PRD_001167
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.50Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C9 | S1 | sing | 1.81Å | 1.82Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H18 | sing | 1.10Å | 1.10Å | |
| C11 | O3 | doub | 1.23Å | 1.24Å | |
| C12 | O4 | sing | 1.43Å | 1.42Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| N4 | C13 | sing | 1.45Å | 1.48Å | |
| N4 | H22 | sing | 0.99Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.25Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | O6 | doub | 1.21Å | 1.25Å | |
| C16 | O7 | sing | 1.34Å | 1.26Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å | |
| N5 | C17 | sing | 1.46Å | 1.45Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | O8 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | N6 | sing | 1.46Å | 1.46Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.37Å | 1.34Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| C22 | N7 | sing | 1.33Å | 1.33Å | |
| C22 | N8 | doub | 1.33Å | 1.33Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| N9 | C23 | sing | 1.46Å | 1.47Å | |
| N9 | H40 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | O9 | doub | 1.21Å | 1.24Å | |
| N10 | C25 | sing | 1.46Å | 1.46Å | |
| N10 | H43 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | O10 | doub | 1.21Å | 1.23Å | |
| C27 | S2 | sing | 1.82Å | 1.80Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| N11 | C28 | sing | 1.46Å | 1.46Å | |
| N11 | H47 | sing | 0.98Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | O11 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | O12 | doub | 1.21Å | 1.27Å | |
| C32 | O13 | sing | 1.34Å | 1.26Å | |
| O13 | H53 | sing | 0.97Å | 0.95Å | |
| N12 | C33 | sing | 1.47Å | 1.47Å | |
| N12 | H54 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.55Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | O14 | doub | 1.21Å | 1.24Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | O15 | doub | 1.21Å | 1.23Å | |
| C36 | N13 | sing | 1.35Å | 1.34Å | |
| N13 | H58 | sing | 0.97Å | 1.00Å | |
| N13 | H59 | sing | 0.97Å | 1.00Å | |
| N14 | C37 | sing | 1.47Å | 1.45Å | |
| N14 | H60 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | O16 | doub | 1.22Å | 1.24Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | N15 | sing | 1.46Å | 1.46Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| N15 | C42 | sing | 1.37Å | 1.33Å | |
| N15 | H68 | sing | 0.97Å | 1.00Å | |
| C42 | N16 | sing | 1.33Å | 1.34Å | |
| C42 | N17 | doub | 1.33Å | 1.33Å | |
| N16 | H69 | sing | 0.97Å | 1.00Å | |
| N16 | H70 | sing | 0.97Å | 1.00Å | |
| N17 | H71 | sing | 0.97Å | 1.00Å | |
| N17 | H72 | sing | 0.97Å | 1.00Å | |
| N18 | C43 | sing | 1.46Å | 1.45Å | |
| N18 | H73 | sing | 0.98Å | 1.00Å | |
| C43 | C44 | sing | 1.50Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H74 | sing | 1.11Å | 1.10Å | |
| C44 | O17 | doub | 1.22Å | 1.24Å | |
| C45 | C46 | sing | 1.51Å | 1.50Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | doub | 1.34Å | 1.37Å | Aromatic |
| C46 | C48 | sing | 1.47Å | 1.42Å | Aromatic |
| C47 | N19 | sing | 1.37Å | 1.38Å | Aromatic |
| C47 | H77 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.41Å | 1.41Å | Aromatic |
| C48 | C50 | sing | 1.40Å | 1.40Å | Aromatic |
| N19 | C49 | sing | 1.38Å | 1.37Å | Aromatic |
| N19 | H78 | sing | 0.97Å | 1.00Å | |
| C49 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C50 | C52 | doub | 1.37Å | 1.39Å | Aromatic |
| C50 | H79 | sing | 1.08Å | 1.08Å | |
| C51 | C53 | doub | 1.38Å | 1.37Å | Aromatic |
| C51 | H80 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.39Å | 1.40Å | Aromatic |
| C52 | H81 | sing | 1.08Å | 1.08Å | |
| C53 | H82 | sing | 1.08Å | 1.08Å | |
| N20 | C54 | sing | 1.47Å | 1.45Å | |
| N20 | H83 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.54Å | |
| C54 | C56 | sing | 1.53Å | 1.52Å | |
| C54 | H84 | sing | 1.09Å | 1.10Å | |
| C55 | O18 | doub | 1.21Å | 1.22Å | |
| C56 | S3 | sing | 1.81Å | 1.81Å | |
| C56 | H85 | sing | 1.09Å | 1.10Å | |
| C56 | H86 | sing | 1.09Å | 1.10Å | |
| N21 | C57 | sing | 1.46Å | 1.47Å | |
| N21 | H87 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.53Å | |
| C57 | H88 | sing | 1.09Å | 1.10Å | |
| C58 | O19 | doub | 1.21Å | 1.23Å | |
| C59 | C60 | sing | 1.53Å | 1.51Å | |
| C59 | H89 | sing | 1.09Å | 1.10Å | |
| C59 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | H91 | sing | 1.09Å | 1.10Å | |
| C60 | H92 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.52Å | |
| C61 | H93 | sing | 1.09Å | 1.10Å | |
| C61 | H94 | sing | 1.09Å | 1.10Å | |
| C62 | N22 | sing | 1.47Å | 1.49Å | |
| C62 | H95 | sing | 1.09Å | 1.10Å | |
| C62 | H96 | sing | 1.09Å | 1.10Å | |
| N22 | H97 | sing | 1.01Å | 1.00Å | |
| N22 | H98 | sing | 1.01Å | 1.00Å | |
| N22 | H99 | sing | 1.01Å | 1.00Å | |
| N23 | H100 | sing | 0.97Å | 1.00Å | |
| N23 | H101 | sing | 0.97Å | 1.00Å | |
| C74 | C71 | sing | 1.53Å | 1.51Å | |
| O22 | C70 | doub | 1.21Å | 1.25Å | |
| C71 | C70 | sing | 1.51Å | 1.52Å | |
| C70 | N25 | sing | 1.35Å | 1.47Å | |
| C72 | C67 | sing | 1.53Å | 1.50Å | |
| C67 | C66 | sing | 1.51Å | 1.49Å | |
| N25 | C63 | sing | 1.46Å | 1.43Å | |
| N25 | C64 | sing | 1.47Å | 1.46Å | |
| C63 | N24 | sing | 1.47Å | 1.43Å | |
| C66 | N24 | sing | 1.35Å | 1.46Å | |
| C66 | O20 | doub | 1.21Å | 1.24Å | |
| N24 | C65 | sing | 1.46Å | 1.46Å | |
| C64 | N26 | sing | 1.46Å | 1.48Å | |
| C73 | C69 | sing | 1.53Å | 1.50Å | |
| N26 | C65 | sing | 1.47Å | 1.47Å | |
| N26 | C68 | sing | 1.35Å | 1.46Å | |
| C69 | C68 | sing | 1.51Å | 1.49Å | |
| C68 | O21 | doub | 1.21Å | 1.22Å | |
| C63 | H102 | sing | 1.09Å | 1.10Å | |
| C63 | H103 | sing | 1.09Å | 1.10Å | |
| C64 | H104 | sing | 1.09Å | 1.10Å | |
| C64 | H105 | sing | 1.09Å | 1.10Å | |
| C65 | H106 | sing | 1.09Å | 1.10Å | |
| C65 | H107 | sing | 1.09Å | 1.10Å | |
| C67 | H108 | sing | 1.09Å | 1.10Å | |
| C67 | H109 | sing | 1.09Å | 1.10Å | |
| C69 | H110 | sing | 1.09Å | 1.10Å | |
| C69 | H111 | sing | 1.09Å | 1.10Å | |
| C71 | H112 | sing | 1.09Å | 1.10Å | |
| C71 | H113 | sing | 1.09Å | 1.10Å | |
| C72 | H114 | sing | 1.09Å | 1.10Å | |
| C72 | H115 | sing | 1.09Å | 1.10Å | |
| C73 | H116 | sing | 1.09Å | 1.10Å | |
| C73 | H117 | sing | 1.09Å | 1.10Å | |
| C74 | H118 | sing | 1.09Å | 1.10Å | |
| C74 | H119 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C8 | N3 | sing | 1.35Å | 1.33Å | |
| C11 | N4 | sing | 1.33Å | 1.33Å | |
| C14 | N5 | sing | 1.35Å | 1.33Å | |
| C18 | N9 | sing | 1.35Å | 1.33Å | |
| C24 | N10 | sing | 1.35Å | 1.34Å | |
| C26 | N11 | sing | 1.35Å | 1.33Å | |
| C29 | N12 | sing | 1.35Å | 1.33Å | |
| C34 | N14 | sing | 1.35Å | 1.33Å | |
| C38 | N18 | sing | 1.34Å | 1.33Å | |
| C44 | N20 | sing | 1.35Å | 1.34Å | |
| C55 | N21 | sing | 1.35Å | 1.33Å | |
| C58 | N23 | sing | 1.35Å | 1.32Å | |
| S1 | C73 | sing | 1.81Å | 1.84Å | |
| S2 | C74 | sing | 1.81Å | 1.84Å | |
| S3 | C72 | sing | 1.81Å | 1.83Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 110.9° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 110.0° | 109.5° |
| N1 | C1 | C3 | 110.4° | 109.5° |
| N1 | C1 | H3 | 108.8° | 109.4° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| C2 | C1 | C3 | 111.0° | 109.5° |
| C2 | C1 | H3 | 108.4° | 109.5° |
| C1 | C2 | O1 | 120.6° | 120.0° |
| C1 | C2 | N2 | 116.1° | 120.0° |
| C3 | C1 | H3 | 108.2° | 109.5° |
| C1 | C3 | C4 | 120.2° | 109.5° |
| C1 | C3 | H4 | 106.8° | 109.4° |
| C1 | C3 | H5 | 106.8° | 109.5° |
| O1 | C2 | N2 | 123.3° | 120.0° |
| C4 | C3 | H4 | 106.7° | 109.5° |
| C4 | C3 | H5 | 106.7° | 109.5° |
| C3 | C4 | C5 | 112.6° | 109.5° |
| C3 | C4 | C6 | 112.4° | 109.5° |
