PRD_002559
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.50Å | 1.56Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.20Å | |
| N3 | C7 | sing | 1.48Å | 1.46Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.50Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | N4 | sing | 1.46Å | 1.46Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | C12 | sing | 1.37Å | 1.33Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C12 | N5 | sing | 1.33Å | 1.33Å | |
| C12 | N6 | doub | 1.33Å | 1.33Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N7 | C13 | sing | 1.47Å | 1.46Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N8 | C19 | sing | 1.48Å | 1.47Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C27 | O7 | sing | 1.36Å | 1.38Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| N9 | C28 | sing | 1.48Å | 1.46Å | |
| N9 | H42 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | O8 | doub | 1.21Å | 1.24Å | |
| N10 | C30 | sing | 1.48Å | 1.47Å | |
| N10 | H45 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | O9 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H49 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H50 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | H51 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| C37 | H52 | sing | 1.08Å | 1.08Å | |
| C38 | H53 | sing | 1.08Å | 1.08Å | |
| N11 | C39 | sing | 1.48Å | 1.46Å | |
| N11 | H54 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.50Å | 1.54Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| C40 | O10 | doub | 1.21Å | 1.24Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C44 | N12 | sing | 1.47Å | 1.49Å | |
| C44 | H62 | sing | 1.09Å | 1.10Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| N12 | H64 | sing | 1.01Å | 1.00Å | |
| N12 | H65 | sing | 1.01Å | 1.00Å | |
| N12 | H66 | sing | 1.01Å | 1.00Å | |
| N13 | C45 | sing | 1.48Å | 1.46Å | |
| N13 | H67 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.50Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.56Å | |
| C45 | H68 | sing | 1.09Å | 1.10Å | |
| C46 | O11 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.53Å | 1.56Å | |
| C47 | C49 | sing | 1.53Å | 1.54Å | |
| C47 | H69 | sing | 1.09Å | 1.10Å | |
| C48 | C50 | sing | 1.53Å | 1.57Å | |
| C48 | H70 | sing | 1.09Å | 1.10Å | |
| C48 | H71 | sing | 1.09Å | 1.10Å | |
| C49 | H72 | sing | 1.09Å | 1.10Å | |
| C49 | H73 | sing | 1.09Å | 1.10Å | |
| C49 | H74 | sing | 1.09Å | 1.10Å | |
| C50 | H75 | sing | 1.09Å | 1.10Å | |
| C50 | H76 | sing | 1.09Å | 1.10Å | |
| C50 | H77 | sing | 1.09Å | 1.10Å | |
| N14 | C51 | sing | 1.48Å | 1.48Å | |
| N14 | H78 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H79 | sing | 1.09Å | 1.10Å | |
| C52 | O12 | doub | 1.21Å | 1.23Å | |
| C53 | C54 | sing | 1.51Å | 1.48Å | |
| C53 | H80 | sing | 1.09Å | 1.10Å | |
| C53 | H81 | sing | 1.09Å | 1.10Å | |
| C54 | N15 | sing | 1.34Å | 1.37Å | Aromatic |
| C54 | C55 | doub | 1.35Å | 1.34Å | Aromatic |
| N15 | C56 | doub | 1.30Å | 1.31Å | Aromatic |
| N15 | H82 | sing | 0.97Å | 1.00Å | |
| C55 | N16 | sing | 1.37Å | 1.36Å | Aromatic |
| C55 | H83 | sing | 1.08Å | 1.08Å | |
| C56 | N16 | sing | 1.35Å | 1.32Å | Aromatic |
| C56 | H84 | sing | 1.08Å | 1.08Å | |
| N16 | H85 | sing | 0.97Å | 1.00Å | |
| N17 | C57 | sing | 1.48Å | 1.48Å | |
| N17 | H86 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.56Å | |
| C57 | H87 | sing | 1.09Å | 1.10Å | |
| C58 | O13 | doub | 1.21Å | 1.23Å | |
| N18 | C59 | sing | 1.47Å | 1.45Å | |
| N18 | H88 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | H89 | sing | 1.09Å | 1.10Å | |
| C59 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | O14 | doub | 1.21Å | 1.23Å | |
| N19 | C61 | sing | 1.46Å | 1.45Å | |
| N19 | H91 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.52Å | |
| C61 | H92 | sing | 1.09Å | 1.10Å | |
| C61 | H93 | sing | 1.09Å | 1.10Å | |
| C62 | O15 | doub | 1.21Å | 1.23Å | |
| N20 | H94 | sing | 0.97Å | 1.00Å | |
| N20 | H95 | sing | 0.97Å | 1.00Å | |
| C70 | N25 | sing | 1.46Å | 1.46Å | |
| N22 | N25 | sing | 1.29Å | 1.34Å | Aromatic |
| N22 | N26 | doub | 1.28Å | 1.31Å | Aromatic |
| N25 | C69 | sing | 1.35Å | 1.34Å | Aromatic |
| N26 | C68 | sing | 1.35Å | 1.36Å | Aromatic |
| C69 | C68 | doub | 1.36Å | 1.37Å | Aromatic |
| C68 | C67 | sing | 1.48Å | 1.48Å | |
| O17 | C75 | doub | 1.22Å | 1.23Å | |
| C66 | C67 | doub | 1.39Å | 1.39Å | Aromatic |
| C66 | C71 | sing | 1.39Å | 1.39Å | Aromatic |
| C67 | C72 | sing | 1.40Å | 1.39Å | Aromatic |
| C75 | C71 | sing | 1.48Å | 1.49Å | |
| C75 | O16 | sing | 1.35Å | 1.31Å | |
| C71 | C73 | doub | 1.39Å | 1.39Å | Aromatic |
| C72 | C65 | doub | 1.39Å | 1.39Å | Aromatic |
| C73 | C65 | sing | 1.40Å | 1.39Å | Aromatic |
| C65 | C74 | sing | 1.48Å | 1.47Å | |
| C74 | N21 | sing | 1.36Å | 1.36Å | Aromatic |
| C74 | C64 | doub | 1.36Å | 1.37Å | Aromatic |
| N21 | N24 | doub | 1.28Å | 1.31Å | Aromatic |
| C64 | N23 | sing | 1.35Å | 1.34Å | Aromatic |
| N24 | N23 | sing | 1.29Å | 1.35Å | Aromatic |
| N23 | C63 | sing | 1.46Å | 1.46Å | |
| C63 | H96 | sing | 1.09Å | 1.10Å | |
| C63 | H97 | sing | 1.09Å | 1.10Å | |
| C64 | H98 | sing | 1.08Å | 1.08Å | |
| C66 | H99 | sing | 1.08Å | 1.08Å | |
| C69 | H100 | sing | 1.08Å | 1.08Å | |
| C70 | H101 | sing | 1.09Å | 1.10Å | |
| C70 | H102 | sing | 1.09Å | 1.10Å | |
| O16 | H103 | sing | 0.97Å | 0.95Å | |
| C72 | H104 | sing | 1.08Å | 1.08Å | |
| C73 | H105 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | N3 | sing | 1.36Å | 1.35Å | |
| C8 | N7 | sing | 1.36Å | 1.35Å | |
| C14 | N8 | sing | 1.36Å | 1.35Å | |
| C20 | N9 | sing | 1.36Å | 1.34Å | |
| C29 | N10 | sing | 1.36Å | 1.35Å | |
| C31 | N11 | sing | 1.36Å | 1.34Å | |
| C40 | N13 | sing | 1.36Å | 1.33Å | |
| C46 | N14 | sing | 1.36Å | 1.33Å | |
| C52 | N17 | sing | 1.36Å | 1.25Å | |
| C58 | N18 | sing | 1.35Å | 1.33Å | |
| C60 | N19 | sing | 1.35Å | 1.33Å | |
| C62 | N20 | sing | 1.35Å | 1.32Å | |
| C5 | C63 | sing | 1.53Å | 1.53Å | |
| C57 | C70 | sing | 1.53Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.8° | 120.0° |
| O1 | C1 | N1 | 122.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.1° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.3° | 119.9° |
| N1 | C3 | C4 | 117.6° | 109.4° |
| N1 | C3 | H5 | 107.4° | 109.5° |
| N1 | C3 | H6 | 107.4° | 109.4° |
| C3 | N1 | C1 | 121.5° | 120.0° |
| H4 | N1 | C1 | 119.2° | 120.1° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C4 | C3 | H6 | 107.4° | 109.5° |
| C3 | C4 | O2 | 120.5° | 120.1° |
| C3 | C4 | N2 | 116.7° | 120.0° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| O2 | C4 | N2 | 122.9° | 120.0° |
| C5 | N2 | H7 | 118.9° | 120.1° |
| N2 | C5 | C6 | 112.0° | 109.5° |
| N2 | C5 | H8 | 107.1° | 109.5° |
| C5 | N2 | C4 | 122.1° | 120.0° |
| N2 | C5 | C63 | 111.8° | 109.5° |
