PRD_000195
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| 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 | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.22Å | 1.21Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| N2 | C4 | sing | 1.46Å | 1.49Å | |
| N2 | H6 | sing | 0.98Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.47Å | 1.49Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.37Å | 1.30Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | N4 | sing | 1.33Å | 1.31Å | |
| C9 | N5 | doub | 1.33Å | 1.30Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | C10 | sing | 1.47Å | 1.49Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.21Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.22Å | |
| C14 | N7 | sing | 1.35Å | 1.31Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| N8 | C15 | sing | 1.46Å | 1.50Å | |
| N8 | H27 | sing | 0.98Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | H28 | sing | 1.10Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.22Å | |
| N9 | C18 | sing | 1.47Å | 1.49Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.21Å | |
| C20 | S2 | sing | 1.81Å | 1.81Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N10 | C21 | sing | 1.46Å | 1.49Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | O7 | doub | 1.22Å | 1.22Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| N11 | C24 | sing | 1.47Å | 1.49Å | |
| N11 | H39 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | O8 | doub | 1.21Å | 1.21Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H45 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | H46 | sing | 1.08Å | 1.08Å | |
| C32 | H47 | sing | 1.08Å | 1.08Å | |
| N12 | C33 | sing | 1.48Å | 1.49Å | |
| N12 | H48 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | O9 | doub | 1.21Å | 1.21Å | |
| N13 | C35 | sing | 1.47Å | 1.47Å | |
| N13 | C39 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | sing | 1.50Å | 1.53Å | |
| C35 | C37 | sing | 1.54Å | 1.53Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | O10 | doub | 1.21Å | 1.21Å | |
| C37 | C38 | sing | 1.54Å | 1.55Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.54Å | 1.54Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| N14 | C40 | sing | 1.46Å | 1.49Å | |
| N14 | H58 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | O11 | doub | 1.21Å | 1.22Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H62 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | H63 | sing | 1.08Å | 1.08Å | |
| C46 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | H64 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | H65 | sing | 1.08Å | 1.08Å | |
| C48 | H66 | sing | 1.08Å | 1.08Å | |
| N15 | C49 | sing | 1.46Å | 1.49Å | |
| C49 | C50 | sing | 1.51Å | 1.53Å | |
| C49 | C51 | sing | 1.53Å | 1.53Å | |
| C50 | O12 | doub | 1.22Å | 1.22Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| N15 | H67 | sing | 0.97Å | 1.00Å | |
| C49 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | H69 | sing | 1.09Å | 1.10Å | |