| C3 | C4 | H6 | 106.8° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C5 | C4 | C6 | 110.8° | 109.5° |
| C5 | C4 | H6 | 106.9° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.4° |
| C4 | C5 | H9 | 109.5° | 109.4° |
| C6 | C4 | H6 | 106.9° | 109.5° |
| C4 | C6 | H10 | 109.5° | 109.5° |
| C4 | C6 | H11 | 109.5° | 109.5° |
| C4 | C6 | H12 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H12 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.4° |
| C7 | N2 | H13 | 118.6° | 120.0° |
| N2 | C7 | C8 | 110.9° | 109.9° |
| N2 | C7 | C9 | 110.4° | 109.7° |
| N2 | C7 | H14 | 109.6° | 108.9° |
| C7 | N2 | C2 | 122.9° | 120.0° |
| H13 | N2 | C2 | 118.6° | 120.0° |
| C8 | C7 | C9 | 108.6° | 110.1° |
| C8 | C7 | H14 | 108.6° | 109.2° |
| C7 | C8 | O2 | 120.6° | 119.3° |
| C7 | C8 | N3 | 116.5° | 120.6° |
| C9 | C7 | H14 | 108.6° | 109.1° |
| C7 | C9 | S1 | 115.8° | 109.3° |
| C7 | C9 | H15 | 107.9° | 109.7° |
| C7 | C9 | H16 | 107.9° | 109.5° |
| O2 | C8 | N3 | 122.8° | 120.0° |
| S1 | C9 | H15 | 107.9° | 109.4° |
| S1 | C9 | H16 | 107.9° | 109.2° |
| C9 | S1 | C73 | 101.3° | 103.0° |
| H15 | C9 | H16 | 109.5° | 109.7° |
| C10 | N3 | H17 | 118.7° | 119.9° |
| N3 | C10 | C11 | 108.2° | 110.2° |
| N3 | C10 | C12 | 109.9° | 110.8° |
| N3 | C10 | H18 | 110.0° | 107.7° |
| C10 | N3 | C8 | 122.5° | 120.3° |
| H17 | N3 | C8 | 118.8° | 119.8° |
| C11 | C10 | C12 | 110.6° | 111.3° |
| C11 | C10 | H18 | 109.2° | 108.4° |
| C10 | C11 | O3 | 119.9° | 117.4° |
| C10 | C11 | N4 | 117.6° | 125.3° |
| C12 | C10 | H18 | 109.0° | 108.4° |
| C10 | C12 | O4 | 112.4° | 109.5° |
| C10 | C12 | H19 | 108.7° | 109.5° |
| C10 | C12 | H20 | 108.7° | 109.5° |
| O3 | C11 | N4 | 122.5° | 117.4° |
| O4 | C12 | H19 | 108.7° | 109.5° |
| O4 | C12 | H20 | 108.7° | 109.5° |
| C12 | O4 | H21 | 109.5° | 114.0° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| C13 | N4 | H22 | 119.4° | 117.2° |
| N4 | C13 | C14 | 109.7° | 109.3° |
| N4 | C13 | C15 | 111.1° | 111.3° |
| N4 | C13 | H23 | 109.1° | 109.8° |
| C13 | N4 | C11 | 121.1° | 126.3° |
| H22 | N4 | C11 | 119.5° | 116.5° |
| C14 | C13 | C15 | 110.1° | 107.9° |
| C14 | C13 | H23 | 108.4° | 108.8° |
| C13 | C14 | O5 | 122.0° | 119.6° |
| C13 | C14 | N5 | 114.3° | 120.0° |
| C15 | C13 | H23 | 108.4° | 109.6° |
| C13 | C15 | C16 | 112.7° | 109.5° |
| C13 | C15 | H24 | 108.7° | 109.5° |
| C13 | C15 | H25 | 108.7° | 109.5° |
| O5 | C14 | N5 | 123.8° | 120.5° |
| C16 | C15 | H24 | 108.6° | 109.5° |
| C16 | C15 | H25 | 108.7° | 109.5° |
| C15 | C16 | O6 | 117.8° | 120.0° |
| C15 | C16 | O7 | 119.0° | 120.0° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| O6 | C16 | O7 | 123.2° | 120.0° |
| C16 | O7 | H26 | 109.5° | 117.0° |
| C17 | N5 | H27 | 118.9° | 120.2° |
| N5 | C17 | C18 | 107.0° | 109.9° |
| N5 | C17 | C19 | 110.3° | 109.7° |
| N5 | C17 | H28 | 109.9° | 109.2° |
| C17 | N5 | C14 | 122.3° | 119.8° |
| H27 | N5 | C14 | 118.9° | 120.1° |
| C18 | C17 | C19 | 111.7° | 109.1° |
| C18 | C17 | H28 | 108.9° | 109.2° |
| C17 | C18 | O8 | 121.3° | 120.5° |
| C17 | C18 | N9 | 114.8° | 119.4° |
| C19 | C17 | H28 | 109.0° | 109.6° |
| C17 | C19 | C20 | 113.3° | 109.5° |
| C17 | C19 | H29 | 108.5° | 109.5° |
| C17 | C19 | H30 | 108.5° | 109.5° |
| O8 | C18 | N9 | 124.0° | 120.2° |
| C20 | C19 | H29 | 108.5° | 109.5° |
| C20 | C19 | H30 | 108.5° | 109.5° |
| C19 | C20 | C21 | 111.9° | 109.5° |
| C19 | C20 | H31 | 108.9° | 109.5° |
| C19 | C20 | H32 | 108.9° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| C21 | C20 | H31 | 108.9° | 109.5° |
| C21 | C20 | H32 | 108.9° | 109.4° |
| C20 | C21 | N6 | 111.8° | 109.5° |
| C20 | C21 | H33 | 108.9° | 109.5° |
| C20 | C21 | H34 | 108.9° | 109.4° |
| H31 | C20 | H32 | 109.4° | 109.5° |
| N6 | C21 | H33 | 108.9° | 109.5° |
| N6 | C21 | H34 | 108.9° | 109.5° |
| C21 | N6 | C22 | 125.0° | 120.0° |
| C21 | N6 | H35 | 117.5° | 120.0° |
| H33 | C21 | H34 | 109.4° | 109.5° |
| C22 | N6 | H35 | 117.5° | 120.0° |
| N6 | C22 | N7 | 120.9° | 120.0° |
| N6 | C22 | N8 | 120.1° | 120.0° |
| N7 | C22 | N8 | 119.0° | 120.0° |
| C22 | N7 | H36 | 120.0° | 120.0° |
| C22 | N7 | H37 | 120.0° | 120.0° |
| C22 | N8 | H38 | 120.0° | 120.1° |
| C22 | N8 | H39 | 120.0° | 119.9° |
| H36 | N7 | H37 | 120.0° | 120.0° |
| H38 | N8 | H39 | 120.1° | 120.0° |
| C23 | N9 | H40 | 118.6° | 120.1° |
| N9 | C23 | C24 | 111.2° | 109.4° |
| N9 | C23 | H41 | 109.0° | 109.5° |
| N9 | C23 | H42 | 109.1° | 109.4° |
| C23 | N9 | C18 | 122.7° | 120.0° |
| H40 | N9 | C18 | 118.7° | 119.9° |
| C24 | C23 | H41 | 109.0° | 109.7° |
| C24 | C23 | H42 | 109.0° | 109.5° |
| C23 | C24 | O9 | 120.6° | 119.8° |
| C23 | C24 | N10 | 116.2° | 120.0° |
| H41 | C23 | H42 | 109.5° | 109.3° |
| O9 | C24 | N10 | 123.1° | 120.2° |
| C25 | N10 | H43 | 119.1° | 120.2° |
| N10 | C25 | C26 | 113.7° | 109.4° |
| N10 | C25 | C27 | 109.7° | 109.7° |
| N10 | C25 | H44 | 108.1° | 109.5° |
| C25 | N10 | C24 | 121.7° | 119.7° |
| H43 | N10 | C24 | 119.2° | 120.2° |
| C26 | C25 | C27 | 110.8° | 109.2° |
| C26 | C25 | H44 | 107.0° | 109.4° |
| C25 | C26 | O10 | 120.3° | 119.7° |
| C25 | C26 | N11 | 116.9° | 119.7° |
| C27 | C25 | H44 | 107.2° | 109.6° |
| C25 | C27 | S2 | 112.5° | 109.6° |
| C25 | C27 | H45 | 108.7° | 109.8° |
| C25 | C27 | H46 | 108.7° | 109.2° |
| O10 | C26 | N11 | 122.8° | 120.6° |
| S2 | C27 | H45 | 108.7° | 109.5° |
| S2 | C27 | H46 | 108.7° | 109.2° |
| C27 | S2 | C74 | 104.5° | 102.8° |
| H45 | C27 | H46 | 109.4° | 109.4° |
| C28 | N11 | H47 | 118.9° | 119.6° |
| N11 | C28 | C29 | 111.2° | 109.1° |
| N11 | C28 | C30 | 111.2° | 109.5° |
| N11 | C28 | H48 | 108.7° | 109.8° |
| C28 | N11 | C26 | 122.2° | 120.9° |
| H47 | N11 | C26 | 118.9° | 119.5° |
| C29 | C28 | C30 | 109.8° | 109.2° |
| C29 | C28 | H48 | 108.0° | 109.8° |
| C28 | C29 | O11 | 120.5° | 119.4° |
| C28 | C29 | N12 | 116.1° | 120.4° |
| C30 | C28 | H48 | 107.9° | 109.5° |
| C28 | C30 | C31 | 115.2° | 109.5° |
| C28 | C30 | H49 | 108.0° | 109.5° |
| C28 | C30 | H50 | 108.0° | 109.5° |
| O11 | C29 | N12 | 123.3° | 120.2° |
| C31 | C30 | H49 | 108.0° | 109.5° |
| C31 | C30 | H50 | 108.0° | 109.4° |
| C30 | C31 | C32 | 114.8° | 109.5° |
| C30 | C31 | H51 | 108.1° | 109.5° |
| C30 | C31 | H52 | 108.1° | 109.4° |
| H49 | C30 | H50 | 109.4° | 109.5° |
| C32 | C31 | H51 | 108.1° | 109.5° |
| C32 | C31 | H52 | 108.1° | 109.4° |
| C31 | C32 | O12 | 117.9° | 120.0° |
| C31 | C32 | O13 | 119.2° | 120.0° |
| H51 | C31 | H52 | 109.5° | 109.5° |
| O12 | C32 | O13 | 122.9° | 120.0° |
| C32 | O13 | H53 | 109.5° | 117.0° |
| C33 | N12 | H54 | 118.8° | 120.2° |
| N12 | C33 | C34 | 111.9° | 109.8° |
| N12 | C33 | C35 | 108.8° | 109.2° |
| N12 | C33 | H55 | 108.8° | 109.5° |
| C33 | N12 | C29 | 122.4° | 119.8° |
| H54 | N12 | C29 | 118.8° | 120.0° |
| C34 | C33 | C35 | 111.7° | 109.4° |
| C34 | C33 | H55 | 107.7° | 109.4° |
| C33 | C34 | O14 | 121.1° | 120.1° |
| C33 | C34 | N14 | 116.0° | 120.2° |
| C35 | C33 | H55 | 107.8° | 109.5° |
| C33 | C35 | C36 | 112.9° | 109.5° |
| C33 | C35 | H56 | 108.6° | 109.4° |
| C33 | C35 | H57 | 108.6° | 109.5° |
| O14 | C34 | N14 | 122.8° | 119.7° |
| C36 | C35 | H56 | 108.6° | 109.5° |
| C36 | C35 | H57 | 108.6° | 109.5° |
| C35 | C36 | O15 | 120.4° | 120.0° |
| C35 | C36 | N13 | 116.8° | 120.0° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| O15 | C36 | N13 | 122.8° | 120.0° |
| C36 | N13 | H58 | 120.0° | 120.0° |
| C36 | N13 | H59 | 120.0° | 120.0° |
| H58 | N13 | H59 | 120.0° | 120.0° |
| C37 | N14 | H60 | 118.9° | 119.2° |
| N14 | C37 | C38 | 111.5° | 109.6° |
| N14 | C37 | C39 | 111.6° | 108.6° |
| N14 | C37 | H61 | 109.0° | 109.6° |
| C37 | N14 | C34 | 122.3° | 120.8° |
| H60 | N14 | C34 | 118.8° | 120.0° |
