PRD_002365
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.33Å | 1.37Å | |
| C5 | C6 | sing | 1.47Å | 1.44Å | |
| C5 | C7 | doub | 1.35Å | 1.35Å | |
| C6 | O2 | doub | 1.22Å | 1.21Å | |
| C7 | S1 | sing | 1.71Å | 1.69Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N3 | C8 | sing | 1.46Å | 1.45Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | C11 | sing | 1.46Å | 1.45Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | C16 | sing | 1.37Å | 1.33Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | N6 | sing | 1.33Å | 1.32Å | |
| C16 | N7 | doub | 1.33Å | 1.32Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | C17 | sing | 1.34Å | 1.37Å | |
| C17 | C18 | sing | 1.47Å | 1.45Å | |
| C17 | C19 | doub | 1.35Å | 1.35Å | |
| C18 | O4 | doub | 1.22Å | 1.20Å | |
| C19 | S2 | sing | 1.71Å | 1.68Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| N9 | C20 | sing | 1.46Å | 1.45Å | |
| N9 | H29 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.22Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.25Å | |
| C23 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å | |
| N10 | C24 | sing | 1.46Å | 1.46Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | O8 | sing | 1.43Å | 1.41Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| O8 | H38 | sing | 0.97Å | 0.95Å | |
| C27 | O9 | doub | 1.22Å | 1.20Å | |
| C27 | C28 | sing | 1.47Å | 1.46Å | |
| C28 | N11 | sing | 1.36Å | 1.36Å | |
| C28 | C29 | doub | 1.36Å | 1.32Å | |
| C29 | O10 | sing | 1.34Å | 1.35Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| N12 | C30 | sing | 1.47Å | 1.45Å | |
| N12 | H40 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | O11 | doub | 1.21Å | 1.22Å | |
| C32 | O12 | sing | 1.43Å | 1.41Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| O12 | H44 | sing | 0.97Å | 0.95Å | |
| N13 | C33 | sing | 1.47Å | 1.45Å | |
| N13 | H45 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | N14 | sing | 1.46Å | 1.46Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| N14 | C38 | sing | 1.37Å | 1.33Å | |
| N14 | H53 | sing | 0.97Å | 1.00Å | |
| C38 | N15 | sing | 1.33Å | 1.32Å | |
| C38 | N16 | doub | 1.33Å | 1.32Å | |
| N15 | H54 | sing | 0.97Å | 1.00Å | |
| N15 | H55 | sing | 0.97Å | 1.00Å | |
| N16 | H56 | sing | 0.97Å | 1.00Å | |
| N16 | H57 | sing | 0.97Å | 1.00Å | |
| N17 | C39 | sing | 1.34Å | 1.36Å | |
| C39 | C40 | sing | 1.47Å | 1.44Å | |
| C39 | C41 | doub | 1.35Å | 1.34Å | |
| C40 | O13 | doub | 1.22Å | 1.21Å | |
| C41 | S3 | sing | 1.71Å | 1.68Å | |
| C41 | H58 | sing | 1.08Å | 1.08Å | |
| N18 | C42 | sing | 1.47Å | 1.45Å | |
| N18 | H59 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C43 | O14 | doub | 1.21Å | 1.23Å | |
| N19 | C44 | sing | 1.46Å | 1.46Å | |
| N19 | H62 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| C44 | C46 | sing | 1.53Å | 1.51Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| C46 | H64 | sing | 1.09Å | 1.10Å | |
| C46 | H65 | sing | 1.09Å | 1.10Å | |
| C46 | H66 | sing | 1.09Å | 1.10Å | |
| C47 | O15 | doub | 1.22Å | 1.20Å | |
| C47 | C48 | sing | 1.47Å | 1.45Å | |
| C48 | N20 | sing | 1.36Å | 1.36Å | |
| C48 | C49 | doub | 1.36Å | 1.32Å | |
| C49 | O16 | sing | 1.34Å | 1.35Å | |
| C49 | H67 | sing | 1.08Å | 1.08Å | |
| N21 | C50 | sing | 1.47Å | 1.45Å | |
| N21 | H68 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.51Å | |
| C50 | H69 | sing | 1.09Å | 1.10Å | |
| C50 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | O17 | doub | 1.21Å | 1.22Å | |
| N22 | C52 | sing | 1.47Å | 1.45Å | |
| N22 | H71 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C52 | C54 | sing | 1.53Å | 1.53Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.53Å | 1.50Å | |
| C54 | H73 | sing | 1.09Å | 1.10Å | |
| C54 | H74 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | sing | 1.53Å | 1.50Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | sing | 1.53Å | 1.51Å | |
| C56 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | N23 | sing | 1.47Å | 1.48Å | |
| C57 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| N23 | H81 | sing | 1.01Å | 1.00Å | |
| N23 | H82 | sing | 1.01Å | 1.00Å | |
| N23 | H83 | sing | 1.01Å | 1.00Å | |
| C58 | O18 | doub | 1.22Å | 1.20Å | |
| C58 | C59 | sing | 1.47Å | 1.46Å | |
| C59 | N24 | sing | 1.36Å | 1.36Å | |
| C59 | C60 | doub | 1.36Å | 1.32Å | |
| C60 | O19 | sing | 1.34Å | 1.35Å | |
| C60 | H84 | sing | 1.08Å | 1.08Å | |
| N25 | C61 | sing | 1.46Å | 1.46Å | |
| N25 | H85 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C61 | C63 | sing | 1.53Å | 1.53Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | O20 | doub | 1.21Å | 1.23Å | |
| C63 | O21 | sing | 1.43Å | 1.41Å | |
| C63 | H87 | sing | 1.09Å | 1.10Å | |
| C63 | H88 | sing | 1.09Å | 1.10Å | |
| O21 | H89 | sing | 0.97Å | 0.95Å | |
| N26 | C64 | sing | 1.47Å | 1.45Å | |
| N26 | H90 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.51Å | |
| C64 | H91 | sing | 1.09Å | 1.10Å | |
| C64 | H92 | sing | 1.09Å | 1.10Å | |
| C66 | O22 | doub | 1.22Å | 1.20Å | |
| C66 | C67 | sing | 1.47Å | 1.45Å | |
| C67 | N27 | sing | 1.36Å | 1.36Å | |
| C67 | C68 | doub | 1.36Å | 1.31Å | |
| C68 | O23 | sing | 1.34Å | 1.34Å | |
| C68 | H93 | sing | 1.08Å | 1.08Å | |
| N28 | C69 | sing | 1.46Å | 1.46Å | |
| N28 | H94 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 1.51Å | |
| C69 | C71 | sing | 1.53Å | 1.51Å | |
| C69 | H95 | sing | 1.09Å | 1.10Å | |
| C70 | O24 | doub | 1.21Å | 1.21Å | |
| C71 | H96 | sing | 1.09Å | 1.10Å | |
| C71 | H97 | sing | 1.09Å | 1.10Å | |
| C71 | H98 | sing | 1.09Å | 1.10Å | |
| N29 | C72 | sing | 1.47Å | 1.46Å | |
| N29 | H99 | sing | 0.97Å | 1.00Å | |
| C72 | C73 | sing | 1.51Å | 1.53Å | |
| C72 | C74 | sing | 1.53Å | 1.53Å | |
| C72 | H100 | sing | 1.09Å | 1.10Å | |
| C73 | O25 | doub | 1.21Å | 1.23Å | |
| C73 | O27 | sing | 1.34Å | 204.13Å | |
| C74 | O26 | sing | 1.43Å | 1.41Å | |
| C74 | H101 | sing | 1.09Å | 1.10Å | |
| C74 | H102 | sing | 1.09Å | 1.10Å | |
| O26 | H103 | sing | 0.97Å | 0.95Å | |
| O27 | H104 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | doub | 1.29Å | 1.30Å | |
| C2 | S1 | sing | 1.71Å | 1.71Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C9 | N4 | sing | 1.35Å | 1.32Å | |
| C12 | N8 | doub | 1.29Å | 1.29Å | |
| C12 | S2 | sing | 1.71Å | 1.71Å | |
| C18 | N9 | sing | 1.35Å | 1.33Å | |
| C21 | N10 | sing | 1.35Å | 1.33Å | |
| C25 | N11 | doub | 1.30Å | 1.30Å | |
| C25 | O10 | sing | 1.34Å | 1.33Å | |
| C27 | N12 | sing | 1.35Å | 1.34Å | |
| C31 | N13 | sing | 1.35Å | 1.32Å | |
| C34 | N17 | doub | 1.29Å | 1.29Å | |
| C34 | S3 | sing | 1.71Å | 1.70Å | |
| C40 | N18 | sing | 1.35Å | 1.35Å | |
| C43 | N19 | sing | 1.35Å | 1.33Å | |
| C45 | N20 | doub | 1.30Å | 1.29Å | |
| C45 | O16 | sing | 1.34Å | 1.33Å | |
| C47 | N21 | sing | 1.35Å | 1.34Å | |
| C51 | N22 | sing | 1.35Å | 1.33Å | |
| C53 | N24 | doub | 1.30Å | 1.29Å | |
| C53 | O19 | sing | 1.34Å | 1.33Å | |
| C58 | N25 | sing | 1.35Å | 1.34Å | |
| C62 | N26 | sing | 1.35Å | 1.33Å | |
| C65 | N27 | doub | 1.30Å | 1.30Å | |
| C65 | O23 | sing | 1.34Å | 1.33Å | |