| C52 | H70 | sing | 1.09Å | 1.10Å | |
| C52 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| N16 | C53 | sing | 1.47Å | 1.49Å | |
| N16 | H73 | sing | 0.97Å | 1.00Å | |
| C53 | C54 | sing | 1.50Å | 1.53Å | |
| C53 | C55 | sing | 1.53Å | 1.53Å | |
| C53 | H74 | sing | 1.08Å | 1.10Å | |
| C54 | O13 | doub | 1.23Å | 1.22Å | |
| C55 | C56 | sing | 1.51Å | 1.51Å | |
| C55 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C56 | C57 | doub | 1.38Å | 1.40Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.40Å | Aromatic |
| C57 | C59 | sing | 1.38Å | 1.40Å | Aromatic |
| C57 | H77 | sing | 1.08Å | 1.08Å | |
| C58 | C60 | doub | 1.38Å | 1.40Å | Aromatic |
| C58 | H78 | sing | 1.08Å | 1.08Å | |
| C59 | C61 | doub | 1.38Å | 1.40Å | Aromatic |
| C59 | H79 | sing | 1.08Å | 1.08Å | |
| C60 | C61 | sing | 1.38Å | 1.40Å | Aromatic |
| C60 | H80 | sing | 1.08Å | 1.08Å | |
| C61 | H81 | sing | 1.08Å | 1.08Å | |
| N17 | C62 | sing | 1.51Å | 1.49Å | |
| N17 | H82 | sing | 0.99Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.53Å | |
| C62 | C64 | sing | 1.54Å | 1.53Å | |
| C62 | H83 | sing | 1.08Å | 1.10Å | |
| C63 | O14 | doub | 1.22Å | 1.21Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.53Å | |
| C64 | H84 | sing | 1.09Å | 1.10Å | |
| C65 | H85 | sing | 1.09Å | 1.10Å | |
| C65 | H86 | sing | 1.09Å | 1.10Å | |
| C65 | H87 | sing | 1.09Å | 1.10Å | |
| C66 | H88 | sing | 1.09Å | 1.10Å | |
| C66 | H89 | sing | 1.09Å | 1.10Å | |
| C66 | H90 | sing | 1.09Å | 1.10Å | |
| N18 | C67 | sing | 1.47Å | 1.49Å | |
| N18 | H91 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.51Å | 1.53Å | |
| C67 | C69 | sing | 1.53Å | 1.53Å | |
| C67 | H92 | sing | 1.09Å | 1.10Å | |
| C68 | O15 | doub | 1.21Å | 1.21Å | |
| C69 | S3 | sing | 1.81Å | 1.81Å | |
| C69 | H93 | sing | 1.09Å | 1.10Å | |
| C69 | H94 | sing | 1.09Å | 1.10Å | |
| C70 | O16 | doub | 1.22Å | 1.21Å | |
| C70 | C71 | sing | 1.51Å | 1.53Å | |
| N19 | C71 | sing | 1.46Å | 1.49Å | |
| N19 | H98 | sing | 0.98Å | 1.00Å | |
| C71 | C72 | sing | 1.53Å | 1.58Å | |
| C71 | H95 | sing | 1.09Å | 1.10Å | |
| C72 | H96 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.51Å | 1.49Å | |
| O17 | C72 | sing | 1.43Å | 1.48Å | |
| C73 | O19 | doub | 1.21Å | 1.22Å | |
| C73 | O18 | sing | 1.34Å | 1.22Å | |
| O18 | H99 | sing | 0.97Å | 0.95Å | |
| H97 | O17 | sing | 0.97Å | 0.95Å | |
| N20 | C74 | sing | 1.47Å | 1.49Å | |
| N20 | H100 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | H101 | sing | 1.09Å | 1.10Å | |
| C74 | H102 | sing | 1.09Å | 1.10Å | |
| C75 | O20 | doub | 1.21Å | 1.22Å | |
| N21 | C76 | sing | 1.46Å | 1.49Å | |
| N21 | H103 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.51Å | 1.53Å | |
| C76 | C78 | sing | 1.53Å | 1.53Å | |
| C76 | H104 | sing | 1.09Å | 1.10Å | |
| C77 | O21 | doub | 1.21Å | 1.22Å | |
| C78 | C79 | sing | 1.51Å | 1.53Å | |
| C78 | H105 | sing | 1.09Å | 1.10Å | |
| C78 | H106 | sing | 1.09Å | 1.10Å | |
| C79 | O22 | doub | 1.21Å | 1.22Å | |
| C79 | N22 | sing | 1.35Å | 1.30Å | |