| C38 | C37 | C39 | 108.4° | 110.1° |
| C38 | C37 | H61 | 108.3° | 109.4° |
| C37 | C38 | O16 | 121.7° | 118.1° |
| C37 | C38 | N18 | 114.4° | 120.5° |
| C39 | C37 | H61 | 107.9° | 109.5° |
| C37 | C39 | C40 | 115.6° | 109.5° |
| C37 | C39 | H62 | 108.0° | 109.4° |
| C37 | C39 | H63 | 107.9° | 109.5° |
| O16 | C38 | N18 | 123.9° | 121.4° |
| C40 | C39 | H62 | 107.9° | 109.5° |
| C40 | C39 | H63 | 107.9° | 109.5° |
| C39 | C40 | C41 | 113.4° | 109.5° |
| C39 | C40 | H64 | 108.5° | 109.5° |
| C39 | C40 | H65 | 108.5° | 109.5° |
| H62 | C39 | H63 | 109.5° | 109.5° |
| C41 | C40 | H64 | 108.5° | 109.5° |
| C41 | C40 | H65 | 108.5° | 109.5° |
| C40 | C41 | N15 | 111.2° | 109.5° |
| C40 | C41 | H66 | 109.0° | 109.4° |
| C40 | C41 | H67 | 109.0° | 109.4° |
| H64 | C40 | H65 | 109.5° | 109.4° |
| N15 | C41 | H66 | 109.0° | 109.6° |
| N15 | C41 | H67 | 109.0° | 109.5° |
| C41 | N15 | C42 | 125.7° | 120.0° |
| C41 | N15 | H68 | 117.2° | 120.0° |
| H66 | C41 | H67 | 109.5° | 109.4° |
| C42 | N15 | H68 | 117.2° | 120.0° |
| N15 | C42 | N16 | 121.5° | 120.0° |
| N15 | C42 | N17 | 119.2° | 120.0° |
| N16 | C42 | N17 | 119.3° | 120.0° |
| C42 | N16 | H69 | 120.0° | 120.0° |
| C42 | N16 | H70 | 120.0° | 120.0° |
| C42 | N17 | H71 | 120.0° | 120.0° |
| C42 | N17 | H72 | 120.0° | 120.0° |
| H69 | N16 | H70 | 120.0° | 120.0° |
| H71 | N17 | H72 | 120.0° | 119.9° |
| C43 | N18 | H73 | 119.3° | 116.7° |
| N18 | C43 | C44 | 111.0° | 111.4° |
| N18 | C43 | C45 | 110.3° | 112.0° |
| N18 | C43 | H74 | 109.0° | 107.5° |
| C43 | N18 | C38 | 121.5° | 124.8° |
| H73 | N18 | C38 | 119.3° | 118.4° |
| C44 | C43 | C45 | 110.3° | 110.9° |
| C44 | C43 | H74 | 108.0° | 107.3° |
| C43 | C44 | O17 | 121.0° | 118.9° |
| C43 | C44 | N20 | 115.4° | 122.0° |
| C45 | C43 | H74 | 108.0° | 107.5° |
| C43 | C45 | C46 | 111.5° | 109.5° |
| C43 | C45 | H75 | 109.0° | 109.4° |
| C43 | C45 | H76 | 108.9° | 109.4° |
| O17 | C44 | N20 | 123.6° | 119.1° |
| C46 | C45 | H75 | 108.9° | 109.5° |
| C46 | C45 | H76 | 108.9° | 109.5° |
| C45 | C46 | C47 | 127.1° | 126.5° |
| C45 | C46 | C48 | 126.3° | 126.5° |
| H75 | C45 | H76 | 109.5° | 109.4° |
| C47 | C46 | C48 | 106.6° | 107.0° |
| C46 | C47 | N19 | 109.8° | 109.9° |
| C46 | C47 | H77 | 125.1° | 125.0° |
| C46 | C48 | C49 | 107.3° | 106.0° |
| C46 | C48 | C50 | 133.8° | 134.1° |
| N19 | C47 | H77 | 125.1° | 125.0° |
| C47 | N19 | C49 | 108.8° | 109.9° |
| C47 | N19 | H78 | 125.6° | 125.1° |
| C49 | C48 | C50 | 119.0° | 119.9° |
| C48 | C49 | N19 | 107.5° | 107.2° |
| C48 | C49 | C51 | 122.2° | 119.3° |
| C48 | C50 | C52 | 118.6° | 119.8° |
| C48 | C50 | H79 | 120.6° | 120.1° |
| C49 | N19 | H78 | 125.6° | 125.0° |
| N19 | C49 | C51 | 130.3° | 133.5° |
| C49 | C51 | C53 | 117.4° | 119.8° |
| C49 | C51 | H80 | 121.3° | 120.1° |
| C52 | C50 | H79 | 120.7° | 120.1° |
| C50 | C52 | C53 | 121.1° | 120.5° |
| C50 | C52 | H81 | 119.4° | 119.8° |
| C53 | C51 | H80 | 121.3° | 120.1° |
| C51 | C53 | C52 | 121.7° | 120.7° |
| C51 | C53 | H82 | 119.2° | 119.7° |
| C53 | C52 | H81 | 119.5° | 119.7° |
| C52 | C53 | H82 | 119.2° | 119.7° |
| C54 | N20 | H83 | 118.9° | 119.3° |
| N20 | C54 | C55 | 112.6° | 109.3° |
| N20 | C54 | C56 | 110.1° | 109.8° |
| N20 | C54 | H84 | 108.8° | 109.5° |
| C54 | N20 | C44 | 122.3° | 119.8° |
| H83 | N20 | C44 | 118.8° | 120.9° |
| C55 | C54 | C56 | 109.5° | 109.5° |
| C55 | C54 | H84 | 107.7° | 109.4° |
| C54 | C55 | O18 | 120.8° | 120.1° |
| C54 | C55 | N21 | 114.7° | 120.0° |
| C56 | C54 | H84 | 108.0° | 109.3° |
| C54 | C56 | S3 | 113.4° | 109.4° |
| C54 | C56 | H85 | 108.5° | 109.4° |
| C54 | C56 | H86 | 108.5° | 109.4° |
| O18 | C55 | N21 | 124.4° | 119.9° |
| S3 | C56 | H85 | 108.5° | 109.5° |
| S3 | C56 | H86 | 108.5° | 109.5° |
| C56 | S3 | C72 | 103.8° | 103.2° |
| H85 | C56 | H86 | 109.5° | 109.7° |
| C57 | N21 | H87 | 116.7° | 120.1° |
| N21 | C57 | C58 | 113.5° | 109.4° |
| N21 | C57 | C59 | 107.1° | 109.5° |
| N21 | C57 | H88 | 109.8° | 109.5° |
| C57 | N21 | C55 | 126.6° | 120.0° |
| H87 | N21 | C55 | 116.7° | 119.9° |
| C58 | C57 | C59 | 108.3° | 109.5° |
| C58 | C57 | H88 | 109.1° | 109.4° |
| C57 | C58 | O19 | 121.4° | 120.0° |
| C57 | C58 | N23 | 115.6° | 120.0° |
| C59 | C57 | H88 | 109.0° | 109.5° |
| C57 | C59 | C60 | 116.1° | 109.5° |
| C57 | C59 | H89 | 107.8° | 109.5° |
| C57 | C59 | H90 | 107.8° | 109.5° |
| O19 | C58 | N23 | 123.0° | 120.0° |
| C60 | C59 | H89 | 107.8° | 109.5° |
| C60 | C59 | H90 | 107.8° | 109.5° |
| C59 | C60 | C61 | 111.3° | 109.5° |
| C59 | C60 | H91 | 109.0° | 109.5° |
| C59 | C60 | H92 | 109.0° | 109.4° |
| H89 | C59 | H90 | 109.5° | 109.4° |
| C61 | C60 | H91 | 109.0° | 109.5° |
| C61 | C60 | H92 | 109.0° | 109.5° |
| C60 | C61 | C62 | 112.9° | 109.5° |
| C60 | C61 | H93 | 108.6° | 109.5° |
| C60 | C61 | H94 | 108.6° | 109.5° |
| H91 | C60 | H92 | 109.5° | 109.5° |
| C62 | C61 | H93 | 108.6° | 109.5° |
| C62 | C61 | H94 | 108.6° | 109.5° |
| C61 | C62 | N22 | 110.9° | 109.5° |
| C61 | C62 | H95 | 109.1° | 109.5° |
| C61 | C62 | H96 | 109.1° | 109.4° |
| H93 | C61 | H94 | 109.5° | 109.4° |
| N22 | C62 | H95 | 109.1° | 109.5° |
| N22 | C62 | H96 | 109.1° | 109.5° |
| C62 | N22 | H97 | 109.5° | 109.5° |
| C62 | N22 | H98 | 109.5° | 109.5° |
| C62 | N22 | H99 | 109.5° | 109.5° |
| H95 | C62 | H96 | 109.5° | 109.5° |
| H97 | N22 | H98 | 109.5° | 109.4° |
| H97 | N22 | H99 | 109.5° | 109.5° |
| H98 | N22 | H99 | 109.5° | 109.5° |
| H100 | N23 | H101 | 120.0° | 120.0° |
| H100 | N23 | C58 | 120.0° | 119.9° |
| H101 | N23 | C58 | 120.0° | 120.1° |
| C74 | C71 | C70 | 111.7° | 109.9° |
| C74 | C71 | H112 | 108.9° | 109.3° |
| C74 | C71 | H113 | 108.9° | 109.5° |
| C71 | C74 | H118 | 108.9° | 109.5° |
| C71 | C74 | H119 | 108.9° | 109.9° |
| C71 | C74 | S2 | 111.7° | 109.6° |
| O22 | C70 | C71 | 120.4° | 120.0° |
| O22 | C70 | N25 | 119.0° | 119.7° |
| C71 | C70 | N25 | 120.6° | 120.3° |
| C70 | C71 | H112 | 108.9° | 109.4° |
| C70 | C71 | H113 | 108.9° | 109.4° |
| C70 | N25 | C63 | 120.0° | 119.8° |
| C70 | N25 | C64 | 125.2° | 120.2° |
| C72 | C67 | C66 | 109.4° | 109.9° |
| C72 | C67 | H108 | 109.5° | 109.2° |
| C72 | C67 | H109 | 109.5° | 109.7° |
| C67 | C72 | H114 | 110.1° | 109.5° |
| C67 | C72 | H115 | 110.1° | 109.6° |
| C67 | C72 | S3 | 107.0° | 109.4° |
| C67 | C66 | N24 | 120.6° | 120.4° |
| C67 | C66 | O20 | 120.1° | 119.8° |
| C66 | C67 | H108 | 109.5° | 109.1° |
| C66 | C67 | H109 | 109.5° | 109.7° |
| C63 | N25 | C64 | 113.9° | 120.0° |
| N25 | C63 | N24 | 104.6° | 109.8° |
| N25 | C63 | H102 | 110.7° | 109.5° |
| N25 | C63 | H103 | 110.7° | 109.4° |
| N25 | C64 | N26 | 102.6° | 109.9° |
| N25 | C64 | H104 | 111.2° | 109.3° |
| N25 | C64 | H105 | 111.2° | 109.6° |
| C63 | N24 | C66 | 124.2° | 119.8° |
| C63 | N24 | C65 | 114.8° | 120.2° |
| N24 | C63 | H102 | 110.7° | 109.4° |
| N24 | C63 | H103 | 110.7° | 109.3° |
| N24 | C66 | O20 | 119.3° | 119.8° |
| C66 | N24 | C65 | 120.9° | 120.1° |
| N24 | C65 | N26 | 109.6° | 109.9° |
| N24 | C65 | H106 | 109.4° | 109.3° |
| N24 | C65 | H107 | 109.4° | 109.6° |
| C64 | N26 | C65 | 114.1° | 120.2° |
| C64 | N26 | C68 | 127.4° | 119.9° |
| N26 | C64 | H104 | 111.2° | 109.3° |
| N26 | C64 | H105 | 111.2° | 109.3° |
| C73 | C69 | C68 | 112.0° | 109.7° |
| C73 | C69 | H110 | 108.8° | 109.3° |
| C73 | C69 | H111 | 108.8° | 109.4° |
| C69 | C73 | H116 | 110.1° | 109.5° |
| C69 | C73 | H117 | 110.1° | 109.6° |
| C69 | C73 | S1 | 106.9° | 109.4° |
| C65 | N26 | C68 | 118.2° | 119.8° |
| N26 | C65 | H106 | 109.4° | 109.3° |
| N26 | C65 | H107 | 109.4° | 109.6° |
| N26 | C68 | C69 | 126.6° | 120.3° |
| N26 | C68 | O21 | 116.4° | 119.8° |
| C69 | C68 | O21 | 116.9° | 119.9° |
