 109.5° |
| C19 | C23 | H65 | 109.5° | 109.5° |
| C50 | C51 | C54 | 114.6° | 109.5° |
| C50 | C51 | H28 | 108.1° | 109.5° |
| C50 | C51 | H29 | 108.2° | 109.4° |
| C51 | C50 | H30 | 109.2° | 109.5° |
| C51 | C50 | H31 | 109.2° | 109.5° |
| C59 | C57 | O56 | 110.0° | 109.5° |
| C59 | C57 | H21 | 108.5° | 109.5° |
| C57 | C59 | H22 | 109.5° | 109.5° |
| C57 | C59 | H23 | 109.5° | 109.5° |
| C57 | C59 | H24 | 109.5° | 109.5° |
| C51 | C54 | N55 | 112.2° | 109.5° |
| C51 | C54 | C75 | 110.0° | 109.5° |
| C51 | C54 | H11 | 106.2° | 109.5° |
| C54 | C51 | H28 | 108.2° | 109.5° |
| C54 | C51 | H29 | 108.2° | 109.4° |
| C57 | O56 | N55 | 124.1° | 114.0° |
| O56 | C57 | H21 | 109.7° | 109.4° |
| O56 | N55 | C54 | 120.1° | 120.0° |
| O56 | N55 | S60 | 118.7° | 120.0° |
| C54 | N55 | S60 | 121.1° | 120.0° |
| N55 | C54 | C75 | 114.6° | 109.5° |
| N55 | C54 | H11 | 106.7° | 109.4° |
| N55 | S60 | O62 | 109.9° | 106.4° |
| N55 | S60 | O61 | 109.1° | 106.4° |
| N55 | S60 | C63 | 114.6° | 107.2° |
| C54 | C75 | O78 | 121.8° | 120.0° |
| C54 | C75 | N76 | 116.3° | 120.0° |
| C75 | C54 | H11 | 106.6° | 109.5° |
| O78 | C75 | N76 | 121.9° | 120.0° |
| C75 | N76 | O77 | 118.6° | 120.0° |
| C75 | N76 | H9 | 120.7° | 119.9° |
| O62 | S60 | O61 | 105.0° | 123.2° |
| O62 | S60 | C63 | 108.7° | 106.4° |
| O61 | S60 | C63 | 109.1° | 106.4° |
| S60 | C63 | C64 | 120.9° | 119.9° |
| S60 | C63 | C68 | 121.2° | 119.9° |
| O77 | N76 | H9 | 120.7° | 120.0° |
| N76 | O77 | H10 | 109.5° | 114.0° |
| C63 | C64 | C65 | 120.9° | 120.1° |
| C64 | C63 | C68 | 118.0° | 120.3° |
| C63 | C64 | H20 | 119.5° | 119.9° |
| C64 | C65 | C66 | 120.9° | 119.9° |
| C64 | C65 | H19 | 119.6° | 120.0° |
| C65 | C64 | H20 | 119.6° | 120.0° |
| C63 | C68 | C67 | 121.2° | 120.1° |
| C63 | C68 | H12 | 119.4° | 120.0° |
| C65 | C66 | C67 | 118.5° | 119.7° |
| C65 | C66 | C69 | 120.6° | 120.1° |
| C66 | C65 | H19 | 119.5° | 120.1° |
| C68 | C67 | C66 | 120.6° | 119.9° |
| C67 | C68 | H12 | 119.4° | 120.0° |
| C68 | C67 | H13 | 119.7° | 120.0° |
| C67 | C66 | C69 | 120.9° | 120.2° |
| C66 | C67 | H13 | 119.7° | 120.0° |
| C66 | C69 | C70 | 120.3° | 120.1° |
| C66 | C69 | C74 | 120.6° | 120.1° |
| C69 | C70 | C71 | 120.6° | 119.9° |
| C70 | C69 | C74 | 119.0° | 119.7° |
| C69 | C70 | H18 | 119.7° | 120.1° |
| C70 | C71 | C72 | 120.0° | 120.1° |
| C70 | C71 | H17 | 120.0° | 120.0° |
| C71 | C70 | H18 | 119.7° | 120.0° |
| C69 | C74 | C73 | 120.3° | 119.9° |
| C69 | C74 | H14 | 119.8° | 120.1° |
| C71 | C72 | C73 | 119.6° | 120.3° |
| C71 | C72 | H16 | 120.2° | 119.9° |
| C72 | C71 | H17 | 120.0° | 119.9° |
| C74 | C73 | C72 | 120.4° | 120.1° |
| C73 | C74 | H14 | 119.9° | 120.1° |
| C74 | C73 | H15 | 119.8° | 119.9° |
| C72 | C73 | H15 | 119.8° | 120.0° |
| C73 | C72 | H16 | 120.2° | 119.8° |
| H22 | C59 | H23 | 109.4° | 109.5° |
| H22 | C59 | H24 | 109.5° | 109.5° |
| H23 | C59 | H24 | 109.5° | 109.5° |
| H25 | C58 | H26 | 109.5° | 109.5° |
| H25 | C58 | H27 | 109.4° | 109.4° |
| H26 | C58 | H27 | 109.4° | 109.5° |
