ZN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | N12 | doub | 1.32Å | 1.33Å | Aromatic |
| C42 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C41 | sing | 1.33Å | 1.31Å | Aromatic |
| C44 | C43 | sing | 1.51Å | 1.51Å | |
| C43 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C41 | N13 | sing | 1.39Å | 1.49Å | |
| C41 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C45 | sing | 1.39Å | 1.49Å | |
| C40 | N11 | sing | 1.33Å | 1.36Å | Aromatic |
| C40 | N10 | sing | 1.39Å | 1.49Å | |
| C45 | C46 | doub | 1.39Å | 1.40Å | Aromatic |
| C45 | C50 | sing | 1.39Å | 1.38Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| N10 | C32 | sing | 1.40Å | 1.48Å | |
| C50 | C49 | doub | 1.38Å | 1.40Å | Aromatic |
| C47 | C48 | doub | 1.40Å | 1.38Å | Aromatic |
| C49 | C48 | sing | 1.40Å | 1.39Å | Aromatic |
| C49 | F02 | sing | 1.35Å | 1.35Å | |
| C48 | C51 | sing | 1.47Å | 1.57Å | |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| O08 | C51 | doub | 1.22Å | 1.20Å | |
| C51 | N14 | sing | 1.35Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| O06 | S02 | doub | 1.42Å | 1.46Å | |
| C34 | N09 | sing | 1.40Å | 1.48Å | |
| C34 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.48Å | 1.55Å | |
| N14 | C52 | sing | 1.47Å | 1.48Å | |
| C36 | S02 | sing | 1.81Å | 1.78Å | |
| C36 | C39 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| S02 | N09 | sing | 1.66Å | 1.71Å | |
| S02 | O07 | doub | 1.42Å | 1.48Å | |
| O05 | C29 | doub | 1.21Å | 1.20Å | |
| C53 | C52 | sing | 1.53Å | 1.50Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C29 | N08 | sing | 1.35Å | 1.49Å | |
| C52 | C56 | sing | 1.53Å | 1.50Å | |
| C54 | N15 | sing | 1.47Å | 1.49Å | |
| N08 | C64 | sing | 1.46Å | 1.47Å | |
| C56 | C55 | sing | 1.53Å | 1.53Å | |
| O10 | C60 | sing | 1.43Å | 1.42Å | |
| O10 | C61 | sing | 1.43Å | 1.41Å | |
| N15 | C55 | sing | 1.47Å | 1.49Å | |
| C60 | C59 | sing | 1.53Å | 1.54Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C64 | C63 | sing | 1.53Å | 1.54Å | |
| C62 | O11 | sing | 1.43Å | 1.41Å | |
| CL01 | C04 | sing | 1.74Å | 1.80Å | |
| C59 | O09 | sing | 1.43Å | 1.41Å | |
| C63 | O11 | sing | 1.43Å | 1.42Å | |
| O09 | C58 | sing | 1.43Å | 1.41Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | doub | 1.39Å | 1.37Å | Aromatic |
| C58 | C57 | sing | 1.53Å | 1.54Å | |
| C05 | N05 | sing | 1.40Å | 1.46Å | |
| C05 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| N05 | S01 | sing | 1.66Å | 1.69Å | |
| C18 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | S01 | sing | 1.81Å | 1.80Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| O01 | S01 | doub | 1.42Å | 1.47Å | |
| C57 | C28 | sing | 1.51Å | 1.53Å | |
| S01 | O02 | doub | 1.42Å | 1.46Å | |
| C01 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C01 | N01 | sing | 1.40Å | 1.46Å | |
| C28 | O04 | doub | 1.21Å | 1.19Å | |
| C28 | N07 | sing | 1.35Å | 1.45Å | |
| C25 | N07 | sing | 1.47Å | 1.50Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| O03 | C22 | doub | 1.22Å | 1.20Å | |
| N07 | C26 | sing | 1.47Å | 1.51Å | |
| C27 | C23 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C23 | N06 | sing | 1.47Å | 1.48Å | |
| N01 | C07 | sing | 1.39Å | 1.47Å | |
| C22 | N06 | sing | 1.35Å | 1.47Å | |
| C22 | C15 | sing | 1.47Å | 1.54Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | N03 | doub | 1.33Å | 1.34Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| N03 | C10 | sing | 1.32Å | 1.31Å | Aromatic |
| C11 | C08 | sing | 1.51Å | 1.52Å | |
| C16 | F01 | sing | 1.35Å | 1.37Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N04 | sing | 1.39Å | 1.45Å | |
| C10 | N04 | sing | 1.39Å | 1.45Å | |
| C10 | N02 | doub | 1.32Å | 1.31Å | Aromatic |
| C09 | N02 | sing | 1.33Å | 1.32Å | Aromatic |
| C63 | H1 | sing | 1.09Å | 1.10Å | |
| C63 | H2 | sing | 1.09Å | 1.10Å | |
| C57 | H3 | sing | 1.09Å | 1.10Å | |
| C57 | H4 | sing | 1.09Å | 1.10Å | |
| C59 | H5 | sing | 1.09Å | 1.10Å | |
| C59 | H6 | sing | 1.09Å | 1.10Å | |
| C61 | H7 | sing | 1.09Å | 1.10Å | |
| C61 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| C39 | H11 | sing | 1.09Å | 1.10Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C55 | H15 | sing | 1.09Å | 1.10Å | |
| C55 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C53 | H20 | sing | 1.09Å | 1.10Å | |
| C53 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C02 | H23 | sing | 1.08Å | 1.08Å | |
| C03 | H24 | sing | 1.08Å | 1.08Å | |
| C06 | H25 | sing | 1.08Å | 1.08Å | |
| C09 | H26 | sing | 1.08Å | 1.08Å | |
| C13 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.08Å | 1.08Å | |
| C35 | H49 | sing | 1.08Å | 1.08Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C42 | H53 | sing | 1.08Å | 1.08Å | |
| C44 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C44 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.08Å | 1.08Å | |
| C47 | H58 | sing | 1.08Å | 1.08Å | |
| C50 | H59 | sing | 1.08Å | 1.08Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C54 | H61 | sing | 1.09Å | 1.10Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C56 | H63 | sing | 1.09Å | 1.10Å | |
| C56 | H64 | sing | 1.09Å | 1.10Å | |
| C58 | H65 | sing | 1.09Å | 1.10Å | |
| C58 | H66 | sing | 1.09Å | 1.10Å | |
| C60 | H67 | sing | 1.09Å | 1.10Å | |
| C60 | H68 | sing | 1.09Å | 1.10Å | |
| C62 | H69 | sing | 1.09Å | 1.10Å | |
| C62 | H70 | sing | 1.09Å | 1.10Å | |
| C64 | H71 | sing | 1.09Å | 1.10Å | |
| C64 | H72 | sing | 1.09Å | 1.10Å | |
| N01 | H73 | sing | 0.97Å | 1.00Å | |
| N04 | H74 | sing | 0.97Å | 1.00Å | |
| N05 | H75 | sing | 0.97Å | 1.00Å | |
| N06 | H76 | sing | 0.97Å | 1.00Å | |
| N08 | H77 | sing | 0.97Å | 1.00Å | |
| N09 | H78 | sing | 0.97Å | 1.00Å | |