| H7 | N2 | C4 | 118.9° | 120.0° |
| C6 | C5 | H8 | 106.0° | 109.5° |
| C5 | C6 | O3 | 118.4° | 119.0° |
| C5 | C6 | N3 | 114.8° | 121.9° |
| C6 | C5 | C63 | 113.0° | 109.2° |
| H8 | C5 | C63 | 106.3° | 109.5° |
| O3 | C6 | N3 | 122.1° | 119.0° |
| C7 | N3 | H9 | 110.6° | 122.5° |
| N3 | C7 | C8 | 112.5° | 110.2° |
| N3 | C7 | C9 | 111.5° | 109.4° |
| N3 | C7 | H10 | 107.8° | 109.3° |
| C7 | N3 | C6 | 138.9° | 115.0° |
| H9 | N3 | C6 | 110.5° | 122.5° |
| C8 | C7 | C9 | 110.8° | 109.4° |
| C8 | C7 | H10 | 107.0° | 109.3° |
| C7 | C8 | O4 | 119.8° | 120.7° |
| C7 | C8 | N7 | 116.9° | 118.7° |
| C9 | C7 | H10 | 106.9° | 109.3° |
| C7 | C9 | C10 | 113.9° | 109.5° |
| C7 | C9 | H11 | 108.4° | 109.4° |
| C7 | C9 | H12 | 108.4° | 109.5° |
| O4 | C8 | N7 | 123.2° | 120.7° |
| C10 | C9 | H11 | 108.3° | 109.5° |
| C10 | C9 | H12 | 108.3° | 109.5° |
| C9 | C10 | C11 | 110.7° | 109.5° |
| C9 | C10 | H13 | 109.2° | 109.4° |
| C9 | C10 | H14 | 109.2° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| C11 | C10 | H13 | 109.2° | 109.4° |
| C11 | C10 | H14 | 109.2° | 109.5° |
| C10 | C11 | N4 | 112.3° | 109.5° |
| C10 | C11 | H15 | 108.7° | 109.5° |
| C10 | C11 | H16 | 108.7° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| N4 | C11 | H15 | 108.8° | 109.5° |
| N4 | C11 | H16 | 108.8° | 109.5° |
| C11 | N4 | C12 | 124.4° | 120.0° |
| C11 | N4 | H17 | 117.8° | 120.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| C12 | N4 | H17 | 117.8° | 120.0° |
| N4 | C12 | N5 | 120.2° | 120.0° |
| N4 | C12 | N6 | 120.4° | 120.0° |
| N5 | C12 | N6 | 119.4° | 120.0° |
| C12 | N5 | H18 | 120.0° | 120.0° |
| C12 | N5 | H19 | 120.0° | 120.0° |
| C12 | N6 | H20 | 120.0° | 120.0° |
| C12 | N6 | H21 | 120.0° | 120.0° |
| H18 | N5 | H19 | 120.0° | 120.0° |
| H20 | N6 | H21 | 120.0° | 120.1° |
| C13 | N7 | H22 | 118.3° | 121.7° |
| N7 | C13 | C14 | 108.5° | 108.7° |
| N7 | C13 | C15 | 111.5° | 109.6° |
| N7 | C13 | H23 | 108.7° | 109.6° |
| C13 | N7 | C8 | 123.3° | 116.7° |
| H22 | N7 | C8 | 118.4° | 121.7° |
| C14 | C13 | C15 | 112.5° | 109.6° |
| C14 | C13 | H23 | 107.8° | 109.6° |
| C13 | C14 | O5 | 120.1° | 120.5° |
| C13 | C14 | N8 | 116.0° | 118.9° |
| C15 | C13 | H23 | 107.7° | 109.7° |
| C13 | C15 | C16 | 117.8° | 109.4° |
| C13 | C15 | H24 | 107.3° | 109.5° |
| C13 | C15 | H25 | 107.4° | 109.5° |
| O5 | C14 | N8 | 123.9° | 120.6° |
| C16 | C15 | H24 | 107.3° | 109.5° |
| C16 | C15 | H25 | 107.3° | 109.5° |
| C15 | C16 | C17 | 112.3° | 109.5° |
| C15 | C16 | C18 | 110.6° | 109.5° |
| C15 | C16 | H26 | 107.9° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| C17 | C16 | C18 | 109.8° | 109.4° |
| C17 | C16 | H26 | 107.9° | 109.4° |
| C16 | C17 | H27 | 109.5° | 109.4° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C18 | C16 | H26 | 108.3° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.4° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.4° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.4° |
| H27 | C17 | H29 | 109.4° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.4° |
| H30 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.4° | 109.5° |
| C19 | N8 | H33 | 116.5° | 122.0° |
| N8 | C19 | C20 | 111.7° | 108.3° |
| N8 | C19 | C21 | 112.4° | 109.7° |
| N8 | C19 | H34 | 107.4° | 109.6° |
| C19 | N8 | C14 | 126.9° | 116.0° |
| H33 | N8 | C14 | 116.5° | 122.0° |
| C20 | C19 | C21 | 111.9° | 109.7° |
| C20 | C19 | H34 | 106.5° | 109.7° |
| C19 | C20 | O6 | 120.2° | 120.2° |
| C19 | C20 | N9 | 115.8° | 119.5° |
| C21 | C19 | H34 | 106.6° | 109.7° |
| C19 | C21 | C22 | 114.9° | 109.5° |
| C19 | C21 | H35 | 108.1° | 109.5° |
| C19 | C21 | H36 | 108.1° | 109.5° |
| O6 | C20 | N9 | 124.0° | 120.2° |
| C22 | C21 | H35 | 108.1° | 109.4° |
| C22 | C21 | H36 | 108.1° | 109.5° |
| C21 | C22 | C23 | 121.0° | 119.9° |
| C21 | C22 | C24 | 120.9° | 119.9° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| C23 | C22 | C24 | 117.9° | 120.2° |
| C22 | C23 | C25 | 121.3° | 120.0° |
| C22 | C23 | H37 | 119.3° | 120.0° |
| C22 | C24 | C26 | 121.3° | 120.0° |
| C22 | C24 | H38 | 119.4° | 120.0° |
| C25 | C23 | H37 | 119.4° | 120.0° |
| C23 | C25 | C27 | 119.8° | 120.0° |
| C23 | C25 | H39 | 120.1° | 120.0° |
| C26 | C24 | H38 | 119.4° | 120.0° |
| C24 | C26 | C27 | 119.8° | 120.0° |
| C24 | C26 | H40 | 120.1° | 120.0° |
| C27 | C25 | H39 | 120.1° | 120.1° |
| C25 | C27 | C26 | 119.9° | 119.9° |
| C25 | C27 | O7 | 120.1° | 120.1° |
| C27 | C26 | H40 | 120.1° | 120.0° |
| C26 | C27 | O7 | 120.0° | 120.0° |
| C27 | O7 | H41 | 109.5° | 114.0° |
| C28 | N9 | H42 | 117.8° | 121.7° |
| N9 | C28 | C29 | 115.3° | 108.6° |
| N9 | C28 | H43 | 108.0° | 109.6° |
| N9 | C28 | H44 | 108.0° | 109.6° |
| C28 | N9 | C20 | 124.5° | 116.7° |
| H42 | N9 | C20 | 117.8° | 121.6° |
| C29 | C28 | H43 | 108.0° | 109.6° |
| C29 | C28 | H44 | 108.0° | 109.6° |
| C28 | C29 | O8 | 119.7° | 120.7° |
| C28 | C29 | N10 | 117.4° | 118.6° |
| H43 | C28 | H44 | 109.5° | 109.7° |
| O8 | C29 | N10 | 122.9° | 120.7° |
| C30 | N10 | H45 | 117.9° | 121.9° |
| N10 | C30 | C31 | 112.3° | 108.4° |
| N10 | C30 | C32 | 111.2° | 109.7° |
| N10 | C30 | H46 | 109.3° | 109.7° |
| C30 | N10 | C29 | 124.1° | 116.0° |
| H45 | N10 | C29 | 117.9° | 122.1° |
| C31 | C30 | C32 | 107.1° | 109.7° |
| C31 | C30 | H46 | 108.7° | 109.7° |
| C30 | C31 | O9 | 119.9° | 120.5° |
| C30 | C31 | N11 | 116.5° | 119.1° |
| C32 | C30 | H46 | 108.3° | 109.7° |
| C30 | C32 | C33 | 117.5° | 109.5° |
| C30 | C32 | H47 | 107.4° | 109.4° |
| C30 | C32 | H48 | 107.4° | 109.4° |
| O9 | C31 | N11 | 123.4° | 120.5° |
| C33 | C32 | H47 | 107.4° | 109.5° |
| C33 | C32 | H48 | 107.4° | 109.5° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C32 | C33 | C35 | 120.7° | 120.0° |
| H47 | C32 | H48 | 109.5° | 109.5° |
| C34 | C33 | C35 | 118.3° | 120.0° |
| C33 | C34 | C36 | 120.7° | 120.0° |
| C33 | C34 | H49 | 119.6° | 120.0° |
| C33 | C35 | C37 | 120.8° | 120.0° |
| C33 | C35 | H50 | 119.7° | 120.0° |
| C36 | C34 | H49 | 119.6° | 120.0° |
| C34 | C36 | C38 | 119.9° | 120.0° |
| C34 | C36 | H51 | 120.1° | 120.0° |
| C37 | C35 | H50 | 119.6° | 120.0° |
| C35 | C37 | C38 | 119.9° | 120.0° |
| C35 | C37 | H52 | 120.0° | 120.0° |
| C38 | C36 | H51 | 120.1° | 120.0° |
| C36 | C38 | C37 | 120.4° | 120.0° |
| C36 | C38 | H53 | 119.8° | 120.0° |
| C38 | C37 | H52 | 120.0° | 120.0° |
| C37 | C38 | H53 | 119.8° | 120.0° |
| C39 | N11 | H54 | 118.7° | 121.8° |
| N11 | C39 | C40 | 106.7° | 108.2° |
| N11 | C39 | C41 | 110.7° | 109.7° |
| N11 | C39 | H55 | 110.5° | 109.7° |
| C39 | N11 | C31 | 122.7° | 116.3° |
| H54 | N11 | C31 | 118.7° | 121.9° |
| C40 | C39 | C41 | 110.1° | 109.8° |
| C40 | C39 | H55 | 109.4° | 109.7° |
| C39 | C40 | O10 | 120.1° | 120.0° |
| C39 | C40 | N13 | 117.2° | 120.1° |
| C41 | C39 | H55 | 109.4° | 109.7° |
| C39 | C41 | C42 | 115.5° | 109.5° |