| H28 | C51 | H29 | 109.5° | 109.5° |
| H30 | C50 | H31 | 109.5° | 109.4° |
| H33 | C47 | H34 | 109.5° | 109.5° |
| H35 | C46 | H36 | 109.5° | 109.4° |
| H37 | C45 | H38 | 109.4° | 109.5° |
| H45 | C32 | H46 | 109.5° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| H52 | C27 | H53 | 109.4° | 109.5° |
| H54 | C26 | H55 | 109.5° | 109.5° |
| H60 | C24 | H61 | 109.5° | 109.5° |
| H60 | C24 | H62 | 109.5° | 109.5° |
| H61 | C24 | H62 | 109.5° | 109.5° |
| H63 | C23 | H64 | 109.5° | 109.4° |
| H63 | C23 | H65 | 109.4° | 109.5° |
| H64 | C23 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H6 | 180.0° | 179.7° |
| C11 | C10 | C9 | H66 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.3° | 0.2° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | C9 | H5 | 179.9° | 180.0° |
| C10 | C11 | C12 | H7 | 179.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.3° |
| C11 | C12 | C13 | H7 | 180.0° | 179.8° |
| C11 | C12 | C13 | C8 | 0.2° | 0.1° |
| C11 | C12 | C13 | H8 | 179.8° | 179.9° |
| C12 | C11 | C10 | H66 | 179.7° | 180.0° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.0° | 0.2° |
| C10 | C9 | C8 | C5 | 179.9° | 180.0° |
| C9 | C10 | C11 | H6 | 179.7° | 180.0° |
| C12 | C13 | C8 | C9 | 0.0° | 0.3° |
| C12 | C13 | C8 | H8 | 180.0° | 180.0° |
| C12 | C13 | C8 | C5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H6 | 179.7° | 179.9° |
| C9 | C8 | C13 | C5 | 179.9° | 179.7° |
| C9 | C8 | C5 | C6 | 37.0° | 180.0° |
| C9 | C8 | C5 | C4 | 143.1° | 0.3° |
| C9 | C8 | C13 | H8 | 180.0° | 179.7° |
| C8 | C9 | C10 | H66 | 179.9° | 179.7° |
| C13 | C8 | C5 | C6 | 143.0° | 0.3° |
| C13 | C8 | C5 | C4 | 37.0° | 180.0° |
| C13 | C8 | C9 | H5 | 180.0° | 179.7° |
| C8 | C13 | C12 | H7 | 179.8° | 179.8° |
| C8 | C5 | C6 | C4 | 179.9° | 179.7° |
| C8 | C5 | C6 | C7 | 180.0° | 180.0° |
| C8 | C5 | C4 | C3 | 180.0° | 179.7° |
| C8 | C5 | C4 | H2 | 0.0° | 0.2° |
| C8 | C5 | C6 | H3 | 0.0° | 0.3° |
| C5 | C8 | C9 | H5 | 0.1° | 0.0° |
| C5 | C8 | C13 | H8 | 0.1° | 0.0° |
| O23 | N22 | C21 | H57 | 180.0° | 179.9° |
| O23 | N22 | C21 | O25 | 11.0° | 0.1° |
| O23 | N22 | C21 | C20 | 169.7° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C7 | C2 | 0.2° | 0.6° |
| C6 | C5 | C4 | H2 | 179.9° | 179.9° |
| C5 | C6 | C7 | H4 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C6 | C7 | C2 | H4 | 180.0° | 179.4° |
| C6 | C7 | C2 | C3 | 0.2° | 0.6° |
| C6 | C7 | C2 | S1 | 180.0° | 179.7° |
| O52 | C43 | C39 | N44 | 179.6° | 179.9° |
| O52 | C43 | N44 | C45 | 1.3° | 0.1° |
| O52 | C43 | C39 | C38 | 39.5° | 0.3° |
| O52 | C43 | C39 | C40 | 141.2° | 180.0° |
| O52 | C43 | N44 | H39 | 178.8° | 180.0° |
| N22 | C21 | O25 | C20 | 179.3° | 179.9° |
| N22 | C21 | C20 | N16 | 116.5° | 172.4° |
| N22 | C21 | C20 | C26 | 119.0° | 67.6° |
| N22 | C21 | C20 | H56 | 1.1° | 52.4° |
| C21 | N22 | O23 | H58 | 5.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | S1 | 180.0° | 180.0° |
| C7 | C2 | C3 | S1 | 179.9° | 179.7° |
| C7 | C2 | S1 | N16 | 99.1° | 90.3° |
| C7 | C2 | S1 | O14 | 23.0° | 23.2° |