| N10 | H79 | sing | 0.97Å | 1.00Å | |
| N13 | H80 | sing | 0.97Å | 1.00Å | |
| N14 | H81 | sing | 0.97Å | 1.00Å | |
| N15 | H82 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C42 | C43 | 117.7° | 119.3° |
| C42 | N12 | C41 | 122.4° | 120.9° |
| N12 | C42 | H53 | 121.1° | 120.3° |
| C42 | C43 | C44 | 118.5° | 120.8° |
| C42 | C43 | C40 | 120.0° | 118.5° |
| C43 | C42 | H53 | 121.2° | 120.3° |
| N12 | C41 | N13 | 114.1° | 119.1° |
| N12 | C41 | N11 | 122.3° | 121.7° |
| C44 | C43 | C40 | 121.5° | 120.7° |
| C43 | C44 | H54 | 109.5° | 109.5° |
| C43 | C44 | H55 | 109.5° | 109.6° |
| C43 | C44 | H56 | 109.5° | 109.4° |
| C43 | C40 | N11 | 118.5° | 119.0° |
| C43 | C40 | N10 | 117.5° | 120.5° |
| N13 | C41 | N11 | 123.6° | 119.2° |
| C41 | N13 | C45 | 128.5° | 120.0° |
| C41 | N13 | H80 | 115.7° | 119.9° |
| C41 | N11 | C40 | 119.2° | 120.6° |
| N13 | C45 | C46 | 119.0° | 119.9° |
| N13 | C45 | C50 | 121.6° | 119.9° |
| C45 | N13 | H80 | 115.7° | 120.1° |
| N11 | C40 | N10 | 124.0° | 120.4° |
| C40 | N10 | C32 | 124.4° | 120.0° |
| C40 | N10 | H79 | 117.8° | 119.9° |
| C46 | C45 | C50 | 119.4° | 120.2° |
| C45 | C46 | C47 | 121.9° | 120.2° |
| C45 | C46 | H57 | 119.0° | 120.0° |
| C45 | C50 | C49 | 118.2° | 120.1° |
| C45 | C50 | H59 | 120.9° | 119.9° |
| C46 | C47 | C48 | 118.8° | 120.0° |
| C47 | C46 | H57 | 119.1° | 119.9° |
| C46 | C47 | H58 | 120.6° | 120.0° |
| N10 | C32 | C33 | 118.8° | 119.9° |
| N10 | C32 | C31 | 122.5° | 120.0° |
| C32 | N10 | H79 | 117.8° | 120.0° |
| C50 | C49 | C48 | 123.0° | 119.8° |
| C50 | C49 | F02 | 117.0° | 120.1° |
| C49 | C50 | H59 | 120.9° | 120.0° |
| C47 | C48 | C49 | 118.7° | 119.8° |
| C47 | C48 | C51 | 121.1° | 120.1° |
| C48 | C47 | H58 | 120.6° | 120.0° |
| C48 | C49 | F02 | 120.0° | 120.1° |
| C49 | C48 | C51 | 120.1° | 120.1° |
| C48 | C51 | O08 | 122.7° | 120.0° |
| C48 | C51 | N14 | 115.7° | 120.0° |
| C33 | C32 | C31 | 118.7° | 120.1° |
| C32 | C33 | C34 | 120.9° | 120.1° |
| C32 | C33 | H48 | 119.6° | 120.0° |
| C32 | C31 | C30 | 121.3° | 119.9° |
| C32 | C31 | H22 | 119.4° | 120.0° |
| C33 | C34 | N09 | 120.1° | 120.0° |
| C33 | C34 | C35 | 119.9° | 120.1° |
| C34 | C33 | H48 | 119.6° | 119.9° |
| C31 | C30 | C35 | 118.0° | 119.9° |
| C31 | C30 | C29 | 124.4° | 120.1° |
| C30 | C31 | H22 | 119.4° | 120.1° |
| O08 | C51 | N14 | 121.6° | 120.0° |
| C51 | N14 | C52 | 128.3° | 120.0° |
| C51 | N14 | H81 | 115.8° | 120.0° |
| C37 | C36 | S02 | 108.3° | 109.5° |
| C37 | C36 | C39 | 114.4° | 109.4° |
| C37 | C36 | C38 | 114.0° | 109.5° |
| C36 | C37 | H12 | 109.5° | 109.5° |
| C36 | C37 | H13 | 109.5° | 109.5° |
| C36 | C37 | H14 | 109.5° | 109.5° |
| O06 | S02 | C36 | 106.1° | 110.5° |
| O06 | S02 | N09 | 112.5° | 104.3° |
| O06 | S02 | O07 | 104.8° | 121.0° |
| N09 | C34 | C35 | 120.0° | 119.9° |
| C34 | N09 | S02 | 118.4° | 120.0° |
| C34 | N09 | H78 | 107.2° | 120.0° |
| C34 | C35 | C30 | 121.2° | 119.9° |
| C34 | C35 | H49 | 119.4° | 120.1° |
| C35 | C30 | C29 | 117.6° | 120.1° |
| C30 | C35 | H49 | 119.4° | 120.0° |
| C30 | C29 | O05 | 120.6° | 120.0° |
| C30 | C29 | N08 | 118.1° | 120.0° |
| N14 | C52 | C53 | 110.5° | 109.5° |
| N14 | C52 | C56 | 104.4° | 109.5° |
| N14 | C52 | H60 | 108.6° | 109.6° |
| C52 | N14 | H81 | 115.8° | 120.0° |
| S02 | C36 | C39 | 100.0° | 109.5° |
| S02 | C36 | C38 | 103.0° | 109.5° |
| C36 | S02 | N09 | 109.0° | 104.5° |
| C36 | S02 | O07 | 108.0° | 110.5° |
| C39 | C36 | C38 | 115.1° | 109.5° |
| C36 | C39 | H9 | 109.5° | 109.4° |
| C36 | C39 | H10 | 109.5° | 109.4° |
| C36 | C39 | H11 | 109.5° | 109.5° |
| C36 | C38 | H50 | 109.5° | 109.4° |
| C36 | C38 | H51 | 109.4° | 109.5° |
| C36 | C38 | H52 | 109.5° | 109.5° |
| N09 | S02 | O07 | 115.9° | 104.3° |
| S02 | N09 | H78 | 107.2° | 120.0° |
| O05 | C29 | N08 | 121.3° | 120.0° |
| C52 | C53 | C54 | 112.8° | 109.3° |
| C53 | C52 | C56 | 116.4° | 109.2° |
| C52 | C53 | H20 | 108.6° | 109.5° |
| C52 | C53 | H21 | 108.6° | 109.5° |
| C53 | C52 | H60 | 108.4° | 109.5° |
| C53 | C54 | N15 | 111.4° | 109.6° |
| C54 | C53 | H20 | 108.6° | 109.5° |
| C54 | C53 | H21 | 108.6° | 109.5° |
| C53 | C54 | H61 | 109.0° | 109.5° |
| C53 | C54 | H62 | 109.0° | 109.5° |
| C29 | N08 | C64 | 125.8° | 120.0° |
| C29 | N08 | H77 | 117.1° | 120.0° |
| C52 | C56 | C55 | 117.4° | 109.3° |
| C56 | C52 | H60 | 108.3° | 109.5° |
| C52 | C56 | H63 | 107.4° | 109.5° |
| C52 | C56 | H64 | 107.5° | 109.5° |
| C54 | N15 | C55 | 111.3° | 111.2° |
| N15 | C54 | H61 | 109.0° | 109.4° |
| N15 | C54 | H62 | 109.0° | 109.4° |
| C54 | N15 | H82 | 109.0° | 111.0° |
| N08 | C64 | C63 | 114.2° | 109.5° |
| N08 | C64 | H71 | 108.3° | 109.5° |
| N08 | C64 | H72 | 108.3° | 109.5° |
| C64 | N08 | H77 | 117.1° | 120.0° |
| C56 | C55 | N15 | 114.1° | 109.5° |
| C56 | C55 | H15 | 108.3° | 109.5° |
| C56 | C55 | H16 | 108.3° | 109.5° |
| C55 | C56 | H63 | 107.5° | 109.5° |
| C55 | C56 | H64 | 107.5° | 109.5° |
| C60 | O10 | C61 | 113.8° | 114.0° |
| O10 | C60 | C59 | 111.9° | 109.5° |
| O10 | C60 | H67 | 108.9° | 109.5° |
| O10 | C60 | H68 | 108.9° | 109.5° |
| O10 | C61 | C62 | 112.2° | 109.5° |
| O10 | C61 | H7 | 108.8° | 109.4° |
| O10 | C61 | H8 | 108.8° | 109.5° |
| N15 | C55 | H15 | 108.3° | 109.5° |
| N15 | C55 | H16 | 108.3° | 109.4° |
| C55 | N15 | H82 | 109.0° | 111.0° |
| C60 | C59 | O09 | 112.0° | 109.5° |
| C60 | C59 | H5 | 108.8° | 109.5° |
| C60 | C59 | H6 | 108.9° | 109.5° |
| C59 | C60 | H67 | 108.9° | 109.5° |
| C59 | C60 | H68 | 108.9° | 109.5° |
| C61 | C62 | O11 | 111.6° | 109.4° |
| C62 | C61 | H7 | 108.8° | 109.5° |
| C62 | C61 | H8 | 108.8° | 109.5° |
| C61 | C62 | H69 | 108.9° | 109.5° |
| C61 | C62 | H70 | 109.0° | 109.5° |