| C68 | C69 | H110 | 108.8° | 109.8° |
| C68 | C69 | H111 | 108.8° | 109.3° |
| H102 | C63 | H103 | 109.5° | 109.5° |
| H104 | C64 | H105 | 109.5° | 109.4° |
| H106 | C65 | H107 | 109.5° | 109.2° |
| H108 | C67 | H109 | 109.4° | 109.2° |
| H110 | C69 | H111 | 109.5° | 109.3° |
| H112 | C71 | H113 | 109.4° | 109.3° |
| H114 | C72 | H115 | 109.5° | 109.4° |
| H114 | C72 | S3 | 110.1° | 109.5° |
| H115 | C72 | S3 | 110.1° | 109.6° |
| H116 | C73 | H117 | 109.4° | 109.5° |
| H116 | C73 | S1 | 110.1° | 109.3° |
| H117 | C73 | S1 | 110.1° | 109.5° |
| H118 | C74 | H119 | 109.5° | 109.2° |
| H118 | C74 | S2 | 108.9° | 109.3° |
| H119 | C74 | S2 | 108.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 122.5° | 120.1° |
| N1 | C1 | C2 | H3 | 118.8° | 119.9° |
| N1 | C1 | C3 | H3 | 118.9° | 119.9° |
| N1 | C1 | C2 | O1 | 82.2° | 20.1° |
| N1 | C1 | C3 | C4 | 173.2° | 64.9° |
| N1 | C1 | C3 | H4 | 51.7° | 55.1° |
| N1 | C1 | C3 | H5 | 65.3° | 175.0° |
| N1 | C1 | C2 | N2 | 96.5° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.1° |
| H1 | N1 | C1 | C3 | 57.2° | 60.0° |
| H1 | N1 | C1 | H3 | 61.4° | 180.0° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 177.1° | 63.9° |
| H2 | N1 | C1 | H3 | 58.6° | 56.1° |
| C2 | C1 | C3 | H3 | 118.8° | 120.0° |
| C1 | C2 | O1 | N2 | 178.6° | 179.9° |
| C2 | C1 | C3 | C4 | 64.5° | 175.0° |
| C2 | C1 | C3 | H4 | 174.0° | 65.0° |
| C2 | C1 | C3 | H5 | 57.0° | 54.9° |
| C1 | C2 | N2 | C7 | 179.3° | 180.0° |
| C1 | C2 | N2 | H13 | 0.7° | 0.1° |
| C3 | C1 | C2 | O1 | 40.3° | 100.0° |
| C1 | C3 | C4 | H4 | 121.5° | 120.0° |
| C1 | C3 | C4 | H5 | 121.5° | 120.0° |
| C1 | C3 | H4 | H5 | 115.2° | 119.9° |
| C1 | C3 | C4 | C5 | 88.2° | 175.0° |
| C1 | C3 | C4 | C6 | 37.8° | 65.0° |
| C1 | C3 | C4 | H6 | 154.8° | 55.0° |
| C3 | C1 | C2 | N2 | 141.0° | 79.9° |
| H3 | C1 | C2 | O1 | 159.0° | 140.0° |
| H3 | C1 | C3 | C4 | 54.3° | 55.0° |
| H3 | C1 | C3 | H4 | 67.2° | 175.0° |
| H3 | C1 | C3 | H5 | 175.8° | 65.1° |
| H3 | C1 | C2 | N2 | 22.3° | 40.1° |
| O1 | C2 | N2 | C7 | 2.1° | 0.0° |
| O1 | C2 | N2 | H13 | 177.9° | 180.0° |
| C4 | C3 | H4 | H5 | 115.1° | 120.0° |
| C3 | C4 | C5 | C6 | 126.8° | 120.0° |
| C3 | C4 | C5 | H6 | 117.0° | 120.0° |
| C3 | C4 | C6 | H6 | 116.8° | 120.0° |
| C3 | C4 | C5 | H7 | 180.0° | 60.0° |
| C3 | C4 | C5 | H8 | 60.0° | 180.0° |
| C3 | C4 | C5 | H9 | 60.0° | 60.0° |
| C3 | C4 | C6 | H10 | 180.0° | 60.0° |
| C3 | C4 | C6 | H11 | 60.0° | 180.0° |
| C3 | C4 | C6 | H12 | 60.0° | 60.0° |
| H4 | C3 | C4 | C5 | 150.3° | 55.0° |
| H4 | C3 | C4 | C6 | 83.7° | 175.0° |
| H4 | C3 | C4 | H6 | 33.2° | 65.0° |
| H5 | C3 | C4 | C5 | 33.4° | 65.0° |
| H5 | C3 | C4 | C6 | 159.3° | 55.0° |
| H5 | C3 | C4 | H6 | 83.7° | 175.0° |
| C5 | C4 | C6 | H6 | 116.2° | 120.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 120.0° |
| C5 | C4 | C6 | H10 | 53.0° | 180.0° |
| C5 | C4 | C6 | H11 | 66.9° | 60.0° |
| C5 | C4 | C6 | H12 | 173.0° | 60.0° |
| C6 | C4 | C5 | H7 | 53.2° | 60.0° |
| C6 | C4 | C5 | H8 | 173.2° | 60.0° |
| C6 | C4 | C5 | H9 | 66.8° | 180.0° |
| C4 | C6 | H10 | H11 | 120.0° | 120.0° |
| C4 | C6 | H10 | H12 | 120.0° | 120.0° |
| C4 | C6 | H11 | H12 | 120.0° | 120.0° |
| H6 | C4 | C5 | H7 | 63.0° | 180.0° |
| H6 | C4 | C5 | H8 | 57.0° | 60.0° |
| H6 | C4 | C5 | H9 | 177.0° | 60.0° |
| H6 | C4 | C6 | H10 | 63.2° | 60.0° |
| H6 | C4 | C6 | H11 | 176.9° | 60.0° |
| H6 | C4 | C6 | H12 | 56.8° | NaN° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| H10 | C6 | H11 | H12 | 120.0° | 120.0° |
| C7 | N2 | H13 | C2 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 121.5° | 120.9° |
| N2 | C7 | C8 | H14 | 120.5° | 119.3° |
| N2 | C7 | C9 | H14 | 120.2° | 119.2° |
| N2 | C7 | C8 | O2 | 31.2° | 133.7° |
| N2 | C7 | C9 | S1 | 57.1° | 48.2° |
| N2 | C7 | C9 | H15 | 63.8° | 71.8° |
| N2 | C7 | C9 | H16 | 178.1° | 167.8° |
| N2 | C7 | C8 | N3 | 148.9° | 46.3° |
| H13 | N2 | C7 | C8 | 61.3° | 95.0° |
| H13 | N2 | C7 | C9 | 59.2° | 26.2° |
| H13 | N2 | C7 | H14 | 178.8° | 145.5° |
| C8 | C7 | C9 | H14 | 118.0° | 119.8° |
| C7 | C8 | O2 | N3 | 179.9° | 180.0° |
| C8 | C7 | C9 | S1 | 179.0° | 169.2° |
| C8 | C7 | C9 | H15 | 58.1° | 49.2° |
| C8 | C7 | C9 | H16 | 60.1° | 71.2° |
| C7 | C8 | N3 | C10 | 175.9° | 174.1° |
| C7 | C8 | N3 | H17 | 4.1° | 4.8° |
| C8 | C7 | N2 | C2 | 118.7° | 85.0° |
| C9 | C7 | C8 | O2 | 90.3° | 105.4° |
| C7 | C9 | S1 | H15 | 120.9° | 120.2° |
| C7 | C9 | S1 | H16 | 120.9° | 119.8° |
| C7 | C9 | H15 | H16 | 117.1° | 120.3° |
| C9 | C7 | N2 | C2 | 120.8° | 153.8° |
| C9 | C7 | C8 | N3 | 89.6° | 74.6° |
| C7 | C9 | S1 | C73 | 65.5° | 168.7° |
| H14 | C7 | C8 | O2 | 151.7° | 14.4° |
| H14 | C7 | C9 | S1 | 63.1° | 71.0° |
| H14 | C7 | C9 | H15 | 176.0° | 169.0° |
| H14 | C7 | C9 | H16 | 57.9° | 48.6° |
| H14 | C7 | N2 | C2 | 1.2° | 34.5° |
| H14 | C7 | C8 | N3 | 28.4° | 165.6° |
| O2 | C8 | N3 | C10 | 4.1° | 5.9° |
| O2 | C8 | N3 | H17 | 176.0° | 175.2° |
| S1 | C9 | H15 | H16 | 117.1° | 119.8° |
| C9 | S1 | C73 | C69 | 71.8° | 95.8° |
| C9 | S1 | C73 | H116 | 168.6° | 24.1° |
| C9 | S1 | C73 | H117 | 47.8° | 144.1° |
| H15 | C9 | S1 | C73 | 173.6° | 71.1° |
| H16 | C9 | S1 | C73 | 55.4° | 48.9° |
| C10 | N3 | H17 | C8 | 180.0° | 178.8° |
| N3 | C10 | C11 | C12 | 120.4° | 123.3° |
| N3 | C10 | C11 | H18 | 119.7° | 117.6° |
| N3 | C10 | C12 | H18 | 120.6° | 117.9° |
| N3 | C10 | C11 | O3 | 53.5° | 127.4° |
| N3 | C10 | C12 | O4 | 171.2° | 63.9° |
| N3 | C10 | C12 | H19 | 68.3° | 56.1° |
| N3 | C10 | C12 | H20 | 50.8° | 176.1° |
| N3 | C10 | C11 | N4 | 126.2° | 52.9° |
| H17 | N3 | C10 | C11 | 104.4° | 21.4° |
| H17 | N3 | C10 | C12 | 16.4° | 102.1° |
| H17 | N3 | C10 | H18 | 136.4° | 139.5° |
| C11 | C10 | C12 | H18 | 120.0° | 119.1° |
| C10 | C11 | O3 | N4 | 179.7° | 179.8° |
| C11 | C10 | C12 | O4 | 51.8° | 173.2° |
| C11 | C10 | C12 | H19 | 172.3° | 66.8° |
| C11 | C10 | C12 | H20 | 68.6° | 53.2° |
| C10 | C11 | N4 | C13 | 178.5° | 47.4° |
| C10 | C11 | N4 | H22 | 1.5° | 132.3° |
| C11 | C10 | N3 | C8 | 75.6° | 157.4° |
| C12 | C10 | C11 | O3 | 66.9° | 109.4° |
| C10 | C12 | O4 | H19 | 120.4° | 120.0° |
| C10 | C12 | O4 | H20 | 120.5° | 120.0° |
| C10 | C12 | H19 | H20 | 118.7° | 120.0° |
| C10 | C12 | O4 | H21 | 102.4° | 180.0° |
| C12 | C10 | N3 | C8 | 163.6° | 79.0° |
| C12 | C10 | C11 | N4 | 113.4° | 70.4° |
| H18 | C10 | C11 | O3 | 173.2° | 9.7° |
| H18 | C10 | C12 | O4 | 68.2° | 54.1° |
| H18 | C10 | C12 | H19 | 52.3° | 174.1° |
| H18 | C10 | C12 | H20 | 171.4° | 65.9° |
| H18 | C10 | N3 | C8 | 43.6° | 39.3° |
| H18 | C10 | C11 | N4 | 6.5° | 170.5° |
| O3 | C11 | N4 | C13 | 1.8° | 132.3° |
| O3 | C11 | N4 | H22 | 178.2° | 47.9° |
| O4 | C12 | H19 | H20 | 118.6° | 120.0° |
| H19 | C12 | O4 | H21 | 137.2° | 60.0° |
| H20 | C12 | O4 | H21 | 18.1° | 60.0° |
| C13 | N4 | H22 | C11 | 180.0° | 179.8° |
| N4 | C13 | C14 | C15 | 122.5° | 121.2° |
| N4 | C13 | C14 | H23 | 119.1° | 119.9° |
| N4 | C13 | C15 | H23 | 119.9° | 121.7° |
| N4 | C13 | C14 | O5 | 134.3° | 33.1° |
| N4 | C13 | C15 | C16 | 54.4° | 173.1° |
| N4 | C13 | C15 | H24 | 66.1° | 53.1° |
| N4 | C13 | C15 | H25 | 174.9° | 66.9° |
| N4 | C13 | C14 | N5 | 45.5° | 147.3° |
| H22 | N4 | C13 | C14 | 124.0° | 23.1° |
| H22 | N4 | C13 | C15 | 2.1° | 96.0° |
| H22 | N4 | C13 | H23 | 117.4° | 142.4° |
| C14 | C13 | C15 | H23 | 118.4° | 118.3° |
| C13 | C14 | O5 | N5 | 179.8° | 179.6° |
| C14 | C13 | C15 | C16 | 176.1° | 66.9° |
| C14 | C13 | C15 | H24 | 55.6° | 173.1° |
| C14 | C13 | C15 | H25 | 63.4° | 53.0° |
| C13 | C14 | N5 | C17 | 166.8° | 174.6° |
| C13 | C14 | N5 | H27 | 13.2° | 5.4° |
| C14 | C13 | N4 | C11 | 56.1° | 157.1° |
| C15 | C13 | C14 | O5 | 103.2° | 88.1° |