| C7 | C2 | S1 | O15 | 138.3° | 156.2° |
| C7 | C2 | C3 | H1 | 179.9° | 179.8° |
| C2 | C7 | C6 | H3 | 179.9° | 179.8° |
| O36 | C29 | C30 | C31 | 35.6° | 0.0° |
| O36 | C29 | C30 | N28 | 179.3° | 179.9° |
| O36 | C29 | N28 | C27 | 10.0° | 0.1° |
| O36 | C29 | C30 | H49 | 85.3° | 120.0° |
| O36 | C29 | C30 | H50 | 156.4° | 119.9° |
| O36 | C29 | N28 | H51 | 170.1° | 180.0° |
| C32 | C31 | C30 | H47 | 120.1° | 120.0° |
| C32 | C31 | C30 | H48 | 120.1° | 120.0° |
| C31 | C32 | N33 | H45 | 120.8° | 119.9° |
| C31 | C32 | N33 | H46 | 120.8° | 120.0° |
| C31 | C32 | N33 | C34 | 168.0° | 180.0° |
| C32 | C31 | C30 | C29 | 158.3° | 180.0° |
| C31 | C32 | N33 | H44 | 12.0° | 0.0° |
| C31 | C32 | H45 | H46 | 117.5° | 120.0° |
| C32 | C31 | H47 | H48 | 119.6° | 120.0° |
| C32 | C31 | C30 | H49 | 37.5° | 60.0° |
| C32 | C31 | C30 | H50 | 80.8° | 60.0° |
| C30 | C31 | C32 | N33 | 114.3° | 180.0° |
| C31 | C30 | C29 | H49 | 120.8° | 120.0° |
| C31 | C30 | C29 | H50 | 120.8° | 120.0° |
| C31 | C30 | C29 | N28 | 145.1° | 180.0° |
| C30 | C31 | C32 | H45 | 6.5° | 60.0° |
| C30 | C31 | C32 | H46 | 124.9° | 60.0° |
| C30 | C31 | H47 | H48 | 119.6° | 120.0° |
| C31 | C30 | H49 | H50 | 117.4° | 120.0° |
| C39 | C43 | N44 | C45 | 179.2° | 180.0° |
| C43 | C39 | C38 | C40 | 179.2° | 179.7° |
| C43 | C39 | C38 | C37 | 179.5° | 180.0° |
| C43 | C39 | C40 | C41 | 179.6° | 179.9° |
| C39 | C43 | N44 | H39 | 0.8° | 0.1° |
| C43 | C39 | C38 | H40 | 0.5° | 0.0° |
| C43 | C39 | C40 | H41 | 0.4° | 0.0° |
| C43 | N44 | C45 | H39 | 180.0° | 179.9° |
| C43 | N44 | C45 | C46 | 172.6° | 180.0° |
| N44 | C43 | C39 | C38 | 140.9° | 179.7° |
| N44 | C43 | C39 | C40 | 38.4° | 0.0° |
| C43 | N44 | C45 | H37 | 67.0° | 60.1° |
| C43 | N44 | C45 | H38 | 52.3° | 60.0° |
| O25 | C21 | C20 | N16 | 62.8° | 7.5° |
| O25 | C21 | C20 | C26 | 61.7° | 112.5° |
| O25 | C21 | C20 | H56 | 179.6° | 127.5° |
| O25 | C21 | N22 | H57 | 169.0° | 180.0° |
| C21 | C20 | N16 | C26 | 121.7° | 120.0° |
| C21 | C20 | N16 | H56 | 117.3° | 120.0° |
| C21 | C20 | C26 | H56 | 118.3° | 120.0° |
| C21 | C20 | C26 | C27 | 26.9° | 175.0° |
| C21 | C20 | N16 | S1 | 103.7° | 110.3° |
| C21 | C20 | N16 | O17 | 63.6° | 69.7° |
| C21 | C20 | C26 | H54 | 93.7° | 65.0° |
| C21 | C20 | C26 | H55 | 147.6° | 55.0° |
| C20 | C21 | N22 | H57 | 10.3° | 0.1° |
| N44 | C45 | C46 | H37 | 120.4° | 119.9° |
| N44 | C45 | C46 | H38 | 120.4° | 120.0° |
| N44 | C45 | C46 | C47 | 153.6° | 180.0° |
| N44 | C45 | C46 | H35 | 33.3° | 60.0° |
| N44 | C45 | C46 | H36 | 86.1° | 59.9° |
| N44 | C45 | H37 | H38 | 118.9° | 120.0° |
| C45 | C46 | C47 | H35 | 120.3° | 120.0° |
| C45 | C46 | C47 | H36 | 120.3° | 120.0° |
| C45 | C46 | C47 | C48 | 162.0° | 180.0° |
| C45 | C46 | C47 | H33 | 77.3° | 60.1° |
| C45 | C46 | C47 | H34 | 41.3° | 60.0° |
| C45 | C46 | H35 | H36 | 119.1° | 119.9° |
| C46 | C45 | H37 | H38 | 118.9° | 120.0° |
| C46 | C45 | N44 | H39 | 7.3° | 0.0° |
| C32 | N33 | C34 | H44 | 180.0° | 179.9° |
| C32 | N33 | C34 | C37 | 176.0° | 180.0° |