| C64 | C63 | O11 | 113.9° | 109.4° |
| C64 | C63 | H1 | 108.4° | 109.5° |
| C64 | C63 | H2 | 108.4° | 109.4° |
| C63 | C64 | H71 | 108.3° | 109.5° |
| C63 | C64 | H72 | 108.3° | 109.4° |
| C62 | O11 | C63 | 116.7° | 113.9° |
| O11 | C62 | H69 | 109.0° | 109.5° |
| O11 | C62 | H70 | 109.0° | 109.5° |
| CL01 | C04 | C03 | 118.6° | 120.0° |
| CL01 | C04 | C05 | 122.4° | 120.0° |
| C59 | O09 | C58 | 114.8° | 114.0° |
| O09 | C59 | H5 | 108.9° | 109.5° |
| O09 | C59 | H6 | 108.8° | 109.4° |
| O11 | C63 | H1 | 108.4° | 109.5° |
| O11 | C63 | H2 | 108.3° | 109.5° |
| O09 | C58 | C57 | 109.5° | 109.4° |
| O09 | C58 | H65 | 109.5° | 109.5° |
| O09 | C58 | H66 | 109.4° | 109.5° |
| C20 | C18 | C21 | 112.9° | 109.5° |
| C20 | C18 | S01 | 104.1° | 109.5° |
| C20 | C18 | C19 | 105.9° | 109.4° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C04 | C03 | C02 | 120.8° | 120.1° |
| C03 | C04 | C05 | 119.1° | 120.1° |
| C04 | C03 | H24 | 119.6° | 120.0° |
| C03 | C02 | C01 | 120.0° | 120.1° |
| C03 | C02 | H23 | 120.0° | 119.9° |
| C02 | C03 | H24 | 119.6° | 119.9° |
| C04 | C05 | N05 | 121.9° | 120.0° |
| C04 | C05 | C06 | 119.5° | 119.9° |
| C02 | C01 | C06 | 119.5° | 119.9° |
| C02 | C01 | N01 | 119.9° | 120.0° |
| C01 | C02 | H23 | 120.0° | 119.9° |
| C58 | C57 | C28 | 112.4° | 109.5° |
| C58 | C57 | H3 | 108.8° | 109.5° |
| C58 | C57 | H4 | 108.7° | 109.4° |
| C57 | C58 | H65 | 109.4° | 109.5° |
| C57 | C58 | H66 | 109.5° | 109.4° |
| N05 | C05 | C06 | 118.4° | 120.0° |
| C05 | N05 | S01 | 126.4° | 120.0° |
| C05 | N05 | H75 | 105.1° | 120.0° |
| C05 | C06 | C01 | 121.1° | 119.9° |
| C05 | C06 | H25 | 119.5° | 120.1° |
| N05 | S01 | C18 | 105.3° | 104.4° |
| N05 | S01 | O01 | 111.0° | 104.3° |
| N05 | S01 | O02 | 109.2° | 104.3° |
| S01 | N05 | H75 | 105.1° | 120.0° |
| C21 | C18 | S01 | 111.4° | 109.5° |
| C21 | C18 | C19 | 111.4° | 109.5° |
| C18 | C21 | H36 | 109.5° | 109.5° |
| C18 | C21 | H37 | 109.5° | 109.5° |
| C18 | C21 | H38 | 109.4° | 109.5° |
| S01 | C18 | C19 | 110.7° | 109.5° |
| C18 | S01 | O01 | 114.4° | 110.5° |
| C18 | S01 | O02 | 111.1° | 110.6° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C18 | C19 | H32 | 109.5° | 109.5° |
| O01 | S01 | O02 | 105.8° | 121.0° |
| C57 | C28 | O04 | 120.5° | 120.0° |
| C57 | C28 | N07 | 121.9° | 120.1° |
| C28 | C57 | H3 | 108.7° | 109.5° |
| C28 | C57 | H4 | 108.7° | 109.5° |
| C06 | C01 | N01 | 120.5° | 120.0° |
| C01 | C06 | H25 | 119.5° | 120.1° |
| C01 | N01 | C07 | 117.6° | 120.0° |
| C01 | N01 | H73 | 121.2° | 119.9° |
| O04 | C28 | N07 | 117.6° | 120.0° |
| C28 | N07 | C25 | 124.9° | 120.6° |
| C28 | N07 | C26 | 121.6° | 120.6° |
| N07 | C25 | C24 | 111.4° | 108.8° |
| C25 | N07 | C26 | 113.5° | 118.8° |
| N07 | C25 | H42 | 109.0° | 109.6° |
| N07 | C25 | H43 | 109.0° | 109.5° |
| C25 | C24 | C23 | 107.0° | 109.3° |
| C25 | C24 | H40 | 110.1° | 109.5° |
| C25 | C24 | H41 | 110.1° | 109.5° |
| C24 | C25 | H42 | 109.0° | 109.6° |
| C24 | C25 | H43 | 109.0° | 109.6° |
| O03 | C22 | N06 | 119.7° | 120.0° |
| O03 | C22 | C15 | 119.0° | 120.0° |
| N07 | C26 | C27 | 114.7° | 108.8° |
| N07 | C26 | H44 | 108.2° | 109.5° |
| N07 | C26 | H45 | 108.1° | 109.7° |
| C23 | C27 | C26 | 114.7° | 109.3° |
| C27 | C23 | C24 | 114.7° | 109.5° |
| C27 | C23 | N06 | 110.4° | 109.5° |
| C27 | C23 | H39 | 105.0° | 109.4° |
| C23 | C27 | H46 | 108.2° | 109.5° |
| C23 | C27 | H47 | 108.1° | 109.5° |
| C27 | C26 | H44 | 108.1° | 109.6° |
| C27 | C26 | H45 | 108.2° | 109.6° |
| C26 | C27 | H46 | 108.2° | 109.6° |
| C26 | C27 | H47 | 108.2° | 109.5° |
| C24 | C23 | N06 | 115.2° | 109.4° |
| C24 | C23 | H39 | 105.1° | 109.5° |
| C23 | C24 | H40 | 110.1° | 109.5° |
| C23 | C24 | H41 | 110.1° | 109.5° |
| C23 | N06 | C22 | 117.4° | 120.0° |
| N06 | C23 | H39 | 105.2° | 109.5° |
| C23 | N06 | H76 | 121.3° | 120.1° |
| N01 | C07 | N03 | 120.3° | 120.5° |
| N01 | C07 | C08 | 119.0° | 120.5° |
| C07 | N01 | H73 | 121.2° | 120.1° |
| N06 | C22 | C15 | 121.2° | 120.0° |
| C22 | N06 | H76 | 121.3° | 120.0° |
| C22 | C15 | C14 | 119.3° | 120.2° |
| C22 | C15 | C16 | 121.0° | 120.1° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | C16 | 119.6° | 119.8° |
| C15 | C14 | H28 | 119.8° | 119.9° |
| C14 | C13 | C12 | 119.7° | 120.2° |
| C14 | C13 | H27 | 120.1° | 119.9° |
| C13 | C14 | H28 | 119.8° | 120.1° |
| C15 | C16 | F01 | 120.2° | 120.1° |
| C15 | C16 | C17 | 119.7° | 119.9° |
| N03 | C07 | C08 | 120.6° | 119.0° |
| C07 | N03 | C10 | 120.3° | 120.6° |
| C07 | C08 | C11 | 123.1° | 120.8° |
| C07 | C08 | C09 | 116.4° | 118.5° |
| C13 | C12 | C17 | 120.3° | 120.2° |
| C13 | C12 | N04 | 121.1° | 119.9° |
| C12 | C13 | H27 | 120.1° | 119.9° |
| N03 | C10 | N04 | 124.3° | 119.2° |
| N03 | C10 | N02 | 120.4° | 121.6° |
| C11 | C08 | C09 | 120.5° | 120.7° |
| C08 | C11 | H17 | 109.5° | 109.4° |
| C08 | C11 | H18 | 109.4° | 109.5° |
| C08 | C11 | H19 | 109.5° | 109.4° |
| F01 | C16 | C17 | 120.2° | 120.0° |
| C16 | C17 | C12 | 120.3° | 120.0° |
| C16 | C17 | H29 | 119.8° | 120.0° |
| C08 | C09 | N02 | 120.1° | 119.3° |
| C08 | C09 | H26 | 120.0° | 120.4° |
| C17 | C12 | N04 | 118.5° | 119.9° |
| C12 | C17 | H29 | 119.9° | 120.0° |
| C12 | N04 | C10 | 129.8° | 120.0° |
| C12 | N04 | H74 | 115.1° | 120.0° |
| N04 | C10 | N02 | 115.3° | 119.2° |
| C10 | N04 | H74 | 115.1° | 120.0° |
| C10 | N02 | C09 | 122.1° | 120.9° |
| N02 | C09 | H26 | 120.0° | 120.3° |
| H1 | C63 | H2 | 109.5° | 109.5° |
| H3 | C57 | H4 | 109.5° | 109.5° |
| H5 | C59 | H6 | 109.5° | 109.5° |
| H7 | C61 | H8 | 109.5° | 109.5° |
| H9 | C39 | H10 | 109.4° | 109.5° |
| H9 | C39 | H11 | 109.4° | 109.6° |
| H10 | C39 | H11 | 109.5° | 109.5° |
| H12 | C37 | H13 | 109.4° | 109.5° |
