PRD_002362
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.48Å | 1.47Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | O3 | sing | 1.36Å | 1.40Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N2 | C12 | sing | 1.48Å | 1.46Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N3 | C21 | sing | 1.48Å | 1.46Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | O5 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.25Å | |
| C25 | O7 | sing | 1.34Å | 1.26Å | |
| O7 | H27 | sing | 0.97Å | 0.95Å | |
| N4 | C26 | sing | 1.48Å | 1.45Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.24Å | |
| C28 | O9 | sing | 1.43Å | 1.43Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| N5 | C29 | sing | 1.48Å | 1.46Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | O10 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.48Å | 1.47Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | O11 | doub | 1.21Å | 1.24Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C36 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C38 | H46 | sing | 1.08Å | 1.08Å | |
| C39 | C41 | doub | 1.38Å | 1.37Å | Aromatic |
| C39 | H47 | sing | 1.08Å | 1.08Å | |
| C40 | C42 | doub | 1.39Å | 1.37Å | Aromatic |
| C40 | H48 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | H49 | sing | 1.08Å | 1.08Å | |
| C42 | O12 | sing | 1.36Å | 1.36Å | |
| O12 | H50 | sing | 0.97Å | 0.95Å | |
| N7 | C43 | sing | 1.48Å | 1.45Å | |
| N7 | H51 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H52 | sing | 1.09Å | 1.10Å | |
| C44 | O13 | doub | 1.21Å | 1.24Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C45 | H55 | sing | 1.09Å | 1.10Å | |
| N8 | C46 | sing | 1.48Å | 1.47Å | |
| N8 | H56 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | O14 | doub | 1.21Å | 1.24Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.52Å | |
| C48 | H58 | sing | 1.09Å | 1.10Å | |
| C49 | C51 | sing | 1.53Å | 1.42Å | |
| C49 | H59 | sing | 1.09Å | 1.10Å | |
| C49 | H60 | sing | 1.09Å | 1.10Å | |
| C50 | H61 | sing | 1.09Å | 1.10Å | |
| C50 | H62 | sing | 1.09Å | 1.10Å | |
| C50 | H63 | sing | 1.09Å | 1.10Å | |
| C51 | H64 | sing | 1.09Å | 1.10Å | |
| C51 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | H66 | sing | 1.09Å | 1.10Å | |
| N9 | C52 | sing | 1.48Å | 1.47Å | |
| N9 | H67 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.52Å | |
| C52 | C54 | sing | 1.53Å | 1.51Å | |
| C52 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | O15 | doub | 1.21Å | 1.25Å | |
| C54 | C55 | sing | 1.51Å | 1.48Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | doub | 1.34Å | 1.38Å | Aromatic |
| C55 | C57 | sing | 1.46Å | 1.43Å | Aromatic |
| C56 | N10 | sing | 1.37Å | 1.37Å | Aromatic |
| C56 | H71 | sing | 1.08Å | 1.08Å | |
| C57 | C58 | doub | 1.41Å | 1.42Å | Aromatic |
| C57 | C59 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C58 | sing | 1.38Å | 1.36Å | Aromatic |
| N10 | H72 | sing | 0.97Å | 1.00Å | |
| C58 | C60 | sing | 1.39Å | 1.39Å | Aromatic |
| C59 | C61 | doub | 1.37Å | 1.39Å | Aromatic |
| C59 | H73 | sing | 1.08Å | 1.08Å | |
| C60 | C62 | doub | 1.38Å | 1.37Å | Aromatic |
| C60 | H74 | sing | 1.08Å | 1.08Å | |
| C61 | C62 | sing | 1.39Å | 1.41Å | Aromatic |
| C61 | H75 | sing | 1.08Å | 1.08Å | |
| C62 | H76 | sing | 1.08Å | 1.08Å | |
| N11 | C63 | sing | 1.48Å | 1.45Å | |
| N11 | H77 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.51Å | |
| C63 | H78 | sing | 1.09Å | 1.10Å | |
| C63 | H79 | sing | 1.09Å | 1.10Å | |
| C64 | O16 | doub | 1.21Å | 1.23Å | |
| N12 | C65 | sing | 1.48Å | 1.46Å | |
| N12 | H80 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.51Å | 1.53Å | |
| C65 | C67 | sing | 1.53Å | 1.51Å | |
| C65 | H81 | sing | 1.09Å | 1.10Å | |
| C66 | O17 | doub | 1.21Å | 1.23Å | |
| C67 | O18 | sing | 1.43Å | 1.41Å | |
| C67 | C68 | sing | 1.53Å | 1.60Å | |
| C67 | H82 | sing | 1.09Å | 1.10Å | |
| O18 | H83 | sing | 0.97Å | 0.95Å | |
| C68 | H84 | sing | 1.09Å | 1.10Å | |
| C68 | H85 | sing | 1.09Å | 1.10Å | |
| C68 | H86 | sing | 1.09Å | 1.10Å | |
| N13 | C69 | sing | 1.48Å | 1.47Å | |
| N13 | H87 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 1.52Å | |
| C69 | C71 | sing | 1.53Å | 1.53Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C70 | O19 | doub | 1.21Å | 1.25Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | H89 | sing | 1.09Å | 1.10Å | |
| C71 | H90 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C72 | C74 | sing | 1.53Å | 1.53Å | |
| C72 | H91 | sing | 1.09Å | 1.10Å | |
| C73 | H92 | sing | 1.09Å | 1.10Å | |
| C73 | H93 | sing | 1.09Å | 1.10Å | |
| C73 | H94 | sing | 1.09Å | 1.10Å | |
| C74 | H95 | sing | 1.09Å | 1.10Å | |
| C74 | H96 | sing | 1.09Å | 1.10Å | |
| C74 | H97 | sing | 1.09Å | 1.10Å | |
| N14 | C75 | sing | 1.48Å | 1.45Å | |
| N14 | H98 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.51Å | 1.52Å | |
| C75 | C77 | sing | 1.53Å | 1.53Å | |
| C75 | H99 | sing | 1.09Å | 1.10Å | |
| C76 | O20 | doub | 1.21Å | 1.24Å | |
| C77 | S1 | sing | 1.82Å | 1.82Å | |
| C77 | H100 | sing | 1.09Å | 1.10Å | |
| C77 | H101 | sing | 1.09Å | 1.10Å | |
| N15 | C78 | sing | 1.47Å | 1.45Å | |
| N15 | H102 | sing | 0.97Å | 1.00Å | |
| C78 | C79 | sing | 1.51Å | 1.51Å | |
| C78 | H103 | sing | 1.09Å | 1.10Å | |
| C78 | H104 | sing | 1.09Å | 1.10Å | |
| C79 | O21 | doub | 1.21Å | 1.23Å | |
| N16 | H105 | sing | 0.97Å | 1.00Å | |
| N16 | H106 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.36Å | 1.36Å | |
| C2 | S1 | sing | 1.81Å | 1.84Å | |
| C4 | N2 | sing | 1.36Å | 1.33Å | |
| C13 | N3 | sing | 1.36Å | 1.33Å | |
| C22 | N4 | sing | 1.36Å | 1.31Å | |
| C27 | N5 | sing | 1.36Å | 1.34Å | |
| C30 | N6 | sing | 1.36Å | 1.34Å | |
| C35 | N7 | sing | 1.36Å | 1.33Å | |
| C44 | N8 | sing | 1.36Å | 1.32Å | |
| C47 | N9 | sing | 1.36Å | 1.36Å | |
| C53 | N11 | sing | 1.36Å | 1.34Å | |
| C64 | N12 | sing | 1.36Å | 1.33Å | |
| C66 | N13 | sing | 1.36Å | 1.34Å | |
| C70 | N14 | sing | 1.36Å | 1.34Å | |
| C76 | N15 | sing | 1.35Å | 1.33Å | |
| C79 | N16 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.6° | 120.4° |
| O1 | C1 | N1 | 121.2° | 120.5° |
| C1 | C2 | H1 | 108.6° | 109.4° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C2 | C1 | N1 | 118.2° | 119.1° |
| C1 | C2 | S1 | 113.2° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | S1 | 108.6° | 109.5° |
| H2 | C2 | S1 | 108.5° | 109.5° |
| C3 | N1 | H3 | 120.5° | 121.6° |
| N1 | C3 | C4 | 108.9° | 108.9° |
| N1 | C3 | C5 | 112.4° | 109.6° |
| N1 | C3 | H4 | 109.3° | 109.6° |
| C3 | N1 | C1 | 119.0° | 116.8° |
| H3 | N1 | C1 | 120.5° | 121.6° |
| C4 | C3 | C5 | 109.1° | 109.5° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C3 | C4 | O2 | 120.3° | 120.5° |
| C3 | C4 | N2 | 117.2° | 118.9° |
| C5 | C3 | H4 | 108.3° | 109.7° |
| C3 | C5 | C6 | 113.6° | 109.4° |
| C3 | C5 | H5 | 108.4° | 109.5° |
| C3 | C5 | H6 | 108.4° | 109.5° |
| O2 | C4 | N2 | 122.5° | 120.5° |