| C32 | N33 | C34 | O35 | 4.1° | 0.1° |
| N33 | C32 | H45 | H46 | 117.5° | 120.1° |
| N33 | C32 | C31 | H47 | 5.8° | 60.0° |
| N33 | C32 | C31 | H48 | 125.5° | 60.0° |
| N33 | C34 | C37 | C38 | 1.7° | 180.0° |
| N33 | C34 | C37 | O35 | 179.9° | 179.9° |
| N33 | C34 | C37 | C42 | 178.4° | 0.0° |
| C34 | N33 | C32 | H45 | 47.2° | 60.1° |
| C34 | N33 | C32 | H46 | 71.2° | 60.0° |
| C39 | C38 | C37 | H40 | 180.0° | 180.0° |
| C39 | C38 | C37 | C34 | 179.9° | 180.0° |
| C39 | C38 | C37 | C42 | 0.2° | 0.0° |
| C38 | C39 | C40 | C41 | 0.3° | 0.2° |
| C38 | C39 | C40 | H41 | 179.7° | 179.7° |
| C37 | C38 | C39 | C40 | 0.3° | 0.2° |
| C38 | C37 | C34 | C42 | 179.9° | 180.0° |
| C38 | C37 | C34 | O35 | 178.3° | 0.0° |
| C38 | C37 | C42 | C41 | 0.1° | 0.3° |
| C38 | C37 | C42 | H43 | 179.9° | 180.0° |
| C39 | C40 | C41 | H41 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.2° | 0.1° |
| C40 | C39 | C38 | H40 | 179.7° | 179.8° |
| C39 | C40 | C41 | H42 | 179.8° | 180.0° |
| C3 | C2 | S1 | N16 | 81.0° | 90.0° |
| C3 | C2 | S1 | O14 | 156.8° | 156.5° |
| C3 | C2 | S1 | O15 | 41.5° | 23.5° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C3 | C2 | C7 | H4 | 179.8° | 180.0° |
| C30 | C29 | N28 | C27 | 169.4° | 180.0° |
| C29 | C30 | C31 | H47 | 81.5° | 60.0° |
| C29 | C30 | C31 | H48 | 38.2° | 60.0° |
| C29 | C30 | H49 | H50 | 117.4° | 120.1° |
| C30 | C29 | N28 | H51 | 10.6° | 0.1° |
| C29 | N28 | C27 | H51 | 180.0° | 179.9° |
| C29 | N28 | C27 | C26 | 161.4° | 180.0° |
| N28 | C29 | C30 | H49 | 94.1° | 60.1° |
| N28 | C29 | C30 | H50 | 24.3° | 60.0° |
| C29 | N28 | C27 | H52 | 41.5° | 60.0° |
| C29 | N28 | C27 | H53 | 78.7° | 60.0° |
| C2 | S1 | N16 | C20 | 88.4° | 97.1° |
| C2 | S1 | N16 | O14 | 121.7° | 113.5° |
| C2 | S1 | N16 | O15 | 121.3° | 113.5° |
| C2 | S1 | O14 | O15 | 117.4° | 123.0° |
| C2 | S1 | N16 | O17 | 78.2° | 82.8° |
| S1 | C2 | C3 | H1 | 0.0° | 0.0° |
| S1 | C2 | C7 | H4 | 0.0° | 0.3° |
| C34 | C37 | C42 | C41 | 180.0° | 179.7° |
| C34 | C37 | C38 | H40 | 0.0° | 0.0° |
| C34 | C37 | C42 | H43 | 0.0° | 0.1° |
| C37 | C34 | N33 | H44 | 4.0° | 0.1° |
| O35 | C34 | C37 | C42 | 1.6° | 179.9° |
| O35 | C34 | N33 | H44 | 175.9° | 180.0° |
| C37 | C42 | C41 | C40 | 0.1° | 0.3° |
| C37 | C42 | C41 | H43 | 180.0° | 179.7° |
| C42 | C37 | C38 | H40 | 179.8° | 180.0° |
| C37 | C42 | C41 | H42 | 179.9° | 179.7° |
| C40 | C41 | C42 | H42 | 180.0° | 179.9° |
| C40 | C41 | C42 | H43 | 179.9° | 180.0° |
| N16 | C20 | C26 | H56 | 121.5° | 120.0° |
| N16 | C20 | C26 | C27 | 147.1° | 65.0° |
| C20 | N16 | S1 | O17 | 166.6° | 180.0° |
| C20 | N16 | S1 | O14 | 33.3° | 16.4° |
| C20 | N16 | S1 | O15 | 150.3° | 149.3° |
| C20 | N16 | O17 | C19 | 136.4° | 92.3° |
| N16 | C20 | C26 | H54 | 26.5° | 55.0° |
| N16 | C20 | C26 | H55 | 92.2° | 175.0° |
| C20 | C26 | C27 | N28 | 99.9° | 180.0° |
| C20 | C26 | C27 | H54 | 120.6° | 120.0° |
| C20 | C26 | C27 | H55 | 120.7° | 120.0° |
| C26 | C20 | N16 | S1 | 134.5° | 129.7° |
| C26 | C20 | N16 | O17 | 58.1° | 50.3° |