| C39 | C41 | H56 | 107.9° | 109.4° |
| C39 | C41 | H57 | 108.0° | 109.5° |
| O10 | C40 | N13 | 122.6° | 119.9° |
| C42 | C41 | H56 | 107.9° | 109.5° |
| C42 | C41 | H57 | 107.9° | 109.5° |
| C41 | C42 | C43 | 110.7° | 109.5° |
| C41 | C42 | H58 | 109.2° | 109.5° |
| C41 | C42 | H59 | 109.1° | 109.5° |
| H56 | C41 | H57 | 109.5° | 109.4° |
| C43 | C42 | H58 | 109.1° | 109.5° |
| C43 | C42 | H59 | 109.2° | 109.5° |
| C42 | C43 | C44 | 113.5° | 109.5° |
| C42 | C43 | H60 | 108.4° | 109.5° |
| C42 | C43 | H61 | 108.5° | 109.5° |
| H58 | C42 | H59 | 109.5° | 109.4° |
| C44 | C43 | H60 | 108.5° | 109.4° |
| C44 | C43 | H61 | 108.4° | 109.5° |
| C43 | C44 | N12 | 111.7° | 109.4° |
| C43 | C44 | H62 | 108.9° | 109.5° |
| C43 | C44 | H63 | 108.9° | 109.5° |
| H60 | C43 | H61 | 109.5° | 109.5° |
| N12 | C44 | H62 | 108.9° | 109.5° |
| N12 | C44 | H63 | 108.9° | 109.5° |
| C44 | N12 | H64 | 109.5° | 109.5° |
| C44 | N12 | H65 | 109.5° | 109.4° |
| C44 | N12 | H66 | 109.5° | 109.4° |
| H62 | C44 | H63 | 109.5° | 109.5° |
| H64 | N12 | H65 | 109.5° | 109.5° |
| H64 | N12 | H66 | 109.5° | 109.4° |
| H65 | N12 | H66 | 109.5° | 109.5° |
| C45 | N13 | H67 | 118.6° | 122.4° |
| N13 | C45 | C46 | 108.6° | 109.4° |
| N13 | C45 | C47 | 113.3° | 109.5° |
| N13 | C45 | H68 | 107.7° | 109.5° |
| C45 | N13 | C40 | 122.8° | 115.2° |
| H67 | N13 | C40 | 118.6° | 122.4° |
| C46 | C45 | C47 | 113.5° | 109.5° |
| C46 | C45 | H68 | 106.9° | 109.5° |
| C45 | C46 | O11 | 120.1° | 120.1° |
| C45 | C46 | N14 | 116.1° | 119.7° |
| C47 | C45 | H68 | 106.5° | 109.5° |
| C45 | C47 | C48 | 112.7° | 109.5° |
| C45 | C47 | C49 | 112.1° | 109.5° |
| C45 | C47 | H69 | 106.5° | 109.4° |
| O11 | C46 | N14 | 123.7° | 120.2° |
| C48 | C47 | C49 | 111.6° | 109.5° |
| C48 | C47 | H69 | 106.6° | 109.5° |
| C47 | C48 | C50 | 117.2° | 109.5° |
| C47 | C48 | H70 | 107.5° | 109.4° |
| C47 | C48 | H71 | 107.5° | 109.4° |
| C49 | C47 | H69 | 106.8° | 109.5° |
| C47 | C49 | H72 | 109.5° | 109.4° |
| C47 | C49 | H73 | 109.5° | 109.4° |
| C47 | C49 | H74 | 109.5° | 109.4° |
| C50 | C48 | H70 | 107.5° | 109.5° |
| C50 | C48 | H71 | 107.5° | 109.5° |
| C48 | C50 | H75 | 109.5° | 109.5° |
| C48 | C50 | H76 | 109.5° | 109.5° |
| C48 | C50 | H77 | 109.5° | 109.5° |
| H70 | C48 | H71 | 109.5° | 109.4° |
| H72 | C49 | H73 | 109.5° | 109.5° |
| H72 | C49 | H74 | 109.5° | 109.5° |
| H73 | C49 | H74 | 109.5° | 109.5° |
| H75 | C50 | H76 | 109.4° | 109.4° |
| H75 | C50 | H77 | 109.5° | 109.4° |
| H76 | C50 | H77 | 109.5° | 109.5° |
| C51 | N14 | H78 | 118.6° | 121.5° |
| N14 | C51 | C52 | 109.6° | 109.4° |
| N14 | C51 | C53 | 109.3° | 109.5° |
| N14 | C51 | H79 | 109.7° | 109.5° |
| C51 | N14 | C46 | 122.8° | 117.0° |
| H78 | N14 | C46 | 118.6° | 121.5° |
| C52 | C51 | C53 | 110.2° | 109.4° |
| C52 | C51 | H79 | 109.1° | 109.5° |
| C51 | C52 | O12 | 116.0° | 120.1° |
| C51 | C52 | N17 | 109.7° | 119.8° |
| C53 | C51 | H79 | 109.1° | 109.5° |
| C51 | C53 | C54 | 112.9° | 109.4° |
| C51 | C53 | H80 | 108.6° | 109.5° |
| C51 | C53 | H81 | 108.6° | 109.5° |
| O12 | C52 | N17 | 133.4° | 120.1° |
| C54 | C53 | H80 | 108.6° | 109.5° |
| C54 | C53 | H81 | 108.6° | 109.4° |
| C53 | C54 | N15 | 122.0° | 126.0° |
| C53 | C54 | C55 | 131.5° | 126.0° |
| H80 | C53 | H81 | 109.5° | 109.6° |
| N15 | C54 | C55 | 106.6° | 108.0° |
| C54 | N15 | C56 | 109.2° | 109.3° |
| C54 | N15 | H82 | 125.4° | 125.3° |
| C54 | C55 | N16 | 107.3° | 106.8° |
| C54 | C55 | H83 | 126.3° | 126.6° |
| C56 | N15 | H82 | 125.4° | 125.4° |
| N15 | C56 | N16 | 108.2° | 108.7° |
| N15 | C56 | H84 | 125.9° | 125.6° |
| N16 | C55 | H83 | 126.4° | 126.6° |
| C55 | N16 | C56 | 108.8° | 107.2° |
| C55 | N16 | H85 | 125.6° | 126.4° |
| N16 | C56 | H84 | 125.9° | 125.6° |
| C56 | N16 | H85 | 125.6° | 126.4° |
| C57 | N17 | H86 | 123.0° | 121.8° |
| N17 | C57 | C58 | 113.6° | 109.5° |
| N17 | C57 | H87 | 107.9° | 109.5° |
| C57 | N17 | C52 | 114.1° | 116.5° |
| N17 | C57 | C70 | 112.8° | 109.2° |
| H86 | N17 | C52 | 123.0° | 121.8° |
| C58 | C57 | H87 | 107.0° | 109.6° |
| C57 | C58 | O13 | 120.5° | 120.1° |
| C57 | C58 | N18 | 115.8° | 120.0° |
| C58 | C57 | C70 | 108.0° | 109.5° |
| H87 | C57 | C70 | 107.3° | 109.5° |
| O13 | C58 | N18 | 123.6° | 120.0° |
| C59 | N18 | H88 | 118.7° | 119.9° |
| N18 | C59 | C60 | 115.7° | 109.5° |
| N18 | C59 | H89 | 107.9° | 109.5° |
| N18 | C59 | H90 | 107.9° | 109.5° |
| C59 | N18 | C58 | 122.6° | 120.0° |
| H88 | N18 | C58 | 118.7° | 120.1° |
| C60 | C59 | H89 | 107.9° | 109.4° |
| C60 | C59 | H90 | 107.9° | 109.4° |
| C59 | C60 | O14 | 121.0° | 120.0° |
| C59 | C60 | N19 | 115.4° | 120.0° |
| H89 | C59 | H90 | 109.5° | 109.5° |
| O14 | C60 | N19 | 123.5° | 120.0° |
| C61 | N19 | H91 | 119.0° | 120.1° |
| N19 | C61 | C62 | 112.5° | 109.4° |
| N19 | C61 | H92 | 108.7° | 109.5° |
| N19 | C61 | H93 | 108.7° | 109.4° |
| C61 | N19 | C60 | 121.9° | 120.0° |
| H91 | N19 | C60 | 119.1° | 120.0° |
| C62 | C61 | H92 | 108.7° | 109.5° |
| C62 | C61 | H93 | 108.7° | 109.5° |
| C61 | C62 | O15 | 119.9° | 120.0° |
| C61 | C62 | N20 | 117.1° | 120.0° |
| H92 | C61 | H93 | 109.5° | 109.5° |
| O15 | C62 | N20 | 123.1° | 120.0° |
| H94 | N20 | H95 | 120.0° | 120.0° |
| H94 | N20 | C62 | 120.0° | 120.0° |
| H95 | N20 | C62 | 120.0° | 120.0° |
| C70 | N25 | N22 | 120.5° | 125.8° |
| C70 | N25 | C69 | 128.5° | 125.9° |
| N25 | C70 | H101 | 108.5° | 109.5° |
| N25 | C70 | H102 | 108.5° | 109.4° |
| N25 | C70 | C57 | 113.2° | 109.9° |
| N25 | N22 | N26 | 107.0° | 110.7° |
| N22 | N25 | C69 | 111.0° | 108.3° |
| N22 | N26 | C68 | 109.1° | 108.7° |
| N25 | C69 | C68 | 105.1° | 106.4° |
| N25 | C69 | H100 | 127.5° | 126.8° |
| N26 | C68 | C69 | 107.8° | 105.8° |
| N26 | C68 | C67 | 122.2° | 124.7° |
| C69 | C68 | C67 | 130.0° | 129.4° |
| C68 | C69 | H100 | 127.5° | 126.8° |
| C68 | C67 | C66 | 120.3° | 118.1° |
| C68 | C67 | C72 | 120.0° | 122.1° |
| O17 | C75 | C71 | 121.9° | 120.0° |
| O17 | C75 | O16 | 122.9° | 120.0° |
| C67 | C66 | C71 | 120.2° | 120.3° |
| C66 | C67 | C72 | 119.7° | 119.7° |
| C67 | C66 | H99 | 119.9° | 119.9° |
| C66 | C71 | C75 | 120.4° | 120.2° |
| C66 | C71 | C73 | 119.7° | 119.8° |
| C71 | C66 | H99 | 119.9° | 119.8° |
| C67 | C72 | C65 | 120.3° | 120.2° |
| C67 | C72 | H104 | 119.8° | 119.9° |
| C71 | C75 | O16 | 115.2° | 120.0° |
| C75 | C71 | C73 | 119.9° | 120.0° |
| C75 | O16 | H103 | 109.5° | 117.0° |
| C71 | C73 | C65 | 120.3° | 120.2° |
| C71 | C73 | H105 | 119.9° | 119.9° |
| C72 | C65 | C73 | 119.7° | 119.8° |
| C72 | C65 | C74 | 120.1° | 123.4° |
| C65 | C72 | H104 | 119.8° | 119.9° |
| C73 | C65 | C74 | 120.1° | 116.8° |
| C65 | C73 | H105 | 119.8° | 119.9° |
| C65 | C74 | N21 | 122.2° | 123.5° |
| C65 | C74 | C64 | 130.0° | 130.4° |
| N21 | C74 | C64 | 107.8° | 106.1° |
| C74 | N21 | N24 | 109.2° | 108.6° |