| C66 | N28 | sing | 1.35Å | 1.34Å | |
| C70 | N29 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 111.0° | 109.5° |
| N1 | C1 | C3 | 111.9° | 109.5° |
| N1 | C1 | H3 | 109.0° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 109.0° | 109.5° |
| C2 | C1 | H3 | 108.1° | 109.5° |
| C1 | C2 | N2 | 123.1° | 124.7° |
| C1 | C2 | S1 | 122.5° | 124.7° |
| C3 | C1 | H3 | 107.8° | 109.4° |
| C1 | C3 | O1 | 109.9° | 109.5° |
| C1 | C3 | C4 | 111.1° | 109.5° |
| C1 | C3 | H4 | 108.3° | 109.5° |
| O1 | C3 | C4 | 109.1° | 109.5° |
| O1 | C3 | H4 | 109.9° | 109.4° |
| C3 | O1 | H5 | 109.5° | 113.9° |
| C4 | C3 | H4 | 108.6° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.4° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.4° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| N2 | C5 | C6 | 120.5° | 123.2° |
| N2 | C5 | C7 | 114.3° | 113.7° |
| C5 | N2 | C2 | 111.0° | 115.8° |
| C6 | C5 | C7 | 125.1° | 123.1° |
| C5 | C6 | O2 | 123.1° | 120.0° |
| C5 | C6 | N3 | 115.7° | 120.0° |
| C5 | C7 | S1 | 110.8° | 108.8° |
| C5 | C7 | H9 | 124.6° | 125.6° |
| O2 | C6 | N3 | 121.3° | 120.0° |
| S1 | C7 | H9 | 124.6° | 125.6° |
| C7 | S1 | C2 | 89.4° | 91.1° |
| C8 | N3 | H10 | 118.3° | 120.0° |
| N3 | C8 | C9 | 109.8° | 109.5° |
| N3 | C8 | C10 | 110.7° | 109.5° |
| N3 | C8 | H11 | 109.2° | 109.5° |
| C8 | N3 | C6 | 123.3° | 120.0° |
| H10 | N3 | C6 | 118.4° | 120.0° |
| C9 | C8 | C10 | 110.3° | 109.5° |
| C9 | C8 | H11 | 108.3° | 109.4° |
| C8 | C9 | O3 | 120.7° | 120.0° |
| C8 | C9 | N4 | 116.6° | 120.0° |
| C10 | C8 | H11 | 108.5° | 109.5° |
| C8 | C10 | H12 | 109.5° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| O3 | C9 | N4 | 122.7° | 120.0° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| C11 | N4 | H15 | 119.7° | 120.0° |
| N4 | C11 | C12 | 111.9° | 109.5° |
| N4 | C11 | C13 | 109.9° | 109.4° |
| N4 | C11 | H16 | 108.7° | 109.5° |
| C11 | N4 | C9 | 120.7° | 120.0° |
| H15 | N4 | C9 | 119.6° | 120.0° |
| C12 | C11 | C13 | 110.7° | 109.5° |
| C12 | C11 | H16 | 107.8° | 109.5° |
| C11 | C12 | N8 | 122.8° | 124.7° |
| C11 | C12 | S2 | 122.6° | 124.7° |
| C13 | C11 | H16 | 107.7° | 109.5° |
| C11 | C13 | C14 | 113.4° | 109.5° |
| C11 | C13 | H17 | 108.5° | 109.4° |
| C11 | C13 | H18 | 108.5° | 109.5° |
| C14 | C13 | H17 | 108.4° | 109.5° |
| C14 | C13 | H18 | 108.5° | 109.5° |
| C13 | C14 | C15 | 112.0° | 109.5° |
| C13 | C14 | H19 | 108.8° | 109.5° |
| C13 | C14 | H20 | 108.8° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| C15 | C14 | H19 | 108.8° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.5° |
| C14 | C15 | N5 | 111.4° | 109.5° |
| C14 | C15 | H21 | 109.0° | 109.5° |
| C14 | C15 | H22 | 109.0° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| N5 | C15 | H21 | 109.0° | 109.5° |
| N5 | C15 | H22 | 109.0° | 109.4° |
| C15 | N5 | C16 | 124.2° | 120.0° |
| C15 | N5 | H23 | 117.9° | 120.0° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| C16 | N5 | H23 | 117.9° | 120.0° |
| N5 | C16 | N6 | 120.0° | 120.0° |
| N5 | C16 | N7 | 120.2° | 120.0° |
| N6 | C16 | N7 | 119.8° | 120.0° |
| C16 | N6 | H24 | 120.0° | 120.1° |
| C16 | N6 | H25 | 120.0° | 120.0° |
| C16 | N7 | H26 | 120.0° | 120.0° |
| C16 | N7 | H27 | 120.0° | 120.0° |
| H24 | N6 | H25 | 120.0° | 119.9° |
| H26 | N7 | H27 | 120.0° | 120.0° |
| N8 | C17 | C18 | 121.2° | 123.1° |
| N8 | C17 | C19 | 114.3° | 113.7° |
| C17 | N8 | C12 | 110.9° | 115.7° |
| C18 | C17 | C19 | 124.5° | 123.2° |
| C17 | C18 | O4 | 124.2° | 120.0° |
| C17 | C18 | N9 | 116.5° | 120.0° |
| C17 | C19 | S2 | 111.2° | 108.8° |
| C17 | C19 | H28 | 124.4° | 125.6° |
| O4 | C18 | N9 | 119.3° | 120.0° |
| S2 | C19 | H28 | 124.4° | 125.6° |
| C19 | S2 | C12 | 89.1° | 91.2° |
| C20 | N9 | H29 | 119.3° | 120.0° |
| N9 | C20 | C21 | 108.2° | 109.5° |
| N9 | C20 | C22 | 110.3° | 109.5° |
| N9 | C20 | H30 | 109.6° | 109.5° |
| C20 | N9 | C18 | 121.4° | 120.0° |
| H29 | N9 | C18 | 119.3° | 120.0° |
| C21 | C20 | C22 | 111.7° | 109.4° |
| C21 | C20 | H30 | 108.6° | 109.4° |
| C20 | C21 | O5 | 120.4° | 120.0° |
| C20 | C21 | N10 | 117.1° | 120.0° |
| C22 | C20 | H30 | 108.5° | 109.5° |
| C20 | C22 | C23 | 113.1° | 109.4° |
| C20 | C22 | H31 | 108.6° | 109.4° |
| C20 | C22 | H32 | 108.5° | 109.5° |
| O5 | C21 | N10 | 122.5° | 120.0° |
| C23 | C22 | H31 | 108.5° | 109.4° |
| C23 | C22 | H32 | 108.5° | 109.5° |
| C22 | C23 | O6 | 118.6° | 120.0° |
| C22 | C23 | O7 | 118.8° | 120.0° |
| H31 | C22 | H32 | 109.5° | 109.5° |
| O6 | C23 | O7 | 122.6° | 120.0° |
| C23 | O7 | H33 | 109.5° | 117.0° |
| C24 | N10 | H34 | 119.0° | 120.0° |
| N10 | C24 | C25 | 109.7° | 109.5° |
| N10 | C24 | C26 | 110.4° | 109.5° |
| N10 | C24 | H35 | 109.1° | 109.5° |
| C24 | N10 | C21 | 122.1° | 120.0° |
| H34 | N10 | C21 | 118.9° | 120.0° |
| C25 | C24 | C26 | 111.1° | 109.5° |
| C25 | C24 | H35 | 108.2° | 109.5° |
| C24 | C25 | N11 | 126.5° | 125.4° |
| C24 | C25 | O10 | 120.1° | 125.4° |
| C26 | C24 | H35 | 108.2° | 109.4° |
| C24 | C26 | O8 | 111.4° | 109.4° |
| C24 | C26 | H36 | 109.0° | 109.5° |
| C24 | C26 | H37 | 109.0° | 109.5° |
| O8 | C26 | H36 | 109.0° | 109.5° |
| O8 | C26 | H37 | 109.0° | 109.4° |
| C26 | O8 | H38 | 109.5° | 114.0° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| O9 | C27 | C28 | 124.2° | 120.0° |
| O9 | C27 | N12 | 124.5° | 120.1° |
| C27 | C28 | N11 | 121.8° | 126.4° |
| C27 | C28 | C29 | 130.8° | 126.4° |
| C28 | C27 | N12 | 111.3° | 120.0° |
| N11 | C28 | C29 | 107.4° | 107.1° |
| C28 | N11 | C25 | 105.8° | 108.5° |
| C28 | C29 | O10 | 110.3° | 106.9° |
| C28 | C29 | H39 | 124.9° | 126.6° |
| O10 | C29 | H39 | 124.9° | 126.5° |
| C29 | O10 | C25 | 103.2° | 108.2° |
| C30 | N12 | H40 | 117.4° | 120.0° |
| N12 | C30 | C31 | 110.9° | 109.5° |
| N12 | C30 | C32 | 110.8° | 109.4° |
| N12 | C30 | H41 | 109.1° | 109.5° |
| C30 | N12 | C27 | 125.2° | 120.0° |
| H40 | N12 | C27 | 117.4° | 120.0° |
| C31 | C30 | C32 | 109.7° | 109.5° |
| C31 | C30 | H41 | 108.2° | 109.5° |
| C30 | C31 | O11 | 120.9° | 120.0° |
| C30 | C31 | N13 | 116.9° | 120.0° |
| C32 | C30 | H41 | 108.1° | 109.5° |
| C30 | C32 | O12 | 112.2° | 109.5° |
| C30 | C32 | H42 | 108.8° | 109.4° |
| C30 | C32 | H43 | 108.8° | 109.5° |
| O11 | C31 | N13 | 122.2° | 120.0° |
| O12 | C32 | H42 | 108.8° | 109.5° |
| O12 | C32 | H43 | 108.8° | 109.5° |
| C32 | O12 | H44 | 109.5° | 114.0° |
| H42 | C32 | H43 | 109.5° | 109.5° |
| C33 | N13 | H45 | 119.6° | 120.0° |
| N13 | C33 | C34 | 109.2° | 109.5° |
| N13 | C33 | C35 | 111.0° | 109.5° |
| N13 | C33 | H46 | 109.4° | 109.5° |
| C33 | N13 | C31 | 120.8° | 120.0° |
| H45 | N13 | C31 | 119.6° | 120.0° |
| C34 | C33 | C35 | 110.2° | 109.5° |
| C34 | C33 | H46 | 108.6° | 109.5° |
| C33 | C34 | N17 | 122.3° | 124.7° |
| C33 | C34 | S3 | 122.5° | 124.8° |
| C35 | C33 | H46 | 108.5° | 109.5° |
| C33 | C35 | C36 | 115.0° | 109.5° |
| C33 | C35 | H47 | 108.1° | 109.5° |
| C33 | C35 | H48 | 108.1° | 109.4° |
| C36 | C35 | H47 | 108.1° | 109.5° |
| C36 | C35 | H48 | 108.1° | 109.5° |
| C35 | C36 | C37 | 112.3° | 109.5° |
| C35 | C36 | H49 | 108.8° | 109.5° |
| C35 | C36 | H50 | 108.8° | 109.5° |