| C20 | C26 | C27 | H52 | 20.0° | 60.0° |
| C20 | C26 | C27 | H53 | 140.2° | 60.0° |
| C20 | C26 | H54 | H55 | 118.0° | 120.0° |
| N28 | C27 | C26 | H52 | 119.9° | 120.0° |
| N28 | C27 | C26 | H53 | 119.9° | 120.0° |
| N28 | C27 | H52 | H53 | 120.4° | 120.0° |
| N28 | C27 | C26 | H54 | 20.7° | 60.0° |
| N28 | C27 | C26 | H55 | 139.4° | 60.0° |
| C26 | C27 | N28 | H51 | 18.6° | 0.0° |
| C26 | C27 | H52 | H53 | 120.4° | 120.0° |
| C27 | C26 | H54 | H55 | 117.9° | 120.0° |
| C27 | C26 | C20 | H56 | 91.4° | 55.0° |
| C46 | C47 | C48 | H33 | 120.7° | 120.0° |
| C46 | C47 | C48 | H34 | 120.7° | 120.0° |
| C46 | C47 | C48 | N49 | 141.6° | 180.0° |
| C46 | C47 | C48 | O53 | 38.9° | 0.0° |
| C46 | C47 | H33 | H34 | 117.9° | 120.1° |
| C47 | C46 | H35 | H36 | 119.1° | 120.1° |
| C47 | C46 | C45 | H37 | 86.0° | 60.0° |
| C47 | C46 | C45 | H38 | 33.2° | 60.0° |
| C47 | C48 | N49 | O53 | 179.4° | 180.0° |
| C47 | C48 | N49 | C50 | 169.5° | 180.0° |
| C47 | C48 | N49 | H32 | 10.4° | 0.0° |
| C48 | C47 | H33 | H34 | 117.9° | 119.9° |
| C48 | C47 | C46 | H35 | 41.7° | 60.0° |
| C48 | C47 | C46 | H36 | 77.7° | 60.0° |
| C42 | C41 | C40 | H41 | 179.8° | 180.0° |
| N16 | S1 | O14 | O15 | 120.3° | 122.9° |
| S1 | N16 | O17 | C19 | 56.5° | 87.7° |
| S1 | N16 | C20 | H56 | 13.6° | 9.6° |
| O14 | S1 | N16 | O17 | 160.1° | 163.6° |
| O15 | S1 | N16 | O17 | 43.1° | 30.7° |
| N16 | O17 | C19 | C24 | 157.2° | 113.9° |
| N16 | O17 | C19 | C23 | 82.2° | 126.1° |
| O17 | N16 | C20 | H56 | 179.1° | 170.3° |
| N16 | O17 | C19 | H59 | 38.0° | 6.0° |
| O17 | C19 | C24 | C23 | 120.3° | 120.0° |
| O17 | C19 | C24 | H59 | 120.1° | 120.0° |
| O17 | C19 | C23 | H59 | 121.0° | 120.1° |
| O17 | C19 | C24 | H60 | 180.0° | 67.0° |
| O17 | C19 | C24 | H61 | 60.0° | 53.0° |
| O17 | C19 | C24 | H62 | 60.0° | 172.9° |
| O17 | C19 | C23 | H63 | 180.0° | 60.1° |
| O17 | C19 | C23 | H64 | 60.0° | 180.0° |
| O17 | C19 | C23 | H65 | 60.0° | 60.0° |
| C48 | N49 | C50 | H32 | 180.0° | 180.0° |
| C48 | N49 | C50 | C51 | 163.8° | 180.0° |
| C48 | N49 | C50 | H30 | 43.6° | 60.0° |
| C48 | N49 | C50 | H31 | 76.0° | 60.0° |
| N49 | C48 | C47 | H33 | 97.7° | 60.0° |
| N49 | C48 | C47 | H34 | 21.0° | 60.0° |
| O53 | C48 | N49 | C50 | 9.9° | 0.0° |
| O53 | C48 | N49 | H32 | 170.1° | 179.9° |
| O53 | C48 | C47 | H33 | 81.8° | 120.0° |
| O53 | C48 | C47 | H34 | 159.6° | 120.1° |
| N49 | C50 | C51 | H30 | 120.2° | 120.0° |
| N49 | C50 | C51 | H31 | 120.2° | 120.0° |
| N49 | C50 | C51 | C54 | 112.3° | 180.0° |
| N49 | C50 | C51 | H28 | 126.9° | 60.0° |
| N49 | C50 | C51 | H29 | 8.5° | 60.0° |
| N49 | C50 | H30 | H31 | 119.5° | 120.0° |
| C58 | C57 | C59 | O56 | 121.5° | 120.0° |
| C58 | C57 | C59 | H21 | 118.4° | 120.0° |
| C58 | C57 | O56 | H21 | 119.4° | 120.0° |
| C58 | C57 | O56 | N55 | 113.7° | 122.9° |
| C58 | C57 | C59 | H22 | 180.0° | 58.6° |
| C58 | C57 | C59 | H23 | 60.0° | 178.6° |
| C58 | C57 | C59 | H24 | 60.0° | 61.4° |
| C57 | C58 | H25 | H26 | 120.0° | 120.1° |
| C57 | C58 | H25 | H27 | 120.0° | 120.0° |