| C13 | C15 | C16 | H24 | 120.5° | 120.0° |
| C13 | C15 | C16 | H25 | 120.5° | 120.0° |
| C13 | C15 | H24 | H25 | 118.6° | 120.0° |
| C13 | C15 | C16 | O6 | 62.7° | 7.6° |
| C13 | C15 | C16 | O7 | 117.4° | 172.3° |
| C15 | C13 | N4 | C11 | 178.0° | 83.8° |
| C15 | C13 | C14 | N5 | 77.0° | 91.5° |
| H23 | C13 | C14 | O5 | 15.2° | 153.0° |
| H23 | C13 | C15 | C16 | 65.5° | 51.4° |
| H23 | C13 | C15 | H24 | 174.0° | 68.6° |
| H23 | C13 | C15 | H25 | 55.0° | 171.4° |
| H23 | C13 | N4 | C11 | 62.6° | 37.8° |
| H23 | C13 | C14 | N5 | 164.6° | 27.4° |
| O5 | C14 | N5 | C17 | 13.0° | 5.0° |
| O5 | C14 | N5 | H27 | 167.1° | 175.1° |
| C16 | C15 | H24 | H25 | 118.5° | 120.0° |
| C15 | C16 | O6 | O7 | 179.8° | 180.0° |
| C15 | C16 | O7 | H26 | 179.9° | 180.0° |
| H24 | C15 | C16 | O6 | 57.8° | 112.4° |
| H24 | C15 | C16 | O7 | 122.1° | 67.7° |
| H25 | C15 | C16 | O6 | 176.8° | 127.6° |
| H25 | C15 | C16 | O7 | 3.0° | 52.4° |
| O6 | C16 | O7 | H26 | 0.0° | 0.0° |
| C17 | N5 | H27 | C14 | 180.0° | 180.0° |
| N5 | C17 | C18 | C19 | 120.8° | 120.3° |
| N5 | C17 | C18 | H28 | 118.8° | 119.8° |
| N5 | C17 | C19 | H28 | 120.8° | 119.9° |
| N5 | C17 | C18 | O8 | 76.1° | 29.6° |
| N5 | C17 | C19 | C20 | 69.0° | 173.8° |
| N5 | C17 | C19 | H29 | 51.6° | 53.7° |
| N5 | C17 | C19 | H30 | 170.4° | 66.2° |
| N5 | C17 | C18 | N9 | 104.2° | 150.1° |
| H27 | N5 | C17 | C18 | 106.7° | 19.2° |
| H27 | N5 | C17 | C19 | 15.0° | 100.8° |
| H27 | N5 | C17 | H28 | 135.2° | 139.0° |
| C18 | C17 | C19 | H28 | 120.3° | 119.6° |
| C17 | C18 | O8 | N9 | 179.6° | 179.7° |
| C18 | C17 | C19 | C20 | 172.1° | 65.8° |
| C18 | C17 | C19 | H29 | 67.3° | 174.2° |
| C18 | C17 | C19 | H30 | 51.5° | 54.3° |
| C17 | C18 | N9 | C23 | 161.6° | 173.4° |
| C17 | C18 | N9 | H40 | 18.4° | 7.0° |
| C18 | C17 | N5 | C14 | 73.3° | 160.8° |
| C19 | C17 | C18 | O8 | 44.7° | 90.7° |
| C17 | C19 | C20 | H29 | 120.6° | 120.0° |
| C17 | C19 | C20 | H30 | 120.6° | 120.0° |
| C17 | C19 | H29 | H30 | 118.2° | 119.9° |
| C17 | C19 | C20 | C21 | 163.8° | 176.4° |
| C17 | C19 | C20 | H31 | 75.9° | 56.5° |
| C17 | C19 | C20 | H32 | 43.4° | 63.6° |
| C19 | C17 | N5 | C14 | 165.0° | 79.2° |
| C19 | C17 | C18 | N9 | 135.0° | 89.6° |
| H28 | C17 | C18 | O8 | 165.1° | 149.4° |
| H28 | C17 | C19 | C20 | 51.8° | 53.8° |
| H28 | C17 | C19 | H29 | 172.4° | 66.2° |
| H28 | C17 | C19 | H30 | 68.8° | 173.9° |
| H28 | C17 | N5 | C14 | 44.8° | 41.0° |
| H28 | C17 | C18 | N9 | 14.6° | 30.3° |
| O8 | C18 | N9 | C23 | 18.7° | 6.9° |
| O8 | C18 | N9 | H40 | 161.2° | 172.7° |
| C20 | C19 | H29 | H30 | 118.3° | 120.0° |
| C19 | C20 | C21 | H31 | 120.4° | 120.0° |
| C19 | C20 | C21 | H32 | 120.4° | 120.0° |
| C19 | C20 | H31 | H32 | 118.9° | 120.1° |
| C19 | C20 | C21 | N6 | 84.8° | 180.0° |
| C19 | C20 | C21 | H33 | 35.6° | 60.0° |
| C19 | C20 | C21 | H34 | 154.9° | 60.0° |
| H29 | C19 | C20 | C21 | 43.2° | 63.6° |
| H29 | C19 | C20 | H31 | 163.6° | 176.4° |
| H29 | C19 | C20 | H32 | 77.2° | 56.4° |
| H30 | C19 | C20 | C21 | 75.7° | 56.4° |
| H30 | C19 | C20 | H31 | 44.7° | 63.6° |
| H30 | C19 | C20 | H32 | 163.9° | 176.4° |
| C21 | C20 | H31 | H32 | 118.9° | 120.0° |
| C20 | C21 | N6 | H33 | 120.4° | 120.0° |
| C20 | C21 | N6 | H34 | 120.4° | 120.0° |
| C20 | C21 | H33 | H34 | 118.9° | 119.9° |
| C20 | C21 | N6 | C22 | 165.0° | 180.0° |
| C20 | C21 | N6 | H35 | 15.0° | 0.0° |
| H31 | C20 | C21 | N6 | 154.9° | 60.0° |
| H31 | C20 | C21 | H33 | 84.8° | 179.9° |
| H31 | C20 | C21 | H34 | 34.5° | 60.0° |
| H32 | C20 | C21 | N6 | 35.6° | 60.0° |
| H32 | C20 | C21 | H33 | 156.0° | 60.0° |
| H32 | C20 | C21 | H34 | 84.7° | 180.0° |
| N6 | C21 | H33 | H34 | 118.9° | 120.0° |
| C21 | N6 | C22 | H35 | 180.0° | 179.9° |
| C21 | N6 | C22 | N7 | 2.3° | 0.1° |
| C21 | N6 | C22 | N8 | 178.7° | 180.0° |
| H33 | C21 | N6 | C22 | 74.6° | 59.9° |
| H33 | C21 | N6 | H35 | 105.3° | 120.0° |
| H34 | C21 | N6 | C22 | 44.6° | 60.1° |
| H34 | C21 | N6 | H35 | 135.4° | 120.0° |
| N6 | C22 | N7 | N8 | 179.0° | 179.9° |
| N6 | C22 | N7 | H36 | 179.0° | 0.1° |
| N6 | C22 | N7 | H37 | 1.0° | 179.9° |
| N6 | C22 | N8 | H38 | 179.0° | 180.0° |
| N6 | C22 | N8 | H39 | 1.0° | 0.1° |
| H35 | N6 | C22 | N7 | 177.7° | 180.0° |
| H35 | N6 | C22 | N8 | 1.3° | 0.1° |
| C22 | N7 | H36 | H37 | 180.0° | 180.0° |
| N7 | C22 | N8 | H38 | 0.0° | 0.1° |
| N7 | C22 | N8 | H39 | 180.0° | 180.0° |
| N8 | C22 | N7 | H36 | 0.0° | 180.0° |
| N8 | C22 | N7 | H37 | 180.0° | 0.1° |
| C22 | N8 | H38 | H39 | 180.0° | 179.9° |
| C23 | N9 | H40 | C18 | 180.0° | 179.6° |
| N9 | C23 | C24 | H41 | 120.2° | 120.1° |
| N9 | C23 | C24 | H42 | 120.3° | 119.9° |
| N9 | C23 | H41 | H42 | 119.2° | 119.9° |
| N9 | C23 | C24 | O9 | 151.5° | 86.9° |
| N9 | C23 | C24 | N10 | 25.4° | 92.8° |
| H40 | N9 | C23 | C24 | 42.6° | 90.0° |
| H40 | N9 | C23 | H41 | 77.7° | 30.3° |
| H40 | N9 | C23 | H42 | 162.8° | 150.1° |
| C24 | C23 | H41 | H42 | 119.2° | 120.1° |
| C23 | C24 | O9 | N10 | 176.7° | 179.7° |
| C23 | C24 | N10 | C25 | 171.4° | 178.1° |
| C23 | C24 | N10 | H43 | 8.5° | 1.8° |
| C24 | C23 | N9 | C18 | 137.5° | 89.7° |
| H41 | C23 | C24 | O9 | 31.3° | 153.0° |
| H41 | C23 | N9 | C18 | 102.3° | 150.1° |
| H41 | C23 | C24 | N10 | 145.7° | 27.3° |
| H42 | C23 | C24 | O9 | 88.2° | 33.0° |
| H42 | C23 | N9 | C18 | 17.2° | 30.3° |
| H42 | C23 | C24 | N10 | 94.9° | 147.3° |
| O9 | C24 | N10 | C25 | 11.7° | 2.2° |
| O9 | C24 | N10 | H43 | 168.3° | 177.9° |
| C25 | N10 | H43 | C24 | 180.0° | 179.8° |
| N10 | C25 | C26 | C27 | 124.1° | 120.1° |
| N10 | C25 | C26 | H44 | 119.3° | 120.0° |
| N10 | C25 | C27 | H44 | 117.1° | 120.3° |
| N10 | C25 | C26 | O10 | 170.8° | 55.0° |
| N10 | C25 | C27 | S2 | 150.2° | 80.0° |
| N10 | C25 | C27 | H45 | 29.8° | 40.4° |
| N10 | C25 | C27 | H46 | 89.3° | 160.4° |
| N10 | C25 | C26 | N11 | 11.3° | 124.9° |
| H43 | N10 | C25 | C26 | 85.0° | 63.3° |
| H43 | N10 | C25 | C27 | 39.7° | 56.4° |
| H43 | N10 | C25 | H44 | 156.3° | 176.8° |
| C26 | C25 | C27 | H44 | 116.5° | 119.8° |
| C25 | C26 | O10 | N11 | 177.8° | 179.9° |
| C26 | C25 | C27 | S2 | 83.4° | 160.1° |
| C26 | C25 | C27 | H45 | 156.1° | 79.5° |
| C26 | C25 | C27 | H46 | 37.0° | 40.5° |
| C25 | C26 | N11 | C28 | 179.8° | 177.5° |
| C25 | C26 | N11 | H47 | 0.2° | 2.1° |
| C26 | C25 | N10 | C24 | 95.0° | 116.5° |
| C27 | C25 | C26 | O10 | 46.7° | 65.1° |
| C25 | C27 | S2 | H45 | 120.5° | 120.6° |
| C25 | C27 | S2 | H46 | 120.5° | 119.6° |
| C25 | C27 | H45 | H46 | 118.7° | 119.9° |
| C27 | C25 | N10 | C24 | 140.3° | 123.7° |
| C27 | C25 | C26 | N11 | 135.4° | 115.0° |
| C25 | C27 | S2 | C74 | 113.1° | 169.3° |
| H44 | C25 | C26 | O10 | 69.9° | 175.0° |
| H44 | C25 | C27 | S2 | 33.1° | 40.3° |
| H44 | C25 | C27 | H45 | 87.4° | 160.7° |
| H44 | C25 | C27 | H46 | 153.5° | 79.3° |
| H44 | C25 | N10 | C24 | 23.7° | 3.4° |
| H44 | C25 | C26 | N11 | 108.0° | 4.9° |
| O10 | C26 | N11 | C28 | 2.0° | 2.5° |
| O10 | C26 | N11 | H47 | 178.1° | 177.8° |
| S2 | C27 | H45 | H46 | 118.6° | 119.7° |
| C27 | S2 | C74 | C71 | 90.9° | 155.1° |
| C27 | S2 | C74 | H118 | 148.8° | 85.0° |
| C27 | S2 | C74 | H119 | 29.5° | 34.6° |
| H45 | C27 | S2 | C74 | 7.4° | 48.8° |
| H46 | C27 | S2 | C74 | 126.5° | 71.0° |
| C28 | N11 | H47 | C26 | 180.0° | 179.7° |
| N11 | C28 | C29 | C30 | 123.4° | 119.6° |
| N11 | C28 | C29 | H48 | 119.2° | 120.4° |
| N11 | C28 | C30 | H48 | 119.1° | 120.4° |
| N11 | C28 | C29 | O11 | 51.8° | 106.9° |
| N11 | C28 | C30 | C31 | 58.6° | 174.1° |
| N11 | C28 | C30 | H49 | 62.3° | 54.0° |
| N11 | C28 | C30 | H50 | 179.4° | 66.0° |
| N11 | C28 | C29 | N12 | 127.7° | 73.3° |
| H47 | N11 | C28 | C29 | 99.8° | 16.6° |
| H47 | N11 | C28 | C30 | 22.8° | 102.8° |