| H47 | C35 | H48 | 109.4° | 109.5° |
| C37 | C36 | H49 | 108.7° | 109.5° |
| C37 | C36 | H50 | 108.7° | 109.4° |
| C36 | C37 | N14 | 112.0° | 109.5° |
| C36 | C37 | H51 | 108.8° | 109.5° |
| C36 | C37 | H52 | 108.8° | 109.4° |
| H49 | C36 | H50 | 109.5° | 109.5° |
| N14 | C37 | H51 | 108.8° | 109.5° |
| N14 | C37 | H52 | 108.8° | 109.5° |
| C37 | N14 | C38 | 124.8° | 120.0° |
| C37 | N14 | H53 | 117.6° | 120.0° |
| H51 | C37 | H52 | 109.5° | 109.5° |
| C38 | N14 | H53 | 117.6° | 120.0° |
| N14 | C38 | N15 | 120.0° | 119.9° |
| N14 | C38 | N16 | 120.3° | 120.1° |
| N15 | C38 | N16 | 119.6° | 120.0° |
| C38 | N15 | H54 | 120.0° | 120.1° |
| C38 | N15 | H55 | 120.0° | 120.0° |
| C38 | N16 | H56 | 120.0° | 120.0° |
| C38 | N16 | H57 | 120.0° | 120.0° |
| H54 | N15 | H55 | 120.0° | 120.0° |
| H56 | N16 | H57 | 120.0° | 120.0° |
| N17 | C39 | C40 | 121.2° | 123.1° |
| N17 | C39 | C41 | 114.1° | 113.7° |
| C39 | N17 | C34 | 110.5° | 115.7° |
| C40 | C39 | C41 | 124.7° | 123.2° |
| C39 | C40 | O13 | 122.5° | 120.0° |
| C39 | C40 | N18 | 116.5° | 120.0° |
| C39 | C41 | S3 | 111.5° | 108.8° |
| C39 | C41 | H58 | 124.2° | 125.6° |
| O13 | C40 | N18 | 121.0° | 120.0° |
| S3 | C41 | H58 | 124.3° | 125.6° |
| C41 | S3 | C34 | 88.6° | 91.2° |
| C42 | N18 | H59 | 118.2° | 120.0° |
| N18 | C42 | C43 | 117.9° | 109.5° |
| N18 | C42 | H60 | 107.3° | 109.5° |
| N18 | C42 | H61 | 107.3° | 109.5° |
| C42 | N18 | C40 | 123.6° | 120.0° |
| H59 | N18 | C40 | 118.2° | 120.0° |
| C43 | C42 | H60 | 107.4° | 109.5° |
| C43 | C42 | H61 | 107.3° | 109.5° |
| C42 | C43 | O14 | 121.4° | 120.0° |
| C42 | C43 | N19 | 115.5° | 120.0° |
| H60 | C42 | H61 | 109.4° | 109.4° |
| O14 | C43 | N19 | 123.0° | 120.1° |
| C44 | N19 | H62 | 118.5° | 120.0° |
| N19 | C44 | C45 | 112.0° | 109.5° |
| N19 | C44 | C46 | 110.3° | 109.5° |
| N19 | C44 | H63 | 108.7° | 109.5° |
| C44 | N19 | C43 | 123.0° | 120.0° |
| H62 | N19 | C43 | 118.5° | 120.0° |
| C45 | C44 | C46 | 109.8° | 109.5° |
| C45 | C44 | H63 | 107.9° | 109.4° |
| C44 | C45 | N20 | 127.0° | 125.4° |
| C44 | C45 | O16 | 119.2° | 125.4° |
| C46 | C44 | H63 | 108.0° | 109.5° |
| C44 | C46 | H64 | 109.5° | 109.5° |
| C44 | C46 | H65 | 109.5° | 109.4° |
| C44 | C46 | H66 | 109.5° | 109.5° |
| H64 | C46 | H65 | 109.5° | 109.5° |
| H64 | C46 | H66 | 109.4° | 109.5° |
| H65 | C46 | H66 | 109.5° | 109.5° |
| O15 | C47 | C48 | 123.5° | 120.0° |
| O15 | C47 | N21 | 125.2° | 120.0° |
| C47 | C48 | N20 | 122.1° | 126.4° |
| C47 | C48 | C49 | 129.9° | 126.4° |
| C48 | C47 | N21 | 111.3° | 120.0° |
| N20 | C48 | C49 | 107.9° | 107.1° |
| C48 | N20 | C45 | 105.0° | 108.4° |
| C48 | C49 | O16 | 110.1° | 107.0° |
| C48 | C49 | H67 | 124.9° | 126.5° |
| O16 | C49 | H67 | 125.0° | 126.5° |
| C49 | O16 | C45 | 103.3° | 108.2° |
| C50 | N21 | H68 | 116.9° | 120.0° |
| N21 | C50 | C51 | 116.7° | 109.4° |
| N21 | C50 | H69 | 107.6° | 109.4° |
| N21 | C50 | H70 | 107.6° | 109.5° |
| C50 | N21 | C47 | 126.2° | 120.0° |
| H68 | N21 | C47 | 116.9° | 120.0° |
| C51 | C50 | H69 | 107.6° | 109.5° |
| C51 | C50 | H70 | 107.6° | 109.5° |
| C50 | C51 | O17 | 120.1° | 120.0° |
| C50 | C51 | N22 | 117.1° | 120.0° |
| H69 | C50 | H70 | 109.5° | 109.4° |
| O17 | C51 | N22 | 122.9° | 120.0° |
| C52 | N22 | H71 | 119.5° | 119.9° |
| N22 | C52 | C53 | 109.8° | 109.5° |
| N22 | C52 | C54 | 111.7° | 109.5° |
| N22 | C52 | H72 | 109.0° | 109.5° |
| C52 | N22 | C51 | 121.1° | 120.0° |
| H71 | N22 | C51 | 119.4° | 120.0° |
| C53 | C52 | C54 | 110.0° | 109.4° |
| C53 | C52 | H72 | 108.2° | 109.5° |
| C52 | C53 | N24 | 127.9° | 125.3° |
| C52 | C53 | O19 | 117.9° | 125.4° |
| C54 | C52 | H72 | 108.0° | 109.5° |
| C52 | C54 | C55 | 114.9° | 109.4° |
| C52 | C54 | H73 | 108.1° | 109.5° |
| C52 | C54 | H74 | 108.1° | 109.5° |
| C55 | C54 | H73 | 108.1° | 109.5° |
| C55 | C54 | H74 | 108.1° | 109.5° |
| C54 | C55 | C56 | 110.6° | 109.4° |
| C54 | C55 | H75 | 109.1° | 109.5° |
| C54 | C55 | H76 | 109.2° | 109.5° |
| H73 | C54 | H74 | 109.5° | 109.5° |
| C56 | C55 | H75 | 109.2° | 109.5° |
| C56 | C55 | H76 | 109.2° | 109.5° |
| C55 | C56 | C57 | 110.6° | 109.5° |
| C55 | C56 | H77 | 109.2° | 109.5° |
| C55 | C56 | H78 | 109.2° | 109.5° |
| H75 | C55 | H76 | 109.5° | 109.5° |
| C57 | C56 | H77 | 109.2° | 109.5° |
| C57 | C56 | H78 | 109.2° | 109.4° |
| C56 | C57 | N23 | 111.6° | 109.5° |
| C56 | C57 | H79 | 108.9° | 109.5° |
| C56 | C57 | H80 | 108.9° | 109.5° |
| H77 | C56 | H78 | 109.5° | 109.5° |
| N23 | C57 | H79 | 108.9° | 109.5° |
| N23 | C57 | H80 | 108.9° | 109.4° |
| C57 | N23 | H81 | 109.5° | 109.5° |
| C57 | N23 | H82 | 109.5° | 109.5° |
| C57 | N23 | H83 | 109.5° | 109.5° |
| H79 | C57 | H80 | 109.4° | 109.5° |
| H81 | N23 | H82 | 109.4° | 109.5° |
| H81 | N23 | H83 | 109.4° | 109.5° |
| H82 | N23 | H83 | 109.5° | 109.4° |
| O18 | C58 | C59 | 122.7° | 120.0° |
| O18 | C58 | N25 | 123.9° | 119.9° |
| C58 | C59 | N24 | 123.3° | 126.4° |
| C58 | C59 | C60 | 129.1° | 126.5° |
| C59 | C58 | N25 | 113.4° | 120.0° |
| N24 | C59 | C60 | 107.5° | 107.1° |
| C59 | N24 | C53 | 105.0° | 108.4° |
| C59 | C60 | O19 | 110.3° | 106.9° |
| C59 | C60 | H84 | 124.9° | 126.6° |
| O19 | C60 | H84 | 124.8° | 126.5° |
| C60 | O19 | C53 | 103.0° | 108.2° |
| C61 | N25 | H85 | 118.2° | 120.0° |
| N25 | C61 | C62 | 115.2° | 109.5° |
| N25 | C61 | C63 | 109.5° | 109.5° |
| N25 | C61 | H86 | 108.1° | 109.4° |
| C61 | N25 | C58 | 123.5° | 120.0° |
| H85 | N25 | C58 | 118.3° | 120.0° |
| C62 | C61 | C63 | 109.2° | 109.5° |
| C62 | C61 | H86 | 107.3° | 109.4° |
| C61 | C62 | O20 | 120.1° | 120.0° |
| C61 | C62 | N26 | 117.5° | 120.0° |
| C63 | C61 | H86 | 107.3° | 109.5° |
| C61 | C63 | O21 | 112.0° | 109.4° |
| C61 | C63 | H87 | 108.8° | 109.5° |
| C61 | C63 | H88 | 108.8° | 109.5° |
| O20 | C62 | N26 | 122.5° | 120.0° |
| O21 | C63 | H87 | 108.9° | 109.5° |
| O21 | C63 | H88 | 108.8° | 109.4° |
| C63 | O21 | H89 | 109.5° | 114.0° |
| H87 | C63 | H88 | 109.5° | 109.5° |
| C64 | N26 | H90 | 119.2° | 120.0° |
| N26 | C64 | C65 | 112.8° | 109.5° |
| N26 | C64 | H91 | 108.6° | 109.5° |
| N26 | C64 | H92 | 108.7° | 109.4° |
| C64 | N26 | C62 | 121.6° | 120.0° |
| H90 | N26 | C62 | 119.2° | 120.0° |
| C65 | C64 | H91 | 108.6° | 109.5° |
| C65 | C64 | H92 | 108.6° | 109.5° |
| C64 | C65 | N27 | 128.1° | 125.4° |
| C64 | C65 | O23 | 118.2° | 125.3° |
| H91 | C64 | H92 | 109.5° | 109.5° |
| O22 | C66 | C67 | 121.1° | 120.0° |
| O22 | C66 | N28 | 122.9° | 120.0° |
| C66 | C67 | N27 | 126.3° | 126.5° |
| C66 | C67 | C68 | 126.0° | 126.4° |
| C67 | C66 | N28 | 116.0° | 120.0° |
| N27 | C67 | C68 | 107.7° | 107.1° |
| C67 | N27 | C65 | 104.9° | 108.5° |
| C67 | C68 | O23 | 110.5° | 106.9° |
| C67 | C68 | H93 | 124.8° | 126.6° |
| O23 | C68 | H93 | 124.7° | 126.5° |
| C68 | O23 | C65 | 103.2° | 108.2° |
| C69 | N28 | H94 | 118.3° | 120.0° |
| N28 | C69 | C70 | 112.7° | 109.5° |
| N28 | C69 | C71 | 109.9° | 109.5° |
| N28 | C69 | H95 | 108.6° | 109.4° |
| C69 | N28 | C66 | 123.5° | 120.0° |
| H94 | N28 | C66 | 118.3° | 120.0° |
| C70 | C69 | C71 | 109.6° | 109.5° |