| H12 | C37 | H14 | 109.4° | 109.5° |
| H13 | C37 | H14 | 109.4° | 109.4° |
| H15 | C55 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C53 | H21 | 109.5° | 109.6° |
| H30 | C19 | H31 | 109.4° | 109.4° |
| H30 | C19 | H32 | 109.5° | 109.4° |
| H31 | C19 | H32 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.4° | 109.4° |
| H33 | C20 | H35 | 109.5° | 109.5° |
| H34 | C20 | H35 | 109.5° | 109.4° |
| H36 | C21 | H37 | 109.5° | 109.4° |
| H36 | C21 | H38 | 109.5° | 109.4° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H40 | C24 | H41 | 109.5° | 109.6° |
| H42 | C25 | H43 | 109.5° | 109.7° |
| H44 | C26 | H45 | 109.5° | 109.6° |
| H46 | C27 | H47 | 109.5° | 109.5° |
| H50 | C38 | H51 | 109.5° | 109.5° |
| H50 | C38 | H52 | 109.4° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H54 | C44 | H55 | 109.5° | 109.5° |
| H54 | C44 | H56 | 109.4° | 109.5° |
| H55 | C44 | H56 | 109.5° | 109.4° |
| H61 | C54 | H62 | 109.4° | 109.5° |
| H63 | C56 | H64 | 109.4° | 109.6° |
| H65 | C58 | H66 | 109.5° | 109.5° |
| H67 | C60 | H68 | 109.5° | 109.5° |
| H69 | C62 | H70 | 109.4° | 109.5° |
| H71 | C64 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C42 | C43 | H53 | 180.0° | 180.0° |
| N12 | C42 | C43 | C44 | 179.4° | 180.0° |
| N12 | C42 | C43 | C40 | 0.0° | 0.2° |
| C42 | N12 | C41 | N13 | 179.3° | 180.0° |
| C42 | N12 | C41 | N11 | 1.3° | 0.2° |
| C43 | C42 | N12 | C41 | 1.0° | 0.0° |
| C42 | C43 | C44 | C40 | 179.4° | 179.7° |
| C42 | C43 | C40 | N11 | 0.7° | 0.3° |
| C42 | C43 | C40 | N10 | 179.8° | 179.8° |
| C42 | C43 | C44 | H54 | 89.7° | 90.0° |
| C42 | C43 | C44 | H55 | 150.2° | 150.0° |
| C42 | C43 | C44 | H56 | 30.2° | 30.0° |
| N12 | C41 | N13 | N11 | 178.0° | 179.8° |
| N12 | C41 | N13 | C45 | 164.9° | 2.0° |
| N12 | C41 | N11 | C40 | 0.6° | 0.2° |
| C41 | N12 | C42 | H53 | 179.0° | 180.0° |
| N12 | C41 | N13 | H80 | 15.2° | 178.0° |
| C44 | C43 | C40 | N11 | 179.9° | 180.0° |
| C44 | C43 | C40 | N10 | 0.4° | 0.0° |
| C44 | C43 | C42 | H53 | 0.6° | 0.0° |
| C43 | C44 | H54 | H55 | 120.0° | 120.1° |
| C43 | C44 | H54 | H56 | 120.0° | 119.9° |
| C43 | C44 | H55 | H56 | 120.0° | 120.0° |
| C43 | C40 | N11 | C41 | 0.4° | 0.0° |
| C43 | C40 | N11 | N10 | 179.5° | 179.9° |
| C43 | C40 | N10 | C32 | 178.1° | 178.5° |
| C40 | C43 | C42 | H53 | 179.9° | 179.7° |
| C40 | C43 | C44 | H54 | 89.7° | 90.3° |
| C40 | C43 | C44 | H55 | 30.3° | 29.8° |
| C40 | C43 | C44 | H56 | 150.3° | 149.8° |
| C43 | C40 | N10 | H79 | 1.9° | 1.6° |
| C41 | N13 | C45 | H80 | 180.0° | 179.9° |
| N13 | C41 | N11 | C40 | 178.4° | 180.0° |
| C41 | N13 | C45 | C46 | 163.8° | 152.3° |
| C41 | N13 | C45 | C50 | 16.7° | 28.1° |
| N11 | C41 | N13 | C45 | 17.2° | 177.8° |
| C41 | N11 | C40 | N10 | 179.9° | 180.0° |
| N11 | C41 | N13 | H80 | 162.8° | 2.2° |
| N13 | C45 | C46 | C50 | 179.5° | 179.7° |
| N13 | C45 | C46 | C47 | 179.5° | 179.7° |
| N13 | C45 | C50 | C49 | 179.4° | 179.7° |
| N13 | C45 | C46 | H57 | 0.5° | 0.3° |
| N13 | C45 | C50 | H59 | 0.6° | 0.3° |
| N11 | C40 | N10 | C32 | 1.4° | 1.5° |
| N11 | C40 | N10 | H79 | 178.6° | 178.5° |
| C40 | N10 | C32 | H79 | 180.0° | 179.9° |
| C40 | N10 | C32 | C33 | 28.9° | 144.9° |
| C40 | N10 | C32 | C31 | 151.1° | 35.1° |
| C45 | C46 | C47 | H57 | 180.0° | 180.0° |
| C46 | C45 | C50 | C49 | 0.0° | 0.0° |
| C45 | C46 | C47 | C48 | 0.5° | 0.0° |
| C45 | C46 | C47 | H58 | 179.5° | 180.0° |
| C46 | C45 | C50 | H59 | 180.0° | 179.9° |
| C46 | C45 | N13 | H80 | 16.2° | 27.7° |
| C50 | C45 | C46 | C47 | 0.0° | 0.0° |
| C45 | C50 | C49 | H59 | 180.0° | 179.9° |
| C45 | C50 | C49 | C48 | 0.3° | 0.0° |
| C45 | C50 | C49 | F02 | 179.9° | 180.0° |
| C50 | C45 | C46 | H57 | 180.0° | 180.0° |
| C50 | C45 | N13 | H80 | 163.3° | 152.0° |
| C46 | C47 | C48 | H58 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.9° | 0.0° |
| C46 | C47 | C48 | C51 | 180.0° | 180.0° |
| N10 | C32 | C33 | C31 | 180.0° | 180.0° |
| N10 | C32 | C33 | C34 | 179.6° | 180.0° |
| N10 | C32 | C31 | C30 | 179.7° | 180.0° |
| N10 | C32 | C31 | H22 | 0.3° | 0.3° |
| N10 | C32 | C33 | H48 | 0.4° | 0.0° |
| C50 | C49 | C48 | C47 | 0.8° | 0.1° |
| C50 | C49 | C48 | F02 | 179.7° | 180.0° |
| C50 | C49 | C48 | C51 | 179.9° | 179.9° |
| C47 | C48 | C49 | C51 | 179.1° | 180.0° |
| C47 | C48 | C49 | F02 | 179.4° | 180.0° |
| C47 | C48 | C51 | O08 | 28.5° | 180.0° |
| C47 | C48 | C51 | N14 | 151.8° | 0.0° |
| C48 | C47 | C46 | H57 | 179.5° | 180.0° |
| C49 | C48 | C51 | O08 | 152.4° | 0.0° |
| C49 | C48 | C51 | N14 | 27.3° | 180.0° |
| C49 | C48 | C47 | H58 | 179.1° | 180.0° |
| C48 | C49 | C50 | H59 | 179.6° | 180.0° |
| F02 | C49 | C48 | C51 | 0.3° | 0.0° |
| F02 | C49 | C50 | H59 | 0.1° | 0.0° |
| C48 | C51 | O08 | N14 | 179.7° | 179.9° |
| C48 | C51 | N14 | C52 | 179.4° | 180.0° |
| C51 | C48 | C47 | H58 | 0.0° | 0.0° |
| C48 | C51 | N14 | H81 | 0.6° | 0.0° |
| C32 | C33 | C34 | H48 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.0° |
| C32 | C33 | C34 | N09 | 179.9° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.2° |
| C33 | C32 | C31 | H22 | 179.7° | 179.7° |
| C33 | C32 | N10 | H79 | 151.1° | 35.2° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C32 | C31 | C30 | H22 | 180.0° | 179.7° |
| C32 | C31 | C30 | C35 | 0.2° | 0.3° |
| C32 | C31 | C30 | C29 | 179.3° | 179.7° |
| C31 | C32 | C33 | H48 | 179.6° | 180.0° |
| C31 | C32 | N10 | H79 | 28.9° | 144.8° |
| C33 | C34 | N09 | C35 | 179.9° | 179.9° |
| C33 | C34 | C35 | C30 | 0.5° | 0.5° |
| C33 | C34 | N09 | S02 | 45.7° | 139.1° |
| C33 | C34 | C35 | H49 | 179.5° | 180.0° |
| C33 | C34 | N09 | H78 | 75.6° | 40.8° |
| C31 | C30 | C35 | C34 | 0.6° | 0.5° |
| C31 | C30 | C35 | C29 | 179.2° | 180.0° |