| N22 | H107 | sing | 0.97Å | 1.00Å | |
| N22 | H108 | sing | 0.97Å | 1.00Å | |
| N23 | C80 | sing | 1.46Å | 1.49Å | |
| C80 | C81 | sing | 1.50Å | 1.53Å | |
| C80 | C82 | sing | 1.53Å | 1.53Å | |
| C81 | O23 | doub | 1.22Å | 1.22Å | |
| C82 | C83 | sing | 1.53Å | 1.53Å | |
| N23 | H109 | sing | 0.98Å | 1.00Å | |
| C80 | H110 | sing | 1.10Å | 1.10Å | |
| C82 | H111 | sing | 1.09Å | 1.10Å | |
| C83 | H112 | sing | 1.09Å | 1.10Å | |
| C83 | H113 | sing | 1.09Å | 1.10Å | |
| C83 | H114 | sing | 1.09Å | 1.10Å | |
| N24 | C84 | sing | 1.47Å | 1.49Å | |
| N24 | H115 | sing | 0.97Å | 1.00Å | |
| C84 | C85 | sing | 1.51Å | 1.53Å | |
| C84 | C86 | sing | 1.53Å | 1.53Å | |
| C84 | H116 | sing | 1.09Å | 1.10Å | |
| C85 | O24 | doub | 1.21Å | 1.22Å | |
| C85 | O25 | sing | 1.34Å | 1.22Å | |
| C86 | C87 | sing | 1.53Å | 1.53Å | |
| C86 | H117 | sing | 1.09Å | 1.10Å | |
| C86 | H118 | sing | 1.09Å | 1.10Å | |
| C87 | C88 | sing | 1.53Å | 1.53Å | |
| C87 | H119 | sing | 1.09Å | 1.10Å | |
| C87 | H120 | sing | 1.09Å | 1.10Å | |
| C88 | C89 | sing | 1.52Å | 1.53Å | |
| C88 | H121 | sing | 1.09Å | 1.10Å | |
| C88 | H122 | sing | 1.09Å | 1.10Å | |
| C89 | N25 | sing | 1.47Å | 1.49Å | |
| C89 | H123 | sing | 1.09Å | 1.10Å | |
| C89 | H124 | sing | 1.09Å | 1.10Å | |
| N25 | H125 | sing | 1.01Å | 1.00Å | |
| N25 | H126 | sing | 1.01Å | 1.00Å | |
| O25 | H127 | sing | 0.97Å | 0.95Å | |
| S1 | C82 | sing | 1.81Å | 1.81Å | |
| C11 | N8 | sing | 1.35Å | 1.31Å | |
| C16 | S3 | sing | 1.81Å | 1.81Å | |
| C17 | N9 | sing | 1.35Å | 1.30Å | |
| S2 | C51 | sing | 1.81Å | 1.81Å | |
| C23 | N25 | sing | 1.47Å | 1.49Å | |
| C41 | N15 | sing | 1.35Å | 1.31Å | |
| C50 | N16 | sing | 1.34Å | 1.31Å | |
| C68 | N19 | sing | 1.35Å | 1.31Å | |
| C70 | N20 | sing | 1.35Å | 1.31Å | |
| C77 | N23 | sing | 1.34Å | 1.31Å | |
| C81 | N24 | sing | 1.35Å | 1.30Å | |
| C2 | N2 | sing | 1.34Å | 1.30Å | |
| C5 | N6 | sing | 1.35Å | 1.30Å | |
| C19 | N10 | sing | 1.35Å | 1.30Å | |
| C22 | N11 | sing | 1.34Å | 1.31Å | |
| C25 | N12 | sing | 1.35Å | 1.30Å | |
| C34 | N13 | sing | 1.34Å | 1.31Å | |
| C36 | N14 | sing | 1.35Å | 1.30Å | |
| C54 | N17 | sing | 1.39Å | 1.30Å | |
| C63 | N18 | sing | 1.34Å | 1.31Å | |
| C75 | N21 | sing | 1.35Å | 1.30Å |
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 | 109.4° | 109.5° |
| N1 | C1 | C3 | 109.6° | 109.1° |
| N1 | C1 | H3 | 109.8° | 110.1° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 109.3° | 108.7° |
| C2 | C1 | H3 | 109.3° | 110.0° |
| C1 | C2 | O1 | 121.3° | 119.0° |
| C1 | C2 | N2 | 117.4° | 122.2° |
| C3 | C1 | H3 | 109.3° | 109.4° |
| C1 | C3 | S1 | 130.6° | 109.9° |
| C1 | C3 | H4 | 104.0° | 108.9° |
| C1 | C3 | H5 | 104.0° | 108.8° |
| O1 | C2 | N2 | 121.3° | 118.8° |
| S1 | C3 | H4 | 104.0° | 111.4° |
| S1 | C3 | H5 | 104.0° | 109.3° |
| C3 | S1 | C82 | 117.5° | 104.5° |
| H4 | C3 | H5 | 109.5° | 108.5° |
| C4 | N2 | H6 | 120.0° | 118.9° |
| N2 | C4 | C5 | 109.2° | 108.9° |
| N2 | C4 | C6 | 109.7° | 109.4° |
| N2 | C4 | H7 | 109.9° | 110.3° |