| C70 | C69 | H95 | 107.9° | 109.4° |
| C69 | C70 | O24 | 120.0° | 120.0° |
| C69 | C70 | N29 | 117.3° | 120.0° |
| C71 | C69 | H95 | 107.9° | 109.5° |
| C69 | C71 | H96 | 109.5° | 109.5° |
| C69 | C71 | H97 | 109.5° | 109.5° |
| C69 | C71 | H98 | 109.5° | 109.4° |
| O24 | C70 | N29 | 122.7° | 120.0° |
| H96 | C71 | H97 | 109.4° | 109.5° |
| H96 | C71 | H98 | 109.5° | 109.5° |
| H97 | C71 | H98 | 109.5° | 109.5° |
| C72 | N29 | H99 | 119.5° | 119.9° |
| N29 | C72 | C73 | 110.9° | 109.5° |
| N29 | C72 | C74 | 110.7° | 109.5° |
| N29 | C72 | H100 | 108.9° | 109.4° |
| C72 | N29 | C70 | 121.1° | 120.0° |
| H99 | N29 | C70 | 119.5° | 120.0° |
| C73 | C72 | C74 | 110.3° | 109.5° |
| C73 | C72 | H100 | 108.0° | 109.5° |
| C72 | C73 | O25 | 121.0° | 120.0° |
| C72 | C73 | O27 | 31.8° | 120.0° |
| C74 | C72 | H100 | 108.0° | 109.5° |
| C72 | C74 | O26 | 111.2° | 109.5° |
| C72 | C74 | H101 | 109.1° | 109.4° |
| C72 | C74 | H102 | 109.0° | 109.5° |
| O25 | C73 | O27 | 152.6° | 120.0° |
| C73 | O27 | H104 | 90.0° | 117.0° |
| O26 | C74 | H101 | 109.0° | 109.5° |
| O26 | C74 | H102 | 109.0° | 109.5° |
| C74 | O26 | H103 | 109.5° | 114.0° |
| H101 | C74 | H102 | 109.5° | 109.4° |
| N2 | C2 | S1 | 114.5° | 110.5° |
| N8 | C12 | S2 | 114.6° | 110.5° |
| N11 | C25 | O10 | 113.3° | 109.2° |
| N17 | C34 | S3 | 115.2° | 110.6° |
| N20 | C45 | O16 | 113.8° | 109.3° |
| N24 | C53 | O19 | 114.2° | 109.3° |
| N27 | C65 | O23 | 113.7° | 109.2° |
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 | 123.6° | 120.0° |
| N1 | C1 | C2 | H3 | 119.5° | 120.0° |
| N1 | C1 | C3 | H3 | 119.8° | 120.0° |
| N1 | C1 | C3 | O1 | 93.0° | 65.0° |
| N1 | C1 | C3 | C4 | 27.8° | 55.0° |
| N1 | C1 | C3 | H4 | 147.0° | 175.0° |
| N1 | C1 | C2 | N2 | 171.9° | 135.0° |
| N1 | C1 | C2 | S1 | 8.1° | 45.3° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 58.0° | 60.0° |
| H1 | N1 | C1 | H3 | 61.1° | 179.9° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 178.0° | 64.0° |
| H2 | N1 | C1 | H3 | 58.9° | 56.0° |
| C2 | C1 | C3 | H3 | 117.1° | 120.0° |
| C2 | C1 | C3 | O1 | 30.1° | 55.0° |
| C2 | C1 | C3 | C4 | 150.9° | 175.0° |
| C2 | C1 | C3 | H4 | 89.9° | 65.0° |
| C1 | C2 | N2 | C5 | 179.6° | 180.0° |
| C1 | C2 | S1 | C7 | 179.8° | 180.0° |
| C1 | C2 | N2 | S1 | 179.9° | 179.8° |
| C1 | C3 | O1 | C4 | 122.0° | 120.0° |
| C1 | C3 | O1 | H4 | 119.0° | 120.0° |
| C1 | C3 | C4 | H4 | 119.0° | 120.0° |
| C1 | C3 | O1 | H5 | 180.0° | 60.0° |
| C1 | C3 | C4 | H6 | 180.0° | 60.0° |
| C1 | C3 | C4 | H7 | 60.0° | 180.0° |
| C1 | C3 | C4 | H8 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 64.5° | 105.0° |
| C3 | C1 | C2 | S1 | 115.6° | 74.8° |
| H3 | C1 | C3 | O1 | 147.2° | 175.0° |
| H3 | C1 | C3 | C4 | 92.0° | 65.0° |
| H3 | C1 | C3 | H4 | 27.2° | 55.0° |
| H3 | C1 | C2 | N2 | 52.4° | 14.9° |
| H3 | C1 | C2 | S1 | 127.5° | 165.3° |
| O1 | C3 | C4 | H4 | 119.8° | 120.0° |
| O1 | C3 | C4 | H6 | 58.7° | 60.0° |
| O1 | C3 | C4 | H7 | 178.8° | 60.0° |
| O1 | C3 | C4 | H8 | 61.2° | 180.0° |
| C4 | C3 | O1 | H5 | 58.0° | 60.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| H4 | C3 | O1 | H5 | 61.0° | 180.0° |
| H4 | C3 | C4 | H6 | 61.0° | 180.0° |
| H4 | C3 | C4 | H7 | 59.0° | 60.0° |
| H4 | C3 | C4 | H8 | 179.0° | 60.0° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| N2 | C5 | C6 | C7 | 178.8° | 180.0° |
| N2 | C5 | C6 | O2 | 177.8° | 179.9° |
| N2 | C5 | C7 | S1 | 0.4° | 0.2° |
| N2 | C5 | C7 | H9 | 179.6° | 179.9° |
| C5 | N2 | C2 | S1 | 0.5° | 0.2° |
| N2 | C5 | C6 | N3 | 1.5° | 0.0° |
| C5 | C6 | O2 | N3 | 179.2° | 180.0° |
| C6 | C5 | C7 | S1 | 179.3° | 179.8° |
| C6 | C5 | C7 | H9 | 0.7° | 0.1° |
| C5 | C6 | N3 | C8 | 179.4° | 180.0° |
| C5 | C6 | N3 | H10 | 0.6° | 0.0° |
| C6 | C5 | N2 | C2 | 179.5° | 179.9° |
| C7 | C5 | C6 | O2 | 1.0° | 0.1° |
| C5 | C7 | S1 | H9 | 180.0° | 179.9° |
| C7 | C5 | N2 | C2 | 0.6° | 0.0° |
| C5 | C7 | S1 | C2 | 0.1° | 0.2° |
| C7 | C5 | C6 | N3 | 179.7° | 180.0° |
| O2 | C6 | N3 | C8 | 1.3° | 0.0° |
| O2 | C6 | N3 | H10 | 178.7° | 179.9° |
| C7 | S1 | C2 | N2 | 0.2° | 0.2° |
| H9 | C7 | S1 | C2 | 179.9° | 179.9° |
| C8 | N3 | H10 | C6 | 180.0° | 180.0° |
| N3 | C8 | C9 | C10 | 122.2° | 120.0° |
| N3 | C8 | C9 | H11 | 119.2° | 120.0° |
| N3 | C8 | C10 | H11 | 119.8° | 120.0° |
| N3 | C8 | C9 | O3 | 45.5° | 0.0° |
| N3 | C8 | C10 | H12 | 180.0° | 180.0° |
| N3 | C8 | C10 | H13 | 60.0° | 60.0° |
| N3 | C8 | C10 | H14 | 60.0° | 60.0° |
| N3 | C8 | C9 | N4 | 134.6° | 179.9° |
| H10 | N3 | C8 | C9 | 110.4° | 25.0° |
| H10 | N3 | C8 | C10 | 11.6° | 95.0° |
| H10 | N3 | C8 | H11 | 131.0° | 145.0° |
| C9 | C8 | C10 | H11 | 118.5° | 120.0° |
| C8 | C9 | O3 | N4 | 179.8° | 180.0° |
| C9 | C8 | C10 | H12 | 58.3° | 60.0° |
| C9 | C8 | C10 | H13 | 178.2° | 180.0° |
| C9 | C8 | C10 | H14 | 61.7° | 60.0° |
| C8 | C9 | N4 | C11 | 176.7° | 180.0° |
| C8 | C9 | N4 | H15 | 3.3° | 0.1° |
| C9 | C8 | N3 | C6 | 69.6° | 155.0° |
| C10 | C8 | C9 | O3 | 76.7° | 120.0° |
| C8 | C10 | H12 | H13 | 120.0° | 120.0° |
| C8 | C10 | H12 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C10 | C8 | N3 | C6 | 168.4° | 85.0° |
| C10 | C8 | C9 | N4 | 103.1° | 60.0° |
| H11 | C8 | C9 | O3 | 164.7° | 120.0° |
| H11 | C8 | C10 | H12 | 60.2° | 60.0° |
| H11 | C8 | C10 | H13 | 59.7° | 60.0° |
| H11 | C8 | C10 | H14 | 179.8° | 180.0° |
| H11 | C8 | N3 | C6 | 49.1° | 35.0° |
| H11 | C8 | C9 | N4 | 15.5° | 59.9° |
| O3 | C9 | N4 | C11 | 3.5° | 0.1° |
| O3 | C9 | N4 | H15 | 176.5° | 179.9° |
| H12 | C10 | H13 | H14 | 120.0° | 120.0° |
| C11 | N4 | H15 | C9 | 180.0° | 179.9° |
| N4 | C11 | C12 | C13 | 123.0° | 120.0° |
| N4 | C11 | C12 | H16 | 119.4° | 120.0° |
| N4 | C11 | C13 | H16 | 118.3° | 120.0° |
| N4 | C11 | C13 | C14 | 69.3° | 65.0° |
| N4 | C11 | C13 | H17 | 51.3° | 55.0° |
| N4 | C11 | C13 | H18 | 170.1° | 175.0° |
| N4 | C11 | C12 | N8 | 171.4° | 135.0° |
| N4 | C11 | C12 | S2 | 10.7° | 45.3° |
| H15 | N4 | C11 | C12 | 83.7° | 24.9° |
| H15 | N4 | C11 | C13 | 39.7° | 95.1° |
| H15 | N4 | C11 | H16 | 157.4° | 144.9° |
| C12 | C11 | C13 | H16 | 117.6° | 120.0° |
| C12 | C11 | C13 | C14 | 166.5° | 175.0° |
| C12 | C11 | C13 | H17 | 72.9° | 65.0° |
| C12 | C11 | C13 | H18 | 45.9° | 55.0° |
| C11 | C12 | N8 | C17 | 178.5° | 179.9° |
| C11 | C12 | S2 | C19 | 178.7° | 180.0° |
| C12 | C11 | N4 | C9 | 96.3° | 154.9° |
| C11 | C12 | N8 | S2 | 178.1° | 179.8° |
| C11 | C13 | C14 | H17 | 120.6° | 120.0° |
| C11 | C13 | C14 | H18 | 120.6° | 120.0° |
| C11 | C13 | H17 | H18 | 118.2° | 120.0° |
| C11 | C13 | C14 | C15 | 155.2° | 180.0° |
| C11 | C13 | C14 | H19 | 84.4° | 60.0° |
| C11 | C13 | C14 | H20 | 34.8° | 60.0° |
| C13 | C11 | N4 | C9 | 140.3° | 85.0° |
| C13 | C11 | C12 | N8 | 48.4° | 105.0° |
| C13 | C11 | C12 | S2 | 133.7° | 74.7° |
| H16 | C11 | C13 | C14 | 49.0° | 55.0° |
| H16 | C11 | C13 | H17 | 169.5° | 175.0° |
| H16 | C11 | C13 | H18 | 71.6° | 65.0° |
| H16 | C11 | N4 | C9 | 22.6° | 34.9° |
| H16 | C11 | C12 | N8 | 69.1° | 15.0° |
| H16 | C11 | C12 | S2 | 108.8° | 165.3° |
| C14 | C13 | H17 | H18 | 118.2° | 120.0° |
| C13 | C14 | C15 | H19 | 120.4° | 120.0° |