| C6 | C5 | H5 | 108.4° | 109.4° |
| C6 | C5 | H6 | 108.4° | 109.5° |
| C5 | C6 | C7 | 119.7° | 119.9° |
| C5 | C6 | C8 | 122.2° | 119.9° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| C7 | C6 | C8 | 118.1° | 120.1° |
| C6 | C7 | C9 | 121.1° | 120.0° |
| C6 | C7 | H7 | 119.4° | 120.0° |
| C6 | C8 | C10 | 121.1° | 120.1° |
| C6 | C8 | H8 | 119.5° | 120.0° |
| C9 | C7 | H7 | 119.5° | 120.0° |
| C7 | C9 | C11 | 119.9° | 119.9° |
| C7 | C9 | H9 | 120.1° | 120.0° |
| C10 | C8 | H8 | 119.4° | 119.9° |
| C8 | C10 | C11 | 119.4° | 119.9° |
| C8 | C10 | H10 | 120.3° | 120.0° |
| C11 | C9 | H9 | 120.0° | 120.1° |
| C9 | C11 | C10 | 120.3° | 119.9° |
| C9 | C11 | O3 | 116.1° | 120.1° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C10 | C11 | O3 | 123.6° | 120.0° |
| C11 | O3 | H11 | 109.5° | 113.9° |
| C12 | N2 | H12 | 119.7° | 122.0° |
| N2 | C12 | C13 | 107.1° | 108.7° |
| N2 | C12 | C14 | 110.2° | 109.6° |
| N2 | C12 | H13 | 110.0° | 109.6° |
| C12 | N2 | C4 | 120.6° | 116.1° |
| H12 | N2 | C4 | 119.7° | 121.9° |
| C13 | C12 | C14 | 111.8° | 109.6° |
| C13 | C12 | H13 | 109.0° | 109.6° |
| C12 | C13 | O4 | 119.9° | 120.4° |
| C12 | C13 | N3 | 116.1° | 119.2° |
| C14 | C12 | H13 | 108.7° | 109.8° |
| C12 | C14 | C15 | 113.9° | 109.5° |
| C12 | C14 | H14 | 108.4° | 109.5° |
| C12 | C14 | H15 | 108.3° | 109.5° |
| O4 | C13 | N3 | 123.9° | 120.4° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C15 | C14 | H15 | 108.3° | 109.4° |
| C14 | C15 | C16 | 121.5° | 120.0° |
| C14 | C15 | C17 | 120.7° | 120.0° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| C16 | C15 | C17 | 117.8° | 120.0° |
| C15 | C16 | C18 | 121.1° | 120.0° |
| C15 | C16 | H16 | 119.5° | 120.0° |
| C15 | C17 | C19 | 120.8° | 120.0° |
| C15 | C17 | H17 | 119.6° | 120.0° |
| C18 | C16 | H16 | 119.5° | 119.9° |
| C16 | C18 | C20 | 121.1° | 119.9° |
| C16 | C18 | H18 | 119.4° | 120.0° |
| C19 | C17 | H17 | 119.7° | 120.0° |
| C17 | C19 | C20 | 120.8° | 120.0° |
| C17 | C19 | H19 | 119.6° | 120.0° |
| C20 | C18 | H18 | 119.4° | 120.0° |
| C18 | C20 | C19 | 118.4° | 120.0° |
| C18 | C20 | H20 | 120.8° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C19 | C20 | H20 | 120.8° | 120.0° |
| C21 | N3 | H21 | 118.7° | 121.6° |
| N3 | C21 | C22 | 108.8° | 108.9° |
| N3 | C21 | C23 | 109.5° | 109.5° |
| N3 | C21 | H22 | 109.3° | 109.6° |
| C21 | N3 | C13 | 122.5° | 116.8° |
| H21 | N3 | C13 | 118.7° | 121.6° |
| C22 | C21 | C23 | 112.2° | 109.5° |
| C22 | C21 | H22 | 108.5° | 109.5° |
| C21 | C22 | O5 | 121.0° | 120.5° |
| C21 | C22 | N4 | 115.3° | 119.0° |
| C23 | C21 | H22 | 108.5° | 109.7° |
| C21 | C23 | C24 | 113.5° | 109.5° |
| C21 | C23 | H23 | 108.4° | 109.5° |
| C21 | C23 | H24 | 108.5° | 109.5° |
| O5 | C22 | N4 | 123.6° | 120.5° |
| C24 | C23 | H23 | 108.5° | 109.4° |
| C24 | C23 | H24 | 108.4° | 109.5° |
| C23 | C24 | C25 | 112.7° | 109.5° |
| C23 | C24 | H25 | 108.7° | 109.5° |
| C23 | C24 | H26 | 108.7° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| C25 | C24 | H25 | 108.7° | 109.4° |
| C25 | C24 | H26 | 108.6° | 109.5° |
| C24 | C25 | O6 | 117.4° | 120.0° |
| C24 | C25 | O7 | 119.3° | 120.0° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| O6 | C25 | O7 | 123.2° | 120.0° |
| C25 | O7 | H27 | 109.4° | 117.0° |
| C26 | N4 | H28 | 116.7° | 122.0° |
| N4 | C26 | C27 | 106.1° | 108.7° |
| N4 | C26 | C28 | 108.7° | 109.6° |
| N4 | C26 | H29 | 110.8° | 109.6° |
| C26 | N4 | C22 | 126.7° | 116.1° |
| H28 | N4 | C22 | 116.7° | 122.0° |
| C27 | C26 | C28 | 111.8° | 109.6° |
| C27 | C26 | H29 | 109.9° | 109.6° |
| C26 | C27 | O8 | 119.6° | 120.4° |
| C26 | C27 | N5 | 118.2° | 119.1° |
| C28 | C26 | H29 | 109.5° | 109.7° |
| C26 | C28 | O9 | 115.6° | 109.5° |
| C26 | C28 | H30 | 107.9° | 109.5° |
| C26 | C28 | H31 | 107.9° | 109.5° |
| O8 | C27 | N5 | 122.1° | 120.4° |
| O9 | C28 | H30 | 107.9° | 109.4° |
| O9 | C28 | H31 | 107.9° | 109.5° |
| C28 | O9 | H32 | 109.5° | 114.0° |
| H30 | C28 | H31 | 109.5° | 109.4° |
| C29 | N5 | H33 | 120.7° | 121.6° |
| N5 | C29 | C30 | 111.4° | 108.9° |
| N5 | C29 | C31 | 114.7° | 109.6° |
| N5 | C29 | H34 | 107.5° | 109.6° |
| C29 | N5 | C27 | 118.6° | 116.8° |
| H33 | N5 | C27 | 120.7° | 121.6° |
| C30 | C29 | C31 | 109.5° | 109.6° |
| C30 | C29 | H34 | 106.8° | 109.6° |
| C29 | C30 | O10 | 118.7° | 120.5° |
| C29 | C30 | N6 | 119.0° | 119.0° |
| C31 | C29 | H34 | 106.5° | 109.7° |
| C29 | C31 | C32 | 112.6° | 109.5° |
| C29 | C31 | C33 | 110.8° | 109.5° |
| C29 | C31 | H35 | 107.1° | 109.5° |
| O10 | C30 | N6 | 122.1° | 120.5° |
| C32 | C31 | C33 | 111.6° | 109.5° |
| C32 | C31 | H35 | 107.3° | 109.4° |
| C31 | C32 | H36 | 109.5° | 109.5° |
| C31 | C32 | H37 | 109.4° | 109.4° |
| C31 | C32 | H38 | 109.5° | 109.5° |
| C33 | C31 | H35 | 107.1° | 109.5° |
| C31 | C33 | H39 | 109.5° | 109.5° |
| C31 | C33 | H40 | 109.5° | 109.5° |
| C31 | C33 | H41 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.4° | 109.5° |
| H36 | C32 | H38 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.5° |
| H39 | C33 | H40 | 109.4° | 109.5° |
| H39 | C33 | H41 | 109.5° | 109.5° |
| H40 | C33 | H41 | 109.5° | 109.4° |
| C34 | N6 | H42 | 118.2° | 121.9° |
| N6 | C34 | C35 | 113.4° | 108.8° |
| N6 | C34 | C36 | 108.9° | 109.6° |
| N6 | C34 | H43 | 108.4° | 109.6° |
| C34 | N6 | C30 | 123.5° | 116.1° |
| H42 | N6 | C30 | 118.3° | 122.0° |
| C35 | C34 | C36 | 110.6° | 109.5° |
| C35 | C34 | H43 | 107.8° | 109.6° |
| C34 | C35 | O11 | 120.4° | 120.4° |
| C34 | C35 | N7 | 117.4° | 119.2° |
| C36 | C34 | H43 | 107.5° | 109.7° |
| C34 | C36 | C37 | 110.1° | 109.4° |
| C34 | C36 | H44 | 109.3° | 109.5° |
| C34 | C36 | H45 | 109.3° | 109.5° |
| O11 | C35 | N7 | 122.1° | 120.4° |
| C37 | C36 | H44 | 109.3° | 109.5° |
| C37 | C36 | H45 | 109.3° | 109.4° |
| C36 | C37 | C38 | 120.3° | 119.9° |
| C36 | C37 | C39 | 121.4° | 120.0° |
| H44 | C36 | H45 | 109.5° | 109.5° |
| C38 | C37 | C39 | 118.2° | 120.1° |
| C37 | C38 | C40 | 121.2° | 120.1° |
| C37 | C38 | H46 | 119.4° | 120.0° |
| C37 | C39 | C41 | 121.1° | 120.1° |
| C37 | C39 | H47 | 119.5° | 119.9° |
| C40 | C38 | H46 | 119.5° | 120.0° |
| C38 | C40 | C42 | 119.5° | 119.9° |
| C38 | C40 | H48 | 120.2° | 120.0° |
| C41 | C39 | H47 | 119.4° | 120.0° |
| C39 | C41 | C42 | 119.3° | 119.9° |
| C39 | C41 | H49 | 120.4° | 120.1° |
| C42 | C40 | H48 | 120.3° | 120.0° |
| C40 | C42 | C41 | 120.7° | 119.9° |
| C40 | C42 | O12 | 118.8° | 120.0° |
| C42 | C41 | H49 | 120.3° | 120.0° |
| C41 | C42 | O12 | 120.5° | 120.1° |
| C42 | O12 | H50 | 109.6° | 114.0° |
| C43 | N7 | H51 | 118.9° | 121.6° |
| N7 | C43 | C44 | 109.4° | 108.9° |
| N7 | C43 | C45 | 110.6° | 109.6° |
| N7 | C43 | H52 | 109.5° | 109.6° |
| C43 | N7 | C35 | 122.1° | 116.8° |
| H51 | N7 | C35 | 119.0° | 121.6° |
| C44 | C43 | C45 | 110.4° | 109.6° |
| C44 | C43 | H52 | 108.5° | 109.6° |
| C43 | C44 | O13 | 121.5° | 120.5° |
| C43 | C44 | N8 | 115.6° | 119.0° |