| C4 | N2 | C2 | 120.1° | 122.3° |
| H6 | N2 | C2 | 119.9° | 118.8° |
| C5 | C4 | C6 | 109.4° | 109.2° |
| C5 | C4 | H7 | 109.3° | 109.5° |
| C4 | C5 | O2 | 121.2° | 119.3° |
| C4 | C5 | N6 | 117.7° | 120.3° |
| C6 | C4 | H7 | 109.3° | 109.6° |
| C4 | C6 | C7 | 109.7° | 109.4° |
| C4 | C6 | H8 | 109.4° | 109.5° |
| C4 | C6 | H9 | 109.4° | 109.5° |
| O2 | C5 | N6 | 121.1° | 120.4° |
| C7 | C6 | H8 | 109.4° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C6 | C7 | C8 | 109.7° | 109.4° |
| C6 | C7 | H10 | 109.4° | 109.5° |
| C6 | C7 | H11 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | H10 | 109.4° | 109.5° |
| C8 | C7 | H11 | 109.4° | 109.5° |
| C7 | C8 | N3 | 109.7° | 109.4° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| C7 | C8 | H13 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| N3 | C8 | H12 | 109.4° | 109.5° |
| N3 | C8 | H13 | 109.4° | 109.5° |
| C8 | N3 | C9 | 120.1° | 119.9° |
| C8 | N3 | H14 | 120.0° | 120.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C9 | N3 | H14 | 120.0° | 120.1° |
| N3 | C9 | N4 | 120.0° | 120.1° |
| N3 | C9 | N5 | 120.0° | 119.9° |
| N4 | C9 | N5 | 120.0° | 120.0° |
| C9 | N4 | H15 | 120.0° | 120.0° |
| C9 | N4 | H16 | 120.0° | 120.0° |
| C9 | N5 | H17 | 120.0° | 120.0° |
| C9 | N5 | H18 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| H17 | N5 | H18 | 120.0° | 120.1° |
| C10 | N6 | H19 | 120.1° | 120.3° |
| N6 | C10 | C11 | 109.8° | 109.9° |
| N6 | C10 | C12 | 109.4° | 109.3° |
| N6 | C10 | H20 | 109.8° | 109.9° |
| C10 | N6 | C5 | 119.8° | 119.6° |
| H19 | N6 | C5 | 120.1° | 120.1° |
| C11 | C10 | C12 | 109.4° | 109.1° |
| C11 | C10 | H20 | 109.2° | 109.2° |
| C10 | C11 | O3 | 120.6° | 119.7° |
| C10 | C11 | N8 | 117.0° | 119.2° |
| C12 | C10 | H20 | 109.2° | 109.4° |
| C10 | C12 | C13 | 109.5° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.5° |
| C10 | C12 | H22 | 109.5° | 109.4° |
| O3 | C11 | N8 | 122.4° | 121.1° |
| C13 | C12 | H21 | 109.5° | 109.5° |
| C13 | C12 | H22 | 109.5° | 109.5° |
| C12 | C13 | C14 | 109.6° | 109.5° |
| C12 | C13 | H23 | 109.4° | 109.5° |
| C12 | C13 | H24 | 109.4° | 109.4° |
| H21 | C12 | H22 | 109.4° | 109.5° |
| C14 | C13 | H23 | 109.5° | 109.5° |
| C14 | C13 | H24 | 109.5° | 109.5° |
| C13 | C14 | O4 | 120.7° | 120.0° |
| C13 | C14 | N7 | 119.4° | 120.0° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| O4 | C14 | N7 | 119.9° | 120.0° |
| C14 | N7 | H25 | 120.0° | 120.0° |
| C14 | N7 | H26 | 120.0° | 119.9° |
| H25 | N7 | H26 | 120.0° | 120.0° |
| C15 | N8 | H27 | 119.1° | 118.6° |
| N8 | C15 | C16 | 111.1° | 111.0° |
| N8 | C15 | C17 | 109.0° | 110.3° |
| N8 | C15 | H28 | 109.8° | 109.0° |
| C15 | N8 | C11 | 121.7° | 122.5° |
| H27 | N8 | C11 | 119.2° | 118.9° |
| C16 | C15 | C17 | 108.3° | 109.8° |
| C16 | C15 | H28 | 109.3° | 108.6° |
| C15 | C16 | H29 | 109.4° | 109.8° |
| C15 | C16 | H30 | 109.5° | 109.4° |
| C15 | C16 | S3 | 109.6° | 109.1° |
| C17 | C15 | H28 | 109.4° | 108.1° |
| C15 | C17 | O5 | 121.2° | 120.3° |