| C13 | C14 | C15 | H20 | 120.4° | 120.0° |
| C13 | C14 | H19 | H20 | 118.8° | 120.0° |
| C13 | C14 | C15 | N5 | 68.1° | 180.0° |
| C13 | C14 | C15 | H21 | 52.2° | 60.0° |
| C13 | C14 | C15 | H22 | 171.6° | 60.1° |
| H17 | C13 | C14 | C15 | 34.6° | 60.0° |
| H17 | C13 | C14 | H19 | 155.0° | 179.9° |
| H17 | C13 | C14 | H20 | 85.8° | 60.0° |
| H18 | C13 | C14 | C15 | 84.2° | 60.0° |
| H18 | C13 | C14 | H19 | 36.2° | 60.0° |
| H18 | C13 | C14 | H20 | 155.4° | 180.0° |
| C15 | C14 | H19 | H20 | 118.9° | 120.0° |
| C14 | C15 | N5 | H21 | 120.3° | 120.1° |
| C14 | C15 | N5 | H22 | 120.3° | 120.0° |
| C14 | C15 | H21 | H22 | 119.1° | 120.1° |
| C14 | C15 | N5 | C16 | 140.5° | 179.9° |
| C14 | C15 | N5 | H23 | 39.5° | 0.0° |
| H19 | C14 | C15 | N5 | 171.5° | 59.9° |
| H19 | C14 | C15 | H21 | 68.2° | 180.0° |
| H19 | C14 | C15 | H22 | 51.2° | 60.0° |
| H20 | C14 | C15 | N5 | 52.3° | 60.0° |
| H20 | C14 | C15 | H21 | 172.5° | 60.0° |
| H20 | C14 | C15 | H22 | 68.0° | 179.9° |
| N5 | C15 | H21 | H22 | 119.1° | 119.9° |
| C15 | N5 | C16 | H23 | 180.0° | 180.0° |
| C15 | N5 | C16 | N6 | 0.4° | 0.1° |
| C15 | N5 | C16 | N7 | 179.5° | 179.9° |
| H21 | C15 | N5 | C16 | 20.2° | 60.0° |
| H21 | C15 | N5 | H23 | 159.8° | 120.0° |
| H22 | C15 | N5 | C16 | 99.2° | 60.0° |
| H22 | C15 | N5 | H23 | 80.8° | 120.0° |
| N5 | C16 | N6 | N7 | 179.8° | 179.9° |
| N5 | C16 | N6 | H24 | 179.8° | 0.1° |
| N5 | C16 | N6 | H25 | 0.1° | 180.0° |
| N5 | C16 | N7 | H26 | 179.8° | 180.0° |
| N5 | C16 | N7 | H27 | 0.1° | 0.1° |
| H23 | N5 | C16 | N6 | 179.6° | 179.9° |
| H23 | N5 | C16 | N7 | 0.5° | 0.1° |
| C16 | N6 | H24 | H25 | 180.0° | 179.9° |
| N6 | C16 | N7 | H26 | 0.0° | 0.1° |
| N6 | C16 | N7 | H27 | 180.0° | 180.0° |
| N7 | C16 | N6 | H24 | 0.0° | 180.0° |
| N7 | C16 | N6 | H25 | 180.0° | 0.1° |
| C16 | N7 | H26 | H27 | 180.0° | 179.9° |
| N8 | C17 | C18 | C19 | 179.4° | 179.9° |
| N8 | C17 | C18 | O4 | 177.7° | 180.0° |
| N8 | C17 | C19 | S2 | 0.5° | 0.3° |
| N8 | C17 | C19 | H28 | 179.5° | 180.0° |
| C17 | N8 | C12 | S2 | 0.5° | 0.2° |
| N8 | C17 | C18 | N9 | 1.5° | 0.1° |
| C17 | C18 | O4 | N9 | 179.2° | 179.9° |
| C18 | C17 | C19 | S2 | 179.9° | 179.8° |
| C18 | C17 | C19 | H28 | 0.1° | 0.0° |
| C17 | C18 | N9 | C20 | 179.4° | 175.0° |
| C17 | C18 | N9 | H29 | 0.6° | 5.1° |
| C18 | C17 | N8 | C12 | 179.5° | 180.0° |
| C19 | C17 | C18 | O4 | 1.7° | 0.1° |
| C17 | C19 | S2 | H28 | 180.0° | 179.8° |
| C19 | C17 | N8 | C12 | 0.0° | 0.1° |
| C17 | C19 | S2 | C12 | 0.6° | 0.3° |
| C19 | C17 | C18 | N9 | 179.2° | 179.9° |
| O4 | C18 | N9 | C20 | 0.2° | 4.9° |
| O4 | C18 | N9 | H29 | 179.8° | 175.0° |
| C19 | S2 | C12 | N8 | 0.6° | 0.3° |
| H28 | C19 | S2 | C12 | 179.4° | 179.9° |
| C20 | N9 | H29 | C18 | 180.0° | 179.9° |
| N9 | C20 | C21 | C22 | 121.5° | 120.0° |
| N9 | C20 | C21 | H30 | 118.9° | 120.0° |
| N9 | C20 | C22 | H30 | 120.0° | 120.1° |
| N9 | C20 | C21 | O5 | 15.3° | 0.1° |
| N9 | C20 | C22 | C23 | 167.1° | 63.9° |
| N9 | C20 | C22 | H31 | 46.5° | 56.0° |
| N9 | C20 | C22 | H32 | 72.4° | 176.1° |
| N9 | C20 | C21 | N10 | 163.5° | 180.0° |
| H29 | N9 | C20 | C21 | 59.0° | 115.7° |
| H29 | N9 | C20 | C22 | 63.4° | 124.3° |
| H29 | N9 | C20 | H30 | 177.3° | 4.3° |
| C21 | C20 | C22 | H30 | 119.7° | 119.9° |
| C20 | C21 | O5 | N10 | 178.7° | 180.0° |
| C21 | C20 | C22 | C23 | 72.6° | 176.1° |
| C21 | C20 | C22 | H31 | 166.9° | 64.0° |
| C21 | C20 | C22 | H32 | 47.9° | 56.0° |
| C20 | C21 | N10 | C24 | 172.8° | 180.0° |
| C20 | C21 | N10 | H34 | 7.2° | 0.0° |
| C21 | C20 | N9 | C18 | 121.0° | 64.2° |
| C22 | C20 | C21 | O5 | 106.3° | 120.1° |
| C20 | C22 | C23 | H31 | 120.6° | 119.9° |
| C20 | C22 | C23 | H32 | 120.5° | 120.1° |
| C20 | C22 | H31 | H32 | 118.3° | 120.1° |
| C20 | C22 | C23 | O6 | 76.5° | 5.5° |
| C20 | C22 | C23 | O7 | 102.8° | 174.5° |
| C22 | C20 | N9 | C18 | 116.6° | 55.8° |
| C22 | C20 | C21 | N10 | 75.0° | 60.0° |
| H30 | C20 | C21 | O5 | 134.1° | 120.0° |
| H30 | C20 | C22 | C23 | 47.1° | 56.1° |
| H30 | C20 | C22 | H31 | 73.5° | 176.1° |
| H30 | C20 | C22 | H32 | 167.6° | 63.9° |
| H30 | C20 | N9 | C18 | 2.7° | 175.8° |
| H30 | C20 | C21 | N10 | 44.6° | 60.0° |
| O5 | C21 | N10 | C24 | 8.4° | 0.0° |
| O5 | C21 | N10 | H34 | 171.6° | 180.0° |
| C23 | C22 | H31 | H32 | 118.3° | 120.0° |
| C22 | C23 | O6 | O7 | 179.2° | 180.0° |
| C22 | C23 | O7 | H33 | 179.2° | 180.0° |
| H31 | C22 | C23 | O6 | 44.1° | 125.4° |
| H31 | C22 | C23 | O7 | 136.7° | 54.6° |
| H32 | C22 | C23 | O6 | 163.0° | 114.6° |
| H32 | C22 | C23 | O7 | 17.8° | 65.4° |
| O6 | C23 | O7 | H33 | 0.0° | 0.0° |
| C24 | N10 | H34 | C21 | 180.0° | 180.0° |
| N10 | C24 | C25 | C26 | 122.4° | 120.1° |
| N10 | C24 | C25 | H35 | 119.0° | 120.0° |
| N10 | C24 | C26 | H35 | 119.4° | 120.0° |
| N10 | C24 | C26 | O8 | 92.4° | 65.0° |
| N10 | C24 | C26 | H36 | 147.3° | 175.0° |
| N10 | C24 | C26 | H37 | 27.9° | 54.9° |
| N10 | C24 | C25 | N11 | 9.6° | 135.0° |
| N10 | C24 | C25 | O10 | 169.5° | 45.3° |
| H34 | N10 | C24 | C25 | 111.9° | 25.0° |
| H34 | N10 | C24 | C26 | 10.9° | 95.0° |
| H34 | N10 | C24 | H35 | 129.7° | 145.0° |
| C25 | C24 | C26 | H35 | 118.7° | 120.0° |
| C25 | C24 | C26 | O8 | 29.6° | 55.1° |
| C25 | C24 | C26 | H36 | 90.7° | 65.0° |
| C25 | C24 | C26 | H37 | 149.9° | 175.0° |
| C24 | C25 | N11 | C28 | 179.4° | 180.0° |
| C24 | C25 | O10 | C29 | 179.1° | 180.0° |
| C25 | C24 | N10 | C21 | 68.1° | 155.0° |
| C24 | C25 | N11 | O10 | 179.1° | 179.7° |
| C24 | C26 | O8 | H36 | 120.3° | 120.0° |
| C24 | C26 | O8 | H37 | 120.3° | 120.0° |
| C24 | C26 | H36 | H37 | 119.1° | 120.0° |
| C24 | C26 | O8 | H38 | 180.0° | 180.0° |
| C26 | C24 | N10 | C21 | 169.1° | 85.0° |
| C26 | C24 | C25 | N11 | 112.8° | 105.0° |
| C26 | C24 | C25 | O10 | 68.1° | 74.7° |
| H35 | C24 | C26 | O8 | 148.3° | 175.0° |
| H35 | C24 | C26 | H36 | 28.0° | 55.0° |
| H35 | C24 | C26 | H37 | 91.5° | 65.1° |
| H35 | C24 | N10 | C21 | 50.3° | 35.0° |
| H35 | C24 | C25 | N11 | 128.5° | 15.0° |
| H35 | C24 | C25 | O10 | 50.5° | 165.3° |
| O8 | C26 | H36 | H37 | 119.1° | 120.0° |
| H36 | C26 | O8 | H38 | 59.8° | 59.9° |
| H37 | C26 | O8 | H38 | 59.7° | 60.1° |
| O9 | C27 | C28 | N12 | 177.7° | 180.0° |
| O9 | C27 | C28 | N11 | 175.3° | 180.0° |
| O9 | C27 | C28 | C29 | 2.9° | 0.3° |
| O9 | C27 | N12 | C30 | 1.1° | 0.0° |
| O9 | C27 | N12 | H40 | 178.9° | 180.0° |
| C27 | C28 | N11 | C29 | 178.6° | 179.8° |
| C27 | C28 | C29 | O10 | 179.0° | 179.8° |
| C27 | C28 | C29 | H39 | 1.0° | 0.1° |
| C28 | C27 | N12 | C30 | 178.8° | 180.0° |
| C28 | C27 | N12 | H40 | 1.2° | 0.0° |
| C27 | C28 | N11 | C25 | 179.1° | 180.0° |
| N11 | C28 | C29 | O10 | 0.6° | 0.1° |
| N11 | C28 | C29 | H39 | 179.4° | 179.9° |
| C28 | N11 | C25 | O10 | 0.3° | 0.3° |
| N11 | C28 | C27 | N12 | 2.4° | 0.1° |
| C28 | C29 | O10 | H39 | 180.0° | 179.9° |
| C29 | C28 | N11 | C25 | 0.5° | 0.2° |
| C28 | C29 | O10 | C25 | 0.4° | 0.1° |
| C29 | C28 | C27 | N12 | 179.4° | 179.8° |
| C29 | O10 | C25 | N11 | 0.1° | 0.2° |
| H39 | C29 | O10 | C25 | 179.6° | 180.0° |
| C30 | N12 | H40 | C27 | 180.0° | 180.0° |