| H47 | N11 | C28 | H48 | 141.4° | 136.9° |
| C29 | C28 | C30 | H48 | 117.4° | 120.2° |
| C28 | C29 | O11 | N12 | 179.4° | 179.8° |
| C29 | C28 | C30 | C31 | 178.0° | 66.6° |
| C29 | C28 | C30 | H49 | 61.1° | 173.4° |
| C29 | C28 | C30 | H50 | 57.1° | 53.3° |
| C28 | C29 | N12 | C33 | 167.1° | 173.1° |
| C28 | C29 | N12 | H54 | 12.9° | 7.1° |
| C29 | C28 | N11 | C26 | 80.2° | 163.1° |
| C30 | C28 | C29 | O11 | 71.7° | 12.7° |
| C28 | C30 | C31 | H49 | 120.9° | 120.0° |
| C28 | C30 | C31 | H50 | 120.9° | 120.0° |
| C28 | C30 | H49 | H50 | 117.4° | 120.0° |
| C28 | C30 | C31 | C32 | 89.2° | 175.5° |
| C28 | C30 | C31 | H51 | 150.1° | 55.5° |
| C28 | C30 | C31 | H52 | 31.6° | 64.5° |
| C30 | C28 | N11 | C26 | 157.1° | 77.5° |
| C30 | C28 | C29 | N12 | 108.9° | 167.1° |
| H48 | C28 | C29 | O11 | 171.0° | 132.8° |
| H48 | C28 | C30 | C31 | 60.6° | 53.6° |
| H48 | C28 | C30 | H49 | 178.6° | 66.4° |
| H48 | C28 | C30 | H50 | 60.3° | 173.6° |
| H48 | C28 | N11 | C26 | 38.5° | 42.7° |
| H48 | C28 | C29 | N12 | 8.5° | 47.0° |
| O11 | C29 | N12 | C33 | 13.5° | 7.1° |
| O11 | C29 | N12 | H54 | 166.5° | 172.7° |
| C31 | C30 | H49 | H50 | 117.4° | 120.0° |
| C30 | C31 | C32 | H51 | 120.8° | 120.0° |
| C30 | C31 | C32 | H52 | 120.8° | 119.9° |
| C30 | C31 | H51 | H52 | 117.6° | 120.0° |
| C30 | C31 | C32 | O12 | 170.0° | 0.1° |
| C30 | C31 | C32 | O13 | 9.2° | 180.0° |
| H49 | C30 | C31 | C32 | 31.7° | 64.4° |
| H49 | C30 | C31 | H51 | 89.1° | 175.5° |
| H49 | C30 | C31 | H52 | 152.5° | 55.5° |
| H50 | C30 | C31 | C32 | 150.0° | 55.6° |
| H50 | C30 | C31 | H51 | 29.2° | 64.5° |
| H50 | C30 | C31 | H52 | 89.2° | 175.5° |
| C32 | C31 | H51 | H52 | 117.6° | 120.0° |
| C31 | C32 | O12 | O13 | 179.1° | 179.9° |
| C31 | C32 | O13 | H53 | 179.1° | 180.0° |
| H51 | C31 | C32 | O12 | 49.2° | 120.0° |
| H51 | C31 | C32 | O13 | 129.9° | 60.0° |
| H52 | C31 | C32 | O12 | 69.2° | 120.0° |
| H52 | C31 | C32 | O13 | 111.6° | 60.1° |
| O12 | C32 | O13 | H53 | 0.0° | 0.1° |
| C33 | N12 | H54 | C29 | 180.0° | 179.8° |
| N12 | C33 | C34 | C35 | 122.3° | 119.8° |
| N12 | C33 | C34 | H55 | 119.5° | 120.2° |
| N12 | C33 | C35 | H55 | 117.8° | 119.9° |
| N12 | C33 | C34 | O14 | 131.0° | 3.7° |
| N12 | C33 | C35 | C36 | 177.3° | 55.9° |
| N12 | C33 | C35 | H56 | 56.8° | 175.9° |
| N12 | C33 | C35 | H57 | 62.2° | 64.1° |
| N12 | C33 | C34 | N14 | 47.7° | 176.7° |
| H54 | N12 | C33 | C34 | 123.6° | 22.1° |
| H54 | N12 | C33 | C35 | 112.5° | 97.9° |
| H54 | N12 | C33 | H55 | 4.7° | 142.3° |
| C34 | C33 | C35 | H55 | 118.2° | 119.9° |
| C33 | C34 | O14 | N14 | 178.7° | 179.6° |
| C34 | C33 | C35 | C36 | 58.7° | 64.3° |
| C34 | C33 | C35 | H56 | 179.2° | 55.6° |
| C34 | C33 | C35 | H57 | 61.8° | 175.6° |
| C33 | C34 | N14 | C37 | 175.0° | 179.7° |
| C33 | C34 | N14 | H60 | 5.0° | 1.2° |
| C34 | C33 | N12 | C29 | 56.3° | 157.7° |
| C35 | C33 | C34 | O14 | 8.7° | 123.6° |
| C33 | C35 | C36 | H56 | 120.5° | 120.0° |
| C33 | C35 | C36 | H57 | 120.5° | 120.0° |
| C33 | C35 | H56 | H57 | 118.4° | 120.0° |
| C33 | C35 | C36 | O15 | 48.8° | 3.9° |
| C33 | C35 | C36 | N13 | 130.4° | 176.2° |
| C35 | C33 | N12 | C29 | 67.6° | 82.3° |
| C35 | C33 | C34 | N14 | 170.0° | 56.8° |
| H55 | C33 | C34 | O14 | 109.5° | 116.5° |
| H55 | C33 | C35 | C36 | 59.5° | 175.8° |
| H55 | C33 | C35 | H56 | 61.0° | 64.2° |
| H55 | C33 | C35 | H57 | 180.0° | 55.7° |
| H55 | C33 | N12 | C29 | 175.3° | 37.5° |
| H55 | C33 | C34 | N14 | 71.8° | 63.1° |
| O14 | C34 | N14 | C37 | 3.7° | 0.7° |
| O14 | C34 | N14 | H60 | 176.3° | 178.4° |
| C36 | C35 | H56 | H57 | 118.5° | 120.0° |
| C35 | C36 | O15 | N13 | 179.2° | 180.0° |
| C35 | C36 | N13 | H58 | 179.2° | 0.0° |
| C35 | C36 | N13 | H59 | 0.8° | 179.9° |
| H56 | C35 | C36 | O15 | 71.7° | 116.1° |
| H56 | C35 | C36 | N13 | 109.1° | 63.9° |
| H57 | C35 | C36 | O15 | 169.3° | 123.9° |
| H57 | C35 | C36 | N13 | 9.9° | 56.2° |
| O15 | C36 | N13 | H58 | 0.0° | 180.0° |
| O15 | C36 | N13 | H59 | 180.0° | 0.1° |
| C36 | N13 | H58 | H59 | 180.0° | 179.9° |
| C37 | N14 | H60 | C34 | 180.0° | 179.2° |
| N14 | C37 | C38 | C39 | 123.2° | 119.4° |
| N14 | C37 | C38 | H61 | 119.9° | 120.2° |
| N14 | C37 | C39 | H61 | 119.8° | 119.6° |
| N14 | C37 | C38 | O16 | 28.5° | 31.6° |
| N14 | C37 | C39 | C40 | 51.3° | 65.0° |
| N14 | C37 | C39 | H62 | 69.6° | 55.0° |
| N14 | C37 | C39 | H63 | 172.2° | 175.0° |
| N14 | C37 | C38 | N18 | 153.0° | 150.4° |
| H60 | N14 | C37 | C38 | 69.8° | 73.4° |
| H60 | N14 | C37 | C39 | 51.6° | 46.9° |
| H60 | N14 | C37 | H61 | 170.7° | 166.5° |
| C38 | C37 | C39 | H61 | 117.1° | 120.3° |
| C37 | C38 | O16 | N18 | 178.4° | 177.9° |
| C38 | C37 | C39 | C40 | 174.4° | 175.0° |
| C38 | C37 | C39 | H62 | 53.5° | 65.0° |
| C38 | C37 | C39 | H63 | 64.7° | 55.0° |
| C37 | C38 | N18 | C43 | 178.2° | 161.8° |
| C37 | C38 | N18 | H73 | 1.9° | 20.1° |
| C38 | C37 | N14 | C34 | 110.2° | 107.4° |
| C39 | C37 | C38 | O16 | 94.7° | 151.1° |
| C37 | C39 | C40 | H62 | 120.9° | 119.9° |
| C37 | C39 | C40 | H63 | 120.9° | 120.0° |
| C37 | C39 | H62 | H63 | 117.2° | 120.0° |
| C37 | C39 | C40 | C41 | 57.4° | 180.0° |
| C37 | C39 | C40 | H64 | 63.2° | 60.0° |
| C37 | C39 | C40 | H65 | 177.9° | 59.9° |
| C39 | C37 | N14 | C34 | 128.4° | 132.3° |
| C39 | C37 | C38 | N18 | 83.8° | 31.0° |
| H61 | C37 | C38 | O16 | 148.4° | 88.5° |
| H61 | C37 | C39 | C40 | 68.5° | 54.7° |
| H61 | C37 | C39 | H62 | 170.6° | 174.7° |
| H61 | C37 | C39 | H63 | 52.4° | 65.4° |
| H61 | C37 | N14 | C34 | 9.3° | 12.7° |
| H61 | C37 | C38 | N18 | 33.1° | 89.4° |
| O16 | C38 | N18 | C43 | 0.4° | 20.3° |
| O16 | C38 | N18 | H73 | 179.6° | 157.8° |
| C40 | C39 | H62 | H63 | 117.2° | 120.0° |
| C39 | C40 | C41 | H64 | 120.6° | 120.0° |
| C39 | C40 | C41 | H65 | 120.6° | 120.0° |
| C39 | C40 | H64 | H65 | 118.2° | 120.0° |
| C39 | C40 | C41 | N15 | 57.8° | 180.0° |
| C39 | C40 | C41 | H66 | 62.5° | 60.0° |
| C39 | C40 | C41 | H67 | 178.1° | 59.9° |
| H62 | C39 | C40 | C41 | 178.3° | 60.0° |
| H62 | C39 | C40 | H64 | 57.7° | 179.9° |
| H62 | C39 | C40 | H65 | 61.2° | 60.0° |
| H63 | C39 | C40 | C41 | 63.5° | 60.0° |
| H63 | C39 | C40 | H64 | 175.9° | 60.0° |
| H63 | C39 | C40 | H65 | 57.0° | 180.0° |
| C41 | C40 | H64 | H65 | 118.2° | 120.0° |
| C40 | C41 | N15 | H66 | 120.3° | 120.0° |
| C40 | C41 | N15 | H67 | 120.3° | 120.0° |
| C40 | C41 | H66 | H67 | 119.2° | 119.9° |
| C40 | C41 | N15 | C42 | 89.7° | 179.9° |
| C40 | C41 | N15 | H68 | 90.3° | 0.1° |
| H64 | C40 | C41 | N15 | 178.4° | 60.0° |
| H64 | C40 | C41 | H66 | 58.1° | 180.0° |
| H64 | C40 | C41 | H67 | 61.4° | 60.1° |
| H65 | C40 | C41 | N15 | 62.8° | 60.0° |
| H65 | C40 | C41 | H66 | 176.9° | 60.1° |
| H65 | C40 | C41 | H67 | 57.5° | 180.0° |
| N15 | C41 | H66 | H67 | 119.2° | 120.1° |
| C41 | N15 | C42 | H68 | 180.0° | 179.8° |
| C41 | N15 | C42 | N16 | 3.0° | 0.1° |
| C41 | N15 | C42 | N17 | 178.4° | 180.0° |
| H66 | C41 | N15 | C42 | 150.0° | 59.9° |
| H66 | C41 | N15 | H68 | 30.0° | 119.9° |
| H67 | C41 | N15 | C42 | 30.5° | 60.1° |
| H67 | C41 | N15 | H68 | 149.5° | 120.1° |
| N15 | C42 | N16 | N17 | 178.6° | 179.9° |
| N15 | C42 | N16 | H69 | 178.6° | 0.1° |
| N15 | C42 | N16 | H70 | 1.4° | 179.9° |
| N15 | C42 | N17 | H71 | 178.6° | 179.9° |
| N15 | C42 | N17 | H72 | 1.4° | 0.1° |
| H68 | N15 | C42 | N16 | 177.0° | 180.0° |
| H68 | N15 | C42 | N17 | 1.6° | 0.2° |
| C42 | N16 | H69 | H70 | 180.0° | 180.0° |
| N16 | C42 | N17 | H71 | 0.0° | 0.1° |
| N16 | C42 | N17 | H72 | 180.0° | 179.9° |
| N17 | C42 | N16 | H69 | 0.0° | 180.0° |
| N17 | C42 | N16 | H70 | 180.0° | 0.1° |
| C42 | N17 | H71 | H72 | 180.0° | 180.0° |
| C43 | N18 | H73 | C38 | 180.0° | 178.3° |