| C15 | C17 | N9 | 117.6° | 119.7° |
| H29 | C16 | H30 | 109.5° | 109.8° |
| H29 | C16 | S3 | 109.5° | 109.1° |
| H30 | C16 | S3 | 109.4° | 109.6° |
| O5 | C17 | N9 | 121.2° | 120.0° |
| C18 | N9 | H31 | 120.0° | 120.0° |
| N9 | C18 | C19 | 109.4° | 109.2° |
| N9 | C18 | C20 | 109.5° | 109.3° |
| N9 | C18 | H32 | 109.9° | 109.9° |
| C18 | N9 | C17 | 120.0° | 120.5° |
| H31 | N9 | C17 | 120.0° | 119.6° |
| C19 | C18 | C20 | 109.4° | 109.5° |
| C19 | C18 | H32 | 109.3° | 109.9° |
| C18 | C19 | O6 | 121.3° | 120.1° |
| C18 | C19 | N10 | 117.3° | 119.9° |
| C20 | C18 | H32 | 109.3° | 109.0° |
| C18 | C20 | S2 | 159.1° | 109.9° |
| C18 | C20 | H33 | 96.0° | 109.0° |
| C18 | C20 | H34 | 96.0° | 109.5° |
| O6 | C19 | N10 | 121.3° | 120.0° |
| S2 | C20 | H33 | 96.0° | 109.9° |
| S2 | C20 | H34 | 96.0° | 109.5° |
| C20 | S2 | C51 | 100.5° | 103.3° |
| H33 | C20 | H34 | 109.5° | 109.1° |
| C21 | N10 | H35 | 120.0° | 119.9° |
| N10 | C21 | C22 | 109.1° | 109.8° |
| N10 | C21 | C23 | 109.3° | 109.7° |
| N10 | C21 | H36 | 109.9° | 109.3° |
| C21 | N10 | C19 | 120.0° | 120.1° |
| H35 | N10 | C19 | 120.0° | 120.0° |
| C22 | C21 | C23 | 109.7° | 110.0° |
| C22 | C21 | H36 | 109.4° | 108.9° |
| C21 | C22 | O7 | 121.3° | 119.6° |
| C21 | C22 | N11 | 117.3° | 120.7° |
| C23 | C21 | H36 | 109.4° | 109.1° |
| C21 | C23 | H37 | 104.1° | 109.5° |
| C21 | C23 | H38 | 104.1° | 109.8° |
| C21 | C23 | N25 | 130.0° | 109.3° |
| O7 | C22 | N11 | 121.4° | 119.7° |
| H37 | C23 | H38 | 109.5° | 109.6° |
| H37 | C23 | N25 | 104.1° | 109.5° |
| H38 | C23 | N25 | 104.1° | 109.2° |
| C24 | N11 | H39 | 119.8° | 119.8° |
| N11 | C24 | C25 | 109.1° | 109.5° |
| N11 | C24 | C26 | 110.0° | 109.5° |
| N11 | C24 | H40 | 109.8° | 109.3° |
| C24 | N11 | C22 | 120.3° | 120.1° |
| H39 | N11 | C22 | 119.9° | 120.1° |
| C25 | C24 | C26 | 109.4° | 109.4° |
| C25 | C24 | H40 | 109.3° | 109.5° |
| C24 | C25 | O8 | 121.2° | 119.9° |
| C24 | C25 | N12 | 117.6° | 120.2° |
| C26 | C24 | H40 | 109.2° | 109.7° |
| C24 | C26 | C27 | 110.0° | 109.4° |
| C24 | C26 | H41 | 109.3° | 109.5° |
| C24 | C26 | H42 | 109.3° | 109.5° |
| O8 | C25 | N12 | 121.2° | 119.9° |
| C27 | C26 | H41 | 109.4° | 109.4° |
| C27 | C26 | H42 | 109.3° | 109.5° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C26 | C27 | C29 | 120.1° | 120.0° |
| H41 | C26 | H42 | 109.4° | 109.5° |
| C28 | C27 | C29 | 120.0° | 120.0° |
| C27 | C28 | C30 | 120.0° | 120.0° |
| C27 | C28 | H43 | 120.0° | 120.0° |
| C27 | C29 | C31 | 120.0° | 120.0° |
| C27 | C29 | H44 | 120.0° | 120.0° |
| C30 | C28 | H43 | 120.0° | 120.0° |
| C28 | C30 | C32 | 120.0° | 120.0° |
| C28 | C30 | H45 | 120.0° | 120.0° |
| C31 | C29 | H44 | 120.0° | 120.0° |
| C29 | C31 | C32 | 120.0° | 120.0° |
| C29 | C31 | H46 | 120.0° | 120.0° |
| C32 | C30 | H45 | 120.0° | 120.0° |
| C30 | C32 | C31 | 120.0° | 120.0° |
| C30 | C32 | H47 | 120.0° | 120.0° |
| C32 | C31 | H46 | 120.0° | 120.0° |
| C31 | C32 | H47 | 120.0° | 120.0° |
| C33 | N12 | H48 | 120.0° | 120.9° |
| N12 | C33 | C34 | 109.6° | 106.9° |