| C31 | C30 | C29 | O05 | 13.2° | 174.6° |
| C31 | C30 | C29 | N08 | 166.3° | 5.5° |
| C31 | C30 | C35 | H49 | 179.4° | 180.0° |
| O08 | C51 | N14 | C52 | 0.9° | 0.0° |
| O08 | C51 | N14 | H81 | 179.1° | 180.0° |
| C51 | N14 | C52 | H81 | 180.0° | 180.0° |
| C51 | N14 | C52 | C53 | 61.4° | 155.0° |
| C51 | N14 | C52 | C56 | 172.8° | 85.3° |
| C51 | N14 | C52 | H60 | 57.4° | 34.8° |
| C37 | C36 | S02 | O06 | 4.3° | 178.8° |
| C37 | C36 | S02 | C39 | 120.0° | 120.0° |
| C37 | C36 | S02 | C38 | 121.1° | 120.0° |
| C37 | C36 | C39 | C38 | 134.9° | 120.0° |
| C37 | C36 | S02 | N09 | 117.1° | 67.2° |
| C37 | C36 | S02 | O07 | 116.2° | 44.5° |
| C37 | C36 | C39 | H9 | 180.0° | 60.1° |
| C37 | C36 | C39 | H10 | 60.0° | 180.0° |
| C37 | C36 | C39 | H11 | 60.0° | 60.0° |
| C36 | C37 | H12 | H13 | 120.0° | 120.1° |
| C36 | C37 | H12 | H14 | 120.0° | 120.0° |
| C36 | C37 | H13 | H14 | 120.0° | 120.0° |
| C37 | C36 | C38 | H50 | 180.0° | 55.2° |
| C37 | C36 | C38 | H51 | 60.0° | 175.1° |
| C37 | C36 | C38 | H52 | 60.0° | 64.8° |
| O06 | S02 | N09 | C34 | 32.4° | 176.7° |
| O06 | S02 | C36 | N09 | 121.4° | 111.6° |
| O06 | S02 | C36 | O07 | 111.9° | 136.7° |
| O06 | S02 | C36 | C39 | 124.3° | 61.3° |
| O06 | S02 | C36 | C38 | 116.8° | 58.7° |
| O06 | S02 | N09 | O07 | 120.6° | 127.9° |
| O06 | S02 | N09 | H78 | 88.9° | 3.4° |
| N09 | C34 | C35 | C30 | 179.6° | 179.7° |
| C34 | N09 | S02 | C36 | 149.8° | 67.2° |
| C34 | N09 | S02 | H78 | 121.3° | 179.9° |
| C34 | N09 | S02 | O07 | 88.2° | 48.9° |
| N09 | C34 | C33 | H48 | 0.1° | 0.1° |
| N09 | C34 | C35 | H49 | 0.5° | 0.1° |
| C34 | C35 | C30 | H49 | 180.0° | 179.5° |
| C34 | C35 | C30 | C29 | 179.8° | 179.5° |
| C35 | C34 | N09 | S02 | 134.4° | 40.8° |
| C35 | C34 | C33 | H48 | 180.0° | 179.8° |
| C35 | C34 | N09 | H78 | 104.3° | 139.3° |
| C35 | C30 | C29 | O05 | 167.6° | 5.4° |
| C35 | C30 | C29 | N08 | 12.8° | 174.5° |
| C35 | C30 | C31 | H22 | 179.8° | 180.0° |
| C30 | C29 | O05 | N08 | 179.5° | 179.9° |
| C30 | C29 | N08 | C64 | 178.9° | 174.9° |
| C29 | C30 | C31 | H22 | 0.7° | 0.0° |
| C29 | C30 | C35 | H49 | 0.2° | 0.0° |
| C30 | C29 | N08 | H77 | 1.1° | 5.1° |
| N14 | C52 | C53 | C56 | 118.8° | 119.9° |
| N14 | C52 | C53 | H60 | 118.9° | 120.2° |
| N14 | C52 | C53 | C54 | 157.3° | 177.6° |
| N14 | C52 | C56 | H60 | 115.6° | 120.2° |
| N14 | C52 | C56 | C55 | 151.4° | 177.6° |
| N14 | C52 | C53 | H20 | 82.2° | 62.5° |
| N14 | C52 | C53 | H21 | 36.8° | 57.7° |
| N14 | C52 | C56 | H63 | 30.3° | 62.5° |
| N14 | C52 | C56 | H64 | 87.4° | 57.6° |
| S02 | C36 | C39 | C38 | 109.6° | 120.0° |
| C36 | S02 | N09 | O07 | 122.0° | 116.1° |
| S02 | C36 | C39 | H9 | 64.5° | 59.9° |
| S02 | C36 | C39 | H10 | 175.5° | 60.0° |
| S02 | C36 | C39 | H11 | 55.5° | 180.0° |
| S02 | C36 | C37 | H12 | 180.0° | 60.0° |
| S02 | C36 | C37 | H13 | 60.0° | 180.0° |
| S02 | C36 | C37 | H14 | 60.0° | 60.0° |
| S02 | C36 | C38 | H50 | 62.9° | 175.2° |
| S02 | C36 | C38 | H51 | 57.1° | 64.9° |
| S02 | C36 | C38 | H52 | 177.1° | 55.2° |
| C36 | S02 | N09 | H78 | 28.5° | 112.7° |
| C39 | C36 | S02 | N09 | 2.9° | 172.9° |
| C39 | C36 | S02 | O07 | 123.8° | 75.5° |
| C36 | C39 | H9 | H10 | 120.0° | 119.9° |
| C36 | C39 | H9 | H11 | 120.0° | 120.0° |
| C36 | C39 | H10 | H11 | 120.0° | 120.0° |
| C39 | C36 | C37 | H12 | 69.4° | 60.1° |
| C39 | C36 | C37 | H13 | 170.6° | 60.0° |
| C39 | C36 | C37 | H14 | 50.6° | 179.9° |
| C39 | C36 | C38 | H50 | 44.9° | 64.8° |
| C39 | C36 | C38 | H51 | 165.0° | 55.2° |
| C39 | C36 | C38 | H52 | 75.0° | 175.2° |
| C38 | C36 | S02 | N09 | 121.8° | 52.9° |
| C38 | C36 | S02 | O07 | 4.9° | 164.5° |
| C38 | C36 | C39 | H9 | 45.1° | 180.0° |
| C38 | C36 | C39 | H10 | 74.9° | 60.0° |
| C38 | C36 | C39 | H11 | 165.1° | 60.0° |
| C38 | C36 | C37 | H12 | 66.0° | 180.0° |
| C38 | C36 | C37 | H13 | 54.0° | 60.0° |
| C38 | C36 | C37 | H14 | 174.0° | 60.0° |
| C36 | C38 | H50 | H51 | 120.0° | 120.0° |
| C36 | C38 | H50 | H52 | 120.0° | 120.0° |
| C36 | C38 | H51 | H52 | 120.0° | 120.0° |
| O07 | S02 | N09 | H78 | 150.5° | 131.2° |
| O05 | C29 | N08 | C64 | 0.6° | 5.2° |
| O05 | C29 | N08 | H77 | 179.4° | 174.9° |
| C52 | C53 | C54 | H20 | 120.5° | 119.9° |
| C52 | C53 | C54 | H21 | 120.5° | 119.9° |
| C53 | C52 | C56 | H60 | 122.4° | 119.9° |
| C52 | C53 | C54 | N15 | 54.4° | 59.2° |
| C53 | C52 | C56 | C55 | 29.4° | 57.7° |
| C52 | C53 | H20 | H21 | 118.5° | 120.1° |
| C52 | C53 | C54 | H61 | 65.9° | 60.8° |
| C52 | C53 | C54 | H62 | 174.7° | 179.2° |
| C53 | C52 | C56 | H63 | 91.8° | 177.6° |
| C53 | C52 | C56 | H64 | 150.5° | 62.3° |
| C53 | C52 | N14 | H81 | 118.6° | 25.0° |
| C54 | C53 | C52 | C56 | 38.5° | 57.7° |
| C53 | C54 | N15 | H61 | 120.3° | 120.1° |
| C53 | C54 | N15 | H62 | 120.3° | 120.0° |
| C53 | C54 | N15 | C55 | 60.5° | 61.8° |
| C54 | C53 | H20 | H21 | 118.5° | 120.1° |
| C54 | C53 | C52 | H60 | 83.8° | 62.2° |
| C53 | C54 | H61 | H62 | 119.1° | 120.0° |
| C53 | C54 | N15 | H82 | 179.2° | 174.2° |
| C29 | N08 | C64 | H77 | 180.0° | 180.0° |
| C29 | N08 | C64 | C63 | 113.7° | 175.1° |
| C29 | N08 | C64 | H71 | 125.6° | 64.9° |
| C29 | N08 | C64 | H72 | 7.0° | 55.1° |
| C52 | C56 | C55 | H63 | 121.1° | 119.9° |
| C52 | C56 | C55 | H64 | 121.2° | 119.9° |
| C52 | C56 | C55 | N15 | 34.9° | 59.2° |
| C52 | C56 | C55 | H15 | 155.7° | 179.2° |
| C52 | C56 | C55 | H16 | 85.7° | 60.8° |
| C56 | C52 | C53 | H20 | 159.0° | 177.6° |
| C56 | C52 | C53 | H21 | 82.0° | 62.2° |
| C52 | C56 | H63 | H64 | 116.4° | 120.1° |
| C56 | C52 | N14 | H81 | 7.2° | 94.7° |
| C54 | N15 | C55 | C56 | 50.3° | 61.7° |
| C54 | N15 | C55 | H82 | 120.3° | 124.1° |
| C54 | N15 | C55 | H15 | 171.0° | 178.2° |
| C54 | N15 | C55 | H16 | 70.3° | 58.3° |