| C74 | C64 | N23 | 105.1° | 106.3° |
| C74 | C64 | H98 | 127.5° | 126.8° |
| N21 | N24 | N23 | 107.0° | 110.7° |
| C64 | N23 | N24 | 111.0° | 108.3° |
| C64 | N23 | C63 | 128.4° | 127.1° |
| N23 | C64 | H98 | 127.4° | 126.9° |
| N24 | N23 | C63 | 120.6° | 124.6° |
| N23 | C63 | H96 | 109.6° | 108.9° |
| N23 | C63 | H97 | 109.6° | 108.9° |
| N23 | C63 | C5 | 108.8° | 112.0° |
| H96 | C63 | H97 | 109.5° | 109.0° |
| H96 | C63 | C5 | 109.6° | 109.0° |
| H97 | C63 | C5 | 109.6° | 109.1° |
| H101 | C70 | H102 | 109.5° | 109.3° |
| H101 | C70 | C57 | 108.5° | 109.4° |
| H102 | C70 | C57 | 108.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.7° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.1° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 0.4° | 5.1° |
| O1 | C1 | N1 | H4 | 179.6° | 174.9° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.9° | 174.5° |
| C2 | C1 | N1 | H4 | 0.1° | 5.5° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 179.7° | 89.7° |
| H2 | C2 | C1 | N1 | 60.3° | 30.3° |
| H3 | C2 | C1 | N1 | 59.7° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | H5 | 121.2° | 120.0° |
| N1 | C3 | C4 | H6 | 121.2° | 119.9° |
| N1 | C3 | H5 | H6 | 116.3° | 120.0° |
| N1 | C3 | C4 | O2 | 161.7° | 5.4° |
| N1 | C3 | C4 | N2 | 17.7° | 174.6° |
| H4 | N1 | C3 | C4 | 38.8° | 5.2° |
| H4 | N1 | C3 | H5 | 82.3° | 125.2° |
| H4 | N1 | C3 | H6 | 160.0° | 114.8° |
| C4 | C3 | H5 | H6 | 116.3° | 120.0° |
| C3 | C4 | O2 | N2 | 179.4° | 180.0° |
| C3 | C4 | N2 | C5 | 163.9° | 175.4° |
| C3 | C4 | N2 | H7 | 16.1° | 4.7° |
| C4 | C3 | N1 | C1 | 141.2° | 174.8° |
| H5 | C3 | C4 | O2 | 40.5° | 114.6° |
| H5 | C3 | N1 | C1 | 97.7° | 54.8° |
| H5 | C3 | C4 | N2 | 138.9° | 65.4° |
| H6 | C3 | C4 | O2 | 77.2° | 125.4° |
| H6 | C3 | N1 | C1 | 20.0° | 65.2° |
| H6 | C3 | C4 | N2 | 103.4° | 54.6° |
| O2 | C4 | N2 | C5 | 15.5° | 4.7° |
| O2 | C4 | N2 | H7 | 164.5° | 175.3° |
| C5 | N2 | H7 | C4 | 180.0° | 179.9° |
| N2 | C5 | C6 | H8 | 116.5° | 120.1° |
| N2 | C5 | C6 | C63 | 127.4° | 120.0° |
| N2 | C5 | H8 | C63 | 119.7° | 120.1° |
| N2 | C5 | C6 | O3 | 156.1° | 78.0° |
| N2 | C5 | C63 | N23 | 175.2° | 40.7° |
| N2 | C5 | C63 | H96 | 64.9° | 79.9° |
| N2 | C5 | C63 | H97 | 55.3° | 161.3° |
| N2 | C5 | C6 | N3 | 0.1° | 102.0° |
| H7 | N2 | C5 | C6 | 65.9° | 123.6° |
| H7 | N2 | C5 | H8 | 178.2° | 3.5° |
| H7 | N2 | C5 | C63 | 62.1° | 116.6° |
| C6 | C5 | H8 | C63 | 120.5° | 119.7° |
| C5 | C6 | O3 | N3 | 154.4° | 180.0° |
| C5 | C6 | N3 | C7 | 154.2° | 172.9° |
| C5 | C6 | N3 | H9 | 25.9° | 7.3° |
| C6 | C5 | C63 | N23 | 57.3° | 160.7° |
| C6 | C5 | C63 | H96 | 62.6° | 40.1° |
| C6 | C5 | C63 | H97 | 177.2° | 78.7° |
| C6 | C5 | N2 | C4 | 114.1° | 56.3° |
| H8 | C5 | C6 | O3 | 39.6° | 161.9° |
| H8 | C5 | C63 | N23 | 58.6° | 79.4° |
| H8 | C5 | C63 | H96 | 178.5° | 160.0° |
| H8 | C5 | C63 | H97 | 61.3° | 41.1° |
| H8 | C5 | N2 | C4 | 1.8° | 176.4° |
| H8 | C5 | C6 | N3 | 116.6° | 18.1° |
| O3 | C6 | N3 | C7 | 1.0° | 7.1° |
| O3 | C6 | N3 | H9 | 178.9° | 172.8° |
| O3 | C6 | C5 | C63 | 76.5° | 42.0° |
| C7 | N3 | H9 | C6 | 180.0° | 179.8° |
| N3 | C7 | C8 | C9 | 125.5° | 120.2° |
| N3 | C7 | C8 | H10 | 118.3° | 120.2° |
| N3 | C7 | C9 | H10 | 117.6° | 119.6° |
| N3 | C7 | C8 | O4 | 51.3° | 10.4° |
| N3 | C7 | C9 | C10 | 74.3° | 51.5° |
| N3 | C7 | C9 | H11 | 46.3° | 171.5° |
| N3 | C7 | C9 | H12 | 165.1° | 68.5° |
| N3 | C7 | C8 | N7 | 128.5° | 169.6° |
| H9 | N3 | C7 | C8 | 127.2° | 22.8° |
| H9 | N3 | C7 | C9 | 2.1° | 143.0° |
| H9 | N3 | C7 | H10 | 115.0° | 97.4° |
| C8 | C7 | C9 | H10 | 116.3° | 119.6° |
| C7 | C8 | O4 | N7 | 179.7° | 180.0° |
| C8 | C7 | C9 | C10 | 159.6° | 69.2° |
| C8 | C7 | C9 | H11 | 79.8° | 50.8° |
| C8 | C7 | C9 | H12 | 39.0° | 170.8° |
| C7 | C8 | N7 | C13 | 177.4° | 179.9° |
| C7 | C8 | N7 | H22 | 2.6° | 0.1° |
| C8 | C7 | N3 | C6 | 52.8° | 157.1° |
| C9 | C7 | C8 | O4 | 74.2° | 130.7° |
| C7 | C9 | C10 | H11 | 120.7° | 120.0° |
| C7 | C9 | C10 | H12 | 120.6° | 120.0° |
| C7 | C9 | H11 | H12 | 118.0° | 120.0° |
| C7 | C9 | C10 | C11 | 168.6° | 178.0° |
| C7 | C9 | C10 | H13 | 48.4° | 58.0° |
| C7 | C9 | C10 | H14 | 71.2° | 62.0° |
| C9 | C7 | N3 | C6 | 177.9° | 36.8° |
| C9 | C7 | C8 | N7 | 106.0° | 49.4° |
| H10 | C7 | C8 | O4 | 169.5° | 109.7° |
| H10 | C7 | C9 | C10 | 43.3° | 171.2° |
| H10 | C7 | C9 | H11 | 163.9° | 68.9° |
| H10 | C7 | C9 | H12 | 77.3° | 51.1° |
| H10 | C7 | N3 | C6 | 65.0° | 82.8° |
| H10 | C7 | C8 | N7 | 10.2° | 70.2° |
| O4 | C8 | N7 | C13 | 2.9° | 0.1° |
| O4 | C8 | N7 | H22 | 177.1° | 180.0° |
| C10 | C9 | H11 | H12 | 117.9° | 120.0° |
| C9 | C10 | C11 | H13 | 120.2° | 119.9° |
| C9 | C10 | C11 | H14 | 120.2° | 120.0° |
| C9 | C10 | H13 | H14 | 119.5° | 120.0° |
| C9 | C10 | C11 | N4 | 153.5° | 176.6° |
| C9 | C10 | C11 | H15 | 33.0° | 63.3° |
| C9 | C10 | C11 | H16 | 86.1° | 56.7° |
| H11 | C9 | C10 | C11 | 70.7° | 62.0° |
| H11 | C9 | C10 | H13 | 169.1° | 178.0° |
| H11 | C9 | C10 | H14 | 49.4° | 58.0° |
| H12 | C9 | C10 | C11 | 47.9° | 57.9° |
| H12 | C9 | C10 | H13 | 72.2° | 62.0° |
| H12 | C9 | C10 | H14 | 168.1° | 178.0° |
| C11 | C10 | H13 | H14 | 119.4° | 120.0° |
| C10 | C11 | N4 | H15 | 120.4° | 120.0° |
| C10 | C11 | N4 | H16 | 120.4° | 120.0° |
| C10 | C11 | H15 | H16 | 118.7° | 120.0° |
| C10 | C11 | N4 | C12 | 117.5° | 175.9° |
| C10 | C11 | N4 | H17 | 62.5° | 4.3° |
| H13 | C10 | C11 | N4 | 86.4° | 56.7° |
| H13 | C10 | C11 | H15 | 153.2° | 176.7° |
| H13 | C10 | C11 | H16 | 34.1° | 63.3° |
| H14 | C10 | C11 | N4 | 33.3° | 63.4° |
| H14 | C10 | C11 | H15 | 87.2° | 56.7° |
| H14 | C10 | C11 | H16 | 153.7° | 176.7° |
| N4 | C11 | H15 | H16 | 118.7° | 120.0° |
| C11 | N4 | C12 | H17 | 180.0° | 179.9° |
| C11 | N4 | C12 | N5 | 179.2° | 3.1° |
| C11 | N4 | C12 | N6 | 0.1° | 176.9° |
| H15 | C11 | N4 | C12 | 122.1° | 64.1° |
| H15 | C11 | N4 | H17 | 57.9° | 115.8° |
| H16 | C11 | N4 | C12 | 3.0° | 55.9° |
| H16 | C11 | N4 | H17 | 177.0° | 124.2° |
| N4 | C12 | N5 | N6 | 179.3° | 180.0° |
| N4 | C12 | N5 | H18 | 179.3° | 0.0° |
| N4 | C12 | N5 | H19 | 0.8° | 180.0° |
| N4 | C12 | N6 | H20 | 179.3° | 175.7° |
| N4 | C12 | N6 | H21 | 0.8° | 4.3° |
| H17 | N4 | C12 | N5 | 0.8° | 177.0° |
| H17 | N4 | C12 | N6 | 179.9° | 3.0° |
| C12 | N5 | H18 | H19 | 179.9° | 180.0° |
| N5 | C12 | N6 | H20 | 0.0° | 4.3° |
| N5 | C12 | N6 | H21 | 180.0° | 175.7° |
| N6 | C12 | N5 | H18 | 0.0° | 180.0° |
| N6 | C12 | N5 | H19 | 180.0° | 0.0° |
| C12 | N6 | H20 | H21 | 180.0° | 180.0° |
| C13 | N7 | H22 | C8 | 180.0° | 180.0° |
| N7 | C13 | C14 | C15 | 123.9° | 119.8° |
| N7 | C13 | C14 | H23 | 117.5° | 119.8° |
| N7 | C13 | C15 | H23 | 119.2° | 120.4° |
| N7 | C13 | C14 | O5 | 66.7° | 18.5° |
| N7 | C13 | C15 | C16 | 177.3° | 66.4° |
| N7 | C13 | C15 | H24 | 61.5° | 53.6° |
| N7 | C13 | C15 | H25 | 56.1° | 173.6° |