| N12 | C33 | H49 | 109.5° | 109.9° |
| N12 | C33 | H50 | 109.5° | 109.9° |
| C33 | N12 | C25 | 120.0° | 117.5° |
| H48 | N12 | C25 | 120.0° | 121.6° |
| C34 | C33 | H49 | 109.4° | 110.0° |
| C34 | C33 | H50 | 109.4° | 110.1° |
| C33 | C34 | O9 | 120.5° | 118.9° |
| C33 | C34 | N13 | 115.6° | 121.9° |
| H49 | C33 | H50 | 109.5° | 110.0° |
| O9 | C34 | N13 | 123.8° | 119.2° |
| C35 | N13 | C39 | 114.2° | 109.5° |
| N13 | C35 | C36 | 110.3° | 109.6° |
| N13 | C35 | C37 | 103.6° | 107.9° |
| N13 | C35 | H51 | 111.2° | 109.1° |
| C35 | N13 | C34 | 122.6° | 124.6° |
| N13 | C39 | C38 | 104.2° | 108.0° |
| N13 | C39 | H56 | 110.8° | 109.8° |
| N13 | C39 | H57 | 110.8° | 109.8° |
| C39 | N13 | C34 | 123.2° | 125.8° |
| C36 | C35 | C37 | 110.9° | 110.6° |
| C36 | C35 | H51 | 110.3° | 109.8° |
| C35 | C36 | O10 | 121.3° | 119.6° |
| C35 | C36 | N14 | 117.4° | 120.2° |
| C37 | C35 | H51 | 110.3° | 109.8° |
| C35 | C37 | C38 | 106.4° | 105.7° |
| C35 | C37 | H52 | 110.2° | 110.5° |
| C35 | C37 | H53 | 110.2° | 110.1° |
| O10 | C36 | N14 | 121.3° | 120.1° |
| C38 | C37 | H52 | 110.2° | 110.2° |
| C38 | C37 | H53 | 110.2° | 110.1° |
| C37 | C38 | C39 | 106.6° | 106.6° |
| C37 | C38 | H54 | 110.2° | 110.0° |
| C37 | C38 | H55 | 110.2° | 110.2° |
| H52 | C37 | H53 | 109.5° | 110.2° |
| C39 | C38 | H54 | 110.2° | 110.2° |
| C39 | C38 | H55 | 110.2° | 110.0° |
| C38 | C39 | H56 | 110.7° | 110.0° |
| C38 | C39 | H57 | 110.8° | 109.8° |
| H54 | C38 | H55 | 109.5° | 109.9° |
| H56 | C39 | H57 | 109.5° | 109.5° |
| C40 | N14 | H58 | 120.0° | 119.7° |
| N14 | C40 | C41 | 109.3° | 110.3° |
| N14 | C40 | C42 | 109.5° | 109.0° |
| N14 | C40 | H59 | 109.8° | 109.1° |
| C40 | N14 | C36 | 120.1° | 120.9° |
| H58 | N14 | C36 | 120.0° | 119.5° |
| C41 | C40 | C42 | 109.6° | 109.8° |
| C41 | C40 | H59 | 109.3° | 109.5° |
| C40 | C41 | O11 | 121.2° | 119.5° |
| C40 | C41 | N15 | 117.7° | 120.7° |
| C42 | C40 | H59 | 109.3° | 109.2° |
| C40 | C42 | C43 | 109.3° | 109.5° |
| C40 | C42 | H60 | 109.5° | 109.5° |
| C40 | C42 | H61 | 109.5° | 109.5° |
| O11 | C41 | N15 | 121.1° | 119.8° |
| C43 | C42 | H60 | 109.5° | 109.5° |
| C43 | C42 | H61 | 109.5° | 109.5° |
| C42 | C43 | C44 | 120.1° | 119.9° |
| C42 | C43 | C45 | 120.0° | 120.0° |
| H60 | C42 | H61 | 109.5° | 109.4° |
| C44 | C43 | C45 | 120.0° | 120.0° |
| C43 | C44 | C46 | 120.0° | 120.0° |
| C43 | C44 | H62 | 120.0° | 120.1° |
| C43 | C45 | C47 | 120.0° | 120.0° |
| C43 | C45 | H63 | 120.0° | 120.0° |
| C46 | C44 | H62 | 120.0° | 120.0° |
| C44 | C46 | C48 | 120.0° | 120.0° |
| C44 | C46 | H64 | 120.0° | 120.0° |
| C47 | C45 | H63 | 120.0° | 120.0° |
| C45 | C47 | C48 | 120.0° | 120.0° |
| C45 | C47 | H65 | 120.0° | 120.0° |
| C48 | C46 | H64 | 120.0° | 120.0° |
| C46 | C48 | C47 | 120.0° | 120.0° |
| C46 | C48 | H66 | 120.0° | 120.0° |
| C48 | C47 | H65 | 120.0° | 120.0° |
| C47 | C48 | H66 | 120.0° | 119.9° |
| N15 | C49 | C50 | 110.2° | 110.1° |
| N15 | C49 | C51 | 109.4° | 111.3° |
| C49 | N15 | H67 | 120.1° | 119.8° |