| N15 | C54 | C53 | H20 | 174.9° | 179.1° |
| N15 | C54 | C53 | H21 | 66.1° | 60.7° |
| N15 | C54 | H61 | H62 | 119.1° | 119.9° |
| N08 | C64 | C63 | H71 | 120.7° | 120.1° |
| N08 | C64 | C63 | H72 | 120.7° | 120.0° |
| N08 | C64 | C63 | O11 | 106.9° | 59.2° |
| N08 | C64 | C63 | H1 | 13.8° | 179.2° |
| N08 | C64 | C63 | H2 | 132.5° | 60.8° |
| N08 | C64 | H71 | H72 | 117.8° | 120.0° |
| C56 | C55 | N15 | H15 | 120.7° | 120.0° |
| C56 | C55 | N15 | H16 | 120.7° | 120.0° |
| C56 | C55 | H15 | H16 | 117.9° | 120.0° |
| C55 | C56 | C52 | H60 | 93.0° | 62.2° |
| C55 | C56 | H63 | H64 | 116.4° | 120.2° |
| C56 | C55 | N15 | H82 | 170.6° | 174.2° |
| O10 | C60 | C59 | H67 | 120.3° | 120.0° |
| O10 | C60 | C59 | H68 | 120.4° | 120.0° |
| C60 | O10 | C61 | C62 | 114.3° | 180.0° |
| O10 | C60 | C59 | O09 | 91.6° | 65.0° |
| O10 | C60 | C59 | H5 | 28.7° | 175.0° |
| O10 | C60 | C59 | H6 | 148.0° | 55.0° |
| C60 | O10 | C61 | H7 | 6.1° | 60.0° |
| C60 | O10 | C61 | H8 | 125.3° | 60.0° |
| O10 | C60 | H67 | H68 | 118.9° | 120.0° |
| C61 | O10 | C60 | C59 | 66.7° | 180.0° |
| O10 | C61 | C62 | H7 | 120.4° | 120.0° |
| O10 | C61 | C62 | H8 | 120.4° | 120.0° |
| O10 | C61 | C62 | O11 | 158.6° | 65.0° |
| O10 | C61 | H7 | H8 | 118.8° | 120.0° |
| C61 | O10 | C60 | H67 | 172.9° | 60.0° |
| C61 | O10 | C60 | H68 | 53.6° | 60.0° |
| O10 | C61 | C62 | H69 | 81.1° | 175.0° |
| O10 | C61 | C62 | H70 | 38.3° | 55.0° |
| N15 | C55 | H15 | H16 | 117.9° | 119.9° |
| C55 | N15 | C54 | H61 | 59.8° | 58.3° |
| C55 | N15 | C54 | H62 | 179.2° | 178.2° |
| N15 | C55 | C56 | H63 | 86.2° | 179.1° |
| N15 | C55 | C56 | H64 | 156.1° | 60.7° |
| C60 | C59 | O09 | H5 | 120.4° | 120.0° |
| C60 | C59 | O09 | H6 | 120.4° | 120.0° |
| C60 | C59 | O09 | C58 | 147.1° | 180.0° |
| C60 | C59 | H5 | H6 | 118.8° | 120.0° |
| C59 | C60 | H67 | H68 | 118.9° | 120.0° |
| C61 | C62 | O11 | H69 | 120.3° | 119.9° |
| C61 | C62 | O11 | H70 | 120.3° | 120.0° |
| C61 | C62 | O11 | C63 | 102.9° | 175.0° |
| C62 | C61 | H7 | H8 | 118.8° | 120.0° |
| C61 | C62 | H69 | H70 | 119.0° | 120.0° |
| C64 | C63 | O11 | C62 | 8.0° | 175.1° |
| C64 | C63 | O11 | H1 | 120.6° | 120.0° |
| C64 | C63 | O11 | H2 | 120.6° | 119.9° |
| C64 | C63 | H1 | H2 | 118.0° | 120.0° |
| C63 | C64 | H71 | H72 | 117.9° | 119.9° |
| C63 | C64 | N08 | H77 | 66.3° | 5.0° |
| C62 | O11 | C63 | H1 | 128.7° | 55.1° |
| C62 | O11 | C63 | H2 | 112.6° | 65.0° |
| O11 | C62 | C61 | H7 | 38.2° | 175.0° |
| O11 | C62 | C61 | H8 | 81.0° | 55.0° |
| O11 | C62 | H69 | H70 | 119.1° | 120.0° |
| CL01 | C04 | C03 | C05 | 179.5° | 180.0° |
| CL01 | C04 | C03 | C02 | 179.4° | 180.0° |
| CL01 | C04 | C05 | N05 | 3.0° | 0.0° |
| CL01 | C04 | C05 | C06 | 179.2° | 180.0° |
| CL01 | C04 | C03 | H24 | 0.5° | 0.0° |
| C59 | O09 | C58 | C57 | 151.3° | 180.0° |
| O09 | C59 | H5 | H6 | 118.9° | 120.0° |
| C59 | O09 | C58 | H65 | 31.3° | 60.1° |
| C59 | O09 | C58 | H66 | 88.7° | 60.0° |
| O09 | C59 | C60 | H67 | 148.0° | 175.0° |
| O09 | C59 | C60 | H68 | 28.7° | 55.0° |
| O11 | C63 | H1 | H2 | 118.0° | 120.1° |
| C63 | O11 | C62 | H69 | 17.4° | 65.0° |
| C63 | O11 | C62 | H70 | 136.7° | 55.0° |
| O11 | C63 | C64 | H71 | 132.4° | 179.3° |
| O11 | C63 | C64 | H72 | 13.8° | 60.8° |
| O09 | C58 | C57 | H65 | 120.0° | 120.0° |
| O09 | C58 | C57 | H66 | 120.0° | 120.0° |
| O09 | C58 | C57 | C28 | 70.8° | 180.0° |
| O09 | C58 | C57 | H3 | 49.6° | 60.0° |
| O09 | C58 | C57 | H4 | 168.7° | 60.0° |
| C58 | O09 | C59 | H5 | 26.8° | 59.9° |
| C58 | O09 | C59 | H6 | 92.5° | 60.0° |
| O09 | C58 | H65 | H66 | 120.0° | 120.1° |
| C20 | C18 | S01 | N05 | 38.7° | 180.0° |
| C20 | C18 | C21 | S01 | 116.8° | 120.0° |
| C20 | C18 | C21 | C19 | 119.1° | 120.0° |
| C20 | C18 | S01 | C19 | 113.4° | 120.0° |
| C20 | C18 | S01 | O01 | 83.5° | 68.4° |
| C20 | C18 | S01 | O02 | 156.8° | 68.4° |
| C20 | C18 | C19 | H30 | 180.0° | 60.0° |
| C20 | C18 | C19 | H31 | 60.0° | 60.0° |
| C20 | C18 | C19 | H32 | 60.0° | 179.9° |
| C18 | C20 | H33 | H34 | 120.0° | 120.0° |
| C18 | C20 | H33 | H35 | 120.0° | 120.1° |
| C18 | C20 | H34 | H35 | 120.0° | 120.1° |
| C20 | C18 | C21 | H36 | 180.0° | 60.0° |
| C20 | C18 | C21 | H37 | 60.0° | 60.0° |
| C20 | C18 | C21 | H38 | 60.0° | 180.0° |
| C04 | C03 | C02 | H24 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.5° | 0.1° |
| C03 | C04 | C05 | N05 | 176.5° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | H23 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | H23 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.8° | 0.1° |
| C03 | C02 | C01 | N01 | 179.2° | 179.8° |
| C04 | C05 | N05 | C06 | 176.2° | 180.0° |
| C04 | C05 | N05 | S01 | 87.3° | 148.1° |
| C04 | C05 | C06 | C01 | 0.0° | 0.0° |
| C05 | C04 | C03 | H24 | 179.9° | 180.0° |
| C04 | C05 | C06 | H25 | 179.9° | 179.8° |
| C04 | C05 | N05 | H75 | 35.0° | 31.9° |
| C02 | C01 | C06 | C05 | 0.6° | 0.0° |
| C02 | C01 | C06 | N01 | 178.3° | 179.7° |
| C02 | C01 | N01 | C07 | 126.4° | 33.0° |
| C01 | C02 | C03 | H24 | 179.5° | 179.9° |
| C02 | C01 | C06 | H25 | 179.3° | 179.7° |
| C02 | C01 | N01 | H73 | 53.6° | 146.9° |
| C58 | C57 | C28 | H3 | 120.5° | 120.0° |
| C58 | C57 | C28 | H4 | 120.4° | 120.0° |
| C58 | C57 | C28 | O04 | 14.0° | 0.0° |
| C58 | C57 | C28 | N07 | 165.3° | 180.0° |
| C58 | C57 | H3 | H4 | 118.6° | 120.0° |
| C57 | C58 | H65 | H66 | 120.0° | 120.0° |
| C05 | N05 | S01 | H75 | 122.3° | 180.0° |
| C05 | N05 | S01 | C18 | 169.0° | 70.3° |
| C05 | N05 | S01 | O01 | 44.6° | 45.8° |
| C05 | N05 | S01 | O02 | 71.6° | 173.6° |
| N05 | C05 | C06 | C01 | 176.3° | 180.0° |
| N05 | C05 | C06 | H25 | 3.8° | 0.2° |
| C06 | C05 | N05 | S01 | 96.5° | 31.9° |