| C57 | C58 | H26 | H27 | 120.0° | 120.0° |
| C24 | C19 | C23 | H59 | 119.5° | 120.0° |
| C19 | C24 | H60 | H61 | 120.0° | 120.0° |
| C19 | C24 | H60 | H62 | 120.0° | 120.0° |
| C19 | C24 | H61 | H62 | 120.0° | 119.9° |
| C24 | C19 | C23 | H63 | 60.6° | 180.0° |
| C24 | C19 | C23 | H64 | 179.4° | 60.0° |
| C24 | C19 | C23 | H65 | 59.4° | 60.0° |
| C23 | C19 | C24 | H60 | 59.7° | 173.0° |
| C23 | C19 | C24 | H61 | 60.3° | 67.0° |
| C23 | C19 | C24 | H62 | 179.7° | 52.9° |
| C19 | C23 | H63 | H64 | 120.0° | 120.0° |
| C19 | C23 | H63 | H65 | 120.0° | 120.1° |
| C19 | C23 | H64 | H65 | 120.0° | 120.0° |
| C50 | C51 | C54 | H28 | 120.7° | 120.0° |
| C50 | C51 | C54 | H29 | 120.8° | 120.0° |
| C50 | C51 | C54 | N55 | 147.9° | 65.0° |
| C50 | C51 | C54 | C75 | 19.1° | 175.0° |
| C50 | C51 | C54 | H11 | 95.9° | 55.0° |
| C50 | C51 | H28 | H29 | 117.6° | 120.0° |
| C51 | C50 | H30 | H31 | 119.5° | 120.0° |
| C51 | C50 | N49 | H32 | 16.3° | 0.0° |
| C59 | C57 | O56 | H21 | 119.3° | 120.0° |
| C59 | C57 | O56 | N55 | 125.0° | 117.0° |
| C57 | C59 | H22 | H23 | 120.0° | 120.0° |
| C57 | C59 | H22 | H24 | 120.0° | 120.0° |
| C57 | C59 | H23 | H24 | 120.0° | 120.0° |
| C59 | C57 | C58 | H25 | 180.0° | 180.0° |
| C59 | C57 | C58 | H26 | 60.0° | 60.0° |
| C59 | C57 | C58 | H27 | 60.0° | 60.1° |
| C51 | C54 | N55 | O56 | 34.1° | 52.2° |
| C51 | C54 | N55 | C75 | 126.3° | 120.0° |
| C51 | C54 | N55 | H11 | 115.9° | 120.0° |
| C51 | C54 | N55 | S60 | 141.8° | 127.8° |
| C51 | C54 | C75 | H11 | 114.7° | 120.0° |
| C51 | C54 | C75 | O78 | 75.5° | 124.9° |
| C51 | C54 | C75 | N76 | 103.9° | 55.2° |
| C54 | C51 | H28 | H29 | 117.7° | 120.0° |
| C54 | C51 | C50 | H30 | 7.9° | 60.0° |
| C54 | C51 | C50 | H31 | 127.5° | 60.0° |
| C57 | O56 | N55 | C54 | 85.8° | 93.4° |
| C57 | O56 | N55 | S60 | 98.2° | 86.6° |
| O56 | C57 | C59 | H22 | 58.4° | 178.7° |
| O56 | C57 | C59 | H23 | 61.6° | 61.3° |
| O56 | C57 | C59 | H24 | 178.4° | 58.7° |
| O56 | C57 | C58 | H25 | 58.6° | 59.9° |
| O56 | C57 | C58 | H26 | 178.6° | 180.0° |
| O56 | C57 | C58 | H27 | 61.4° | 60.0° |
| O56 | N55 | C54 | S60 | 175.9° | 180.0° |
| O56 | N55 | C54 | C75 | 92.3° | 67.8° |
| O56 | N55 | S60 | O62 | 16.9° | 163.4° |
| O56 | N55 | S60 | O61 | 131.5° | 30.5° |
| O56 | N55 | S60 | C63 | 105.9° | 83.1° |
| O56 | N55 | C54 | H11 | 149.9° | 172.2° |
| N55 | O56 | C57 | H21 | 5.7° | 3.0° |
| N55 | C54 | C75 | H11 | 117.9° | 120.0° |
| N55 | C54 | C75 | O78 | 51.9° | 4.8° |
| N55 | C54 | C75 | N76 | 128.7° | 175.2° |
| C54 | N55 | S60 | O62 | 159.0° | 16.6° |
| C54 | N55 | S60 | O61 | 44.4° | 149.6° |
| C54 | N55 | S60 | C63 | 78.2° | 96.9° |
| N55 | C54 | C51 | H28 | 91.4° | 175.0° |
| N55 | C54 | C51 | H29 | 27.1° | 55.0° |
| S60 | N55 | C54 | C75 | 91.8° | 112.2° |
| N55 | S60 | O62 | O61 | 117.2° | 123.0° |
| N55 | S60 | O62 | C63 | 126.2° | 114.1° |
| N55 | S60 | O61 | C63 | 125.8° | 114.1° |
| N55 | S60 | C63 | C64 | 76.3° | 90.3° |
| N55 | S60 | C63 | C68 | 104.8° | 90.0° |
| S60 | N55 | C54 | H11 | 26.0° | 7.8° |