| N7 | C13 | C14 | N8 | 111.0° | 161.5° |
| H22 | N7 | C13 | C14 | 65.6° | 44.3° |
| H22 | N7 | C13 | C15 | 58.8° | 75.4° |
| H22 | N7 | C13 | H23 | 177.4° | 164.1° |
| C14 | C13 | C15 | H23 | 118.7° | 120.4° |
| C13 | C14 | O5 | N8 | 177.5° | 180.0° |
| C14 | C13 | C15 | C16 | 55.1° | 174.4° |
| C14 | C13 | C15 | H24 | 176.3° | 65.6° |
| C14 | C13 | C15 | H25 | 66.1° | 54.4° |
| C13 | C14 | N8 | C19 | 176.5° | 179.4° |
| C13 | C14 | N8 | H33 | 3.6° | 0.5° |
| C14 | C13 | N7 | C8 | 114.4° | 135.7° |
| C15 | C13 | C14 | O5 | 57.2° | 101.3° |
| C13 | C15 | C16 | H24 | 121.2° | 120.0° |
| C13 | C15 | C16 | H25 | 121.2° | 120.0° |
| C13 | C15 | H24 | H25 | 116.3° | 120.0° |
| C13 | C15 | C16 | C17 | 56.5° | 176.7° |
| C13 | C15 | C16 | C18 | 179.5° | 63.4° |
| C13 | C15 | C16 | H26 | 62.3° | 56.7° |
| C15 | C13 | N7 | C8 | 121.2° | 104.6° |
| C15 | C13 | C14 | N8 | 125.1° | 78.8° |
| H23 | C13 | C14 | O5 | 175.8° | 138.3° |
| H23 | C13 | C15 | C16 | 63.5° | 54.0° |
| H23 | C13 | C15 | H24 | 57.6° | 174.0° |
| H23 | C13 | C15 | H25 | 175.3° | 65.9° |
| H23 | C13 | N7 | C8 | 2.6° | 15.9° |
| H23 | C13 | C14 | N8 | 6.5° | 41.7° |
| O5 | C14 | N8 | C19 | 1.1° | 0.6° |
| O5 | C14 | N8 | H33 | 178.9° | 179.5° |
| C16 | C15 | H24 | H25 | 116.2° | 120.0° |
| C15 | C16 | C17 | C18 | 123.4° | 120.0° |
| C15 | C16 | C17 | H26 | 118.7° | 120.0° |
| C15 | C16 | C18 | H26 | 118.0° | 120.1° |
| C15 | C16 | C17 | H27 | 180.0° | 55.0° |
| C15 | C16 | C17 | H28 | 60.0° | 175.0° |
| C15 | C16 | C17 | H29 | 60.0° | 64.9° |
| C15 | C16 | C18 | H30 | 180.0° | 60.1° |
| C15 | C16 | C18 | H31 | 60.0° | 180.0° |
| C15 | C16 | C18 | H32 | 60.0° | 60.0° |
| H24 | C15 | C16 | C17 | 64.6° | 56.7° |
| H24 | C15 | C16 | C18 | 58.3° | 176.7° |
| H24 | C15 | C16 | H26 | 176.6° | 63.3° |
| H25 | C15 | C16 | C17 | 177.7° | 63.4° |
| H25 | C15 | C16 | C18 | 59.3° | 56.6° |
| H25 | C15 | C16 | H26 | 58.9° | 176.7° |
| C17 | C16 | C18 | H26 | 117.6° | 119.9° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H29 | 120.0° | 120.0° |
| C16 | C17 | H28 | H29 | 120.0° | 120.1° |
| C17 | C16 | C18 | H30 | 55.6° | 179.9° |
| C17 | C16 | C18 | H31 | 64.4° | 60.0° |
| C17 | C16 | C18 | H32 | 175.6° | 60.0° |
| C18 | C16 | C17 | H27 | 56.6° | 65.0° |
| C18 | C16 | C17 | H28 | 176.6° | 55.0° |
| C18 | C16 | C17 | H29 | 63.4° | 175.0° |
| C16 | C18 | H30 | H31 | 120.0° | 119.9° |
| C16 | C18 | H30 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| H26 | C16 | C17 | H27 | 61.3° | 175.0° |
| H26 | C16 | C17 | H28 | 58.7° | 65.0° |
| H26 | C16 | C17 | H29 | 178.7° | 55.1° |
| H26 | C16 | C18 | H30 | 62.0° | 60.0° |
| H26 | C16 | C18 | H31 | 178.0° | 59.9° |
| H26 | C16 | C18 | H32 | 58.0° | 180.0° |
| H27 | C17 | H28 | H29 | 120.0° | 120.0° |
| H30 | C18 | H31 | H32 | 120.0° | 120.0° |
| C19 | N8 | H33 | C14 | 180.0° | 179.9° |
| N8 | C19 | C20 | C21 | 126.9° | 119.8° |
| N8 | C19 | C20 | H34 | 116.9° | 119.6° |
| N8 | C19 | C21 | H34 | 117.3° | 120.5° |
| N8 | C19 | C20 | O6 | 145.0° | 25.5° |
| N8 | C19 | C21 | C22 | 70.1° | 67.7° |
| N8 | C19 | C21 | H35 | 50.7° | 172.3° |
| N8 | C19 | C21 | H36 | 169.1° | 52.3° |
| N8 | C19 | C20 | N9 | 34.7° | 154.4° |
| H33 | N8 | C19 | C20 | 120.4° | 37.1° |
| H33 | N8 | C19 | C21 | 112.9° | 156.8° |
| H33 | N8 | C19 | H34 | 4.0° | 82.6° |
| C20 | C19 | C21 | H34 | 116.1° | 120.6° |
| C19 | C20 | O6 | N9 | 179.6° | 179.9° |
| C20 | C19 | C21 | C22 | 163.4° | 51.2° |
| C20 | C19 | C21 | H35 | 75.9° | 68.8° |
| C20 | C19 | C21 | H36 | 42.6° | 171.2° |
| C19 | C20 | N9 | C28 | 179.8° | 178.6° |
| C19 | C20 | N9 | H42 | 0.2° | 1.4° |
| C20 | C19 | N8 | C14 | 59.6° | 142.9° |
| C21 | C19 | C20 | O6 | 18.0° | 145.3° |
| C19 | C21 | C22 | H35 | 120.8° | 120.0° |
| C19 | C21 | C22 | H36 | 120.8° | 120.0° |
| C19 | C21 | H35 | H36 | 117.5° | 120.0° |
| C19 | C21 | C22 | C23 | 70.5° | 91.9° |
| C19 | C21 | C22 | C24 | 114.3° | 88.4° |
| C21 | C19 | N8 | C14 | 67.1° | 23.1° |
| C21 | C19 | C20 | N9 | 161.6° | 34.6° |
| H34 | C19 | C20 | O6 | 98.1° | 94.1° |
| H34 | C19 | C21 | C22 | 47.3° | 171.8° |
| H34 | C19 | C21 | H35 | 168.1° | 51.8° |
| H34 | C19 | C21 | H36 | 73.5° | 68.2° |
| H34 | C19 | N8 | C14 | 176.0° | 97.5° |
| H34 | C19 | C20 | N9 | 82.3° | 86.0° |
| O6 | C20 | N9 | C28 | 0.1° | 1.5° |
| O6 | C20 | N9 | H42 | 179.9° | 178.6° |
| C22 | C21 | H35 | H36 | 117.5° | 120.0° |
| C21 | C22 | C23 | C24 | 175.4° | 179.7° |
| C21 | C22 | C23 | C25 | 178.8° | 180.0° |
| C21 | C22 | C23 | H37 | 1.2° | 0.0° |
| C21 | C22 | C24 | C26 | 178.1° | 180.0° |
| C21 | C22 | C24 | H38 | 1.9° | 0.1° |
| H35 | C21 | C22 | C23 | 168.7° | 28.1° |
| H35 | C21 | C22 | C24 | 6.5° | 151.6° |
| H36 | C21 | C22 | C23 | 50.3° | 148.1° |
| H36 | C21 | C22 | C24 | 124.9° | 31.6° |
| C22 | C23 | C25 | H37 | 180.0° | 180.0° |
| C23 | C22 | C24 | C26 | 2.7° | 0.3° |
| C23 | C22 | C24 | H38 | 177.3° | 179.8° |
| C22 | C23 | C25 | C27 | 2.0° | 0.1° |
| C22 | C23 | C25 | H39 | 178.0° | 180.0° |
| C24 | C22 | C23 | C25 | 3.4° | 0.3° |
| C24 | C22 | C23 | H37 | 176.6° | 179.7° |
| C22 | C24 | C26 | H38 | 180.0° | 179.9° |
| C22 | C24 | C26 | C27 | 0.6° | 0.0° |
| C22 | C24 | C26 | H40 | 179.4° | 180.0° |
| C23 | C25 | C27 | H39 | 180.0° | 180.0° |
| C23 | C25 | C27 | C26 | 0.2° | 0.3° |
| C23 | C25 | C27 | O7 | 179.5° | 180.0° |
| H37 | C23 | C25 | C27 | 178.0° | 180.0° |
| H37 | C23 | C25 | H39 | 2.0° | 0.0° |
| C24 | C26 | C27 | C25 | 0.8° | 0.3° |
| C24 | C26 | C27 | H40 | 180.0° | 180.0° |
| C24 | C26 | C27 | O7 | 179.8° | 180.0° |
| H38 | C24 | C26 | C27 | 179.3° | 179.9° |
| H38 | C24 | C26 | H40 | 0.7° | 0.1° |
| C25 | C27 | C26 | O7 | 179.4° | 179.8° |
| C25 | C27 | C26 | H40 | 179.2° | 179.7° |
| C25 | C27 | O7 | H41 | 180.0° | 94.6° |
| H39 | C25 | C27 | C26 | 179.8° | 179.7° |
| H39 | C25 | C27 | O7 | 0.5° | 0.0° |
| C26 | C27 | O7 | H41 | 0.7° | 85.2° |
| H40 | C26 | C27 | O7 | 0.2° | 0.0° |
| C28 | N9 | H42 | C20 | 180.0° | 180.0° |
| N9 | C28 | C29 | H43 | 120.8° | 119.7° |
| N9 | C28 | C29 | H44 | 120.9° | 119.8° |
| N9 | C28 | H43 | H44 | 117.4° | 120.4° |
| N9 | C28 | C29 | O8 | 164.4° | 17.5° |
| N9 | C28 | C29 | N10 | 16.3° | 162.5° |
| H42 | N9 | C28 | C29 | 86.5° | 30.1° |
| H42 | N9 | C28 | H43 | 34.3° | 149.9° |
| H42 | N9 | C28 | H44 | 152.6° | 89.7° |
| C29 | C28 | H43 | H44 | 117.4° | 120.4° |
| C28 | C29 | O8 | N10 | 179.3° | 180.0° |
| C28 | C29 | N10 | C30 | 178.8° | 178.7° |
| C28 | C29 | N10 | H45 | 1.2° | 1.4° |
| C29 | C28 | N9 | C20 | 93.5° | 149.9° |
| H43 | C28 | C29 | O8 | 43.5° | 137.2° |
| H43 | C28 | N9 | C20 | 145.7° | 30.2° |
| H43 | C28 | C29 | N10 | 137.1° | 42.8° |
| H44 | C28 | C29 | O8 | 74.8° | 102.3° |
| H44 | C28 | N9 | C20 | 27.4° | 90.3° |
| H44 | C28 | C29 | N10 | 104.6° | 77.7° |
| O8 | C29 | N10 | C30 | 0.6° | 1.3° |