| C05 | C06 | C01 | H25 | 180.0° | 179.8° |
| C05 | C06 | C01 | N01 | 178.9° | 179.7° |
| C06 | C05 | N05 | H75 | 141.2° | 148.1° |
| N05 | S01 | C18 | C21 | 160.7° | 60.0° |
| N05 | S01 | C18 | O01 | 122.2° | 111.6° |
| N05 | S01 | C18 | O02 | 118.1° | 111.6° |
| N05 | S01 | C18 | C19 | 74.7° | 60.0° |
| N05 | S01 | O01 | O02 | 118.4° | 116.7° |
| C21 | C18 | S01 | C19 | 124.6° | 120.0° |
| C21 | C18 | S01 | O01 | 38.6° | 171.6° |
| C21 | C18 | S01 | O02 | 81.1° | 51.6° |
| C21 | C18 | C19 | H30 | 56.8° | 60.0° |
| C21 | C18 | C19 | H31 | 63.2° | 180.0° |
| C21 | C18 | C19 | H32 | 176.8° | 60.0° |
| C21 | C18 | C20 | H33 | 180.0° | 60.1° |
| C21 | C18 | C20 | H34 | 60.0° | 180.0° |
| C21 | C18 | C20 | H35 | 60.0° | 60.0° |
| C18 | C21 | H36 | H37 | 120.0° | 120.0° |
| C18 | C21 | H36 | H38 | 120.0° | 120.0° |
| C18 | C21 | H37 | H38 | 120.0° | 120.0° |
| C18 | S01 | O01 | O02 | 122.6° | 131.5° |
| S01 | C18 | C19 | H30 | 67.7° | 180.0° |
| S01 | C18 | C19 | H31 | 172.3° | 60.0° |
| S01 | C18 | C19 | H32 | 52.3° | 60.0° |
| S01 | C18 | C20 | H33 | 59.0° | 59.9° |
| S01 | C18 | C20 | H34 | 179.0° | 60.0° |
| S01 | C18 | C20 | H35 | 61.0° | 180.0° |
| S01 | C18 | C21 | H36 | 63.2° | 60.0° |
| S01 | C18 | C21 | H37 | 56.8° | 180.0° |
| S01 | C18 | C21 | H38 | 176.8° | 60.0° |
| C18 | S01 | N05 | H75 | 46.7° | 109.8° |
| C19 | C18 | S01 | O01 | 163.1° | 51.6° |
| C19 | C18 | S01 | O02 | 43.4° | 171.6° |
| C18 | C19 | H30 | H31 | 120.0° | 120.1° |
| C18 | C19 | H30 | H32 | 120.0° | 120.0° |
| C18 | C19 | H31 | H32 | 120.0° | 120.0° |
| C19 | C18 | C20 | H33 | 57.8° | 180.0° |
| C19 | C18 | C20 | H34 | 62.2° | 60.0° |
| C19 | C18 | C20 | H35 | 177.8° | 60.0° |
| C19 | C18 | C21 | H36 | 60.9° | 180.0° |
| C19 | C18 | C21 | H37 | 179.1° | 60.0° |
| C19 | C18 | C21 | H38 | 59.1° | 60.0° |
| O01 | S01 | N05 | H75 | 77.6° | 134.2° |
| C57 | C28 | O04 | N07 | 179.3° | 180.0° |
| C57 | C28 | N07 | C25 | 2.1° | 180.0° |
| C57 | C28 | N07 | C26 | 179.5° | 0.1° |
| C28 | C57 | H3 | H4 | 118.6° | 120.0° |
| C28 | C57 | C58 | H65 | 169.2° | 60.0° |
| C28 | C57 | C58 | H66 | 49.2° | 60.0° |
| O02 | S01 | N05 | H75 | 166.1° | 6.3° |
| C06 | C01 | N01 | C07 | 51.9° | 147.3° |
| C06 | C01 | C02 | H23 | 179.2° | 180.0° |
| C06 | C01 | N01 | H73 | 128.1° | 32.8° |
| C01 | N01 | C07 | H73 | 180.0° | 179.9° |
| C01 | N01 | C07 | N03 | 15.3° | 6.4° |
| C01 | N01 | C07 | C08 | 164.0° | 173.7° |
| N01 | C01 | C02 | H23 | 0.9° | 0.3° |
| N01 | C01 | C06 | H25 | 1.0° | 0.0° |
| O04 | C28 | N07 | C25 | 178.6° | 0.0° |
| O04 | C28 | N07 | C26 | 1.2° | 179.9° |
| O04 | C28 | C57 | H3 | 134.5° | 120.0° |
| O04 | C28 | C57 | H4 | 106.4° | 120.0° |
| C28 | N07 | C25 | C26 | 177.6° | 179.9° |
| C28 | N07 | C25 | C24 | 148.7° | 126.4° |
| C28 | N07 | C26 | C27 | 156.4° | 126.4° |
| N07 | C28 | C57 | H3 | 44.8° | 60.0° |
| N07 | C28 | C57 | H4 | 74.3° | 60.0° |
| C28 | N07 | C25 | H42 | 91.0° | 6.5° |
| C28 | N07 | C25 | H43 | 28.4° | 113.9° |
| C28 | N07 | C26 | H44 | 82.9° | 113.9° |
| C28 | N07 | C26 | H45 | 35.6° | 6.4° |
| N07 | C25 | C24 | H42 | 120.3° | 119.8° |
| N07 | C25 | C24 | H43 | 120.3° | 119.7° |
| C25 | N07 | C26 | C27 | 26.0° | 53.5° |
| N07 | C25 | C24 | C23 | 67.6° | 54.6° |
| N07 | C25 | C24 | H40 | 172.8° | 65.3° |
| N07 | C25 | C24 | H41 | 52.0° | 174.6° |
| N07 | C25 | H42 | H43 | 119.1° | 120.3° |
| C25 | N07 | C26 | H44 | 94.8° | 66.2° |
| C25 | N07 | C26 | H45 | 146.7° | 173.5° |
| C24 | C25 | N07 | C26 | 28.9° | 53.5° |
| C25 | C24 | C23 | C27 | 48.5° | 61.3° |
| C25 | C24 | C23 | H40 | 119.6° | 119.9° |
| C25 | C24 | C23 | H41 | 119.6° | 120.0° |
| C25 | C24 | C23 | N06 | 178.4° | 178.6° |
| C25 | C24 | C23 | H39 | 66.3° | 58.6° |
| C25 | C24 | H40 | H41 | 121.1° | 120.1° |
| C24 | C25 | H42 | H43 | 119.1° | 120.3° |
| O03 | C22 | N06 | C23 | 0.3° | 0.0° |
| O03 | C22 | N06 | C15 | 177.1° | 180.0° |
| O03 | C22 | C15 | C14 | 1.1° | 180.0° |
| O03 | C22 | C15 | C16 | 177.3° | 0.0° |
| O03 | C22 | N06 | H76 | 179.7° | 179.9° |
| N07 | C26 | C27 | C23 | 44.9° | 54.6° |
| N07 | C26 | C27 | H44 | 120.8° | 119.7° |
| N07 | C26 | C27 | H45 | 120.7° | 120.0° |
| C26 | N07 | C25 | H42 | 91.5° | 173.4° |
| C26 | N07 | C25 | H43 | 149.1° | 66.2° |
| N07 | C26 | H44 | H45 | 117.6° | 120.4° |
| N07 | C26 | C27 | H46 | 75.9° | 174.5° |
| N07 | C26 | C27 | H47 | 165.6° | 65.3° |
| C23 | C27 | C26 | H46 | 120.8° | 120.0° |
| C23 | C27 | C26 | H47 | 120.7° | 119.9° |
| C27 | C23 | C24 | N06 | 129.9° | 120.0° |
| C27 | C23 | C24 | H39 | 114.8° | 120.0° |
| C27 | C23 | N06 | H39 | 112.9° | 120.0° |
| C27 | C23 | N06 | C22 | 130.4° | 84.9° |
| C27 | C23 | C24 | H40 | 168.1° | 58.5° |
| C27 | C23 | C24 | H41 | 71.1° | 178.7° |
| C23 | C27 | C26 | H44 | 75.9° | 65.1° |
| C23 | C27 | C26 | H45 | 165.6° | 174.6° |
| C23 | C27 | H46 | H47 | 117.6° | 120.0° |
| C27 | C23 | N06 | H76 | 49.6° | 95.0° |
| C26 | C27 | C23 | C24 | 5.1° | 61.4° |
| C26 | C27 | C23 | N06 | 127.1° | 178.7° |
| C26 | C27 | C23 | H39 | 120.0° | 58.6° |
| C27 | C26 | H44 | H45 | 117.7° | 120.3° |
| C26 | C27 | H46 | H47 | 117.7° | 120.1° |
| C24 | C23 | N06 | H39 | 115.3° | 120.0° |
| C24 | C23 | N06 | C22 | 97.7° | 155.0° |
| C23 | C24 | H40 | H41 | 121.1° | 120.1° |
| C23 | C24 | C25 | H42 | 52.7° | 174.4° |
| C23 | C24 | C25 | H43 | 172.1° | 65.1° |
| C24 | C23 | C27 | H46 | 115.7° | 178.6° |
| C24 | C23 | C27 | H47 | 125.8° | 58.6° |
| C24 | C23 | N06 | H76 | 82.3° | 25.1° |
| C23 | N06 | C22 | H76 | 180.0° | 179.9° |
| C23 | N06 | C22 | C15 | 177.4° | 180.0° |
| N06 | C23 | C24 | H40 | 62.0° | 61.5° |
| N06 | C23 | C24 | H41 | 58.8° | 58.7° |
| N06 | C23 | C27 | H46 | 112.2° | 58.6° |
| N06 | C23 | C27 | H47 | 6.3° | 61.4° |