| N12 | C30 | C31 | C32 | 122.7° | 120.0° |
| N12 | C30 | C31 | H41 | 119.6° | 120.1° |
| N12 | C30 | C32 | H41 | 119.4° | 120.0° |
| N12 | C30 | C31 | O11 | 1.8° | 0.0° |
| N12 | C30 | C32 | O12 | 67.7° | 65.0° |
| N12 | C30 | C32 | H42 | 171.9° | 175.0° |
| N12 | C30 | C32 | H43 | 52.8° | 55.0° |
| N12 | C30 | C31 | N13 | 177.8° | 180.0° |
| H40 | N12 | C30 | C31 | 101.6° | 25.0° |
| H40 | N12 | C30 | C32 | 20.5° | 95.0° |
| H40 | N12 | C30 | H41 | 139.4° | 145.0° |
| C31 | C30 | C32 | H41 | 117.7° | 120.0° |
| C30 | C31 | O11 | N13 | 179.6° | 179.9° |
| C31 | C30 | C32 | O12 | 55.1° | 55.0° |
| C31 | C30 | C32 | H42 | 65.3° | 65.0° |
| C31 | C30 | C32 | H43 | 175.6° | 175.0° |
| C30 | C31 | N13 | C33 | 174.6° | 180.0° |
| C30 | C31 | N13 | H45 | 5.4° | 0.0° |
| C31 | C30 | N12 | C27 | 78.4° | 155.0° |
| C32 | C30 | C31 | O11 | 120.9° | 119.9° |
| C30 | C32 | O12 | H42 | 120.4° | 120.0° |
| C30 | C32 | O12 | H43 | 120.4° | 120.0° |
| C30 | C32 | H42 | H43 | 118.7° | 120.0° |
| C30 | C32 | O12 | H44 | 180.0° | 180.0° |
| C32 | C30 | N12 | C27 | 159.5° | 85.0° |
| C32 | C30 | C31 | N13 | 59.5° | 60.0° |
| H41 | C30 | C31 | O11 | 121.4° | 120.1° |
| H41 | C30 | C32 | O12 | 172.9° | 174.9° |
| H41 | C30 | C32 | H42 | 52.5° | 55.0° |
| H41 | C30 | C32 | H43 | 66.7° | 65.0° |
| H41 | C30 | N12 | C27 | 40.6° | 35.0° |
| H41 | C30 | C31 | N13 | 58.3° | 60.0° |
| O11 | C31 | N13 | C33 | 5.8° | 0.1° |
| O11 | C31 | N13 | H45 | 174.2° | 179.9° |
| O12 | C32 | H42 | H43 | 118.7° | 120.0° |
| H42 | C32 | O12 | H44 | 59.6° | 60.0° |
| H43 | C32 | O12 | H44 | 59.6° | 60.0° |
| C33 | N13 | H45 | C31 | 180.0° | 180.0° |
| N13 | C33 | C34 | C35 | 122.1° | 120.0° |
| N13 | C33 | C34 | H46 | 119.2° | 120.0° |
| N13 | C33 | C35 | H46 | 120.2° | 120.0° |
| N13 | C33 | C35 | C36 | 51.6° | 65.0° |
| N13 | C33 | C35 | H47 | 69.2° | 55.0° |
| N13 | C33 | C35 | H48 | 172.5° | 175.0° |
| N13 | C33 | C34 | N17 | 0.2° | 135.0° |
| N13 | C33 | C34 | S3 | 179.3° | 45.3° |
| H45 | N13 | C33 | C34 | 91.0° | 24.9° |
| H45 | N13 | C33 | C35 | 30.7° | 95.0° |
| H45 | N13 | C33 | H46 | 150.3° | 145.0° |
| C34 | C33 | C35 | H46 | 118.7° | 120.0° |
| C34 | C33 | C35 | C36 | 172.7° | 175.0° |
| C34 | C33 | C35 | H47 | 51.9° | 65.0° |
| C34 | C33 | C35 | H48 | 66.4° | 55.1° |
| C33 | C34 | N17 | C39 | 178.7° | 180.0° |
| C33 | C34 | S3 | C41 | 177.9° | 180.0° |
| C34 | C33 | N13 | C31 | 89.0° | 155.0° |
| C33 | C34 | N17 | S3 | 179.5° | 179.7° |
| C33 | C35 | C36 | H47 | 120.8° | 120.0° |
| C33 | C35 | C36 | H48 | 120.8° | 120.0° |
| C33 | C35 | H47 | H48 | 117.5° | 120.0° |
| C33 | C35 | C36 | C37 | 72.2° | 180.0° |
| C33 | C35 | C36 | H49 | 48.2° | 60.0° |
| C33 | C35 | C36 | H50 | 167.4° | 60.0° |
| C35 | C33 | N13 | C31 | 149.4° | 85.0° |
| C35 | C33 | C34 | N17 | 122.3° | 105.0° |
| C35 | C33 | C34 | S3 | 57.1° | 74.7° |
| H46 | C33 | C35 | C36 | 68.6° | 55.0° |
| H46 | C33 | C35 | H47 | 170.6° | 175.0° |
| H46 | C33 | C35 | H48 | 52.3° | 65.0° |
| H46 | C33 | N13 | C31 | 29.7° | 35.0° |
| H46 | C33 | C34 | N17 | 119.0° | 15.0° |
| H46 | C33 | C34 | S3 | 61.5° | 165.3° |
| C36 | C35 | H47 | H48 | 117.5° | 120.0° |
| C35 | C36 | C37 | H49 | 120.4° | 120.0° |
| C35 | C36 | C37 | H50 | 120.4° | 120.0° |
| C35 | C36 | H49 | H50 | 118.8° | 120.0° |
| C35 | C36 | C37 | N14 | 172.1° | 180.0° |
| C35 | C36 | C37 | H51 | 67.6° | 60.0° |
| C35 | C36 | C37 | H52 | 51.7° | 60.0° |
| H47 | C35 | C36 | C37 | 167.0° | 60.0° |
| H47 | C35 | C36 | H49 | 72.6° | 180.0° |
| H47 | C35 | C36 | H50 | 46.6° | 60.0° |
| H48 | C35 | C36 | C37 | 48.6° | 60.0° |
| H48 | C35 | C36 | H49 | 169.0° | 60.0° |
| H48 | C35 | C36 | H50 | 71.8° | 180.0° |
| C37 | C36 | H49 | H50 | 118.7° | 120.0° |
| C36 | C37 | N14 | H51 | 120.4° | 120.0° |
| C36 | C37 | N14 | H52 | 120.4° | 120.0° |
| C36 | C37 | H51 | H52 | 118.8° | 120.0° |
| C36 | C37 | N14 | C38 | 93.3° | 180.0° |
| C36 | C37 | N14 | H53 | 86.7° | 0.0° |
| H49 | C36 | C37 | N14 | 51.6° | 60.0° |
| H49 | C36 | C37 | H51 | 172.0° | 180.0° |
| H49 | C36 | C37 | H52 | 68.7° | 60.0° |
| H50 | C36 | C37 | N14 | 67.5° | 60.0° |
| H50 | C36 | C37 | H51 | 52.8° | 60.0° |
| H50 | C36 | C37 | H52 | 172.1° | 180.0° |
| N14 | C37 | H51 | H52 | 118.8° | 120.0° |
| C37 | N14 | C38 | H53 | 180.0° | 180.0° |
| C37 | N14 | C38 | N15 | 179.8° | 0.0° |
| C37 | N14 | C38 | N16 | 0.5° | 180.0° |
| H51 | C37 | N14 | C38 | 146.3° | 60.0° |
| H51 | C37 | N14 | H53 | 33.7° | 120.0° |
| H52 | C37 | N14 | C38 | 27.1° | 60.0° |
| H52 | C37 | N14 | H53 | 152.9° | 120.0° |
| N14 | C38 | N15 | N16 | 179.3° | 180.0° |
| N14 | C38 | N15 | H54 | 179.3° | 0.1° |
| N14 | C38 | N15 | H55 | 0.7° | 180.0° |
| N14 | C38 | N16 | H56 | 179.2° | 0.0° |
| N14 | C38 | N16 | H57 | 0.7° | 180.0° |
| H53 | N14 | C38 | N15 | 0.2° | 180.0° |
| H53 | N14 | C38 | N16 | 179.5° | 0.0° |
| C38 | N15 | H54 | H55 | 180.0° | 179.9° |
| N15 | C38 | N16 | H56 | 0.0° | 180.0° |
| N15 | C38 | N16 | H57 | 180.0° | 0.0° |
| N16 | C38 | N15 | H54 | 0.0° | 179.9° |
| N16 | C38 | N15 | H55 | 180.0° | 0.0° |
| C38 | N16 | H56 | H57 | 179.9° | 180.0° |
| N17 | C39 | C40 | C41 | 178.5° | 180.0° |
| N17 | C39 | C40 | O13 | 177.3° | 180.0° |
| N17 | C39 | C41 | S3 | 2.0° | 0.2° |
| N17 | C39 | C41 | H58 | 178.0° | 179.9° |
| C39 | N17 | C34 | S3 | 0.8° | 0.2° |
| N17 | C39 | C40 | N18 | 3.5° | 0.0° |
| C39 | C40 | O13 | N18 | 179.1° | 179.9° |
| C40 | C39 | C41 | S3 | 179.4° | 179.7° |
| C40 | C39 | C41 | H58 | 0.6° | 0.1° |
| C39 | C40 | N18 | C42 | 179.0° | 180.0° |
| C39 | C40 | N18 | H59 | 1.0° | 0.1° |
| C40 | C39 | N17 | C34 | 179.4° | 179.9° |
| C41 | C39 | C40 | O13 | 1.1° | 0.1° |
| C39 | C41 | S3 | H58 | 180.0° | 179.8° |
| C41 | C39 | N17 | C34 | 0.8° | 0.0° |
| C39 | C41 | S3 | C34 | 2.0° | 0.3° |
| C41 | C39 | C40 | N18 | 178.0° | 180.0° |
| O13 | C40 | N18 | C42 | 1.8° | 0.0° |
| O13 | C40 | N18 | H59 | 178.2° | 180.0° |
| C41 | S3 | C34 | N17 | 1.6° | 0.3° |
| H58 | C41 | S3 | C34 | 178.0° | 179.9° |
| C42 | N18 | H59 | C40 | 180.0° | 180.0° |
| N18 | C42 | C43 | H60 | 121.2° | 120.0° |
| N18 | C42 | C43 | H61 | 121.2° | 120.0° |
| N18 | C42 | H60 | H61 | 116.2° | 120.0° |
| N18 | C42 | C43 | O14 | 3.7° | 0.0° |
| N18 | C42 | C43 | N19 | 177.0° | 180.0° |
| H59 | N18 | C42 | C43 | 114.6° | 0.0° |
| H59 | N18 | C42 | H60 | 124.2° | 120.0° |
| H59 | N18 | C42 | H61 | 6.6° | 120.1° |
| C43 | C42 | H60 | H61 | 116.2° | 120.0° |
| C42 | C43 | O14 | N19 | 179.2° | 180.0° |
| C42 | C43 | N19 | C44 | 178.3° | 180.0° |
| C42 | C43 | N19 | H62 | 1.7° | 0.0° |
| C43 | C42 | N18 | C40 | 65.4° | 180.0° |
| H60 | C42 | C43 | O14 | 125.0° | 120.0° |
| H60 | C42 | N18 | C40 | 55.8° | 60.0° |
| H60 | C42 | C43 | N19 | 55.8° | 60.0° |
| H61 | C42 | C43 | O14 | 117.5° | 120.0° |
| H61 | C42 | N18 | C40 | 173.4° | 60.0° |
| H61 | C42 | C43 | N19 | 61.7° | 60.0° |
| O14 | C43 | N19 | C44 | 2.5° | 0.0° |
| O14 | C43 | N19 | H62 | 177.5° | 180.0° |
| C44 | N19 | H62 | C43 | 180.0° | 180.0° |
| N19 | C44 | C45 | C46 | 122.9° | 120.0° |
| N19 | C44 | C45 | H63 | 119.7° | 120.0° |
| N19 | C44 | C46 | H63 | 118.7° | 120.1° |