| C54 | C75 | O78 | N76 | 179.4° | 180.0° |
| C54 | C75 | N76 | O77 | 178.8° | 179.9° |
| C54 | C75 | N76 | H9 | 1.2° | 0.1° |
| C75 | C54 | C51 | H28 | 139.8° | 55.0° |
| C75 | C54 | C51 | H29 | 101.7° | 65.0° |
| O78 | C75 | N76 | O77 | 1.8° | 0.1° |
| O78 | C75 | N76 | H9 | 178.2° | 180.0° |
| O78 | C75 | C54 | H11 | 169.8° | 115.1° |
| C75 | N76 | O77 | H9 | 180.0° | 179.9° |
| C75 | N76 | O77 | H10 | 0.8° | 180.0° |
| N76 | C75 | C54 | H11 | 10.8° | 64.8° |
| O62 | S60 | O61 | C63 | 116.4° | 122.9° |
| O62 | S60 | C63 | C64 | 47.2° | 23.3° |
| O62 | S60 | C63 | C68 | 131.8° | 156.4° |
| O61 | S60 | C63 | C64 | 161.2° | 156.2° |
| O61 | S60 | C63 | C68 | 17.8° | 23.5° |
| S60 | C63 | C64 | C68 | 179.0° | 179.7° |
| S60 | C63 | C64 | C65 | 179.7° | 179.7° |
| S60 | C63 | C68 | C67 | 179.8° | 180.0° |
| S60 | C63 | C68 | H12 | 0.2° | 0.1° |
| S60 | C63 | C64 | H20 | 0.3° | 0.0° |
| C63 | C64 | C65 | H20 | 180.0° | 179.7° |
| C63 | C64 | C65 | C66 | 0.4° | 0.6° |
| C64 | C63 | C68 | C67 | 0.8° | 0.3° |
| C64 | C63 | C68 | H12 | 179.2° | 179.8° |
| C63 | C64 | C65 | H19 | 179.6° | 179.7° |
| C65 | C64 | C63 | C68 | 0.7° | 0.6° |
| C64 | C65 | C66 | H19 | 180.0° | 179.7° |
| C64 | C65 | C66 | C67 | 0.2° | 0.2° |
| C64 | C65 | C66 | C69 | 179.8° | 179.6° |
| C63 | C68 | C67 | H12 | 180.0° | 179.9° |
| C63 | C68 | C67 | C66 | 0.6° | 0.0° |
| C63 | C68 | C67 | H13 | 179.4° | 180.0° |
| C68 | C63 | C64 | H20 | 179.3° | 179.7° |
| C65 | C66 | C67 | C68 | 0.2° | 0.0° |
| C65 | C66 | C67 | C69 | 179.7° | 179.9° |
| C65 | C66 | C69 | C70 | 33.6° | 179.7° |
| C65 | C66 | C69 | C74 | 146.7° | 0.1° |
| C65 | C66 | C67 | H13 | 179.8° | 180.0° |
| C66 | C65 | C64 | H20 | 179.6° | 179.7° |
| C68 | C67 | C66 | H13 | 180.0° | 180.0° |
| C68 | C67 | C66 | C69 | 179.9° | 179.9° |
| C67 | C66 | C69 | C70 | 146.1° | 0.4° |
| C67 | C66 | C69 | C74 | 33.6° | 180.0° |
| C66 | C67 | C68 | H12 | 179.4° | 179.9° |
| C67 | C66 | C65 | H19 | 179.9° | 180.0° |
| C66 | C69 | C70 | C74 | 179.7° | 179.6° |
| C66 | C69 | C70 | C71 | 179.9° | 179.8° |
| C66 | C69 | C74 | C73 | 180.0° | 179.9° |
| C69 | C66 | C67 | H13 | 0.1° | 0.1° |
| C66 | C69 | C74 | H14 | 0.0° | 0.1° |
| C66 | C69 | C70 | H18 | 0.1° | 0.1° |
| C69 | C66 | C65 | H19 | 0.2° | 0.1° |
| C69 | C70 | C71 | H18 | 180.0° | 179.6° |
| C69 | C70 | C71 | C72 | 0.2° | 0.6° |
| C70 | C69 | C74 | C73 | 0.2° | 0.3° |
| C70 | C69 | C74 | H14 | 179.8° | 179.7° |
| C69 | C70 | C71 | H17 | 179.8° | 179.7° |
| C71 | C70 | C69 | C74 | 0.2° | 0.7° |
| C70 | C71 | C72 | H17 | 180.0° | 179.7° |
| C70 | C71 | C72 | C73 | 0.3° | 0.3° |
| C70 | C71 | C72 | H16 | 179.7° | 179.7° |
| C69 | C74 | C73 | H14 | 180.0° | 180.0° |
| C69 | C74 | C73 | C72 | 0.3° | 0.0° |
| C69 | C74 | C73 | H15 | 179.7° | 180.0° |
| C74 | C69 | C70 | H18 | 179.8° | 179.7° |
| C71 | C72 | C73 | C74 | 0.3° | 0.0° |
| C71 | C72 | C73 | H16 | 180.0° | 179.9° |
| C71 | C72 | C73 | H15 | 179.7° | 180.0° |
| C72 | C71 | C70 | H18 | 179.8° | 179.7° |
| C74 | C73 | C72 | H15 | 180.0° | 180.0° |