| C45 | C43 | H52 | 108.4° | 109.6° |
| C43 | C45 | H53 | 109.5° | 109.5° |
| C43 | C45 | H54 | 109.5° | 109.5° |
| C43 | C45 | H55 | 109.5° | 109.5° |
| O13 | C44 | N8 | 122.9° | 120.6° |
| H53 | C45 | H54 | 109.5° | 109.4° |
| H53 | C45 | H55 | 109.4° | 109.5° |
| H54 | C45 | H55 | 109.5° | 109.5° |
| C46 | N8 | H56 | 120.3° | 122.0° |
| N8 | C46 | C47 | 107.2° | 108.7° |
| N8 | C46 | C48 | 108.8° | 109.6° |
| N8 | C46 | H57 | 110.6° | 109.5° |
| C46 | N8 | C44 | 119.4° | 116.0° |
| H56 | N8 | C44 | 120.2° | 122.0° |
| C47 | C46 | C48 | 110.6° | 109.6° |
| C47 | C46 | H57 | 110.0° | 109.6° |
| C46 | C47 | O14 | 119.6° | 120.4° |
| C46 | C47 | N9 | 117.1° | 119.2° |
| C48 | C46 | H57 | 109.7° | 109.8° |
| C46 | C48 | C49 | 110.5° | 109.4° |
| C46 | C48 | C50 | 110.1° | 109.5° |
| C46 | C48 | H58 | 108.4° | 109.5° |
| O14 | C47 | N9 | 122.9° | 120.4° |
| C49 | C48 | C50 | 110.8° | 109.5° |
| C49 | C48 | H58 | 108.5° | 109.5° |
| C48 | C49 | C51 | 111.3° | 109.5° |
| C48 | C49 | H59 | 109.0° | 109.4° |
| C48 | C49 | H60 | 109.1° | 109.4° |
| C50 | C48 | H58 | 108.5° | 109.5° |
| C48 | C50 | H61 | 109.5° | 109.5° |
| C48 | C50 | H62 | 109.5° | 109.5° |
| C48 | C50 | H63 | 109.4° | 109.5° |
| C51 | C49 | H59 | 109.0° | 109.5° |
| C51 | C49 | H60 | 109.0° | 109.5° |
| C49 | C51 | H64 | 109.5° | 109.5° |
| C49 | C51 | H65 | 109.5° | 109.5° |
| C49 | C51 | H66 | 109.5° | 109.5° |
| H59 | C49 | H60 | 109.5° | 109.5° |
| H61 | C50 | H62 | 109.4° | 109.4° |
| H61 | C50 | H63 | 109.5° | 109.5° |
| H62 | C50 | H63 | 109.5° | 109.4° |
| H64 | C51 | H65 | 109.4° | 109.5° |
| H64 | C51 | H66 | 109.5° | 109.5° |
| H65 | C51 | H66 | 109.5° | 109.5° |
| C52 | N9 | H67 | 120.4° | 121.6° |
| N9 | C52 | C53 | 110.6° | 108.9° |
| N9 | C52 | C54 | 110.1° | 109.5° |
| N9 | C52 | H68 | 109.4° | 109.5° |
| C52 | N9 | C47 | 119.0° | 116.8° |
| H67 | N9 | C47 | 120.6° | 121.6° |
| C53 | C52 | C54 | 109.2° | 109.6° |
| C53 | C52 | H68 | 108.7° | 109.6° |
| C52 | C53 | O15 | 120.4° | 120.5° |
| C52 | C53 | N11 | 115.3° | 119.0° |
| C54 | C52 | H68 | 108.9° | 109.6° |
| C52 | C54 | C55 | 111.0° | 109.4° |
| C52 | C54 | H69 | 109.1° | 109.4° |
| C52 | C54 | H70 | 109.2° | 109.5° |
| O15 | C53 | N11 | 124.3° | 120.5° |
| C55 | C54 | H69 | 109.1° | 109.5° |
| C55 | C54 | H70 | 109.1° | 109.5° |
| C54 | C55 | C56 | 126.7° | 126.5° |
| C54 | C55 | C57 | 126.8° | 126.5° |
| H69 | C54 | H70 | 109.5° | 109.5° |
| C56 | C55 | C57 | 106.2° | 107.0° |
| C55 | C56 | N10 | 109.5° | 109.9° |
| C55 | C56 | H71 | 125.3° | 125.1° |
| C55 | C57 | C58 | 107.2° | 106.0° |
| C55 | C57 | C59 | 133.6° | 134.1° |
| N10 | C56 | H71 | 125.2° | 125.0° |
| C56 | N10 | C58 | 109.5° | 109.9° |
| C56 | N10 | H72 | 125.2° | 125.0° |
| C58 | C57 | C59 | 119.2° | 119.9° |
| C57 | C58 | N10 | 107.5° | 107.2° |
| C57 | C58 | C60 | 122.1° | 119.3° |
| C57 | C59 | C61 | 118.9° | 119.8° |
| C57 | C59 | H73 | 120.5° | 120.1° |
| C58 | N10 | H72 | 125.2° | 125.1° |
| N10 | C58 | C60 | 130.4° | 133.5° |
| C58 | C60 | C62 | 117.4° | 119.8° |
| C58 | C60 | H74 | 121.3° | 120.1° |
| C61 | C59 | H73 | 120.5° | 120.1° |
| C59 | C61 | C62 | 120.3° | 120.6° |
| C59 | C61 | H75 | 119.9° | 119.8° |
| C62 | C60 | H74 | 121.3° | 120.1° |
| C60 | C62 | C61 | 122.0° | 120.6° |
| C60 | C62 | H76 | 119.0° | 119.7° |
| C62 | C61 | H75 | 119.8° | 119.7° |
| C61 | C62 | H76 | 119.0° | 119.7° |
| C63 | N11 | H77 | 118.0° | 122.0° |
| N11 | C63 | C64 | 112.7° | 108.8° |
| N11 | C63 | H78 | 108.7° | 109.6° |
| N11 | C63 | H79 | 108.6° | 109.6° |
| C63 | N11 | C53 | 124.0° | 116.1° |
| H77 | N11 | C53 | 118.0° | 121.9° |
| C64 | C63 | H78 | 108.7° | 109.6° |
| C64 | C63 | H79 | 108.7° | 109.5° |
| C63 | C64 | O16 | 119.3° | 120.4° |
| C63 | C64 | N12 | 117.9° | 119.1° |
| H78 | C63 | H79 | 109.4° | 109.7° |
| O16 | C64 | N12 | 122.7° | 120.5° |
| C65 | N12 | H80 | 120.1° | 121.6° |
| N12 | C65 | C66 | 113.9° | 108.8° |
| N12 | C65 | C67 | 110.3° | 109.5° |
| N12 | C65 | H81 | 108.3° | 109.6° |
| C65 | N12 | C64 | 119.8° | 116.8° |
| H80 | N12 | C64 | 120.1° | 121.5° |
| C66 | C65 | C67 | 109.0° | 109.5° |
| C66 | C65 | H81 | 107.4° | 109.6° |
| C65 | C66 | O17 | 117.6° | 120.5° |
| C65 | C66 | N13 | 119.7° | 119.0° |
| C67 | C65 | H81 | 107.6° | 109.7° |
| C65 | C67 | O18 | 110.6° | 109.5° |
| C65 | C67 | C68 | 107.7° | 109.5° |
| C65 | C67 | H82 | 109.4° | 109.4° |
| O17 | C66 | N13 | 122.6° | 120.5° |
| O18 | C67 | C68 | 110.1° | 109.5° |
| O18 | C67 | H82 | 110.8° | 109.5° |
| C67 | O18 | H83 | 109.5° | 114.0° |
| C68 | C67 | H82 | 108.2° | 109.5° |
| C67 | C68 | H84 | 109.5° | 109.5° |
| C67 | C68 | H85 | 109.4° | 109.5° |
| C67 | C68 | H86 | 109.4° | 109.4° |
| H84 | C68 | H85 | 109.5° | 109.5° |
| H84 | C68 | H86 | 109.5° | 109.4° |
| H85 | C68 | H86 | 109.5° | 109.5° |
| C69 | N13 | H87 | 119.3° | 122.0° |
| N13 | C69 | C70 | 112.3° | 108.7° |
| N13 | C69 | C71 | 110.1° | 109.6° |
| N13 | C69 | H88 | 108.6° | 109.6° |
| C69 | N13 | C66 | 121.6° | 116.1° |
| H87 | N13 | C66 | 119.1° | 121.9° |
| C70 | C69 | C71 | 109.8° | 109.6° |
| C70 | C69 | H88 | 108.0° | 109.6° |
| C69 | C70 | O19 | 119.8° | 120.5° |
| C69 | C70 | N14 | 117.2° | 119.1° |
| C71 | C69 | H88 | 107.9° | 109.7° |
| C69 | C71 | C72 | 116.0° | 109.5° |
| C69 | C71 | H89 | 107.9° | 109.4° |
| C69 | C71 | H90 | 107.9° | 109.5° |
| O19 | C70 | N14 | 123.0° | 120.4° |
| C72 | C71 | H89 | 107.8° | 109.5° |
| C72 | C71 | H90 | 107.8° | 109.5° |
| C71 | C72 | C73 | 110.8° | 109.5° |
| C71 | C72 | C74 | 113.3° | 109.5° |
| C71 | C72 | H91 | 106.3° | 109.5° |
| H89 | C71 | H90 | 109.4° | 109.5° |
| C73 | C72 | C74 | 113.0° | 109.4° |
| C73 | C72 | H91 | 106.5° | 109.4° |
| C72 | C73 | H92 | 109.5° | 109.5° |
| C72 | C73 | H93 | 109.5° | 109.5° |
| C72 | C73 | H94 | 109.5° | 109.4° |
| C74 | C72 | H91 | 106.4° | 109.5° |
| C72 | C74 | H95 | 109.5° | 109.5° |
| C72 | C74 | H96 | 109.4° | 109.5° |
| C72 | C74 | H97 | 109.5° | 109.4° |
| H92 | C73 | H93 | 109.5° | 109.5° |
| H92 | C73 | H94 | 109.5° | 109.4° |
| H93 | C73 | H94 | 109.4° | 109.5° |
| H95 | C74 | H96 | 109.5° | 109.5° |
| H95 | C74 | H97 | 109.5° | 109.5° |
| H96 | C74 | H97 | 109.5° | 109.5° |
| C75 | N14 | H98 | 118.0° | 121.6° |
| N14 | C75 | C76 | 112.7° | 109.5° |
| N14 | C75 | C77 | 109.5° | 108.9° |
| N14 | C75 | H99 | 108.9° | 109.6° |
| C75 | N14 | C70 | 124.1° | 116.8° |
| H98 | N14 | C70 | 118.0° | 121.6° |
| C76 | C75 | C77 | 109.9° | 109.6° |
| C76 | C75 | H99 | 107.9° | 109.6° |
| C75 | C76 | O20 | 119.7° | 120.0° |
| C75 | C76 | N15 | 117.0° | 120.0° |
| C77 | C75 | H99 | 107.8° | 109.7° |
| C75 | C77 | S1 | 111.9° | 109.7° |
| C75 | C77 | H100 | 108.8° | 109.5° |
| C75 | C77 | H101 | 108.9° | 109.5° |
| O20 | C76 | N15 | 123.3° | 120.0° |
| S1 | C77 | H100 | 108.8° | 109.2° |
| S1 | C77 | H101 | 108.9° | 109.4° |
| C77 | S1 | C2 | 110.6° | 102.6° |
| H100 | C77 | H101 | 109.4° | 109.4° |