| N18 | C43 | C44 | C45 | 122.6° | 125.5° |
| N18 | C43 | C44 | H74 | 119.5° | 117.3° |
| N18 | C43 | C45 | H74 | 119.1° | 117.8° |
| N18 | C43 | C44 | O17 | 34.7° | 107.0° |
| N18 | C43 | C45 | C46 | 176.1° | 174.0° |
| N18 | C43 | C45 | H75 | 55.9° | 53.9° |
| N18 | C43 | C45 | H76 | 63.6° | 66.0° |
| N18 | C43 | C44 | N20 | 145.7° | 73.1° |
| H73 | N18 | C43 | C44 | 94.9° | 89.2° |
| H73 | N18 | C43 | C45 | 27.7° | 145.9° |
| H73 | N18 | C43 | H74 | 146.1° | 28.0° |
| C44 | C43 | C45 | H74 | 117.9° | 117.0° |
| C43 | C44 | O17 | N20 | 179.5° | 179.9° |
| C44 | C43 | C45 | C46 | 60.8° | 60.9° |
| C44 | C43 | C45 | H75 | 178.9° | 179.1° |
| C44 | C43 | C45 | H76 | 59.4° | 59.1° |
| C43 | C44 | N20 | C54 | 175.7° | 179.9° |
| C43 | C44 | N20 | H83 | 4.3° | 0.1° |
| C44 | C43 | N18 | C38 | 85.1° | 88.9° |
| C45 | C43 | C44 | O17 | 87.9° | 127.5° |
| C43 | C45 | C46 | H75 | 120.3° | 120.0° |
| C43 | C45 | C46 | H76 | 120.3° | 120.0° |
| C43 | C45 | H75 | H76 | 119.1° | 119.9° |
| C43 | C45 | C46 | C47 | 86.4° | 98.9° |
| C43 | C45 | C46 | C48 | 91.1° | 80.8° |
| C45 | C43 | N18 | C38 | 152.3° | 36.0° |
| C45 | C43 | C44 | N20 | 91.7° | 52.4° |
| H74 | C43 | C44 | O17 | 154.2° | 10.3° |
| H74 | C43 | C45 | C46 | 57.0° | 56.1° |
| H74 | C43 | C45 | H75 | 63.2° | 63.9° |
| H74 | C43 | C45 | H76 | 177.3° | 176.2° |
| H74 | C43 | N18 | C38 | 33.8° | 153.9° |
| H74 | C43 | C44 | N20 | 26.2° | 169.6° |
| O17 | C44 | N20 | C54 | 3.9° | 0.0° |
| O17 | C44 | N20 | H83 | 176.1° | 180.0° |
| C46 | C45 | H75 | H76 | 119.0° | 120.1° |
| C45 | C46 | C47 | C48 | 177.9° | 179.7° |
| C45 | C46 | C47 | N19 | 178.7° | 180.0° |
| C45 | C46 | C47 | H77 | 1.2° | 0.0° |
| C45 | C46 | C48 | C49 | 178.6° | 180.0° |
| C45 | C46 | C48 | C50 | 1.5° | 0.1° |
| H75 | C45 | C46 | C47 | 33.9° | 141.1° |
| H75 | C45 | C46 | C48 | 148.6° | 39.2° |
| H76 | C45 | C46 | C47 | 153.3° | 21.1° |
| H76 | C45 | C46 | C48 | 29.2° | 159.2° |
| C46 | C47 | N19 | H77 | 180.0° | 180.0° |
| C47 | C46 | C48 | C49 | 0.7° | 0.3° |
| C47 | C46 | C48 | C50 | 179.4° | 179.8° |
| C46 | C47 | N19 | C49 | 0.7° | 0.2° |
| C46 | C47 | N19 | H78 | 179.3° | 180.0° |
| C48 | C46 | C47 | N19 | 0.8° | 0.3° |
| C48 | C46 | C47 | H77 | 179.1° | 179.7° |
| C46 | C48 | C49 | C50 | 179.9° | 179.9° |
| C46 | C48 | C49 | N19 | 0.2° | 0.2° |
| C46 | C48 | C49 | C51 | 179.6° | 180.0° |
| C46 | C48 | C50 | C52 | 179.5° | 179.9° |
| C46 | C48 | C50 | H79 | 0.5° | 0.1° |
| C47 | N19 | C49 | C48 | 0.3° | 0.0° |
| C47 | N19 | C49 | H78 | 180.0° | 179.8° |
| C47 | N19 | C49 | C51 | 179.9° | 179.8° |
| H77 | C47 | N19 | C49 | 179.3° | 179.8° |
| H77 | C47 | N19 | H78 | 0.8° | 0.0° |
| C48 | C49 | N19 | C51 | 179.8° | 179.8° |
| C48 | C49 | N19 | H78 | 179.7° | 179.8° |
| C49 | C48 | C50 | C52 | 0.4° | 0.1° |
| C49 | C48 | C50 | H79 | 179.6° | 180.0° |
| C48 | C49 | C51 | C53 | 0.0° | 0.0° |
| C48 | C49 | C51 | H80 | 180.0° | 180.0° |
| C50 | C48 | C49 | N19 | 179.9° | 179.9° |
| C50 | C48 | C49 | C51 | 0.3° | 0.0° |
| C48 | C50 | C52 | H79 | 180.0° | 179.9° |
| C48 | C50 | C52 | C53 | 0.3° | 0.0° |
| C48 | C50 | C52 | H81 | 179.7° | 180.0° |
| N19 | C49 | C51 | C53 | 179.8° | 179.8° |
| N19 | C49 | C51 | H80 | 0.1° | 0.2° |
| H78 | N19 | C49 | C51 | 0.1° | 0.0° |
| C49 | C51 | C53 | H80 | 180.0° | 180.0° |
| C49 | C51 | C53 | C52 | 0.2° | 0.1° |
| C49 | C51 | C53 | H82 | 179.8° | 180.0° |
| C50 | C52 | C53 | C51 | 0.0° | 0.1° |
| C50 | C52 | C53 | H81 | 180.0° | 180.0° |
| C50 | C52 | C53 | H82 | 180.0° | 180.0° |
| H79 | C50 | C52 | C53 | 179.7° | 179.9° |
| H79 | C50 | C52 | H81 | 0.3° | 0.1° |
| C51 | C53 | C52 | H82 | 180.0° | 179.9° |
| C51 | C53 | C52 | H81 | 180.0° | 179.9° |
| H80 | C51 | C53 | C52 | 179.9° | 179.9° |
| H80 | C51 | C53 | H82 | 0.1° | 0.0° |
| H81 | C52 | C53 | H82 | 0.0° | 0.0° |
| C54 | N20 | H83 | C44 | 180.0° | 180.0° |
| N20 | C54 | C55 | C56 | 122.9° | 120.3° |
| N20 | C54 | C55 | H84 | 120.0° | 119.9° |
| N20 | C54 | C56 | H84 | 118.7° | 120.1° |
| N20 | C54 | C55 | O18 | 42.3° | 41.4° |
| N20 | C54 | C56 | S3 | 161.8° | 170.7° |
| N20 | C54 | C56 | H85 | 41.2° | 50.8° |
| N20 | C54 | C56 | H86 | 77.6° | 69.3° |
| N20 | C54 | C55 | N21 | 136.8° | 138.7° |
| H83 | N20 | C54 | C55 | 28.9° | 80.0° |
| H83 | N20 | C54 | C56 | 93.6° | 40.1° |
| H83 | N20 | C54 | H84 | 148.2° | 160.1° |
| C55 | C54 | C56 | H84 | 116.9° | 119.8° |
| C54 | C55 | O18 | N21 | 179.0° | 179.9° |
| C55 | C54 | C56 | S3 | 73.8° | 69.3° |
| C55 | C54 | C56 | H85 | 165.6° | 170.8° |
| C55 | C54 | C56 | H86 | 46.7° | 50.7° |
| C54 | C55 | N21 | C57 | 176.7° | 174.8° |
| C54 | C55 | N21 | H87 | 3.3° | 5.1° |
| C55 | C54 | N20 | C44 | 151.1° | 100.0° |
| C56 | C54 | C55 | O18 | 80.6° | 78.9° |
| C54 | C56 | S3 | H85 | 120.6° | 119.8° |
| C54 | C56 | S3 | H86 | 120.6° | 119.9° |
| C54 | C56 | H85 | H86 | 118.2° | 119.9° |
| C56 | C54 | N20 | C44 | 86.4° | 139.9° |
| C56 | C54 | C55 | N21 | 100.3° | 100.9° |
| C54 | C56 | S3 | C72 | 64.1° | 141.6° |
| H84 | C54 | C55 | O18 | 162.3° | 161.3° |
| H84 | C54 | C56 | S3 | 43.1° | 50.5° |
| H84 | C54 | C56 | H85 | 77.5° | 69.4° |
| H84 | C54 | C56 | H86 | 163.7° | 170.5° |
| H84 | C54 | N20 | C44 | 31.8° | 19.9° |
| H84 | C54 | C55 | N21 | 16.8° | 18.8° |
| O18 | C55 | N21 | C57 | 4.2° | 5.4° |
| O18 | C55 | N21 | H87 | 175.7° | 174.7° |
| S3 | C56 | H85 | H86 | 118.2° | 120.2° |
| C56 | S3 | C72 | C67 | 54.1° | 99.8° |
| C56 | S3 | C72 | H114 | 65.5° | 140.2° |
| C56 | S3 | C72 | H115 | 173.7° | 20.3° |
| H85 | C56 | S3 | C72 | 56.5° | 98.6° |
| H86 | C56 | S3 | C72 | 175.4° | 21.7° |
| C57 | N21 | H87 | C55 | 180.0° | 179.9° |
| N21 | C57 | C58 | C59 | 118.7° | 120.0° |
| N21 | C57 | C58 | H88 | 122.8° | 120.0° |
| N21 | C57 | C59 | H88 | 118.7° | 120.1° |
| N21 | C57 | C58 | O19 | 141.3° | 13.5° |
| N21 | C57 | C59 | C60 | 163.2° | 65.0° |
| N21 | C57 | C59 | H89 | 42.2° | 55.0° |
| N21 | C57 | C59 | H90 | 75.9° | 174.9° |
| N21 | C57 | C58 | N23 | 40.3° | 166.6° |
| H87 | N21 | C57 | C58 | 133.0° | 90.7° |
| H87 | N21 | C57 | C59 | 13.6° | 29.3° |
| H87 | N21 | C57 | H88 | 104.6° | 149.3° |
| C58 | C57 | C59 | H88 | 118.6° | 120.0° |
| C57 | C58 | O19 | N23 | 178.3° | 179.9° |
| C58 | C57 | C59 | C60 | 74.1° | 175.0° |
| C58 | C57 | C59 | H89 | 164.9° | 65.0° |
| C58 | C57 | C59 | H90 | 46.8° | 55.0° |
| C57 | C58 | N23 | H100 | 178.4° | 0.0° |
| C57 | C58 | N23 | H101 | 1.6° | 180.0° |
| C58 | C57 | N21 | C55 | 47.0° | 89.4° |
| C59 | C57 | C58 | O19 | 100.0° | 106.5° |
| C57 | C59 | C60 | H89 | 121.0° | 120.0° |
| C57 | C59 | C60 | H90 | 121.0° | 120.0° |
| C57 | C59 | H89 | H90 | 117.0° | 120.0° |
| C57 | C59 | C60 | C61 | 151.2° | NaN° |
| C57 | C59 | C60 | H91 | 88.5° | 60.0° |
| C57 | C59 | C60 | H92 | 31.0° | 60.0° |
| C59 | C57 | N21 | C55 | 166.4° | 150.6° |
| C59 | C57 | C58 | N23 | 78.4° | 73.5° |
| H88 | C57 | C58 | O19 | 18.5° | 133.5° |
| H88 | C57 | C59 | C60 | 44.4° | 55.0° |
| H88 | C57 | C59 | H89 | 76.6° | 175.0° |
| H88 | C57 | C59 | H90 | 165.4° | 65.0° |
| H88 | C57 | N21 | C55 | 75.4° | 30.6° |
| H88 | C57 | C58 | N23 | 163.1° | 46.6° |
| O19 | C58 | N23 | H100 | 0.0° | 180.0° |
| O19 | C58 | N23 | H101 | 180.0° | 0.1° |
| C60 | C59 | H89 | H90 | 117.0° | 120.0° |
| C59 | C60 | C61 | H91 | 120.3° | 120.0° |
| C59 | C60 | C61 | H92 | 120.3° | 120.0° |
| C59 | C60 | H91 | H92 | 119.2° | 120.0° |
| C59 | C60 | C61 | C62 | 88.0° | 180.0° |
| C59 | C60 | C61 | H93 | 151.5° | 60.0° |
| C59 | C60 | C61 | H94 | 32.5° | 60.0° |
| H89 | C59 | C60 | C61 | 30.2° | 60.0° |
| H89 | C59 | C60 | H91 | 150.5° | 180.0° |
| H89 | C59 | C60 | H92 | 90.0° | 60.0° |
| H90 | C59 | C60 | C61 | 87.8° | 60.0° |
| H90 | C59 | C60 | H91 | 32.5° | 60.0° |