| N19 | C44 | C46 | H64 | 180.0° | 180.0° |
| N19 | C44 | C46 | H65 | 60.0° | 60.0° |
| N19 | C44 | C46 | H66 | 60.0° | 59.9° |
| N19 | C44 | C45 | N20 | 147.6° | 135.0° |
| N19 | C44 | C45 | O16 | 33.4° | 45.3° |
| H62 | N19 | C44 | C45 | 85.9° | 25.0° |
| H62 | N19 | C44 | C46 | 36.7° | 95.0° |
| H62 | N19 | C44 | H63 | 154.9° | 145.0° |
| C45 | C44 | C46 | H63 | 117.4° | 120.0° |
| C45 | C44 | C46 | H64 | 56.1° | 60.0° |
| C45 | C44 | C46 | H65 | 176.1° | 180.0° |
| C45 | C44 | C46 | H66 | 63.9° | 60.0° |
| C44 | C45 | N20 | C48 | 180.0° | 180.0° |
| C44 | C45 | O16 | C49 | 179.0° | 180.0° |
| C45 | C44 | N19 | C43 | 94.1° | 155.0° |
| C44 | C45 | N20 | O16 | 179.0° | 179.7° |
| C44 | C46 | H64 | H65 | 120.0° | 119.9° |
| C44 | C46 | H64 | H66 | 120.0° | 120.0° |
| C44 | C46 | H65 | H66 | 120.0° | 120.0° |
| C46 | C44 | N19 | C43 | 143.3° | 85.0° |
| C46 | C44 | C45 | N20 | 89.5° | 105.0° |
| C46 | C44 | C45 | O16 | 89.4° | 74.7° |
| H63 | C44 | C46 | H64 | 61.4° | 59.9° |
| H63 | C44 | C46 | H65 | 58.7° | 60.0° |
| H63 | C44 | C46 | H66 | 178.7° | NaN° |
| H63 | C44 | N19 | C43 | 25.1° | 35.0° |
| H63 | C44 | C45 | N20 | 28.0° | 15.0° |
| H63 | C44 | C45 | O16 | 153.1° | 165.4° |
| H64 | C46 | H65 | H66 | 120.0° | 120.1° |
| O15 | C47 | C48 | N21 | 178.9° | 180.0° |
| O15 | C47 | C48 | N20 | 172.8° | 180.0° |
| O15 | C47 | C48 | C49 | 3.5° | 0.2° |
| O15 | C47 | N21 | C50 | 0.0° | 0.1° |
| O15 | C47 | N21 | H68 | 180.0° | 180.0° |
| C47 | C48 | N20 | C49 | 177.0° | 179.8° |
| C47 | C48 | C49 | O16 | 178.7° | 179.8° |
| C47 | C48 | C49 | H67 | 1.3° | 0.0° |
| C48 | C47 | N21 | C50 | 178.9° | 180.0° |
| C48 | C47 | N21 | H68 | 1.1° | 0.0° |
| C47 | C48 | N20 | C45 | 178.8° | 180.0° |
| N20 | C48 | C49 | O16 | 2.0° | 0.0° |
| N20 | C48 | C49 | H67 | 178.0° | 179.8° |
| C48 | N20 | C45 | O16 | 1.1° | 0.3° |
| N20 | C48 | C47 | N21 | 6.1° | 0.0° |
| C48 | C49 | O16 | H67 | 180.0° | 179.8° |
| C49 | C48 | N20 | C45 | 1.8° | 0.2° |
| C48 | C49 | O16 | C45 | 1.3° | 0.2° |
| C49 | C48 | C47 | N21 | 177.6° | 179.8° |
| C49 | O16 | C45 | N20 | 0.1° | 0.3° |
| H67 | C49 | O16 | C45 | 178.7° | 180.0° |
| C50 | N21 | H68 | C47 | 180.0° | 179.9° |
| N21 | C50 | C51 | H69 | 121.0° | 119.9° |
| N21 | C50 | C51 | H70 | 121.1° | 120.1° |
| N21 | C50 | H69 | H70 | 116.7° | 120.0° |
| N21 | C50 | C51 | O17 | 167.0° | 0.1° |
| N21 | C50 | C51 | N22 | 11.9° | 180.0° |
| H68 | N21 | C50 | C51 | 111.4° | 0.1° |
| H68 | N21 | C50 | H69 | 9.7° | 120.0° |
| H68 | N21 | C50 | H70 | 127.6° | 120.0° |
| C51 | C50 | H69 | H70 | 116.7° | 120.1° |
| C50 | C51 | O17 | N22 | 178.8° | 179.9° |
| C50 | C51 | N22 | C52 | 176.1° | 180.0° |
| C50 | C51 | N22 | H71 | 3.8° | 0.1° |
| C51 | C50 | N21 | C47 | 68.6° | 180.0° |
| H69 | C50 | C51 | O17 | 72.0° | 120.0° |
| H69 | C50 | N21 | C47 | 170.4° | 60.0° |
| H69 | C50 | C51 | N22 | 109.2° | 60.1° |
| H70 | C50 | C51 | O17 | 45.9° | 120.0° |
| H70 | C50 | N21 | C47 | 52.5° | 59.9° |
| H70 | C50 | C51 | N22 | 132.9° | 59.9° |
| O17 | C51 | N22 | C52 | 5.1° | 0.1° |
| O17 | C51 | N22 | H71 | 175.0° | 180.0° |
| C52 | N22 | H71 | C51 | 180.0° | 180.0° |
| N22 | C52 | C53 | C54 | 123.3° | 120.0° |
| N22 | C52 | C53 | H72 | 118.9° | 120.0° |
| N22 | C52 | C54 | H72 | 119.9° | 120.0° |
| N22 | C52 | C54 | C55 | 12.0° | 65.0° |
| N22 | C52 | C54 | H73 | 108.8° | 55.0° |
| N22 | C52 | C54 | H74 | 132.8° | 175.0° |
| N22 | C52 | C53 | N24 | 125.3° | 135.0° |
| N22 | C52 | C53 | O19 | 54.6° | 45.3° |
| H71 | N22 | C52 | C53 | 67.0° | 25.0° |
| H71 | N22 | C52 | C54 | 55.3° | 95.0° |
| H71 | N22 | C52 | H72 | 174.6° | 145.0° |
| C53 | C52 | C54 | H72 | 117.9° | 120.0° |
| C53 | C52 | C54 | C55 | 134.2° | 175.0° |
| C53 | C52 | C54 | H73 | 13.4° | 65.0° |
| C53 | C52 | C54 | H74 | 105.0° | 55.0° |
| C52 | C53 | N24 | C59 | 179.6° | 180.0° |
| C52 | C53 | O19 | C60 | 179.7° | 180.0° |
| C53 | C52 | N22 | C51 | 113.0° | 155.0° |
| C52 | C53 | N24 | O19 | 179.8° | 179.7° |
| C52 | C54 | C55 | H73 | 120.8° | 119.9° |
| C52 | C54 | C55 | H74 | 120.8° | 120.0° |
| C52 | C54 | H73 | H74 | 117.5° | 120.0° |
| C52 | C54 | C55 | C56 | 163.4° | NaN° |
| C52 | C54 | C55 | H75 | 43.3° | 60.1° |
| C52 | C54 | C55 | H76 | 76.4° | 60.0° |
| C54 | C52 | N22 | C51 | 124.7° | 85.0° |
| C54 | C52 | C53 | N24 | 1.9° | 105.0° |
| C54 | C52 | C53 | O19 | 177.9° | 74.7° |
| H72 | C52 | C54 | C55 | 107.9° | 55.0° |
| H72 | C52 | C54 | H73 | 131.3° | 175.0° |
| H72 | C52 | C54 | H74 | 12.9° | 65.0° |
| H72 | C52 | N22 | C51 | 5.4° | 35.0° |
| H72 | C52 | C53 | N24 | 115.9° | 15.0° |
| H72 | C52 | C53 | O19 | 64.3° | 165.4° |
| C55 | C54 | H73 | H74 | 117.5° | 120.0° |
| C54 | C55 | C56 | H75 | 120.1° | 120.0° |
| C54 | C55 | C56 | H76 | 120.2° | 120.0° |
| C54 | C55 | H75 | H76 | 119.5° | 120.0° |
| C54 | C55 | C56 | C57 | 160.9° | 179.9° |
| C54 | C55 | C56 | H77 | 79.0° | 60.0° |
| C54 | C55 | C56 | H78 | 40.7° | 60.0° |
| H73 | C54 | C55 | C56 | 75.8° | 60.1° |
| H73 | C54 | C55 | H75 | 164.1° | 180.0° |
| H73 | C54 | C55 | H76 | 44.4° | 59.9° |
| H74 | C54 | C55 | C56 | 42.6° | 60.0° |
| H74 | C54 | C55 | H75 | 77.5° | 59.9° |
| H74 | C54 | C55 | H76 | 162.8° | 180.0° |
| C56 | C55 | H75 | H76 | 119.5° | 120.0° |
| C55 | C56 | C57 | H77 | 120.2° | 120.0° |
| C55 | C56 | C57 | H78 | 120.2° | 120.0° |
| C55 | C56 | H77 | H78 | 119.5° | 120.0° |
| C55 | C56 | C57 | N23 | 178.8° | 180.0° |
| C55 | C56 | C57 | H79 | 60.8° | 60.0° |
| C55 | C56 | C57 | H80 | 58.5° | 60.0° |
| H75 | C55 | C56 | C57 | 40.7° | 60.0° |
| H75 | C55 | C56 | H77 | 160.9° | 179.9° |
| H75 | C55 | C56 | H78 | 79.4° | 60.0° |
| H76 | C55 | C56 | C57 | 78.9° | 60.0° |
| H76 | C55 | C56 | H77 | 41.2° | 60.0° |
| H76 | C55 | C56 | H78 | 160.9° | 180.0° |
| C57 | C56 | H77 | H78 | 119.5° | 120.0° |
| C56 | C57 | N23 | H79 | 120.3° | 120.1° |
| C56 | C57 | N23 | H80 | 120.3° | 120.0° |
| C56 | C57 | H79 | H80 | 119.0° | 120.0° |
| C56 | C57 | N23 | H81 | 180.0° | 180.0° |
| C56 | C57 | N23 | H82 | 60.0° | 59.9° |
| C56 | C57 | N23 | H83 | 60.0° | 60.0° |
| H77 | C56 | C57 | N23 | 58.7° | 60.0° |
| H77 | C56 | C57 | H79 | 179.0° | 180.0° |
| H77 | C56 | C57 | H80 | 61.7° | 60.0° |
| H78 | C56 | C57 | N23 | 61.0° | 60.1° |
| H78 | C56 | C57 | H79 | 59.4° | 60.0° |
| H78 | C56 | C57 | H80 | 178.7° | 180.0° |
| N23 | C57 | H79 | H80 | 119.0° | 119.9° |
| C57 | N23 | H81 | H82 | 120.0° | 120.1° |
| C57 | N23 | H81 | H83 | 120.0° | 120.0° |
| C57 | N23 | H82 | H83 | 120.0° | 120.0° |
| H79 | C57 | N23 | H81 | 59.7° | 59.9° |
| H79 | C57 | N23 | H82 | 179.7° | 180.0° |
| H79 | C57 | N23 | H83 | 60.3° | 60.1° |
| H80 | C57 | N23 | H81 | 59.7° | 60.0° |
| H80 | C57 | N23 | H82 | 60.3° | 60.0° |
| H80 | C57 | N23 | H83 | 179.7° | 180.0° |
| H81 | N23 | H82 | H83 | 119.9° | 120.0° |
| O18 | C58 | C59 | N25 | 177.3° | 180.0° |
| O18 | C58 | C59 | N24 | 173.1° | 180.0° |
| O18 | C58 | C59 | C60 | 4.1° | 0.1° |
| O18 | C58 | N25 | C61 | 0.2° | 0.0° |
| O18 | C58 | N25 | H85 | 179.8° | 180.0° |
| C58 | C59 | N24 | C60 | 177.8° | 179.9° |
| C58 | C59 | C60 | O19 | 178.8° | 179.9° |