| C78 | N15 | H102 | 118.6° | 120.0° |
| N15 | C78 | C79 | 114.3° | 109.5° |
| N15 | C78 | H103 | 108.3° | 109.5° |
| N15 | C78 | H104 | 108.2° | 109.5° |
| C78 | N15 | C76 | 122.9° | 120.0° |
| H102 | N15 | C76 | 118.5° | 120.0° |
| C79 | C78 | H103 | 108.3° | 109.5° |
| C79 | C78 | H104 | 108.2° | 109.5° |
| C78 | C79 | O21 | 120.2° | 120.0° |
| C78 | C79 | N16 | 116.6° | 119.9° |
| H103 | C78 | H104 | 109.5° | 109.5° |
| O21 | C79 | N16 | 123.2° | 120.0° |
| H105 | N16 | H106 | 120.0° | 120.0° |
| H105 | N16 | C79 | 120.0° | 120.1° |
| H106 | N16 | C79 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.8° | 179.8° |
| O1 | C1 | C2 | H1 | 170.5° | 151.1° |
| O1 | C1 | C2 | H2 | 70.6° | 88.9° |
| O1 | C1 | N1 | C3 | 0.2° | 0.0° |
| O1 | C1 | N1 | H3 | 179.8° | 180.0° |
| O1 | C1 | C2 | S1 | 49.9° | 31.1° |
| C1 | C2 | H1 | H2 | 118.3° | 120.0° |
| C1 | C2 | H1 | S1 | 123.4° | 120.0° |
| C1 | C2 | H2 | S1 | 123.4° | 120.0° |
| C2 | C1 | N1 | C3 | 179.0° | 179.8° |
| C2 | C1 | N1 | H3 | 0.9° | 0.2° |
| C1 | C2 | S1 | C77 | 81.6° | 148.3° |
| H1 | C2 | H2 | S1 | 118.3° | 120.0° |
| H1 | C2 | S1 | C77 | 39.0° | 91.8° |
| H1 | C2 | C1 | N1 | 8.3° | 28.8° |
| H2 | C2 | S1 | C77 | 157.9° | 28.2° |
| H2 | C2 | C1 | N1 | 110.6° | 91.3° |
| C3 | N1 | H3 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 123.0° | 119.8° |
| N1 | C3 | C4 | H4 | 119.1° | 119.8° |
| N1 | C3 | C5 | H4 | 120.9° | 120.3° |
| N1 | C3 | C4 | O2 | 74.6° | 21.9° |
| N1 | C3 | C5 | C6 | 167.5° | 65.0° |
| N1 | C3 | C5 | H5 | 71.9° | 175.0° |
| N1 | C3 | C5 | H6 | 46.9° | 55.0° |
| N1 | C3 | C4 | N2 | 105.6° | 158.2° |
| H3 | N1 | C3 | C4 | 99.2° | 12.5° |
| H3 | N1 | C3 | C5 | 21.9° | 107.4° |
| H3 | N1 | C3 | H4 | 142.2° | 132.3° |
| C4 | C3 | C5 | H4 | 118.2° | 120.3° |
| C3 | C4 | O2 | N2 | 179.8° | 179.9° |
| C4 | C3 | C5 | C6 | 71.5° | 175.5° |
| C4 | C3 | C5 | H5 | 49.1° | 55.6° |
| C4 | C3 | C5 | H6 | 167.9° | 64.5° |
| C3 | C4 | N2 | C12 | 178.4° | 180.0° |
| C3 | C4 | N2 | H12 | 1.6° | 0.1° |
| C4 | C3 | N1 | C1 | 80.8° | 167.6° |
| C5 | C3 | C4 | O2 | 48.4° | 98.0° |
| C3 | C5 | C6 | H5 | 120.6° | 120.0° |
| C3 | C5 | C6 | H6 | 120.6° | 120.0° |
| C3 | C5 | H5 | H6 | 118.1° | 120.1° |
| C3 | C5 | C6 | C7 | 70.1° | 90.0° |
| C3 | C5 | C6 | C8 | 110.6° | 90.3° |
| C5 | C3 | N1 | C1 | 158.1° | 72.6° |
| C5 | C3 | C4 | N2 | 131.4° | 81.9° |
| H4 | C3 | C4 | O2 | 166.3° | 141.7° |
| H4 | C3 | C5 | C6 | 46.7° | 55.3° |
| H4 | C3 | C5 | H5 | 167.3° | 64.7° |
| H4 | C3 | C5 | H6 | 74.0° | 175.3° |
| H4 | C3 | N1 | C1 | 37.8° | 47.7° |
| H4 | C3 | C4 | N2 | 13.4° | 38.4° |
| O2 | C4 | N2 | C12 | 1.4° | 0.0° |
| O2 | C4 | N2 | H12 | 178.6° | 180.0° |
| C6 | C5 | H5 | H6 | 118.1° | 120.0° |
| C5 | C6 | C7 | C8 | 179.4° | 179.7° |
| C5 | C6 | C7 | C9 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 0.1° | 0.1° |
| C5 | C6 | C8 | C10 | 179.1° | 180.0° |
| C5 | C6 | C8 | H8 | 1.0° | 0.0° |
| H5 | C5 | C6 | C7 | 169.3° | 30.0° |
| H5 | C5 | C6 | C8 | 10.0° | 149.7° |
| H6 | C5 | C6 | C7 | 50.5° | 150.0° |
| H6 | C5 | C6 | C8 | 128.8° | 29.7° |
| C6 | C7 | C9 | H7 | 180.0° | 179.9° |
| C7 | C6 | C8 | C10 | 0.2° | 0.3° |
| C7 | C6 | C8 | H8 | 179.7° | 179.7° |
| C6 | C7 | C9 | C11 | 1.2° | 0.0° |
| C6 | C7 | C9 | H9 | 178.7° | 180.0° |
| C8 | C6 | C7 | C9 | 0.7° | 0.3° |
| C8 | C6 | C7 | H7 | 179.3° | 179.8° |
| C6 | C8 | C10 | H8 | 179.9° | 180.0° |
| C6 | C8 | C10 | C11 | 0.6° | 0.1° |
| C6 | C8 | C10 | H10 | 179.3° | 180.0° |
| C7 | C9 | C11 | H9 | 180.0° | 180.0° |
| C7 | C9 | C11 | C10 | 0.7° | 0.3° |
| C7 | C9 | C11 | O3 | 178.8° | 180.0° |
| H7 | C7 | C9 | C11 | 178.8° | 180.0° |
| H7 | C7 | C9 | H9 | 1.2° | 0.1° |
| C8 | C10 | C11 | C9 | 0.2° | 0.4° |
| C8 | C10 | C11 | H10 | 180.0° | 179.9° |
| C8 | C10 | C11 | O3 | 179.7° | 179.9° |
| H8 | C8 | C10 | C11 | 179.2° | 179.9° |
| H8 | C8 | C10 | H10 | 0.8° | 0.0° |
| C9 | C11 | C10 | O3 | 179.5° | 179.7° |
| C9 | C11 | C10 | H10 | 179.8° | 179.7° |
| C9 | C11 | O3 | H11 | 180.0° | 90.0° |
| H9 | C9 | C11 | C10 | 179.2° | 179.7° |
| H9 | C9 | C11 | O3 | 1.2° | 0.0° |
| C10 | C11 | O3 | H11 | 0.4° | 89.7° |
| H10 | C10 | C11 | O3 | 0.3° | 0.0° |
| C12 | N2 | H12 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 120.8° | 119.8° |
| N2 | C12 | C13 | H13 | 119.0° | 119.8° |
| N2 | C12 | C14 | H13 | 120.6° | 120.4° |
| N2 | C12 | C13 | O4 | 16.3° | 17.3° |
| N2 | C12 | C14 | C15 | 60.8° | 65.0° |
| N2 | C12 | C14 | H14 | 178.5° | 55.0° |
| N2 | C12 | C14 | H15 | 59.8° | 175.0° |
| N2 | C12 | C13 | N3 | 165.7° | 162.8° |
| H12 | N2 | C12 | C13 | 32.7° | 24.5° |
| H12 | N2 | C12 | C14 | 89.1° | 95.2° |
| H12 | N2 | C12 | H13 | 151.0° | 144.3° |
| C13 | C12 | C14 | H13 | 120.4° | 120.4° |
| C12 | C13 | O4 | N3 | 177.9° | 180.0° |
| C13 | C12 | C14 | C15 | 58.2° | 175.7° |
| C13 | C12 | C14 | H14 | 62.5° | 64.2° |
| C13 | C12 | C14 | H15 | 178.8° | 55.7° |
| C12 | C13 | N3 | C21 | 178.7° | 180.0° |
| C12 | C13 | N3 | H21 | 1.2° | 0.1° |
| C13 | C12 | N2 | C4 | 147.3° | 155.4° |
| C14 | C12 | C13 | O4 | 104.5° | 102.5° |
| C12 | C14 | C15 | H14 | 120.7° | 120.1° |
| C12 | C14 | C15 | H15 | 120.6° | 120.0° |
| C12 | C14 | H14 | H15 | 118.0° | 120.0° |
| C12 | C14 | C15 | C16 | 89.5° | 90.1° |
| C12 | C14 | C15 | C17 | 91.6° | 90.3° |
| C14 | C12 | N2 | C4 | 90.9° | 84.8° |
| C14 | C12 | C13 | N3 | 73.6° | 77.5° |
| H13 | C12 | C13 | O4 | 135.3° | 137.0° |
| H13 | C12 | C14 | C15 | 178.5° | 55.3° |
| H13 | C12 | C14 | H14 | 57.9° | 175.4° |
| H13 | C12 | C14 | H15 | 60.8° | 64.6° |
| H13 | C12 | N2 | C4 | 29.0° | 35.7° |
| H13 | C12 | C13 | N3 | 46.6° | 43.0° |
| O4 | C13 | N3 | C21 | 0.7° | 0.1° |
| O4 | C13 | N3 | H21 | 179.2° | 179.9° |
| C15 | C14 | H14 | H15 | 118.0° | 119.9° |
| C14 | C15 | C16 | C17 | 179.0° | 179.7° |
| C14 | C15 | C16 | C18 | 179.6° | 180.0° |
| C14 | C15 | C16 | H16 | 0.3° | 0.1° |
| C14 | C15 | C17 | C19 | 179.6° | 180.0° |
| C14 | C15 | C17 | H17 | 0.4° | 0.0° |
| H14 | C14 | C15 | C16 | 149.9° | 30.0° |
| H14 | C14 | C15 | C17 | 29.1° | 149.6° |
| H15 | C14 | C15 | C16 | 31.2° | 149.9° |
| H15 | C14 | C15 | C17 | 147.8° | 29.7° |
| C15 | C16 | C18 | H16 | 180.0° | 179.9° |
| C16 | C15 | C17 | C19 | 1.5° | 0.3° |
| C16 | C15 | C17 | H17 | 178.5° | 179.7° |
| C15 | C16 | C18 | C20 | 0.1° | 0.1° |
| C15 | C16 | C18 | H18 | 180.0° | 179.9° |
| C17 | C15 | C16 | C18 | 0.7° | 0.4° |
| C17 | C15 | C16 | H16 | 179.3° | 179.8° |
| C15 | C17 | C19 | H17 | 180.0° | 180.0° |
| C15 | C17 | C19 | C20 | 1.7° | 0.0° |
| C15 | C17 | C19 | H19 | 178.4° | 180.0° |
| C16 | C18 | C20 | H18 | 180.0° | 180.0° |
| C16 | C18 | C20 | C19 | 0.2° | 0.2° |
| C16 | C18 | C20 | H20 | 179.8° | 180.0° |
| H16 | C16 | C18 | C20 | 179.9° | 180.0° |
| H16 | C16 | C18 | H18 | 0.1° | 0.0° |
| C17 | C19 | C20 | C18 | 1.0° | 0.3° |
| C17 | C19 | C20 | H19 | 179.9° | 180.0° |
| C17 | C19 | C20 | H20 | 179.0° | 180.0° |