| H90 | C59 | C60 | H92 | 151.9° | 180.0° |
| C61 | C60 | H91 | H92 | 119.2° | 120.0° |
| C60 | C61 | C62 | H93 | 120.5° | 120.0° |
| C60 | C61 | C62 | H94 | 120.5° | 120.0° |
| C60 | C61 | H93 | H94 | 118.4° | 120.0° |
| C60 | C61 | C62 | N22 | 70.7° | 180.0° |
| C60 | C61 | C62 | H95 | 169.1° | 60.0° |
| C60 | C61 | C62 | H96 | 49.6° | 60.0° |
| H91 | C60 | C61 | C62 | 32.3° | 60.0° |
| H91 | C60 | C61 | H93 | 88.2° | 180.0° |
| H91 | C60 | C61 | H94 | 152.8° | 60.0° |
| H92 | C60 | C61 | C62 | 151.7° | 60.0° |
| H92 | C60 | C61 | H93 | 31.2° | 60.0° |
| H92 | C60 | C61 | H94 | 87.8° | 180.0° |
| C62 | C61 | H93 | H94 | 118.4° | 120.0° |
| C61 | C62 | N22 | H95 | 120.2° | 120.0° |
| C61 | C62 | N22 | H96 | 120.2° | 120.0° |
| C61 | C62 | H95 | H96 | 119.3° | 120.0° |
| C61 | C62 | N22 | H97 | 180.0° | 60.0° |
| C61 | C62 | N22 | H98 | 60.0° | 180.0° |
| C61 | C62 | N22 | H99 | 60.0° | 60.0° |
| H93 | C61 | C62 | N22 | 49.8° | 60.0° |
| H93 | C61 | C62 | H95 | 70.4° | 180.0° |
| H93 | C61 | C62 | H96 | 170.1° | 60.0° |
| H94 | C61 | C62 | N22 | 168.8° | 60.0° |
| H94 | C61 | C62 | H95 | 48.6° | 60.1° |
| H94 | C61 | C62 | H96 | 71.0° | 179.9° |
| N22 | C62 | H95 | H96 | 119.3° | 120.0° |
| C62 | N22 | H97 | H98 | 120.0° | 120.0° |
| C62 | N22 | H97 | H99 | 120.0° | 120.0° |
| C62 | N22 | H98 | H99 | 120.0° | 120.0° |
| H95 | C62 | N22 | H97 | 59.7° | 60.0° |
| H95 | C62 | N22 | H98 | 179.8° | 60.0° |
| H95 | C62 | N22 | H99 | 60.3° | 180.0° |
| H96 | C62 | N22 | H97 | 59.8° | 180.0° |
| H96 | C62 | N22 | H98 | 60.2° | 60.1° |
| H96 | C62 | N22 | H99 | 179.8° | 60.0° |
| H97 | N22 | H98 | H99 | 120.0° | 120.0° |
| H100 | N23 | H101 | C58 | 180.0° | 180.0° |
| C74 | C71 | C70 | O22 | 32.8° | 2.2° |
| C74 | C71 | C70 | H112 | 120.4° | 120.0° |
| C74 | C71 | C70 | H113 | 120.3° | 120.2° |
| C74 | C71 | C70 | N25 | 145.1° | 177.8° |
| C74 | C71 | H112 | H113 | 119.0° | 119.8° |
| C71 | C74 | H118 | H119 | 119.0° | 120.4° |
| C71 | C74 | H118 | S2 | 122.0° | 120.0° |
| C71 | C74 | H119 | S2 | 122.0° | 120.3° |
| O22 | C70 | C71 | N25 | 177.9° | 180.0° |
| O22 | C70 | N25 | C63 | 4.8° | 1.4° |
| O22 | C70 | N25 | C64 | 173.3° | 178.3° |
| O22 | C70 | C71 | H112 | 153.1° | 117.8° |
| O22 | C70 | C71 | H113 | 87.6° | 122.4° |
| C71 | C70 | N25 | C63 | 177.2° | 178.6° |
| C71 | C70 | N25 | C64 | 8.8° | 1.7° |
| C70 | C71 | H112 | H113 | 119.0° | 119.8° |
| C70 | C71 | C74 | H118 | 70.2° | 140.9° |
| C70 | C71 | C74 | H119 | 170.5° | 20.9° |
| C70 | C71 | C74 | S2 | 50.2° | 99.3° |
| C70 | N25 | C63 | C64 | 169.7° | 179.7° |
| C70 | N25 | C63 | N24 | 102.4° | 139.1° |
| C70 | N25 | C64 | N26 | 102.6° | 134.9° |
| C70 | N25 | C63 | H102 | 16.8° | 100.7° |
| C70 | N25 | C63 | H103 | 138.4° | 19.2° |
| C70 | N25 | C64 | H104 | 138.5° | 105.1° |
| C70 | N25 | C64 | H105 | 16.3° | 14.8° |
| N25 | C70 | C71 | H112 | 24.8° | 62.1° |
| N25 | C70 | C71 | H113 | 94.5° | 57.6° |
| C72 | C67 | C66 | H108 | 120.0° | 119.8° |
| C72 | C67 | C66 | H109 | 120.0° | 120.6° |
| C72 | C67 | C66 | N24 | 171.2° | 97.1° |
| C72 | C67 | C66 | O20 | 7.7° | 82.9° |
| C72 | C67 | H108 | H109 | 120.1° | 120.0° |
| C67 | C72 | H114 | H115 | 121.1° | 120.0° |
| C67 | C72 | H114 | S3 | 117.7° | 119.9° |
| C67 | C72 | H115 | S3 | 117.7° | 120.0° |
| C67 | C66 | N24 | C63 | 1.8° | 0.4° |
| C67 | C66 | N24 | O20 | 178.9° | 180.0° |
| C67 | C66 | N24 | C65 | 178.8° | 180.0° |
| C66 | C67 | H108 | H109 | 120.0° | 119.9° |
| C66 | C67 | C72 | H114 | 56.2° | 35.4° |
| C66 | C67 | C72 | H115 | 64.6° | 84.5° |
| C66 | C67 | C72 | S3 | 175.8° | 155.4° |
| N25 | C63 | N24 | H102 | 119.2° | 120.2° |
| N25 | C63 | N24 | H103 | 119.2° | 120.0° |
| N25 | C63 | N24 | C66 | 119.9° | 173.4° |
| N25 | C63 | N24 | C65 | 57.2° | 6.9° |
| C63 | N25 | C64 | N26 | 66.5° | 45.4° |
| N25 | C63 | H102 | H103 | 122.2° | 119.9° |
| C63 | N25 | C64 | H104 | 52.4° | 74.6° |
| C63 | N25 | C64 | H105 | 174.6° | 165.5° |
| C64 | N25 | C63 | N24 | 67.3° | 41.2° |
| N25 | C64 | N26 | H104 | 118.9° | 119.9° |
| N25 | C64 | N26 | H105 | 118.9° | 120.3° |
| N25 | C64 | N26 | C65 | 56.6° | 1.4° |
| N25 | C64 | N26 | C68 | 117.4° | 177.9° |
| C64 | N25 | C63 | H102 | 173.4° | 79.0° |
| C64 | N25 | C63 | H103 | 51.9° | 161.1° |
| N25 | C64 | H104 | H105 | 123.2° | 120.0° |
| C63 | N24 | C66 | C65 | 176.9° | 179.7° |
| C63 | N24 | C66 | O20 | 179.2° | 179.6° |
| C63 | N24 | C65 | N26 | 51.4° | 44.9° |
| N24 | C63 | H102 | H103 | 122.3° | 119.7° |
| C63 | N24 | C65 | H106 | 171.4° | 75.0° |
| C63 | N24 | C65 | H107 | 68.6° | 165.4° |
| C66 | N24 | C65 | N26 | 125.8° | 135.4° |
| C66 | N24 | C63 | H102 | 0.6° | 53.2° |
| C66 | N24 | C63 | H103 | 120.9° | 66.6° |
| C66 | N24 | C65 | H106 | 5.8° | 104.7° |
| C66 | N24 | C65 | H107 | 114.2° | 14.9° |
| N24 | C66 | C67 | H108 | 51.2° | 143.1° |
| N24 | C66 | C67 | H109 | 68.8° | 23.5° |
| O20 | C66 | N24 | C65 | 2.3° | 0.1° |
| O20 | C66 | C67 | H108 | 127.7° | 36.9° |
| O20 | C66 | C67 | H109 | 112.3° | 156.5° |
| N24 | C65 | N26 | C64 | 51.4° | 40.1° |
| N24 | C65 | N26 | H106 | 120.0° | 119.9° |
| N24 | C65 | N26 | H107 | 120.0° | 120.5° |
| N24 | C65 | N26 | C68 | 123.2° | 140.6° |
| C65 | N24 | C63 | H102 | 176.5° | 127.1° |
| C65 | N24 | C63 | H103 | 62.0° | 113.1° |
| N24 | C65 | H106 | H107 | 120.0° | 119.8° |
| C64 | N26 | C65 | C68 | 174.6° | 179.2° |
| C64 | N26 | C68 | C69 | 6.5° | 3.5° |
| C64 | N26 | C68 | O21 | 176.6° | 176.9° |
| N26 | C64 | H104 | H105 | 123.2° | 119.7° |
| C64 | N26 | C65 | H106 | 171.4° | 79.8° |
| C64 | N26 | C65 | H107 | 68.6° | 160.6° |
| C73 | C69 | C68 | N26 | 144.3° | 138.8° |
| C73 | C69 | C68 | H110 | 120.4° | 120.1° |
| C73 | C69 | C68 | H111 | 120.4° | 120.0° |
| C73 | C69 | C68 | O21 | 38.8° | 41.6° |
| C73 | C69 | H110 | H111 | 118.9° | 119.7° |
| C69 | C73 | H116 | H117 | 121.2° | 120.2° |
| C69 | C73 | H116 | S1 | 117.6° | 119.8° |
| C69 | C73 | H117 | S1 | 117.7° | 120.0° |
| C65 | N26 | C68 | C69 | 179.7° | 175.7° |
| C65 | N26 | C68 | O21 | 2.8° | 3.9° |
| C65 | N26 | C64 | H104 | 62.3° | 118.6° |
| C65 | N26 | C64 | H105 | 175.5° | 121.7° |
| N26 | C65 | H106 | H107 | 120.0° | 119.9° |
| N26 | C68 | C69 | O21 | 176.9° | 179.6° |
| C68 | N26 | C64 | H104 | 123.7° | 62.2° |
| C68 | N26 | C64 | H105 | 1.5° | 57.5° |
| C68 | N26 | C65 | H106 | 3.2° | 99.5° |
| C68 | N26 | C65 | H107 | 116.8° | 20.1° |
| N26 | C68 | C69 | H110 | 24.0° | 18.7° |
| N26 | C68 | C69 | H111 | 95.3° | 101.2° |
| C68 | C69 | H110 | H111 | 118.8° | 119.9° |
| C68 | C69 | C73 | H116 | 32.0° | 106.3° |
| C68 | C69 | C73 | H117 | 152.7° | 13.9° |
| C68 | C69 | C73 | S1 | 87.6° | 133.9° |
| O21 | C68 | C69 | H110 | 159.1° | 161.7° |
| O21 | C68 | C69 | H111 | 81.6° | 78.4° |
| H108 | C67 | C72 | H114 | 63.8° | 84.3° |
| H108 | C67 | C72 | H115 | 175.4° | 155.8° |
| H108 | C67 | C72 | S3 | 55.8° | 35.7° |
| H109 | C67 | C72 | H114 | 176.2° | 156.0° |
| H109 | C67 | C72 | H115 | 55.4° | 36.1° |
| H109 | C67 | C72 | S3 | 64.2° | 84.0° |
| H110 | C69 | C73 | H116 | 152.3° | 14.1° |
| H110 | C69 | C73 | H117 | 86.9° | 134.3° |
| H110 | C69 | C73 | S1 | 32.7° | 105.7° |
| H111 | C69 | C73 | H116 | 88.4° | 133.8° |
| H111 | C69 | C73 | H117 | 32.4° | 106.1° |
| H111 | C69 | C73 | S1 | 152.0° | 14.0° |
| H112 | C71 | C74 | H118 | 169.5° | 20.8° |
| H112 | C71 | C74 | H119 | 50.1° | 99.2° |
| H112 | C71 | C74 | S2 | 70.2° | 140.6° |
| H113 | C71 | C74 | H118 | 50.2° | 98.9° |
| H113 | C71 | C74 | H119 | 69.2° | 141.1° |
| H113 | C71 | C74 | S2 | 170.5° | 20.9° |
| H114 | C72 | H115 | S3 | 121.2° | 120.0° |
| H116 | C73 | H117 | S1 | 121.2° | 119.9° |
| H118 | C74 | H119 | S2 | 119.0° | 119.6° |