| C58 | C59 | C60 | H84 | 1.2° | 0.0° |
| C59 | C58 | N25 | C61 | 177.4° | 180.0° |
| C59 | C58 | N25 | H85 | 2.6° | 0.0° |
| C58 | C59 | N24 | C53 | 178.6° | 179.9° |
| N24 | C59 | C60 | O19 | 1.2° | 0.0° |
| N24 | C59 | C60 | H84 | 178.8° | 179.9° |
| C59 | N24 | C53 | O19 | 0.2° | 0.3° |
| N24 | C59 | C58 | N25 | 4.2° | 0.1° |
| C59 | C60 | O19 | H84 | 180.0° | 179.8° |
| C60 | C59 | N24 | C53 | 0.8° | 0.2° |
| C59 | C60 | O19 | C53 | 1.0° | 0.2° |
| C60 | C59 | C58 | N25 | 178.6° | 179.8° |
| C60 | O19 | C53 | N24 | 0.5° | 0.3° |
| H84 | C60 | O19 | C53 | 179.0° | 180.0° |
| C61 | N25 | H85 | C58 | 180.0° | 180.0° |
| N25 | C61 | C62 | C63 | 123.7° | 120.1° |
| N25 | C61 | C62 | H86 | 120.4° | 119.9° |
| N25 | C61 | C63 | H86 | 117.1° | 120.0° |
| N25 | C61 | C62 | O20 | 179.8° | 0.1° |
| N25 | C61 | C63 | O21 | 66.2° | 65.0° |
| N25 | C61 | C63 | H87 | 173.4° | 175.0° |
| N25 | C61 | C63 | H88 | 54.2° | 55.0° |
| N25 | C61 | C62 | N26 | 0.3° | 180.0° |
| H85 | N25 | C61 | C62 | 76.0° | 25.0° |
| H85 | N25 | C61 | C63 | 47.5° | 95.0° |
| H85 | N25 | C61 | H86 | 164.1° | 145.0° |
| C62 | C61 | C63 | H86 | 116.0° | 119.9° |
| C61 | C62 | O20 | N26 | 179.9° | 179.9° |
| C62 | C61 | C63 | O21 | 60.8° | 55.1° |
| C62 | C61 | C63 | H87 | 59.6° | 65.0° |
| C62 | C61 | C63 | H88 | 178.8° | 175.0° |
| C61 | C62 | N26 | C64 | 179.9° | 180.0° |
| C61 | C62 | N26 | H90 | 0.1° | 0.1° |
| C62 | C61 | N25 | C58 | 104.0° | 155.0° |
| C63 | C61 | C62 | O20 | 56.2° | 120.0° |
| C61 | C63 | O21 | H87 | 120.4° | 120.0° |
| C61 | C63 | O21 | H88 | 120.4° | 120.0° |
| C61 | C63 | H87 | H88 | 118.8° | 120.0° |
| C61 | C63 | O21 | H89 | 180.0° | 180.0° |
| C63 | C61 | N25 | C58 | 132.5° | 85.0° |
| C63 | C61 | C62 | N26 | 124.0° | 59.9° |
| H86 | C61 | C62 | O20 | 59.8° | 120.0° |
| H86 | C61 | C63 | O21 | 176.7° | 175.0° |
| H86 | C61 | C63 | H87 | 56.3° | 55.0° |
| H86 | C61 | C63 | H88 | 62.9° | 65.0° |
| H86 | C61 | N25 | C58 | 15.9° | 35.1° |
| H86 | C61 | C62 | N26 | 120.1° | 60.1° |
| O20 | C62 | N26 | C64 | 0.2° | 0.1° |
| O20 | C62 | N26 | H90 | 179.8° | 180.0° |
| O21 | C63 | H87 | H88 | 118.8° | 120.0° |
| H87 | C63 | O21 | H89 | 59.6° | 60.0° |
| H88 | C63 | O21 | H89 | 59.6° | 60.0° |
| C64 | N26 | H90 | C62 | 180.0° | 180.0° |
| N26 | C64 | C65 | H91 | 120.5° | 120.0° |
| N26 | C64 | C65 | H92 | 120.5° | 120.0° |
| N26 | C64 | H91 | H92 | 118.5° | 120.0° |
| N26 | C64 | C65 | N27 | 86.1° | 90.0° |
| N26 | C64 | C65 | O23 | 94.1° | 90.3° |
| H90 | N26 | C64 | C65 | 46.5° | 0.0° |
| H90 | N26 | C64 | H91 | 167.0° | 120.0° |
| H90 | N26 | C64 | H92 | 74.0° | 120.0° |
| C65 | C64 | H91 | H92 | 118.5° | 120.0° |
| C64 | C65 | N27 | C67 | 179.0° | 180.0° |
| C64 | C65 | O23 | C68 | 178.5° | 180.0° |
| C65 | C64 | N26 | C62 | 133.5° | 180.0° |
| C64 | C65 | N27 | O23 | 179.8° | 179.7° |
| H91 | C64 | N26 | C62 | 13.0° | 60.0° |
| H91 | C64 | C65 | N27 | 34.4° | 30.0° |
| H91 | C64 | C65 | O23 | 145.5° | 149.7° |
| H92 | C64 | N26 | C62 | 106.0° | 59.9° |
| H92 | C64 | C65 | N27 | 153.4° | 150.0° |
| H92 | C64 | C65 | O23 | 26.5° | 29.7° |
| O22 | C66 | C67 | N28 | 178.4° | 180.0° |
| O22 | C66 | C67 | N27 | 174.7° | 180.0° |
| O22 | C66 | C67 | C68 | 2.3° | 0.3° |
| O22 | C66 | N28 | C69 | 0.5° | 0.0° |
| O22 | C66 | N28 | H94 | 179.5° | 180.0° |
| C66 | C67 | N27 | C68 | 177.4° | 179.8° |
| C66 | C67 | C68 | O23 | 178.3° | 179.8° |
| C66 | C67 | C68 | H93 | 1.7° | 0.1° |
| C67 | C66 | N28 | C69 | 177.9° | 180.0° |
| C67 | C66 | N28 | H94 | 2.1° | 0.0° |
| C66 | C67 | N27 | C65 | 177.3° | 180.0° |
| N27 | C67 | C68 | O23 | 0.9° | 0.0° |
| N27 | C67 | C68 | H93 | 179.1° | 179.9° |
| C67 | N27 | C65 | O23 | 1.2° | 0.3° |
| N27 | C67 | C66 | N28 | 3.8° | 0.0° |
| C67 | C68 | O23 | H93 | 180.0° | 179.9° |
| C68 | C67 | N27 | C65 | 0.2° | 0.2° |
| C67 | C68 | O23 | C65 | 1.5° | 0.2° |
| C68 | C67 | C66 | N28 | 179.3° | 179.8° |
| C68 | O23 | C65 | N27 | 1.6° | 0.3° |
| H93 | C68 | O23 | C65 | 178.5° | 180.0° |
| C69 | N28 | H94 | C66 | 180.0° | 180.0° |
| N28 | C69 | C70 | C71 | 122.8° | 120.1° |
| N28 | C69 | C70 | H95 | 119.9° | 119.9° |
| N28 | C69 | C71 | H95 | 118.3° | 120.0° |
| N28 | C69 | C70 | O24 | 67.4° | 0.1° |
| N28 | C69 | C71 | H96 | 180.0° | 180.0° |
| N28 | C69 | C71 | H97 | 60.0° | 60.0° |
| N28 | C69 | C71 | H98 | 60.0° | 60.0° |
| N28 | C69 | C70 | N29 | 113.6° | 180.0° |
| H94 | N28 | C69 | C70 | 108.1° | 25.1° |
| H94 | N28 | C69 | C71 | 14.5° | 95.0° |
| H94 | N28 | C69 | H95 | 132.4° | 145.0° |
| C70 | C69 | C71 | H95 | 117.3° | 120.0° |
| C69 | C70 | O24 | N29 | 178.9° | 179.9° |
| C70 | C69 | C71 | H96 | 55.6° | 59.9° |
| C70 | C69 | C71 | H97 | 175.6° | 180.0° |
| C70 | C69 | C71 | H98 | 64.4° | 60.0° |
| C69 | C70 | N29 | C72 | 176.6° | 180.0° |
| C69 | C70 | N29 | H99 | 3.3° | 0.1° |
| C70 | C69 | N28 | C66 | 71.9° | 154.9° |
| C71 | C69 | C70 | O24 | 55.4° | 120.0° |
| C69 | C71 | H96 | H97 | 120.0° | 120.1° |
| C69 | C71 | H96 | H98 | 120.0° | 119.9° |
| C69 | C71 | H97 | H98 | 120.0° | 119.9° |
| C71 | C69 | N28 | C66 | 165.5° | 85.0° |
| C71 | C69 | C70 | N29 | 123.6° | 59.9° |
| H95 | C69 | C70 | O24 | 172.7° | 120.0° |
| H95 | C69 | C71 | H96 | 61.7° | 60.1° |
| H95 | C69 | C71 | H97 | 58.3° | 60.0° |
| H95 | C69 | C71 | H98 | 178.3° | 180.0° |
| H95 | C69 | N28 | C66 | 47.6° | 35.0° |
| H95 | C69 | C70 | N29 | 6.3° | 60.1° |
| O24 | C70 | N29 | C72 | 2.3° | 0.0° |
| O24 | C70 | N29 | H99 | 177.7° | 180.0° |
| H96 | C71 | H97 | H98 | 120.0° | 120.0° |
| C72 | N29 | H99 | C70 | 180.0° | 180.0° |
| N29 | C72 | C73 | C74 | 123.0° | 120.0° |
| N29 | C72 | C73 | H100 | 119.2° | 119.9° |
| N29 | C72 | C74 | H100 | 119.1° | 120.0° |
| N29 | C72 | C73 | O25 | 111.5° | 0.0° |
| N29 | C72 | C73 | O27 | 63.5° | 180.0° |
| N29 | C72 | C74 | O26 | 67.1° | 65.0° |
| N29 | C72 | C74 | H101 | 53.2° | 174.9° |
| N29 | C72 | C74 | H102 | 172.7° | 55.0° |
| H99 | N29 | C72 | C73 | 106.6° | 95.0° |
| H99 | N29 | C72 | C74 | 16.2° | 25.0° |
| H99 | N29 | C72 | H100 | 134.7° | 145.0° |
| C73 | C72 | C74 | H100 | 117.8° | 120.0° |
| C72 | C73 | O25 | O27 | 5.7° | 180.0° |
| C73 | C72 | C74 | O26 | 169.8° | 55.0° |
| C73 | C72 | C74 | H101 | 69.9° | 65.1° |
| C73 | C72 | C74 | H102 | 49.6° | 175.0° |
| C72 | C73 | O27 | H104 | 90.0° | 180.0° |
| C73 | C72 | N29 | C70 | 73.4° | 85.0° |
| C74 | C72 | C73 | O25 | 11.5° | 120.0° |
| C74 | C72 | C73 | O27 | 173.6° | 60.0° |
| C72 | C74 | O26 | H101 | 120.3° | 120.0° |
| C72 | C74 | O26 | H102 | 120.2° | 120.0° |
| C72 | C74 | H101 | H102 | 119.2° | 119.9° |
| C72 | C74 | O26 | H103 | 180.0° | 180.0° |
| C74 | C72 | N29 | C70 | 163.8° | 155.0° |
| H100 | C72 | C73 | O25 | 129.3° | 120.0° |
| H100 | C72 | C73 | O27 | 55.8° | 60.1° |
| H100 | C72 | C74 | O26 | 52.0° | 175.0° |
| H100 | C72 | C74 | H101 | 172.3° | 55.0° |
| H100 | C72 | C74 | H102 | 68.2° | 65.0° |
| H100 | C72 | N29 | C70 | 45.3° | 35.0° |
| O25 | C73 | O27 | H104 | 90.0° | 0.0° |
| O26 | C74 | H101 | H102 | 119.2° | 120.0° |
| H101 | C74 | O26 | H103 | 59.7° | 60.0° |
| H102 | C74 | O26 | H103 | 59.8° | 60.0° |