| H17 | C17 | C19 | C20 | 178.3° | 180.0° |
| H17 | C17 | C19 | H19 | 1.6° | 0.0° |
| C18 | C20 | C19 | H20 | 179.9° | 179.7° |
| C18 | C20 | C19 | H19 | 179.0° | 179.7° |
| H18 | C18 | C20 | C19 | 179.8° | 179.8° |
| H18 | C18 | C20 | H20 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.9° | 0.0° |
| C21 | N3 | H21 | C13 | 179.9° | 180.0° |
| N3 | C21 | C22 | C23 | 121.3° | 119.8° |
| N3 | C21 | C22 | H22 | 118.9° | 119.9° |
| N3 | C21 | C23 | H22 | 119.3° | 120.3° |
| N3 | C21 | C22 | O5 | 61.3° | 24.6° |
| N3 | C21 | C23 | C24 | 53.3° | 52.0° |
| N3 | C21 | C23 | H23 | 67.3° | 171.9° |
| N3 | C21 | C23 | H24 | 173.8° | 68.1° |
| N3 | C21 | C22 | N4 | 115.7° | 155.5° |
| H21 | N3 | C21 | C22 | 96.6° | 27.8° |
| H21 | N3 | C21 | C23 | 26.3° | 147.6° |
| H21 | N3 | C21 | H22 | 145.1° | 92.0° |
| C22 | C21 | C23 | H22 | 119.9° | 120.3° |
| C21 | C22 | O5 | N4 | 176.7° | 180.0° |
| C22 | C21 | C23 | C24 | 174.1° | 67.4° |
| C22 | C21 | C23 | H23 | 53.5° | 52.5° |
| C22 | C21 | C23 | H24 | 65.3° | 172.5° |
| C21 | C22 | N4 | C26 | 175.7° | 179.9° |
| C21 | C22 | N4 | H28 | 4.2° | 0.1° |
| C22 | C21 | N3 | C13 | 83.4° | 152.2° |
| C23 | C21 | C22 | O5 | 60.0° | 144.3° |
| C21 | C23 | C24 | H23 | 120.5° | 120.0° |
| C21 | C23 | C24 | H24 | 120.6° | 120.0° |
| C21 | C23 | H23 | H24 | 118.2° | 120.0° |
| C21 | C23 | C24 | C25 | 171.2° | 174.9° |
| C21 | C23 | C24 | H25 | 50.6° | 55.0° |
| C21 | C23 | C24 | H26 | 68.4° | 65.0° |
| C23 | C21 | N3 | C13 | 153.7° | 32.4° |
| C23 | C21 | C22 | N4 | 123.1° | 35.7° |
| H22 | C21 | C22 | O5 | 179.9° | 95.3° |
| H22 | C21 | C23 | C24 | 66.0° | 172.3° |
| H22 | C21 | C23 | H23 | 173.4° | 67.7° |
| H22 | C21 | C23 | H24 | 54.5° | 52.3° |
| H22 | C21 | N3 | C13 | 35.0° | 88.0° |
| H22 | C21 | C22 | N4 | 3.2° | 84.7° |
| O5 | C22 | N4 | C26 | 1.1° | 0.1° |
| O5 | C22 | N4 | H28 | 179.0° | 179.9° |
| C24 | C23 | H23 | H24 | 118.2° | 120.0° |
| C23 | C24 | C25 | H25 | 120.6° | 120.0° |
| C23 | C24 | C25 | H26 | 120.4° | 120.0° |
| C23 | C24 | H25 | H26 | 118.5° | 120.1° |
| C23 | C24 | C25 | O6 | 28.2° | 0.0° |
| C23 | C24 | C25 | O7 | 150.1° | 180.0° |
| H23 | C23 | C24 | C25 | 68.3° | 65.1° |
| H23 | C23 | C24 | H25 | 171.2° | 175.0° |
| H23 | C23 | C24 | H26 | 52.1° | 54.9° |
| H24 | C23 | C24 | C25 | 50.6° | 54.9° |
| H24 | C23 | C24 | H25 | 70.0° | 65.0° |
| H24 | C23 | C24 | H26 | 171.0° | 175.0° |
| C25 | C24 | H25 | H26 | 118.4° | 120.0° |
| C24 | C25 | O6 | O7 | 178.2° | 180.0° |
| C24 | C25 | O7 | H27 | 178.2° | 180.0° |
| H25 | C24 | C25 | O6 | 148.8° | 120.0° |
| H25 | C24 | C25 | O7 | 29.5° | 60.0° |
| H26 | C24 | C25 | O6 | 92.3° | 120.0° |
| H26 | C24 | C25 | O7 | 89.5° | 60.0° |
| O6 | C25 | O7 | H27 | 0.0° | 0.0° |
| C26 | N4 | H28 | C22 | 179.9° | 180.0° |
| N4 | C26 | C27 | C28 | 118.3° | 119.8° |
| N4 | C26 | C27 | H29 | 119.9° | 119.8° |
| N4 | C26 | C28 | H29 | 121.2° | 120.4° |
| N4 | C26 | C27 | O8 | 35.3° | 20.5° |
| N4 | C26 | C28 | O9 | 156.4° | 65.0° |
| N4 | C26 | C28 | H30 | 82.7° | 55.0° |
| N4 | C26 | C28 | H31 | 35.6° | 175.0° |
| N4 | C26 | C27 | N5 | 140.9° | 159.5° |
| H28 | N4 | C26 | C27 | 66.3° | 27.2° |
| H28 | N4 | C26 | C28 | 54.1° | 92.5° |
| H28 | N4 | C26 | H29 | 174.5° | 147.1° |
| C27 | C26 | C28 | H29 | 122.0° | 120.4° |
| C26 | C27 | O8 | N5 | 176.1° | 180.0° |
| C27 | C26 | C28 | O9 | 39.7° | 175.8° |
| C27 | C26 | C28 | H30 | 160.5° | 64.3° |
| C27 | C26 | C28 | H31 | 81.2° | 55.7° |
| C26 | C27 | N5 | C29 | 168.4° | 180.0° |
| C26 | C27 | N5 | H33 | 11.7° | 0.0° |
| C27 | C26 | N4 | C22 | 113.8° | 152.8° |
| C28 | C26 | C27 | O8 | 83.0° | 99.3° |
| C26 | C28 | O9 | H30 | 120.9° | 120.0° |
| C26 | C28 | O9 | H31 | 120.9° | 120.1° |
| C26 | C28 | H30 | H31 | 117.2° | 120.0° |
| C26 | C28 | O9 | H32 | 180.0° | 180.0° |
| C28 | C26 | N4 | C22 | 125.8° | 87.5° |
| C28 | C26 | C27 | N5 | 100.8° | 80.8° |
| H29 | C26 | C27 | O8 | 155.2° | 140.3° |
| H29 | C26 | C28 | O9 | 82.4° | 55.4° |
| H29 | C26 | C28 | H30 | 38.5° | 175.4° |
| H29 | C26 | C28 | H31 | 156.8° | 64.6° |
| H29 | C26 | N4 | C22 | 5.4° | 33.0° |
| H29 | C26 | C27 | N5 | 21.1° | 39.6° |
| O8 | C27 | N5 | C29 | 15.5° | 0.1° |
| O8 | C27 | N5 | H33 | 164.5° | 179.9° |
| O9 | C28 | H30 | H31 | 117.2° | 120.0° |
| H30 | C28 | O9 | H32 | 59.1° | 60.1° |
| H31 | C28 | O9 | H32 | 59.1° | 59.9° |
| C29 | N5 | H33 | C27 | 179.9° | 180.0° |
| N5 | C29 | C30 | C31 | 128.0° | 119.8° |
| N5 | C29 | C30 | H34 | 117.1° | 119.9° |
| N5 | C29 | C31 | H34 | 118.7° | 120.3° |
| N5 | C29 | C30 | O10 | 178.6° | 15.0° |
| N5 | C29 | C31 | C32 | 64.1° | 101.2° |
| N5 | C29 | C31 | C33 | 61.7° | 138.8° |
| N5 | C29 | C31 | H35 | 178.2° | 18.7° |
| N5 | C29 | C30 | N6 | 3.1° | 164.9° |
| H33 | N5 | C29 | C30 | 92.3° | 26.1° |
| H33 | N5 | C29 | C31 | 32.8° | 145.9° |
| H33 | N5 | C29 | H34 | 151.0° | 93.7° |
| C30 | C29 | C31 | H34 | 115.2° | 120.3° |
| C29 | C30 | O10 | N6 | 175.3° | 180.0° |
| C30 | C29 | C31 | C32 | 169.8° | 18.2° |
| C30 | C29 | C31 | C33 | 64.4° | 101.8° |
| C30 | C29 | C31 | H35 | 52.1° | 138.1° |
| C29 | C30 | N6 | C34 | 175.6° | 179.9° |
| C29 | C30 | N6 | H42 | 4.4° | 0.0° |
| C30 | C29 | N5 | C27 | 87.7° | 153.9° |
| C31 | C29 | C30 | O10 | 53.4° | 134.9° |
| C29 | C31 | C32 | C33 | 125.3° | 120.0° |
| C29 | C31 | C32 | H35 | 117.6° | 120.0° |
| C29 | C31 | C33 | H35 | 116.5° | 120.0° |
| C29 | C31 | C32 | H36 | 180.0° | 77.5° |
| C29 | C31 | C32 | H37 | 60.0° | 162.5° |
| C29 | C31 | C32 | H38 | 60.0° | 42.5° |
| C29 | C31 | C33 | H39 | 180.0° | 54.9° |
| C29 | C31 | C33 | H40 | 60.1° | 175.0° |
| C29 | C31 | C33 | H41 | 60.0° | 65.1° |
| C31 | C29 | N5 | C27 | 147.1° | 34.1° |
| C31 | C29 | C30 | N6 | 131.1° | 45.1° |
| H34 | C29 | C30 | O10 | 61.5° | 104.8° |
| H34 | C29 | C31 | C32 | 54.7° | 138.4° |
| H34 | C29 | C31 | C33 | 179.5° | 18.4° |
| H34 | C29 | C31 | H35 | 63.0° | 101.6° |
| H34 | C29 | N5 | C27 | 29.0° | 86.3° |
| H34 | C29 | C30 | N6 | 113.9° | 75.2° |
| O10 | C30 | N6 | C34 | 0.3° | 0.1° |
| O10 | C30 | N6 | H42 | 179.7° | 179.9° |
| C32 | C31 | C33 | H35 | 117.2° | 120.0° |
| C31 | C32 | H36 | H37 | 120.0° | 120.0° |
| C31 | C32 | H36 | H38 | 120.0° | 120.0° |
| C31 | C32 | H37 | H38 | 120.0° | 120.0° |
| C32 | C31 | C33 | H39 | 53.7° | 174.9° |
| C32 | C31 | C33 | H40 | 66.3° | 65.1° |
| C32 | C31 | C33 | H41 | 173.7° | 54.9° |
| C33 | C31 | C32 | H36 | 54.7° | 42.5° |
| C33 | C31 | C32 | H37 | 174.7° | 77.5° |
| C33 | C31 | C32 | H38 | 65.4° | 162.5° |
| C31 | C33 | H39 | H40 | 120.0° | 120.1° |
| C31 | C33 | H39 | H41 | 120.1° | 120.0° |
| C31 | C33 | H40 | H41 | 120.0° | 120.0° |
| H35 | C31 | C32 | H36 | 62.4° | 162.5° |
| H35 | C31 | C32 | H37 | 57.6° | 42.5° |
| H35 | C31 | C32 | H38 | 177.5° | 77.5° |
| H35 | C31 | C33 | H39 | 63.5° | 65.1° |
| H35 | C31 | C33 | H40 | 176.5° | 54.9° |
| H35 | C31 | C33 | H41 | 56.5° | 174.9° |
| H36 | C32 | H37 | H38 | 120.0° | 120.0° |