| O8 | C29 | N10 | H45 | 179.4° | 178.6° |
| C30 | N10 | H45 | C29 | 180.0° | 179.9° |
| N10 | C30 | C31 | C32 | 122.3° | 119.7° |
| N10 | C30 | C31 | H46 | 121.0° | 119.7° |
| N10 | C30 | C32 | H46 | 120.0° | 120.5° |
| N10 | C30 | C31 | O9 | 51.2° | 18.3° |
| N10 | C30 | C32 | C33 | 64.1° | 179.8° |
| N10 | C30 | C32 | H47 | 57.1° | 60.2° |
| N10 | C30 | C32 | H48 | 174.7° | 59.8° |
| N10 | C30 | C31 | N11 | 134.0° | 161.6° |
| H45 | N10 | C30 | C31 | 91.6° | 40.2° |
| H45 | N10 | C30 | C32 | 28.4° | 160.0° |
| H45 | N10 | C30 | H46 | 147.8° | 79.5° |
| C31 | C30 | C32 | H46 | 117.0° | 120.5° |
| C30 | C31 | O9 | N11 | 174.4° | 180.0° |
| C31 | C30 | C32 | C33 | 173.0° | 60.9° |
| C31 | C30 | C32 | H47 | 65.9° | 179.1° |
| C31 | C30 | C32 | H48 | 51.8° | 59.2° |
| C30 | C31 | N11 | C39 | 173.9° | 179.2° |
| C30 | C31 | N11 | H54 | 6.1° | 1.0° |
| C31 | C30 | N10 | C29 | 88.4° | 139.7° |
| C32 | C30 | C31 | O9 | 71.0° | 138.1° |
| C30 | C32 | C33 | H47 | 121.2° | 120.0° |
| C30 | C32 | C33 | H48 | 121.1° | 120.0° |
| C30 | C32 | H47 | H48 | 116.3° | 120.0° |
| C30 | C32 | C33 | C34 | 84.4° | 64.3° |
| C30 | C32 | C33 | C35 | 100.3° | 115.9° |
| C32 | C30 | N10 | C29 | 151.6° | 19.9° |
| C32 | C30 | C31 | N11 | 103.7° | 41.9° |
| H46 | C30 | C31 | O9 | 172.2° | 101.4° |
| H46 | C30 | C32 | C33 | 55.9° | 59.7° |
| H46 | C30 | C32 | H47 | 177.1° | 60.3° |
| H46 | C30 | C32 | H48 | 65.2° | 179.7° |
| H46 | C30 | N10 | C29 | 32.2° | 100.6° |
| H46 | C30 | C31 | N11 | 13.1° | 78.6° |
| O9 | C31 | N11 | C39 | 0.7° | 0.8° |
| O9 | C31 | N11 | H54 | 179.3° | 179.1° |
| C33 | C32 | H47 | H48 | 116.4° | 120.1° |
| C32 | C33 | C34 | C35 | 175.4° | 179.7° |
| C32 | C33 | C34 | C36 | 177.6° | 179.9° |
| C32 | C33 | C34 | H49 | 2.4° | 0.0° |
| C32 | C33 | C35 | C37 | 177.8° | 179.9° |
| C32 | C33 | C35 | H50 | 2.2° | 0.1° |
| H47 | C32 | C33 | C34 | 154.5° | 55.6° |
| H47 | C32 | C33 | C35 | 20.9° | 124.1° |
| H48 | C32 | C33 | C34 | 36.8° | 175.7° |
| H48 | C32 | C33 | C35 | 138.6° | 4.0° |
| C33 | C34 | C36 | H49 | 180.0° | 180.0° |
| C34 | C33 | C35 | C37 | 2.4° | 0.2° |
| C34 | C33 | C35 | H50 | 177.6° | 179.7° |
| C33 | C34 | C36 | C38 | 0.8° | 0.0° |
| C33 | C34 | C36 | H51 | 179.1° | 179.9° |
| C35 | C33 | C34 | C36 | 2.1° | 0.2° |
| C35 | C33 | C34 | H49 | 177.9° | 179.7° |
| C33 | C35 | C37 | H50 | 180.0° | 179.9° |
| C33 | C35 | C37 | C38 | 1.3° | 0.0° |
| C33 | C35 | C37 | H52 | 178.7° | 180.0° |
| C34 | C36 | C38 | H51 | 180.0° | 179.9° |
| C34 | C36 | C38 | C37 | 0.3° | 0.3° |
| C34 | C36 | C38 | H53 | 179.7° | 180.0° |
| H49 | C34 | C36 | C38 | 179.2° | 180.0° |
| H49 | C34 | C36 | H51 | 0.9° | 0.1° |
| C35 | C37 | C38 | C36 | 0.0° | 0.3° |
| C35 | C37 | C38 | H52 | 180.0° | 180.0° |
| C35 | C37 | C38 | H53 | 180.0° | 180.0° |
| H50 | C35 | C37 | C38 | 178.7° | 179.9° |
| H50 | C35 | C37 | H52 | 1.3° | 0.1° |
| C36 | C38 | C37 | H53 | 180.0° | 179.7° |
| C36 | C38 | C37 | H52 | 180.0° | 179.7° |
| H51 | C36 | C38 | C37 | 179.7° | 179.8° |
| H51 | C36 | C38 | H53 | 0.3° | 0.1° |
| H52 | C37 | C38 | H53 | 0.0° | 0.0° |
| C39 | N11 | H54 | C31 | 180.0° | 179.9° |
| N11 | C39 | C40 | C41 | 120.1° | 119.7° |
| N11 | C39 | C40 | H55 | 119.6° | 119.7° |
| N11 | C39 | C41 | H55 | 122.0° | 120.6° |
| N11 | C39 | C40 | O10 | 23.4° | 19.2° |
| N11 | C39 | C41 | C42 | 73.5° | 65.0° |
| N11 | C39 | C41 | H56 | 47.4° | 55.1° |
| N11 | C39 | C41 | H57 | 165.6° | 175.0° |
| N11 | C39 | C40 | N13 | 154.6° | 160.8° |
| H54 | N11 | C39 | C40 | 107.7° | 33.0° |
| H54 | N11 | C39 | C41 | 12.1° | 86.7° |
| H54 | N11 | C39 | H55 | 133.5° | 152.7° |
| C40 | C39 | C41 | H55 | 120.3° | 120.6° |
| C39 | C40 | O10 | N13 | 177.9° | 180.0° |
| C40 | C39 | C41 | C42 | 168.9° | 176.3° |
| C40 | C39 | C41 | H56 | 70.3° | 63.7° |
| C40 | C39 | C41 | H57 | 48.0° | 56.3° |
| C39 | C40 | N13 | C45 | 179.0° | 179.6° |
| C39 | C40 | N13 | H67 | 0.9° | 0.4° |
| C40 | C39 | N11 | C31 | 72.4° | 147.1° |
| C41 | C39 | C40 | O10 | 96.7° | 100.5° |
| C39 | C41 | C42 | H56 | 120.9° | 120.0° |
| C39 | C41 | C42 | H57 | 120.9° | 120.0° |
| C39 | C41 | H56 | H57 | 117.3° | 120.0° |
| C39 | C41 | C42 | C43 | 158.9° | 180.0° |
| C39 | C41 | C42 | H58 | 81.0° | 60.0° |
| C39 | C41 | C42 | H59 | 38.7° | 60.0° |
| C41 | C39 | N11 | C31 | 167.9° | 93.2° |
| C41 | C39 | C40 | N13 | 85.3° | 79.5° |
| H55 | C39 | C40 | O10 | 143.0° | 138.9° |
| H55 | C39 | C41 | C42 | 48.5° | 55.7° |
| H55 | C39 | C41 | H56 | 169.4° | 175.7° |
| H55 | C39 | C41 | H57 | 72.3° | 64.4° |
| H55 | C39 | N11 | C31 | 46.5° | 27.4° |
| H55 | C39 | C40 | N13 | 35.0° | 41.1° |
| O10 | C40 | N13 | C45 | 3.0° | 0.4° |
| O10 | C40 | N13 | H67 | 177.0° | 179.6° |
| C42 | C41 | H56 | H57 | 117.2° | 120.0° |
| C41 | C42 | C43 | H58 | 120.2° | 120.0° |
| C41 | C42 | C43 | H59 | 120.2° | 120.0° |
| C41 | C42 | H58 | H59 | 119.4° | 120.0° |
| C41 | C42 | C43 | C44 | 151.2° | 180.0° |
| C41 | C42 | C43 | H60 | 88.2° | 60.0° |
| C41 | C42 | C43 | H61 | 30.6° | 59.9° |
| H56 | C41 | C42 | C43 | 38.0° | 60.0° |
| H56 | C41 | C42 | H58 | 158.2° | 180.0° |
| H56 | C41 | C42 | H59 | 82.2° | 60.0° |
| H57 | C41 | C42 | C43 | 80.2° | 60.0° |
| H57 | C41 | C42 | H58 | 39.9° | 60.0° |
| H57 | C41 | C42 | H59 | 159.6° | 180.0° |
| C43 | C42 | H58 | H59 | 119.5° | 120.0° |
| C42 | C43 | C44 | H60 | 120.6° | 120.0° |
| C42 | C43 | C44 | H61 | 120.6° | 120.0° |
| C42 | C43 | H60 | H61 | 118.2° | 120.0° |
| C42 | C43 | C44 | N12 | 175.6° | 180.0° |
| C42 | C43 | C44 | H62 | 64.1° | 60.0° |
| C42 | C43 | C44 | H63 | 55.3° | 60.0° |
| H58 | C42 | C43 | C44 | 31.1° | 60.0° |
| H58 | C42 | C43 | H60 | 151.7° | 180.0° |
| H58 | C42 | C43 | H61 | 89.5° | 60.1° |
| H59 | C42 | C43 | C44 | 88.6° | 60.0° |
| H59 | C42 | C43 | H60 | 32.0° | 60.0° |
| H59 | C42 | C43 | H61 | 150.8° | 180.0° |
| C44 | C43 | H60 | H61 | 118.1° | 120.1° |
| C43 | C44 | N12 | H62 | 120.3° | 120.0° |
| C43 | C44 | N12 | H63 | 120.4° | 120.0° |
| C43 | C44 | H62 | H63 | 119.0° | 120.0° |
| C43 | C44 | N12 | H64 | 180.0° | 60.0° |
| C43 | C44 | N12 | H65 | 60.0° | 60.0° |
| C43 | C44 | N12 | H66 | 60.0° | 180.0° |
| H60 | C43 | C44 | N12 | 55.0° | 60.0° |
| H60 | C43 | C44 | H62 | 175.3° | 180.0° |
| H60 | C43 | C44 | H63 | 65.3° | 60.0° |
| H61 | C43 | C44 | N12 | 63.8° | 60.0° |
| H61 | C43 | C44 | H62 | 56.5° | 60.0° |
| H61 | C43 | C44 | H63 | 175.9° | 180.0° |
| N12 | C44 | H62 | H63 | 119.0° | 120.0° |
| C44 | N12 | H64 | H65 | 120.0° | 120.0° |
| C44 | N12 | H64 | H66 | 120.0° | 120.0° |
| C44 | N12 | H65 | H66 | 120.0° | 119.9° |
| H62 | C44 | N12 | H64 | 59.7° | 180.0° |
| H62 | C44 | N12 | H65 | 179.7° | 59.9° |
| H62 | C44 | N12 | H66 | 60.3° | 60.0° |
| H63 | C44 | N12 | H64 | 59.6° | 60.0° |
| H63 | C44 | N12 | H65 | 60.4° | 180.0° |
| H63 | C44 | N12 | H66 | 179.7° | 60.0° |