| C74 | C73 | C72 | H16 | 179.7° | 179.9° |
| C72 | C73 | C74 | H14 | 179.7° | 180.0° |
| C73 | C72 | C71 | H17 | 179.7° | 180.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 0.2° | 0.3° |
| H5 | C9 | C10 | H66 | 0.1° | 0.3° |
| H6 | C11 | C12 | H7 | 0.3° | 0.2° |
| H6 | C11 | C10 | H66 | 0.3° | 0.3° |
| H7 | C12 | C13 | H8 | 0.2° | 0.2° |
| H9 | N76 | O77 | H10 | 179.1° | 0.1° |
| H11 | C54 | C51 | H28 | 24.9° | 65.0° |
| H11 | C54 | C51 | H29 | 143.4° | 175.0° |
| H12 | C68 | C67 | H13 | 0.6° | 0.1° |
| H14 | C74 | C73 | H15 | 0.3° | 0.0° |
| H15 | C73 | C72 | H16 | 0.4° | 0.0° |
| H16 | C72 | C71 | H17 | 0.3° | 0.1° |
| H17 | C71 | C70 | H18 | 0.2° | 0.0° |
| H19 | C65 | C64 | H20 | 0.4° | 0.0° |
| H21 | C57 | C59 | H22 | 61.6° | 61.3° |
| H21 | C57 | C59 | H23 | 178.4° | 58.6° |
| H21 | C57 | C59 | H24 | 58.4° | 178.6° |
| H21 | C57 | C58 | H25 | 61.6° | 60.0° |
| H21 | C57 | C58 | H26 | 58.5° | 60.0° |
| H21 | C57 | C58 | H27 | 178.5° | 180.0° |
| H22 | C59 | H23 | H24 | 120.0° | 120.0° |
| H25 | C58 | H26 | H27 | 119.9° | 119.9° |
| H28 | C51 | C50 | H30 | 112.9° | 180.0° |
| H28 | C51 | C50 | H31 | 6.7° | 60.0° |
| H29 | C51 | C50 | H30 | 128.6° | 60.0° |
| H29 | C51 | C50 | H31 | 111.7° | 180.0° |
| H30 | C50 | N49 | H32 | 136.4° | 120.0° |
| H31 | C50 | N49 | H32 | 103.9° | 120.0° |
| H33 | C47 | C46 | H35 | 162.4° | 180.0° |
| H33 | C47 | C46 | H36 | 43.0° | 60.0° |
| H34 | C47 | C46 | H35 | 79.0° | 60.0° |
| H34 | C47 | C46 | H36 | 161.6° | 180.0° |
| H35 | C46 | C45 | H37 | 153.7° | 180.0° |
| H35 | C46 | C45 | H38 | 87.1° | 60.0° |
| H36 | C46 | C45 | H37 | 34.2° | 60.0° |
| H36 | C46 | C45 | H38 | 153.5° | 179.9° |
| H37 | C45 | N44 | H39 | 113.0° | 120.0° |
| H38 | C45 | N44 | H39 | 127.7° | 120.0° |
| H41 | C40 | C41 | H42 | 0.2° | 0.1° |
| H42 | C41 | C42 | H43 | 0.1° | 0.1° |
| H44 | N33 | C32 | H45 | 132.8° | 120.0° |
| H44 | N33 | C32 | H46 | 108.8° | 119.9° |
| H45 | C32 | C31 | H47 | 126.6° | 180.0° |
| H45 | C32 | C31 | H48 | 113.7° | 60.0° |
| H46 | C32 | C31 | H47 | 115.0° | 60.0° |
| H46 | C32 | C31 | H48 | 4.7° | 180.0° |
| H47 | C31 | C30 | H49 | 157.6° | 180.0° |
| H47 | C31 | C30 | H50 | 39.3° | 60.0° |
| H48 | C31 | C30 | H49 | 82.6° | 59.9° |
| H48 | C31 | C30 | H50 | 159.1° | 179.9° |
| H51 | N28 | C27 | H52 | 138.5° | 120.1° |
| H51 | N28 | C27 | H53 | 101.3° | 120.0° |
| H52 | C27 | C26 | H54 | 140.6° | 180.0° |
| H52 | C27 | C26 | H55 | 100.7° | 60.0° |
| H53 | C27 | C26 | H54 | 99.2° | 60.0° |
| H53 | C27 | C26 | H55 | 19.5° | 180.0° |
| H54 | C26 | C20 | H56 | 147.9° | 175.0° |
| H55 | C26 | C20 | H56 | 29.2° | 65.0° |
| H57 | N22 | O23 | H58 | 175.0° | 0.1° |
| H59 | C19 | C24 | H60 | 59.9° | 53.0° |
| H59 | C19 | C24 | H61 | 179.9° | 173.0° |
| H59 | C19 | C24 | H62 | 60.1° | 67.1° |
| H59 | C19 | C23 | H63 | 59.0° | 60.0° |
| H59 | C19 | C23 | H64 | 61.1° | 60.0° |
| H59 | C19 | C23 | H65 | 179.0° | 180.0° |
| H60 | C24 | H61 | H62 | 120.0° | 120.1° |
| H63 | C23 | H64 | H65 | 120.0° | 120.0° |