| H39 | C33 | H40 | H41 | 120.0° | 119.9° |
| C34 | N6 | H42 | C30 | 180.0° | 179.9° |
| N6 | C34 | C35 | C36 | 122.7° | 119.8° |
| N6 | C34 | C35 | H43 | 120.0° | 119.8° |
| N6 | C34 | C36 | H43 | 117.3° | 120.4° |
| N6 | C34 | C35 | O11 | 131.2° | 16.6° |
| N6 | C34 | C36 | C37 | 60.1° | 65.0° |
| N6 | C34 | C36 | H44 | 60.0° | 55.0° |
| N6 | C34 | C36 | H45 | 179.8° | 175.0° |
| N6 | C34 | C35 | N7 | 44.7° | 163.4° |
| H42 | N6 | C34 | C35 | 73.2° | 28.5° |
| H42 | N6 | C34 | C36 | 50.4° | 91.2° |
| H42 | N6 | C34 | H43 | 167.1° | 148.4° |
| C35 | C34 | C36 | H43 | 117.5° | 120.3° |
| C34 | C35 | O11 | N7 | 175.6° | 179.9° |
| C35 | C34 | C36 | C37 | 174.6° | 175.7° |
| C35 | C34 | C36 | H44 | 65.3° | 64.3° |
| C35 | C34 | C36 | H45 | 54.5° | 55.8° |
| C34 | C35 | N7 | C43 | 178.5° | 180.0° |
| C34 | C35 | N7 | H51 | 1.5° | 0.1° |
| C35 | C34 | N6 | C30 | 106.8° | 151.5° |
| C36 | C34 | C35 | O11 | 106.1° | 103.2° |
| C34 | C36 | C37 | H44 | 120.1° | 120.0° |
| C34 | C36 | C37 | H45 | 120.1° | 119.9° |
| C34 | C36 | H44 | H45 | 119.7° | 120.0° |
| C34 | C36 | C37 | C38 | 85.5° | 90.1° |
| C34 | C36 | C37 | C39 | 91.1° | 90.3° |
| C36 | C34 | N6 | C30 | 129.5° | 88.8° |
| C36 | C34 | C35 | N7 | 78.1° | 76.9° |
| H43 | C34 | C35 | O11 | 11.2° | 136.4° |
| H43 | C34 | C36 | C37 | 57.2° | 55.3° |
| H43 | C34 | C36 | H44 | 177.3° | 175.4° |
| H43 | C34 | C36 | H45 | 62.9° | 64.6° |
| H43 | C34 | N6 | C30 | 12.9° | 31.7° |
| H43 | C34 | C35 | N7 | 164.7° | 43.5° |
| O11 | C35 | N7 | C43 | 2.7° | 0.1° |
| O11 | C35 | N7 | H51 | 177.3° | 179.9° |
| C37 | C36 | H44 | H45 | 119.7° | 120.0° |
| C36 | C37 | C38 | C39 | 176.7° | 179.7° |
| C36 | C37 | C38 | C40 | 178.3° | 180.0° |
| C36 | C37 | C38 | H46 | 1.7° | 0.1° |
| C36 | C37 | C39 | C41 | 177.7° | 179.9° |
| C36 | C37 | C39 | H47 | 2.3° | 0.0° |
| H44 | C36 | C37 | C38 | 154.4° | 30.0° |
| H44 | C36 | C37 | C39 | 29.0° | 149.7° |
| H45 | C36 | C37 | C38 | 34.6° | 150.0° |
| H45 | C36 | C37 | C39 | 148.8° | 29.7° |
| C37 | C38 | C40 | H46 | 179.9° | 179.9° |
| C38 | C37 | C39 | C41 | 1.1° | 0.2° |
| C38 | C37 | C39 | H47 | 178.9° | 179.7° |
| C37 | C38 | C40 | C42 | 0.9° | 0.0° |
| C37 | C38 | C40 | H48 | 179.1° | 179.9° |
| C39 | C37 | C38 | C40 | 1.7° | 0.3° |
| C39 | C37 | C38 | H46 | 178.4° | 179.8° |
| C37 | C39 | C41 | H47 | 180.0° | 179.9° |
| C37 | C39 | C41 | C42 | 0.2° | 0.1° |
| C37 | C39 | C41 | H49 | 179.8° | 180.0° |
| C38 | C40 | C42 | H48 | 180.0° | 179.9° |
| C38 | C40 | C42 | C41 | 0.5° | 0.3° |
| C38 | C40 | C42 | O12 | 179.7° | 180.0° |
| H46 | C38 | C40 | C42 | 179.2° | 179.9° |
| H46 | C38 | C40 | H48 | 0.8° | 0.0° |
| C39 | C41 | C42 | C40 | 1.0° | 0.3° |
| C39 | C41 | C42 | H49 | 180.0° | 180.0° |
| C39 | C41 | C42 | O12 | 179.7° | 179.9° |
| H47 | C39 | C41 | C42 | 179.8° | 180.0° |
| H47 | C39 | C41 | H49 | 0.2° | 0.0° |
| C40 | C42 | C41 | O12 | 179.2° | 179.7° |
| C40 | C42 | C41 | H49 | 179.0° | 179.7° |
| C40 | C42 | O12 | H50 | 180.0° | 90.0° |
| H48 | C40 | C42 | C41 | 179.5° | 179.8° |
| H48 | C40 | C42 | O12 | 0.3° | 0.0° |
| C41 | C42 | O12 | H50 | 0.7° | 89.7° |
| H49 | C41 | C42 | O12 | 0.3° | 0.0° |
| C43 | N7 | H51 | C35 | 180.0° | 179.9° |
| N7 | C43 | C44 | C45 | 122.0° | 119.8° |
| N7 | C43 | C44 | H52 | 119.4° | 119.8° |
| N7 | C43 | C45 | H52 | 120.1° | 120.3° |
| N7 | C43 | C44 | O13 | 36.3° | 16.7° |
| N7 | C43 | C45 | H53 | 179.9° | 43.1° |
| N7 | C43 | C45 | H54 | 60.0° | 163.0° |
| N7 | C43 | C45 | H55 | 60.0° | 76.9° |
| N7 | C43 | C44 | N8 | 143.7° | 163.3° |
| H51 | N7 | C43 | C44 | 90.0° | 26.6° |
| H51 | N7 | C43 | C45 | 31.8° | 146.5° |
| H51 | N7 | C43 | H52 | 151.2° | 93.2° |
| C44 | C43 | C45 | H52 | 118.7° | 120.3° |
| C43 | C44 | O13 | N8 | 180.0° | 180.0° |
| C44 | C43 | C45 | H53 | 58.7° | 76.3° |
| C44 | C43 | C45 | H54 | 178.8° | 43.6° |
| C44 | C43 | C45 | H55 | 61.2° | 163.6° |
| C43 | C44 | N8 | C46 | 176.1° | 179.9° |
| C43 | C44 | N8 | H56 | 4.0° | 0.1° |
| C44 | C43 | N7 | C35 | 90.0° | 153.3° |
| C45 | C43 | C44 | O13 | 85.7° | 136.5° |
| C43 | C45 | H53 | H54 | 120.1° | 119.9° |
| C43 | C45 | H53 | H55 | 120.0° | 120.0° |
| C43 | C45 | H54 | H55 | 120.0° | 120.0° |
| C45 | C43 | N7 | C35 | 148.2° | 33.5° |
| C45 | C43 | C44 | N8 | 94.3° | 43.5° |
| H52 | C43 | C44 | O13 | 155.7° | 103.2° |
| H52 | C43 | C45 | H53 | 60.0° | 163.4° |
| H52 | C43 | C45 | H54 | 60.1° | 76.7° |
| H52 | C43 | C45 | H55 | 179.9° | 43.3° |
| H52 | C43 | N7 | C35 | 28.8° | 86.9° |
| H52 | C43 | C44 | N8 | 24.3° | 76.8° |
| O13 | C44 | N8 | C46 | 3.9° | 0.1° |
| O13 | C44 | N8 | H56 | 176.0° | 179.8° |
| H53 | C45 | H54 | H55 | 119.9° | 120.0° |
| C46 | N8 | H56 | C44 | 180.0° | 179.9° |
| N8 | C46 | C47 | C48 | 118.4° | 119.8° |
| N8 | C46 | C47 | H57 | 120.3° | 119.7° |
| N8 | C46 | C48 | H57 | 121.1° | 120.3° |
| N8 | C46 | C47 | O14 | 45.2° | 17.1° |
| N8 | C46 | C48 | C49 | 62.2° | 175.2° |
| N8 | C46 | C48 | C50 | 175.2° | 64.9° |
| N8 | C46 | C48 | H58 | 56.6° | 55.2° |
| N8 | C46 | C47 | N9 | 142.0° | 163.0° |
| H56 | N8 | C46 | C47 | 106.5° | 29.1° |
| H56 | N8 | C46 | C48 | 13.1° | 90.7° |
| H56 | N8 | C46 | H57 | 133.6° | 148.8° |
| C47 | C46 | C48 | H57 | 121.5° | 120.4° |
| C46 | C47 | O14 | N9 | 172.3° | 179.9° |
| C47 | C46 | C48 | C49 | 179.6° | 65.6° |
| C47 | C46 | C48 | C50 | 57.7° | 54.4° |
| C47 | C46 | C48 | H58 | 60.8° | 174.4° |
| C46 | C47 | N9 | C52 | 172.8° | 180.0° |
| C46 | C47 | N9 | H67 | 7.2° | 0.1° |
| C47 | C46 | N8 | C44 | 73.6° | 151.0° |
| C48 | C46 | C47 | O14 | 73.2° | 102.6° |
| C46 | C48 | C49 | C50 | 122.2° | 120.0° |
| C46 | C48 | C49 | H58 | 118.7° | 120.0° |
| C46 | C48 | C50 | H58 | 118.5° | 120.0° |
| C46 | C48 | C49 | C51 | 49.4° | 62.6° |
| C46 | C48 | C49 | H59 | 70.9° | 177.3° |
| C46 | C48 | C49 | H60 | 169.7° | 57.4° |
| C46 | C48 | C50 | H61 | 180.0° | 60.0° |
| C46 | C48 | C50 | H62 | 60.0° | 180.0° |
| C46 | C48 | C50 | H63 | 60.0° | 60.0° |
| C48 | C46 | N8 | C44 | 166.8° | 89.2° |
| C48 | C46 | C47 | N9 | 99.5° | 77.3° |
| H57 | C46 | C47 | O14 | 165.5° | 136.8° |
| H57 | C46 | C48 | C49 | 58.9° | 54.8° |
| H57 | C46 | C48 | C50 | 63.7° | 174.8° |
| H57 | C46 | C48 | H58 | 177.7° | 65.2° |
| H57 | C46 | N8 | C44 | 46.3° | 31.3° |
| H57 | C46 | C47 | N9 | 21.8° | 43.3° |
| O14 | C47 | N9 | C52 | 0.4° | 0.1° |
| O14 | C47 | N9 | H67 | 179.7° | 180.0° |
| C49 | C48 | C50 | H58 | 119.0° | 120.0° |
| C48 | C49 | C51 | H59 | 120.3° | 120.0° |
| C48 | C49 | C51 | H60 | 120.3° | 120.0° |
| C48 | C49 | H59 | H60 | 119.2° | 120.0° |
| C49 | C48 | C50 | H61 | 57.5° | 60.0° |
| C49 | C48 | C50 | H62 | 177.6° | 60.0° |
| C49 | C48 | C50 | H63 | 62.5° | 180.0° |
| C48 | C49 | C51 | H64 | 180.0° | 55.8° |
| C48 | C49 | C51 | H65 | 60.0° | 64.2° |
| C48 | C49 | C51 | H66 | 60.0° | 175.8° |
| C50 | C48 | C49 | C51 | 72.8° | 177.4° |
| C50 | C48 | C49 | H59 | 166.9° | 57.4° |
| C50 | C48 | C49 | H60 | 47.4° | 62.6° |