| H64 | N12 | H65 | H66 | 120.0° | 120.0° |
| C45 | N13 | H67 | C40 | 180.0° | 180.0° |
| N13 | C45 | C46 | C47 | 127.0° | 120.0° |
| N13 | C45 | C46 | H68 | 115.9° | 120.0° |
| N13 | C45 | C47 | H68 | 118.2° | 120.0° |
| N13 | C45 | C46 | O11 | 48.7° | 35.1° |
| N13 | C45 | C47 | C48 | 46.5° | 164.3° |
| N13 | C45 | C47 | C49 | 173.4° | 75.7° |
| N13 | C45 | C47 | H69 | 70.1° | 44.3° |
| N13 | C45 | C46 | N14 | 129.4° | 144.9° |
| H67 | N13 | C45 | C46 | 85.2° | 13.3° |
| H67 | N13 | C45 | C47 | 41.9° | 133.2° |
| H67 | N13 | C45 | H68 | 159.4° | 106.7° |
| C46 | C45 | C47 | H68 | 117.4° | 120.0° |
| C45 | C46 | O11 | N14 | 178.0° | 179.9° |
| C46 | C45 | C47 | C48 | 170.9° | 75.8° |
| C46 | C45 | C47 | C49 | 62.2° | 44.2° |
| C46 | C45 | C47 | H69 | 54.3° | 164.2° |
| C45 | C46 | N14 | C51 | 177.5° | 174.6° |
| C45 | C46 | N14 | H78 | 2.5° | 5.5° |
| C46 | C45 | N13 | C40 | 94.8° | 166.7° |
| C47 | C45 | C46 | O11 | 78.3° | 155.1° |
| C45 | C47 | C48 | C49 | 127.2° | 120.0° |
| C45 | C47 | C48 | H69 | 116.5° | 119.9° |
| C45 | C47 | C49 | H69 | 116.3° | 120.0° |
| C45 | C47 | C48 | C50 | 60.3° | 173.6° |
| C45 | C47 | C48 | H70 | 60.8° | 66.4° |
| C45 | C47 | C48 | H71 | 178.6° | 53.6° |
| C45 | C47 | C49 | H72 | 180.0° | 60.0° |
| C45 | C47 | C49 | H73 | 60.0° | 180.0° |
| C45 | C47 | C49 | H74 | 60.0° | 60.0° |
| C47 | C45 | N13 | C40 | 138.1° | 46.8° |
| C47 | C45 | C46 | N14 | 103.6° | 25.0° |
| H68 | C45 | C46 | O11 | 164.6° | 84.8° |
| H68 | C45 | C47 | C48 | 71.7° | 44.2° |
| H68 | C45 | C47 | C49 | 55.2° | 164.2° |
| H68 | C45 | C47 | H69 | 171.7° | 75.7° |
| H68 | C45 | N13 | C40 | 20.6° | 73.3° |
| H68 | C45 | C46 | N14 | 13.5° | 95.1° |
| O11 | C46 | N14 | C51 | 0.6° | 5.3° |
| O11 | C46 | N14 | H78 | 179.4° | 174.6° |
| C48 | C47 | C49 | H69 | 116.2° | 120.0° |
| C47 | C48 | C50 | H70 | 121.1° | 120.0° |
| C47 | C48 | C50 | H71 | 121.1° | 120.0° |
| C47 | C48 | H70 | H71 | 116.5° | 119.9° |
| C48 | C47 | C49 | H72 | 52.5° | 60.0° |
| C48 | C47 | C49 | H73 | 172.5° | 60.0° |
| C48 | C47 | C49 | H74 | 67.5° | 180.0° |
| C47 | C48 | C50 | H75 | 180.0° | 60.0° |
| C47 | C48 | C50 | H76 | 60.0° | 60.0° |
| C47 | C48 | C50 | H77 | 60.0° | 180.0° |
| C49 | C47 | C48 | C50 | 66.9° | 66.4° |
| C49 | C47 | C48 | H70 | 172.0° | 53.6° |
| C49 | C47 | C48 | H71 | 54.2° | 173.5° |
| C47 | C49 | H72 | H73 | 120.0° | 119.9° |
| C47 | C49 | H72 | H74 | 120.0° | 120.0° |
| C47 | C49 | H73 | H74 | 120.0° | 120.0° |
| H69 | C47 | C48 | C50 | 176.8° | 53.6° |
| H69 | C47 | C48 | H70 | 55.7° | 173.7° |
| H69 | C47 | C48 | H71 | 62.1° | 66.4° |
| H69 | C47 | C49 | H72 | 63.7° | 180.0° |
| H69 | C47 | C49 | H73 | 56.3° | 60.0° |
| H69 | C47 | C49 | H74 | 176.3° | 60.0° |
| C50 | C48 | H70 | H71 | 116.5° | 120.1° |
| C48 | C50 | H75 | H76 | 120.0° | 120.0° |
| C48 | C50 | H75 | H77 | 120.0° | 120.0° |
| C48 | C50 | H76 | H77 | 120.0° | 120.0° |
| H70 | C48 | C50 | H75 | 58.9° | 180.0° |
| H70 | C48 | C50 | H76 | 178.9° | 60.0° |
| H70 | C48 | C50 | H77 | 61.2° | 60.1° |
| H71 | C48 | C50 | H75 | 58.9° | 60.0° |
| H71 | C48 | C50 | H76 | 61.1° | 180.0° |
| H71 | C48 | C50 | H77 | 178.9° | 60.0° |
| H72 | C49 | H73 | H74 | 120.0° | 120.1° |
| H75 | C50 | H76 | H77 | 120.0° | 119.9° |
| C51 | N14 | H78 | C46 | 180.0° | 179.9° |
| N14 | C51 | C52 | C53 | 120.2° | 119.9° |
| N14 | C51 | C52 | H79 | 120.1° | 120.0° |
| N14 | C51 | C53 | H79 | 119.9° | 120.1° |
| N14 | C51 | C52 | O12 | 52.1° | 39.3° |
| N14 | C51 | C53 | C54 | 159.5° | 65.0° |
| N14 | C51 | C53 | H80 | 39.0° | 54.9° |
| N14 | C51 | C53 | H81 | 80.0° | 175.1° |
| N14 | C51 | C52 | N17 | 136.9° | 140.8° |
| H78 | N14 | C51 | C52 | 96.9° | 52.7° |
| H78 | N14 | C51 | C53 | 23.9° | 67.2° |
| H78 | N14 | C51 | H79 | 143.4° | 172.7° |
| C52 | C51 | C53 | H79 | 119.7° | 120.0° |
| C51 | C52 | O12 | N17 | 168.3° | 179.9° |
| C52 | C51 | C53 | C54 | 80.1° | 175.1° |
| C52 | C51 | C53 | H80 | 159.4° | 64.9° |
| C52 | C51 | C53 | H81 | 40.4° | 55.2° |
| C51 | C52 | N17 | C57 | 164.0° | 175.5° |
| C51 | C52 | N17 | H86 | 16.1° | 4.6° |
| C52 | C51 | N14 | C46 | 83.1° | 127.2° |
| C53 | C51 | C52 | O12 | 68.1° | 159.2° |
| C51 | C53 | C54 | H80 | 120.5° | 120.0° |
| C51 | C53 | C54 | H81 | 120.5° | 119.9° |
| C51 | C53 | H80 | H81 | 118.4° | 120.1° |
| C51 | C53 | C54 | N15 | 63.8° | 95.0° |
| C51 | C53 | C54 | C55 | 115.7° | 85.3° |
| C53 | C51 | N14 | C46 | 156.1° | 112.9° |
| C53 | C51 | C52 | N17 | 102.9° | 20.9° |
| H79 | C51 | C52 | O12 | 172.2° | 80.7° |
| H79 | C51 | C53 | C54 | 39.6° | 55.1° |
| H79 | C51 | C53 | H80 | 80.9° | 175.1° |
| H79 | C51 | C53 | H81 | 160.1° | 64.8° |
| H79 | C51 | N14 | C46 | 36.5° | 7.2° |
| H79 | C51 | C52 | N17 | 16.8° | 99.2° |
| O12 | C52 | N17 | C57 | 4.9° | 4.5° |
| O12 | C52 | N17 | H86 | 175.1° | 175.5° |
| C54 | C53 | H80 | H81 | 118.4° | 120.0° |
| C53 | C54 | N15 | C55 | 179.6° | 179.7° |
| C53 | C54 | N15 | C56 | 179.8° | 180.0° |
| C53 | C54 | N15 | H82 | 0.2° | 0.0° |
| C53 | C54 | C55 | N16 | 179.4° | 180.0° |
| C53 | C54 | C55 | H83 | 0.6° | 0.1° |
| H80 | C53 | C54 | N15 | 56.8° | 25.0° |
| H80 | C53 | C54 | C55 | 123.8° | 154.7° |
| H81 | C53 | C54 | N15 | 175.8° | 145.0° |
| H81 | C53 | C54 | C55 | 4.8° | 34.6° |
| C54 | N15 | C56 | H82 | 180.0° | 180.0° |
| N15 | C54 | C55 | N16 | 0.1° | 0.3° |
| N15 | C54 | C55 | H83 | 179.9° | 179.8° |
| C54 | N15 | C56 | N16 | 0.5° | 0.2° |
| C54 | N15 | C56 | H84 | 179.5° | 180.0° |
| C55 | C54 | N15 | C56 | 0.2° | 0.3° |
| C55 | C54 | N15 | H82 | 179.8° | 179.7° |
| C54 | C55 | N16 | H83 | 180.0° | 179.9° |
| C54 | C55 | N16 | C56 | 0.4° | 0.2° |
| C54 | C55 | N16 | H85 | 179.6° | 180.0° |
| N15 | C56 | N16 | C55 | 0.5° | 0.0° |
| N15 | C56 | N16 | H84 | 180.0° | 179.8° |
| N15 | C56 | N16 | H85 | 179.5° | 179.8° |
| H82 | N15 | C56 | N16 | 179.5° | 179.8° |
| H82 | N15 | C56 | H84 | 0.5° | 0.0° |
| C55 | N16 | C56 | H85 | 180.0° | 179.8° |
| C55 | N16 | C56 | H84 | 179.5° | 179.8° |
| H83 | C55 | N16 | C56 | 179.6° | 179.9° |
| H83 | C55 | N16 | H85 | 0.4° | 0.1° |
| H84 | C56 | N16 | H85 | 0.5° | 0.0° |
| C57 | N17 | H86 | C52 | 180.0° | 180.0° |
| N17 | C57 | C58 | H87 | 118.9° | 120.1° |
| N17 | C57 | C58 | C70 | 125.9° | 119.7° |
| N17 | C57 | H87 | C70 | 121.8° | 119.8° |
| N17 | C57 | C58 | O13 | 77.5° | 93.0° |
| N17 | C57 | C70 | N25 | 38.3° | 158.6° |
| N17 | C57 | C70 | H101 | 158.8° | 38.5° |
| N17 | C57 | C70 | H102 | 82.2° | 81.3° |
| N17 | C57 | C58 | N18 | 105.1° | 87.0° |
| H86 | N17 | C57 | C58 | 49.8° | 178.3° |
| H86 | N17 | C57 | H87 | 168.2° | 61.5° |
| H86 | N17 | C57 | C70 | 73.5° | 58.4° |
| C58 | C57 | H87 | C70 | 115.6° | 120.1° |
| C57 | C58 | O13 | N18 | 177.2° | 179.9° |
| C57 | C58 | N18 | C59 | 162.7° | 175.1° |
| C57 | C58 | N18 | H88 | 17.4° | 5.0° |
| C58 | C57 | C70 | N25 | 164.6° | 81.4° |