| N15 | C49 | H68 | 109.6° | 109.3° |
| C49 | N15 | C41 | 119.8° | 120.6° |
| C50 | C49 | C51 | 109.6° | 108.7° |
| C49 | C50 | O12 | 121.0° | 118.7° |
| C50 | C49 | H68 | 109.0° | 108.5° |
| C49 | C50 | N16 | 118.2° | 120.7° |
| C49 | C51 | C52 | 109.5° | 109.4° |
| C51 | C49 | H68 | 109.0° | 108.9° |
| C49 | C51 | H69 | 110.5° | 109.1° |
| C49 | C51 | S2 | 109.5° | 110.4° |
| O12 | C50 | N16 | 120.8° | 120.6° |
| C52 | C51 | H69 | 110.5° | 109.1° |
| C51 | C52 | H70 | 109.5° | 109.5° |
| C51 | C52 | H71 | 109.5° | 109.4° |
| C51 | C52 | H72 | 109.5° | 109.4° |
| C52 | C51 | S2 | 109.5° | 109.7° |
| H67 | N15 | C41 | 120.1° | 119.6° |
| H69 | C51 | S2 | 107.3° | 109.1° |
| H70 | C52 | H71 | 109.5° | 109.5° |
| H70 | C52 | H72 | 109.4° | 109.5° |
| H71 | C52 | H72 | 109.5° | 109.5° |
| C53 | N16 | H73 | 120.2° | 118.3° |
| N16 | C53 | C54 | 110.0° | 108.6° |
| N16 | C53 | C55 | 109.6° | 108.8° |
| N16 | C53 | H74 | 109.6° | 108.4° |
| C53 | N16 | C50 | 119.7° | 121.7° |
| H73 | N16 | C50 | 120.1° | 119.9° |
| C54 | C53 | C55 | 109.5° | 109.1° |
| C54 | C53 | H74 | 109.0° | 111.6° |
| C53 | C54 | O13 | 121.1° | 118.6° |
| C53 | C54 | N17 | 117.9° | 122.5° |
| C55 | C53 | H74 | 109.1° | 110.3° |
| C53 | C55 | C56 | 109.8° | 109.5° |
| C53 | C55 | H75 | 109.4° | 109.5° |
| C53 | C55 | H76 | 109.4° | 109.5° |
| O13 | C54 | N17 | 121.0° | 118.9° |
| C56 | C55 | H75 | 109.4° | 109.5° |
| C56 | C55 | H76 | 109.4° | 109.4° |
| C55 | C56 | C57 | 120.1° | 119.9° |
| C55 | C56 | C58 | 120.0° | 120.0° |
| H75 | C55 | H76 | 109.5° | 109.5° |
| C57 | C56 | C58 | 120.0° | 120.0° |
| C56 | C57 | C59 | 120.1° | 119.9° |
| C56 | C57 | H77 | 120.0° | 120.0° |
| C56 | C58 | C60 | 120.0° | 120.0° |
| C56 | C58 | H78 | 120.0° | 120.0° |
| C59 | C57 | H77 | 119.9° | 120.1° |
| C57 | C59 | C61 | 120.0° | 120.0° |
| C57 | C59 | H79 | 120.0° | 119.9° |
| C60 | C58 | H78 | 120.0° | 120.0° |
| C58 | C60 | C61 | 120.0° | 120.0° |
| C58 | C60 | H80 | 120.0° | 120.0° |
| C61 | C59 | H79 | 120.0° | 120.0° |
| C59 | C61 | C60 | 120.0° | 120.0° |
| C59 | C61 | H81 | 120.0° | 120.0° |
| C61 | C60 | H80 | 120.0° | 120.0° |
| C60 | C61 | H81 | 120.0° | 120.0° |
| C62 | N17 | H82 | 120.0° | 123.2° |
| N17 | C62 | C63 | 109.6° | 106.2° |
| N17 | C62 | C64 | 109.5° | 109.1° |
| N17 | C62 | H83 | 109.9° | 112.9° |
| C62 | N17 | C54 | 119.9° | 113.2° |
| H82 | N17 | C54 | 120.1° | 123.7° |
| C63 | C62 | C64 | 109.3° | 109.5° |
| C63 | C62 | H83 | 109.3° | 110.2° |
| C62 | C63 | O14 | 121.4° | 118.6° |
| C62 | C63 | N18 | 117.2° | 121.8° |
| C64 | C62 | H83 | 109.3° | 108.9° |
| C62 | C64 | C65 | 109.5° | 109.5° |
| C62 | C64 | C66 | 109.5° | 109.5° |
| C62 | C64 | H84 | 109.5° | 109.5° |
| O14 | C63 | N18 | 121.4° | 119.6° |
| C65 | C64 | C66 | 109.5° | 109.5° |
| C65 | C64 | H84 | 109.5° | 109.5° |
| C64 | C65 | H85 | 109.5° | 109.5° |
| C64 | C65 | H86 | 109.4° | 109.5° |
| C64 | C65 | H87 | 109.5° | 109.5° |
| C66 | C64 | H84 | 109.4° | 109.4° |
| C64 | C66 | H88 | 109.5° | 109.5° |