| C48 | C50 | H61 | H62 | 120.0° | 120.0° |
| C48 | C50 | H61 | H63 | 120.0° | 120.0° |
| C48 | C50 | H62 | H63 | 119.9° | 120.0° |
| H58 | C48 | C49 | C51 | 168.2° | 57.3° |
| H58 | C48 | C49 | H59 | 47.9° | 62.7° |
| H58 | C48 | C49 | H60 | 71.6° | 177.3° |
| H58 | C48 | C50 | H61 | 61.4° | 180.0° |
| H58 | C48 | C50 | H62 | 58.6° | 60.0° |
| H58 | C48 | C50 | H63 | 178.6° | 60.0° |
| C51 | C49 | H59 | H60 | 119.1° | 120.0° |
| C49 | C51 | H64 | H65 | 120.0° | 120.0° |
| C49 | C51 | H64 | H66 | 120.0° | 120.0° |
| C49 | C51 | H65 | H66 | 120.0° | 120.0° |
| H59 | C49 | C51 | H64 | 59.7° | 175.8° |
| H59 | C49 | C51 | H65 | 179.7° | 55.8° |
| H59 | C49 | C51 | H66 | 60.3° | 64.2° |
| H60 | C49 | C51 | H64 | 59.7° | 64.2° |
| H60 | C49 | C51 | H65 | 60.3° | 175.8° |
| H60 | C49 | C51 | H66 | 179.7° | 55.9° |
| H61 | C50 | H62 | H63 | 120.0° | 120.0° |
| H64 | C51 | H65 | H66 | 120.0° | 120.0° |
| C52 | N9 | H67 | C47 | 180.0° | 179.9° |
| N9 | C52 | C53 | C54 | 121.2° | 119.8° |
| N9 | C52 | C53 | H68 | 120.1° | 119.8° |
| N9 | C52 | C54 | H68 | 119.9° | 120.2° |
| N9 | C52 | C53 | O15 | 48.0° | 12.8° |
| N9 | C52 | C54 | C55 | 179.3° | 176.7° |
| N9 | C52 | C54 | H69 | 60.5° | 63.3° |
| N9 | C52 | C54 | H70 | 59.1° | 56.7° |
| N9 | C52 | C53 | N11 | 133.6° | 167.2° |
| H67 | N9 | C52 | C53 | 128.6° | 32.3° |
| H67 | N9 | C52 | C54 | 7.9° | 152.2° |
| H67 | N9 | C52 | H68 | 111.7° | 87.6° |
| C53 | C52 | C54 | H68 | 118.5° | 120.4° |
| C52 | C53 | O15 | N11 | 178.3° | 180.0° |
| C53 | C52 | C54 | C55 | 57.8° | 57.3° |
| C53 | C52 | C54 | H69 | 178.0° | 177.2° |
| C53 | C52 | C54 | H70 | 62.4° | 62.7° |
| C52 | C53 | N11 | C63 | 179.8° | 179.8° |
| C52 | C53 | N11 | H77 | 0.3° | 0.1° |
| C53 | C52 | N9 | C47 | 51.4° | 147.5° |
| C54 | C52 | C53 | O15 | 73.3° | 132.7° |
| C52 | C54 | C55 | H69 | 120.2° | 120.0° |
| C52 | C54 | C55 | H70 | 120.3° | 120.0° |
| C52 | C54 | H69 | H70 | 119.4° | 120.0° |
| C52 | C54 | C55 | C56 | 101.9° | 109.3° |
| C52 | C54 | C55 | C57 | 71.5° | 70.4° |
| C54 | C52 | N9 | C47 | 172.1° | 27.7° |
| C54 | C52 | C53 | N11 | 105.2° | 47.4° |
| H68 | C52 | C53 | O15 | 168.1° | 107.0° |
| H68 | C52 | C54 | C55 | 60.7° | 63.1° |
| H68 | C52 | C54 | H69 | 59.5° | 56.9° |
| H68 | C52 | C54 | H70 | 179.1° | 176.9° |
| H68 | C52 | N9 | C47 | 68.3° | 92.6° |
| H68 | C52 | C53 | N11 | 13.4° | 73.0° |
| O15 | C53 | N11 | C63 | 1.4° | 0.2° |
| O15 | C53 | N11 | H77 | 178.7° | 179.9° |
| C55 | C54 | H69 | H70 | 119.3° | 120.0° |
| C54 | C55 | C56 | C57 | 174.5° | 179.7° |
| C54 | C55 | C56 | N10 | 177.3° | 180.0° |
| C54 | C55 | C56 | H71 | 2.6° | 0.1° |
| C54 | C55 | C57 | C58 | 176.3° | 180.0° |
| C54 | C55 | C57 | C59 | 3.6° | 0.0° |
| H69 | C54 | C55 | C56 | 137.9° | 130.7° |
| H69 | C54 | C55 | C57 | 48.7° | 49.6° |
| H70 | C54 | C55 | C56 | 18.4° | 10.7° |
| H70 | C54 | C55 | C57 | 168.2° | 169.6° |
| C55 | C56 | N10 | H71 | 180.0° | 179.9° |
| C56 | C55 | C57 | C58 | 1.8° | 0.3° |
| C56 | C55 | C57 | C59 | 178.1° | 179.8° |
| C55 | C56 | N10 | C58 | 2.9° | 0.2° |
| C55 | C56 | N10 | H72 | 177.1° | 180.0° |
| C57 | C55 | C56 | N10 | 2.9° | 0.3° |
| C57 | C55 | C56 | H71 | 177.1° | 179.8° |
| C55 | C57 | C58 | C59 | 179.9° | 179.9° |
| C55 | C57 | C58 | N10 | 0.1° | 0.2° |
| C55 | C57 | C58 | C60 | 177.8° | 180.0° |
| C55 | C57 | C59 | C61 | 178.3° | 180.0° |
| C55 | C57 | C59 | H73 | 1.7° | 0.1° |
| C56 | N10 | C58 | C57 | 1.6° | 0.0° |
| C56 | N10 | C58 | H72 | 180.0° | 179.8° |
| C56 | N10 | C58 | C60 | 179.4° | 179.8° |
| H71 | C56 | N10 | C58 | 177.1° | 179.9° |
| H71 | C56 | N10 | H72 | 2.9° | 0.1° |
| C57 | C58 | N10 | C60 | 177.8° | 179.8° |
| C57 | C58 | N10 | H72 | 178.3° | 179.8° |
| C58 | C57 | C59 | C61 | 1.8° | 0.0° |
| C58 | C57 | C59 | H73 | 178.2° | 180.0° |
| C57 | C58 | C60 | C62 | 1.1° | 0.0° |
| C57 | C58 | C60 | H74 | 178.9° | 180.0° |
| C59 | C57 | C58 | N10 | 179.8° | 179.9° |
| C59 | C57 | C58 | C60 | 2.2° | 0.1° |
| C57 | C59 | C61 | H73 | 180.0° | 179.9° |
| C57 | C59 | C61 | C62 | 0.4° | 0.1° |
| C57 | C59 | C61 | H75 | 179.7° | 180.0° |
| N10 | C58 | C60 | C62 | 178.6° | 179.7° |
| N10 | C58 | C60 | H74 | 1.4° | 0.3° |
| H72 | N10 | C58 | C60 | 0.6° | 0.0° |
| C58 | C60 | C62 | H74 | 180.0° | 180.0° |
| C58 | C60 | C62 | C61 | 0.3° | 0.1° |
| C58 | C60 | C62 | H76 | 179.7° | 179.9° |
| C59 | C61 | C62 | C60 | 0.7° | 0.1° |
| C59 | C61 | C62 | H75 | 179.9° | 179.9° |
| C59 | C61 | C62 | H76 | 179.3° | 180.0° |
| H73 | C59 | C61 | C62 | 179.6° | 179.9° |
| H73 | C59 | C61 | H75 | 0.3° | 0.1° |
| C60 | C62 | C61 | H76 | 180.0° | 179.8° |
| C60 | C62 | C61 | H75 | 179.2° | 180.0° |
| H74 | C60 | C62 | C61 | 179.7° | 179.9° |
| H74 | C60 | C62 | H76 | 0.3° | 0.0° |
| H75 | C61 | C62 | H76 | 0.8° | 0.1° |
| C63 | N11 | H77 | C53 | 179.9° | 179.9° |
| N11 | C63 | C64 | H78 | 120.5° | 119.8° |
| N11 | C63 | C64 | H79 | 120.5° | 119.8° |
| N11 | C63 | H78 | H79 | 118.5° | 120.4° |
| N11 | C63 | C64 | O16 | 155.9° | 15.5° |
| N11 | C63 | C64 | N12 | 22.6° | 164.4° |
| H77 | N11 | C63 | C64 | 75.3° | 33.6° |
| H77 | N11 | C63 | H78 | 45.2° | 153.4° |
| H77 | N11 | C63 | H79 | 164.2° | 86.2° |
| C64 | C63 | H78 | H79 | 118.6° | 120.3° |
| C63 | C64 | O16 | N12 | 178.4° | 179.9° |
| C63 | C64 | N12 | C65 | 179.7° | 179.9° |
| C63 | C64 | N12 | H80 | 0.3° | 0.1° |
| C64 | C63 | N11 | C53 | 104.6° | 146.5° |
| H78 | C63 | C64 | O16 | 35.4° | 135.3° |
| H78 | C63 | N11 | C53 | 134.9° | 26.7° |
| H78 | C63 | C64 | N12 | 143.0° | 44.7° |
| H79 | C63 | C64 | O16 | 83.6° | 104.3° |
| H79 | C63 | N11 | C53 | 15.9° | 93.7° |
| H79 | C63 | C64 | N12 | 97.9° | 75.7° |
| O16 | C64 | N12 | C65 | 1.9° | 0.2° |
| O16 | C64 | N12 | H80 | 178.1° | 179.8° |
| C65 | N12 | H80 | C64 | 179.9° | 180.0° |
| N12 | C65 | C66 | C67 | 123.7° | 119.7° |
| N12 | C65 | C66 | H81 | 120.0° | 119.8° |
| N12 | C65 | C67 | H81 | 118.0° | 120.4° |
| N12 | C65 | C66 | O17 | 165.0° | 27.2° |
| N12 | C65 | C67 | O18 | 61.6° | 179.8° |
| N12 | C65 | C67 | C68 | 58.7° | 59.8° |
| N12 | C65 | C67 | H82 | 176.1° | 60.2° |
| N12 | C65 | C66 | N13 | 12.0° | 152.9° |
| H80 | N12 | C65 | C66 | 97.5° | 19.4° |
| H80 | N12 | C65 | C67 | 25.5° | 139.1° |
| H80 | N12 | C65 | H81 | 143.0° | 100.5° |
| C66 | C65 | C67 | H81 | 116.2° | 120.4° |
| C65 | C66 | O17 | N13 | 176.9° | 180.0° |
| C66 | C65 | C67 | O18 | 64.2° | 60.5° |
| C66 | C65 | C67 | C68 | 175.5° | 59.5° |
| C66 | C65 | C67 | H82 | 58.1° | 179.5° |
| C65 | C66 | N13 | C69 | 179.7° | 179.8° |
| C65 | C66 | N13 | H87 | 0.4° | 0.3° |
| C66 | C65 | N12 | C64 | 82.5° | 160.7° |
| C67 | C65 | C66 | O17 | 71.3° | 146.9° |
| C65 | C67 | O18 | C68 | 118.9° | 120.1° |
| C65 | C67 | O18 | H82 | 121.4° | 119.9° |
| C65 | C67 | C68 | H82 | 118.1° | 120.0° |
| C65 | C67 | O18 | H83 | 71.2° | 180.0° |
| C65 | C67 | C68 | H84 | 180.0° | 174.9° |
| C65 | C67 | C68 | H85 | 60.0° | 54.8° |
| C65 | C67 | C68 | H86 | 60.0° | 65.1° |