| C58 | C57 | C70 | H101 | 74.8° | 158.4° |
| C58 | C57 | C70 | H102 | 44.1° | 38.7° |
| C58 | C57 | N17 | C52 | 130.2° | 1.6° |
| H87 | C57 | C58 | O13 | 163.6° | 146.9° |
| H87 | C57 | C70 | N25 | 80.4° | 38.7° |
| H87 | C57 | C70 | H101 | 40.1° | 81.5° |
| H87 | C57 | C70 | H102 | 159.1° | 158.8° |
| H87 | C57 | N17 | C52 | 11.8° | 118.5° |
| H87 | C57 | C58 | N18 | 13.8° | 33.2° |
| O13 | C58 | N18 | C59 | 14.7° | 4.9° |
| O13 | C58 | N18 | H88 | 165.3° | 175.1° |
| O13 | C58 | C57 | C70 | 48.4° | 26.8° |
| C59 | N18 | H88 | C58 | 180.0° | 179.9° |
| N18 | C59 | C60 | H89 | 120.9° | 120.0° |
| N18 | C59 | C60 | H90 | 120.9° | 120.0° |
| N18 | C59 | H89 | H90 | 117.2° | 120.0° |
| N18 | C59 | C60 | O14 | 57.6° | 5.0° |
| N18 | C59 | C60 | N19 | 125.8° | 175.0° |
| H88 | N18 | C59 | C60 | 101.2° | 5.1° |
| H88 | N18 | C59 | H89 | 19.7° | 114.9° |
| H88 | N18 | C59 | H90 | 137.9° | 125.1° |
| C60 | C59 | H89 | H90 | 117.2° | 119.9° |
| C59 | C60 | O14 | N19 | 176.3° | 180.0° |
| C59 | C60 | N19 | C61 | 147.3° | 175.0° |
| C59 | C60 | N19 | H91 | 32.8° | 5.0° |
| C60 | C59 | N18 | C58 | 78.7° | 175.0° |
| H89 | C59 | C60 | O14 | 178.5° | 125.0° |
| H89 | C59 | N18 | C58 | 160.4° | 65.0° |
| H89 | C59 | C60 | N19 | 4.9° | 54.9° |
| H90 | C59 | C60 | O14 | 63.3° | 115.0° |
| H90 | C59 | N18 | C58 | 42.1° | 55.0° |
| H90 | C59 | C60 | N19 | 113.3° | 65.0° |
| O14 | C60 | N19 | C61 | 29.3° | 5.0° |
| O14 | C60 | N19 | H91 | 150.7° | 175.0° |
| C61 | N19 | H91 | C60 | 180.0° | 180.0° |
| N19 | C61 | C62 | H92 | 120.4° | 120.1° |
| N19 | C61 | C62 | H93 | 120.5° | 119.9° |
| N19 | C61 | H92 | H93 | 118.6° | 120.0° |
| N19 | C61 | C62 | O15 | 92.7° | 5.1° |
| N19 | C61 | C62 | N20 | 85.3° | 175.0° |
| H91 | N19 | C61 | C62 | 102.3° | 5.0° |
| H91 | N19 | C61 | H92 | 137.3° | 115.0° |
| H91 | N19 | C61 | H93 | 18.1° | 125.0° |
| C62 | C61 | H92 | H93 | 118.6° | 120.0° |
| C61 | C62 | O15 | N20 | 177.9° | 179.9° |
| C61 | C62 | N20 | H94 | 178.0° | 0.0° |
| C61 | C62 | N20 | H95 | 2.0° | 180.0° |
| C62 | C61 | N19 | C60 | 77.7° | 175.0° |
| H92 | C61 | C62 | O15 | 27.7° | 125.1° |
| H92 | C61 | N19 | C60 | 42.7° | 65.0° |
| H92 | C61 | C62 | N20 | 154.2° | 55.0° |
| H93 | C61 | C62 | O15 | 146.8° | 114.9° |
| H93 | C61 | N19 | C60 | 161.8° | 55.0° |
| H93 | C61 | C62 | N20 | 35.1° | 65.1° |
| O15 | C62 | N20 | H94 | 0.0° | 179.9° |
| O15 | C62 | N20 | H95 | 180.0° | 0.1° |
| H94 | N20 | H95 | C62 | 180.0° | 180.0° |
| C70 | N25 | N22 | C69 | 179.1° | 178.8° |
| C70 | N25 | N22 | N26 | 179.4° | 176.7° |
| C70 | N25 | C69 | C68 | 179.2° | 175.9° |
| C70 | N25 | C69 | H100 | 0.8° | 4.2° |
| N25 | C70 | H101 | H102 | 118.3° | 119.8° |
| N25 | C70 | H101 | C57 | 123.4° | 120.4° |
| N25 | C70 | H102 | C57 | 123.4° | 120.4° |
| N25 | N22 | N26 | C68 | 0.2° | 0.5° |
| N22 | N25 | C69 | C68 | 0.2° | 2.8° |
| N22 | N25 | C69 | H100 | 179.8° | 177.1° |
| N22 | N25 | C70 | H101 | 146.8° | 32.4° |
| N22 | N25 | C70 | H102 | 27.9° | 152.2° |
| N22 | N25 | C70 | C57 | 92.7° | 87.7° |
| N26 | N22 | N25 | C69 | 0.3° | 2.1° |
| N22 | N26 | C68 | C69 | 0.1° | 1.3° |
| N22 | N26 | C68 | C67 | 179.7° | 179.5° |
| N25 | C69 | C68 | N26 | 0.1° | 2.5° |
| N25 | C69 | C68 | H100 | 180.0° | 179.9° |
| N25 | C69 | C68 | C67 | 179.9° | 178.4° |
| C69 | N25 | C70 | H101 | 32.1° | 146.1° |
| C69 | N25 | C70 | H102 | 151.0° | 26.3° |
| C69 | N25 | C70 | C57 | 88.4° | 93.7° |
| N26 | C68 | C69 | C67 | 179.8° | 179.2° |
| N26 | C68 | C67 | C66 | 171.9° | 11.7° |
| N26 | C68 | C67 | C72 | 6.2° | 167.8° |
| N26 | C68 | C69 | H100 | 179.9° | 177.4° |
| C69 | C68 | C67 | C66 | 7.9° | 169.3° |
| C69 | C68 | C67 | C72 | 174.0° | 11.2° |
| C68 | C67 | C66 | C72 | 178.1° | 179.5° |
| C68 | C67 | C66 | C71 | 177.4° | 179.9° |
| C68 | C67 | C72 | C65 | 176.7° | 179.1° |
| C68 | C67 | C66 | H99 | 2.6° | 0.1° |
| C67 | C68 | C69 | H100 | 0.1° | 1.8° |
| C68 | C67 | C72 | H104 | 3.3° | 0.8° |
| O17 | C75 | C71 | C66 | 177.3° | 0.1° |
| O17 | C75 | C71 | O16 | 179.0° | 179.9° |
| O17 | C75 | C71 | C73 | 4.0° | 179.9° |
| O17 | C75 | O16 | H103 | 0.0° | 0.1° |
| C67 | C66 | C71 | H99 | 180.0° | 180.0° |
| C67 | C66 | C71 | C75 | 178.6° | 179.3° |
| C67 | C66 | C71 | C73 | 0.1° | 0.6° |
| C66 | C67 | C72 | C65 | 1.4° | 0.4° |
| C66 | C67 | C72 | H104 | 178.7° | 179.7° |
| C71 | C66 | C67 | C72 | 0.7° | 0.6° |
| C66 | C71 | C75 | C73 | 178.7° | 179.9° |
| C66 | C71 | C75 | O16 | 1.7° | 180.0° |
| C66 | C71 | C73 | C65 | 0.1° | 0.3° |
| C66 | C71 | C73 | H105 | 179.8° | 179.7° |
| C67 | C72 | C65 | H104 | 180.0° | 180.0° |
| C67 | C72 | C65 | C73 | 1.3° | 1.2° |
| C67 | C72 | C65 | C74 | 175.9° | 179.2° |
| C72 | C67 | C66 | H99 | 179.4° | 179.4° |
| C75 | C71 | C73 | C65 | 178.5° | 179.8° |
| C75 | C71 | C66 | H99 | 1.4° | 0.7° |
| C71 | C75 | O16 | H103 | 179.0° | 180.0° |
| C75 | C71 | C73 | H105 | 1.5° | 0.2° |
| O16 | C75 | C71 | C73 | 177.0° | 0.1° |
| C71 | C73 | C65 | C72 | 0.6° | 1.2° |
| C71 | C73 | C65 | H105 | 180.0° | 180.0° |
| C71 | C73 | C65 | C74 | 176.6° | 179.2° |
| C73 | C71 | C66 | H99 | 179.9° | 179.4° |
| C72 | C65 | C73 | C74 | 177.2° | 179.6° |
| C72 | C65 | C74 | N21 | 177.6° | 176.5° |
| C72 | C65 | C74 | C64 | 0.3° | 3.0° |
| C72 | C65 | C73 | H105 | 179.5° | 178.8° |
| C73 | C65 | C74 | N21 | 0.4° | 3.9° |
| C73 | C65 | C74 | C64 | 176.9° | 176.5° |
| C73 | C65 | C72 | H104 | 178.7° | 178.8° |
| C65 | C74 | N21 | C64 | 177.9° | 179.6° |
| C65 | C74 | N21 | N24 | 177.3° | 179.1° |
| C65 | C74 | C64 | N23 | 177.5° | 177.8° |
| C65 | C74 | C64 | H98 | 2.5° | 2.2° |
| C74 | C65 | C72 | H104 | 4.1° | 0.7° |
| C74 | C65 | C73 | H105 | 3.4° | 0.8° |
| N21 | C74 | C64 | N23 | 0.1° | 2.6° |
| C74 | N21 | N24 | N23 | 0.7° | 0.6° |
| N21 | C74 | C64 | H98 | 179.9° | 177.4° |
| C64 | C74 | N21 | N24 | 0.5° | 1.3° |
| C74 | C64 | N23 | H98 | 180.0° | 180.0° |
| C74 | C64 | N23 | N24 | 0.3° | 3.0° |
| C74 | C64 | N23 | C63 | 176.2° | 174.9° |
| N21 | N24 | N23 | C64 | 0.7° | 2.3° |
| N21 | N24 | N23 | C63 | 176.2° | 175.7° |
| C64 | N23 | N24 | C63 | 176.9° | 178.0° |
| C64 | N23 | C63 | H96 | 4.6° | 73.0° |
| C64 | N23 | C63 | H97 | 124.8° | 168.2° |
| C64 | N23 | C63 | C5 | 115.3° | 47.6° |
| N24 | N23 | C63 | H96 | 179.2° | 104.6° |
| N24 | N23 | C63 | H97 | 58.9° | 14.2° |
| N24 | N23 | C64 | H98 | 179.6° | 177.0° |
| N24 | N23 | C63 | C5 | 61.0° | 134.8° |
| N23 | C63 | H96 | H97 | 120.3° | 118.7° |
| N23 | C63 | H96 | C5 | 119.4° | 122.4° |
| N23 | C63 | H97 | C5 | 119.4° | 122.5° |
| C63 | N23 | C64 | H98 | 3.8° | 5.1° |
| H96 | C63 | H97 | C5 | 120.3° | 118.8° |
| H101 | C70 | H102 | C57 | 118.3° | 119.8° |
| C4 | N2 | C5 | C63 | 117.9° | 63.5° |
| N3 | C6 | C5 | C63 | 127.3° | 138.0° |
| C52 | N17 | C57 | C70 | 106.5° | 121.5° |
| N18 | C58 | C57 | C70 | 129.0° | 153.3° |