| N01 | C07 | N03 | C08 | 179.2° | 180.0° |
| N01 | C07 | N03 | C10 | 179.1° | 180.0° |
| N01 | C07 | C08 | C11 | 0.2° | 0.0° |
| N01 | C07 | C08 | C09 | 179.6° | 179.7° |
| N06 | C22 | C15 | C14 | 176.0° | 0.0° |
| N06 | C22 | C15 | C16 | 0.1° | 180.0° |
| C22 | N06 | C23 | H39 | 17.6° | 35.1° |
| C22 | C15 | C14 | C16 | 176.2° | 180.0° |
| C22 | C15 | C14 | C13 | 177.8° | 180.0° |
| C22 | C15 | C16 | F01 | 2.3° | 0.0° |
| C22 | C15 | C16 | C17 | 177.7° | 180.0° |
| C22 | C15 | C14 | H28 | 2.2° | 0.0° |
| C15 | C22 | N06 | H76 | 2.6° | 0.1° |
| C15 | C14 | C13 | H28 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.2° | 0.0° |
| C14 | C15 | C16 | F01 | 178.5° | 180.0° |
| C14 | C15 | C16 | C17 | 1.6° | 0.0° |
| C15 | C14 | C13 | H27 | 178.8° | 180.0° |
| C13 | C14 | C15 | C16 | 1.6° | 0.0° |
| C14 | C13 | C12 | H27 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.7° | 0.0° |
| C14 | C13 | C12 | N04 | 178.6° | 179.8° |
| C15 | C16 | F01 | C17 | 179.9° | 180.0° |
| C15 | C16 | C17 | C12 | 1.1° | 0.0° |
| C16 | C15 | C14 | H28 | 178.4° | 179.9° |
| C15 | C16 | C17 | H29 | 178.9° | 179.8° |
| N03 | C07 | C08 | C11 | 179.0° | 180.0° |
| N03 | C07 | C08 | C09 | 0.4° | 0.3° |
| C07 | N03 | C10 | N04 | 178.7° | 180.0° |
| C07 | N03 | C10 | N02 | 0.6° | 0.3° |
| N03 | C07 | N01 | H73 | 164.8° | 173.7° |
| C08 | C07 | N03 | C10 | 0.1° | 0.0° |
| C07 | C08 | C11 | C09 | 179.4° | 179.7° |
| C07 | C08 | C09 | N02 | 0.4° | 0.3° |
| C07 | C08 | C11 | H17 | 90.3° | 90.0° |
| C07 | C08 | C11 | H18 | 149.7° | 150.0° |
| C07 | C08 | C11 | H19 | 29.7° | 30.0° |
| C07 | C08 | C09 | H26 | 179.7° | 179.8° |
| C08 | C07 | N01 | H73 | 16.0° | 6.3° |
| C13 | C12 | C17 | C16 | 0.7° | 0.0° |
| C13 | C12 | C17 | N04 | 177.9° | 179.8° |
| C13 | C12 | N04 | C10 | 46.5° | 145.5° |
| C12 | C13 | C14 | H28 | 178.8° | 180.0° |
| C13 | C12 | C17 | H29 | 179.3° | 179.8° |
| C13 | C12 | N04 | H74 | 133.5° | 34.4° |
| N03 | C10 | N04 | C12 | 12.4° | 173.4° |
| N03 | C10 | N04 | N02 | 178.2° | 179.8° |
| N03 | C10 | N02 | C09 | 0.7° | 0.2° |
| N03 | C10 | N04 | H74 | 167.6° | 6.7° |
| C11 | C08 | C09 | N02 | 179.1° | 180.0° |
| C08 | C11 | H17 | H18 | 120.0° | 120.0° |
| C08 | C11 | H17 | H19 | 120.0° | 119.9° |
| C08 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | C08 | C09 | H26 | 0.9° | 0.0° |
| F01 | C16 | C17 | C12 | 178.9° | 180.0° |
| F01 | C16 | C17 | H29 | 1.1° | 0.2° |
| C16 | C17 | C12 | H29 | 180.0° | 179.8° |
| C16 | C17 | C12 | N04 | 178.6° | 179.8° |
| C08 | C09 | N02 | C10 | 0.2° | 0.0° |
| C08 | C09 | N02 | H26 | 180.0° | 180.0° |
| C09 | C08 | C11 | H17 | 90.3° | 90.3° |
| C09 | C08 | C11 | H18 | 29.7° | 29.7° |
| C09 | C08 | C11 | H19 | 149.7° | 149.7° |
| C17 | C12 | N04 | C10 | 135.6° | 34.3° |
| C17 | C12 | C13 | H27 | 179.3° | 179.9° |
| C17 | C12 | N04 | H74 | 44.4° | 145.8° |
| C12 | N04 | C10 | H74 | 180.0° | 179.9° |
| C12 | N04 | C10 | N02 | 169.5° | 6.8° |
| N04 | C12 | C13 | H27 | 1.4° | 0.3° |
| N04 | C12 | C17 | H29 | 1.4° | 0.0° |
| N04 | C10 | N02 | C09 | 178.9° | 180.0° |
| C10 | N02 | C09 | H26 | 179.8° | 180.0° |
| N02 | C10 | N04 | H74 | 10.6° | 173.1° |
| H1 | C63 | C64 | H71 | 106.9° | 60.7° |
| H1 | C63 | C64 | H72 | 134.4° | 59.2° |
| H2 | C63 | C64 | H71 | 11.8° | 59.3° |
| H2 | C63 | C64 | H72 | 106.9° | 179.2° |
| H3 | C57 | C58 | H65 | 70.4° | 180.0° |
| H3 | C57 | C58 | H66 | 169.6° | 60.0° |
| H4 | C57 | C58 | H65 | 48.7° | 60.0° |
| H4 | C57 | C58 | H66 | 71.3° | 180.0° |
| H5 | C59 | C60 | H67 | 91.6° | 55.0° |
| H5 | C59 | C60 | H68 | 149.1° | 65.0° |
| H6 | C59 | C60 | H67 | 27.6° | 65.0° |
| H6 | C59 | C60 | H68 | 91.7° | 175.0° |
| H7 | C61 | C62 | H69 | 158.6° | 55.1° |
| H7 | C61 | C62 | H70 | 82.1° | 65.0° |
| H8 | C61 | C62 | H69 | 39.3° | 64.9° |
| H8 | C61 | C62 | H70 | 158.7° | 175.0° |
| H9 | C39 | H10 | H11 | 120.0° | 120.1° |
| H12 | C37 | H13 | H14 | 119.9° | 119.9° |
| H15 | C55 | C56 | H63 | 34.5° | 60.9° |
| H15 | C55 | C56 | H64 | 83.2° | 59.3° |
| H15 | C55 | N15 | H82 | 68.7° | 54.2° |
| H16 | C55 | C56 | H63 | 153.1° | 59.1° |
| H16 | C55 | C56 | H64 | 35.4° | 179.3° |
| H16 | C55 | N15 | H82 | 50.0° | 65.8° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| H20 | C53 | C52 | H60 | 36.7° | 57.7° |
| H20 | C53 | C54 | H61 | 54.6° | 59.1° |
| H20 | C53 | C54 | H62 | 64.8° | 60.9° |
| H21 | C53 | C52 | H60 | 155.7° | 177.9° |
| H21 | C53 | C54 | H61 | 173.6° | 179.3° |
| H21 | C53 | C54 | H62 | 54.2° | 59.3° |
| H23 | C02 | C03 | H24 | 0.5° | 0.0° |
| H27 | C13 | C14 | H28 | 1.1° | 0.0° |
| H30 | C19 | H31 | H32 | 120.0° | 119.9° |
| H33 | C20 | H34 | H35 | 120.0° | 120.0° |
| H36 | C21 | H37 | H38 | 120.0° | 119.9° |
| H39 | C23 | C24 | H40 | 53.3° | 178.5° |
| H39 | C23 | C24 | H41 | 174.1° | 61.3° |
| H39 | C23 | C27 | H46 | 0.8° | 61.4° |
| H39 | C23 | C27 | H47 | 119.3° | 178.6° |
| H39 | C23 | N06 | H76 | 162.5° | 145.0° |
| H40 | C24 | C25 | H42 | 66.9° | 54.5° |
| H40 | C24 | C25 | H43 | 52.5° | 175.0° |
| H41 | C24 | C25 | H42 | 172.3° | 65.6° |
| H41 | C24 | C25 | H43 | 68.2° | 54.9° |
| H44 | C26 | C27 | H46 | 163.3° | 54.8° |
| H44 | C26 | C27 | H47 | 44.8° | 174.9° |
| H45 | C26 | C27 | H46 | 44.8° | 65.4° |
| H45 | C26 | C27 | H47 | 73.7° | 54.7° |
| H50 | C38 | H51 | H52 | 120.0° | 120.0° |
| H54 | C44 | H55 | H56 | 119.9° | 120.0° |
| H57 | C46 | C47 | H58 | 0.5° | 0.0° |
| H60 | C52 | C56 | H63 | 145.9° | 57.7° |
| H60 | C52 | C56 | H64 | 28.2° | 177.8° |
| H60 | C52 | N14 | H81 | 122.6° | 145.2° |
| H61 | C54 | N15 | H82 | 60.5° | 65.8° |
| H62 | C54 | N15 | H82 | 58.9° | 54.2° |
| H71 | C64 | N08 | H77 | 54.4° | 115.0° |
| H72 | C64 | N08 | H77 | 173.0° | 124.9° |