| C67 | C65 | N12 | C64 | 154.5° | 40.9° |
| C67 | C65 | C66 | N13 | 111.7° | 33.1° |
| H81 | C65 | C66 | O17 | 45.0° | 92.7° |
| H81 | C65 | C67 | O18 | 179.6° | 59.8° |
| H81 | C65 | C67 | C68 | 59.3° | 179.8° |
| H81 | C65 | C67 | H82 | 58.1° | 60.2° |
| H81 | C65 | N12 | C64 | 37.0° | 79.5° |
| H81 | C65 | C66 | N13 | 132.0° | 87.3° |
| O17 | C66 | N13 | C69 | 2.8° | 0.3° |
| O17 | C66 | N13 | H87 | 177.2° | 179.7° |
| O18 | C67 | C68 | H82 | 121.3° | 120.0° |
| O18 | C67 | C68 | H84 | 59.4° | 65.1° |
| O18 | C67 | C68 | H85 | 179.4° | 174.9° |
| O18 | C67 | C68 | H86 | 60.6° | 54.9° |
| C68 | C67 | O18 | H83 | 47.6° | 60.0° |
| C67 | C68 | H84 | H85 | 120.0° | 120.0° |
| C67 | C68 | H84 | H86 | 120.0° | 119.9° |
| C67 | C68 | H85 | H86 | 119.9° | 119.9° |
| H82 | C67 | O18 | H83 | 167.3° | 60.1° |
| H82 | C67 | C68 | H84 | 61.9° | 55.0° |
| H82 | C67 | C68 | H85 | 58.2° | 65.1° |
| H82 | C67 | C68 | H86 | 178.2° | 174.9° |
| H84 | C68 | H85 | H86 | 120.0° | 120.0° |
| C69 | N13 | H87 | C66 | 179.9° | 179.9° |
| N13 | C69 | C70 | C71 | 122.9° | 119.8° |
| N13 | C69 | C70 | H88 | 119.7° | 119.8° |
| N13 | C69 | C71 | H88 | 118.4° | 120.4° |
| N13 | C69 | C70 | O19 | 170.2° | 40.4° |
| N13 | C69 | C71 | C72 | 58.7° | 65.0° |
| N13 | C69 | C71 | H89 | 62.3° | 55.0° |
| N13 | C69 | C71 | H90 | 179.6° | 175.0° |
| N13 | C69 | C70 | N14 | 11.7° | 139.6° |
| H87 | N13 | C69 | C70 | 71.7° | 40.4° |
| H87 | N13 | C69 | C71 | 51.0° | 79.5° |
| H87 | N13 | C69 | H88 | 169.0° | 160.1° |
| C70 | C69 | C71 | H88 | 117.5° | 120.3° |
| C69 | C70 | O19 | N14 | 178.0° | 180.0° |
| C70 | C69 | C71 | C72 | 177.2° | 175.8° |
| C70 | C69 | C71 | H89 | 61.9° | 64.3° |
| C70 | C69 | C71 | H90 | 56.2° | 55.7° |
| C69 | C70 | N14 | C75 | 169.2° | 179.9° |
| C69 | C70 | N14 | H98 | 10.8° | 0.2° |
| C70 | C69 | N13 | C66 | 108.4° | 139.7° |
| C71 | C69 | C70 | O19 | 47.4° | 160.2° |
| C69 | C71 | C72 | H89 | 121.0° | 119.9° |
| C69 | C71 | C72 | H90 | 121.0° | 120.1° |
| C69 | C71 | H89 | H90 | 117.1° | 120.0° |
| C69 | C71 | C72 | C73 | 173.8° | 175.0° |
| C69 | C71 | C72 | C74 | 58.0° | 65.1° |
| C69 | C71 | C72 | H91 | 58.5° | 55.0° |
| C71 | C69 | N13 | C66 | 128.9° | 100.5° |
| C71 | C69 | C70 | N14 | 134.5° | 19.8° |
| H88 | C69 | C70 | O19 | 70.0° | 79.4° |
| H88 | C69 | C71 | C72 | 59.7° | 55.4° |
| H88 | C69 | C71 | H89 | 179.3° | 175.4° |
| H88 | C69 | C71 | H90 | 61.2° | 64.6° |
| H88 | C69 | N13 | C66 | 11.0° | 19.9° |
| H88 | C69 | C70 | N14 | 108.0° | 100.6° |
| O19 | C70 | N14 | C75 | 12.8° | 0.1° |
| O19 | C70 | N14 | H98 | 167.2° | 179.8° |
| C72 | C71 | H89 | H90 | 116.9° | 120.0° |
| C71 | C72 | C73 | C74 | 128.4° | 120.0° |
| C71 | C72 | C73 | H91 | 115.2° | 120.0° |
| C71 | C72 | C74 | H91 | 116.5° | 120.1° |
| C71 | C72 | C73 | H92 | 180.0° | 59.9° |
| C71 | C72 | C73 | H93 | 60.0° | 180.0° |
| C71 | C72 | C73 | H94 | 60.0° | 60.0° |
| C71 | C72 | C74 | H95 | 180.0° | 180.0° |
| C71 | C72 | C74 | H96 | 60.1° | 59.9° |
| C71 | C72 | C74 | H97 | 59.9° | 60.1° |
| H89 | C71 | C72 | C73 | 52.8° | 55.0° |
| H89 | C71 | C72 | C74 | 179.0° | 175.0° |
| H89 | C71 | C72 | H91 | 62.5° | 65.0° |
| H90 | C71 | C72 | C73 | 65.2° | 65.0° |
| H90 | C71 | C72 | C74 | 63.0° | 55.0° |
| H90 | C71 | C72 | H91 | 179.5° | 175.1° |
| C73 | C72 | C74 | H91 | 116.5° | 120.0° |
| C72 | C73 | H92 | H93 | 120.1° | 120.0° |
| C72 | C73 | H92 | H94 | 120.0° | 119.9° |
| C72 | C73 | H93 | H94 | 120.0° | 120.0° |
| C73 | C72 | C74 | H95 | 53.0° | 60.0° |
| C73 | C72 | C74 | H96 | 67.0° | 60.0° |
| C73 | C72 | C74 | H97 | 173.0° | 180.0° |
| C74 | C72 | C73 | H92 | 51.6° | 60.0° |
| C74 | C72 | C73 | H93 | 171.7° | 60.0° |
| C74 | C72 | C73 | H94 | 68.4° | 180.0° |
| C72 | C74 | H95 | H96 | 120.0° | 120.0° |
| C72 | C74 | H95 | H97 | 120.1° | 119.9° |
| C72 | C74 | H96 | H97 | 120.0° | 120.0° |
| H91 | C72 | C73 | H92 | 64.8° | 180.0° |
| H91 | C72 | C73 | H93 | 55.3° | 60.0° |
| H91 | C72 | C73 | H94 | 175.2° | 60.0° |
| H91 | C72 | C74 | H95 | 63.5° | 60.0° |
| H91 | C72 | C74 | H96 | 176.5° | 180.0° |
| H91 | C72 | C74 | H97 | 56.6° | 60.0° |
| H92 | C73 | H93 | H94 | 120.0° | 120.0° |
| H95 | C74 | H96 | H97 | 120.0° | 120.1° |
| C75 | N14 | H98 | C70 | 180.0° | 179.9° |
| N14 | C75 | C76 | C77 | 122.5° | 119.4° |
| N14 | C75 | C76 | H99 | 120.2° | 120.2° |
| N14 | C75 | C77 | H99 | 118.3° | 119.9° |
| N14 | C75 | C76 | O20 | 142.8° | 146.9° |
| N14 | C75 | C77 | S1 | 64.8° | 170.8° |
| N14 | C75 | C77 | H100 | 55.5° | 51.0° |
| N14 | C75 | C77 | H101 | 174.7° | 69.0° |
| N14 | C75 | C76 | N15 | 38.1° | 33.1° |
| H98 | N14 | C75 | C76 | 94.3° | 130.1° |
| H98 | N14 | C75 | C77 | 28.4° | 10.3° |
| H98 | N14 | C75 | H99 | 146.0° | 109.7° |
| C76 | C75 | C77 | H99 | 117.4° | 120.3° |
| C75 | C76 | O20 | N15 | 179.0° | 180.0° |
| C76 | C75 | C77 | S1 | 170.8° | 69.4° |
| C76 | C75 | C77 | H100 | 68.9° | 170.8° |
| C76 | C75 | C77 | H101 | 50.4° | 50.8° |
| C75 | C76 | N15 | C78 | 171.4° | 175.0° |
| C75 | C76 | N15 | H102 | 8.6° | 5.0° |
| C76 | C75 | N14 | C70 | 85.6° | 50.0° |
| C77 | C75 | C76 | O20 | 94.7° | 93.7° |
| C75 | C77 | S1 | H100 | 120.4° | 120.0° |
| C75 | C77 | S1 | H101 | 120.4° | 120.2° |
| C75 | C77 | H100 | H101 | 118.9° | 120.1° |
| C75 | C77 | S1 | C2 | 57.8° | 22.7° |
| C77 | C75 | N14 | C70 | 151.6° | 169.8° |
| C77 | C75 | C76 | N15 | 84.4° | 86.3° |
| H99 | C75 | C76 | O20 | 22.6° | 26.7° |
| H99 | C75 | C77 | S1 | 53.4° | 51.0° |
| H99 | C75 | C77 | H100 | 173.8° | 68.9° |
| H99 | C75 | C77 | H101 | 67.0° | 171.1° |
| H99 | C75 | N14 | C70 | 34.0° | 70.2° |
| H99 | C75 | C76 | N15 | 158.3° | 153.3° |
| O20 | C76 | N15 | C78 | 7.6° | 5.0° |
| O20 | C76 | N15 | H102 | 172.4° | 175.0° |
| S1 | C77 | H100 | H101 | 118.9° | 119.8° |
| H100 | C77 | S1 | C2 | 178.2° | 97.3° |
| H101 | C77 | S1 | C2 | 62.6° | 142.9° |
| C78 | N15 | H102 | C76 | 180.0° | 180.0° |
| N15 | C78 | C79 | H103 | 120.7° | 120.0° |
| N15 | C78 | C79 | H104 | 120.6° | 120.0° |
| N15 | C78 | H103 | H104 | 117.8° | 120.0° |
| N15 | C78 | C79 | O21 | 97.5° | 5.1° |
| N15 | C78 | C79 | N16 | 81.9° | 174.9° |
| H102 | N15 | C78 | C79 | 130.3° | 5.1° |
| H102 | N15 | C78 | H103 | 108.9° | 114.9° |
| H102 | N15 | C78 | H104 | 9.7° | 125.1° |
| C79 | C78 | H103 | H104 | 117.8° | 120.0° |
| C78 | C79 | O21 | N16 | 179.3° | 179.9° |
| C78 | C79 | N16 | H105 | 179.4° | 0.0° |
| C78 | C79 | N16 | H106 | 0.7° | 180.0° |
| C79 | C78 | N15 | C76 | 49.7° | 174.9° |
| H103 | C78 | C79 | O21 | 23.2° | 114.9° |
| H103 | C78 | N15 | C76 | 71.1° | 65.1° |
| H103 | C78 | C79 | N16 | 157.4° | 65.1° |
| H104 | C78 | C79 | O21 | 141.9° | 125.1° |
| H104 | C78 | N15 | C76 | 170.3° | 54.9° |
| H104 | C78 | C79 | N16 | 38.8° | 54.9° |
| O21 | C79 | N16 | H105 | 0.1° | 180.0° |
| O21 | C79 | N16 | H106 | 180.0° | 0.0° |
| H105 | N16 | H106 | C79 | 180.0° | 180.0° |
| N1 | C1 | C2 | S1 | 128.9° | 148.7° |