| C64 | C66 | H89 | 109.5° | 109.5° |
| C64 | C66 | H90 | 109.5° | 109.4° |
| H85 | C65 | H86 | 109.5° | 109.5° |
| H85 | C65 | H87 | 109.5° | 109.4° |
| H86 | C65 | H87 | 109.5° | 109.4° |
| H88 | C66 | H89 | 109.5° | 109.5° |
| H88 | C66 | H90 | 109.4° | 109.5° |
| H89 | C66 | H90 | 109.5° | 109.5° |
| C67 | N18 | H91 | 119.7° | 118.9° |
| N18 | C67 | C68 | 109.2° | 110.4° |
| N18 | C67 | C69 | 109.8° | 109.4° |
| N18 | C67 | H92 | 109.7° | 109.6° |
| C67 | N18 | C63 | 120.5° | 119.7° |
| H91 | N18 | C63 | 119.8° | 121.4° |
| C68 | C67 | C69 | 109.7° | 109.2° |
| C68 | C67 | H92 | 109.2° | 109.0° |
| C67 | C68 | O15 | 121.3° | 119.7° |
| C67 | C68 | N19 | 117.4° | 119.1° |
| C69 | C67 | H92 | 109.2° | 109.2° |
| C67 | C69 | S3 | 106.8° | 109.3° |
| C67 | C69 | H93 | 110.2° | 109.5° |
| C67 | C69 | H94 | 110.1° | 109.1° |
| O15 | C68 | N19 | 121.3° | 121.1° |
| S3 | C69 | H93 | 110.1° | 109.7° |
| S3 | C69 | H94 | 110.1° | 109.3° |
| C69 | S3 | C16 | 165.4° | 103.1° |
| H93 | C69 | H94 | 109.5° | 109.8° |
| O16 | C70 | C71 | 121.1° | 119.1° |
| O16 | C70 | N20 | 121.2° | 120.1° |
| C70 | C71 | N19 | 109.7° | 109.2° |
| C70 | C71 | C72 | 109.5° | 109.1° |
| C70 | C71 | H95 | 109.4° | 109.4° |
| C71 | C70 | N20 | 117.7° | 120.7° |
| C71 | N19 | H98 | 120.0° | 119.2° |
| N19 | C71 | C72 | 109.5° | 109.8° |
| N19 | C71 | H95 | 110.0° | 109.7° |
| C71 | N19 | C68 | 120.0° | 121.5° |
| H98 | N19 | C68 | 120.0° | 119.3° |
| C72 | C71 | H95 | 108.8° | 109.5° |
| C71 | C72 | H96 | 102.6° | 109.5° |
| C71 | C72 | C73 | 119.3° | 109.5° |
| C71 | C72 | O17 | 105.8° | 109.4° |
| H96 | C72 | C73 | 103.4° | 109.5° |
| H96 | C72 | O17 | 103.5° | 109.5° |
| C73 | C72 | O17 | 119.6° | 109.4° |
| C72 | C73 | O19 | 118.1° | 120.0° |
| C72 | C73 | O18 | 117.9° | 120.0° |
| C72 | O17 | H97 | 109.5° | 114.1° |
| O19 | C73 | O18 | 124.0° | 119.9° |
| C73 | O18 | H99 | 109.5° | 117.0° |
| C74 | N20 | H100 | 120.1° | 120.4° |
| N20 | C74 | C75 | 109.7° | 110.5° |
| N20 | C74 | H101 | 109.4° | 109.3° |
| N20 | C74 | H102 | 109.4° | 109.4° |
| C74 | N20 | C70 | 119.8° | 118.7° |
| H100 | N20 | C70 | 120.1° | 120.9° |
| C75 | C74 | H101 | 109.4° | 109.3° |
| C75 | C74 | H102 | 109.4° | 108.9° |
| C74 | C75 | O20 | 121.2° | 119.8° |
| C74 | C75 | N21 | 117.5° | 119.6° |
| H101 | C74 | H102 | 109.5° | 109.5° |
| O20 | C75 | N21 | 121.3° | 120.6° |
| C76 | N21 | H103 | 120.0° | 119.5° |
| N21 | C76 | C77 | 109.5° | 110.3° |
| N21 | C76 | C78 | 109.4° | 108.8° |
| N21 | C76 | H104 | 109.9° | 109.7° |
| C76 | N21 | C75 | 120.0° | 121.0° |
| H103 | N21 | C75 | 120.0° | 119.5° |
| C77 | C76 | C78 | 109.4° | 109.3° |
| C77 | C76 | H104 | 109.3° | 109.4° |
| C76 | C77 | O21 | 121.2° | 119.4° |
| C76 | C77 | N23 | 117.5° | 120.1° |
| C78 | C76 | H104 | 109.3° | 109.2° |
| C76 | C78 | C79 | 109.6° | 109.4° |
| C76 | C78 | H105 | 109.4° | 109.5° |
| C76 | C78 | H106 | 109.4° | 109.4° |
| O21 | C77 | N23 | 121.2° | 120.5° |
| C79 | C78 | H105 | 109.4° | 109.5° |
| C79 | C78 | H106 | 109.4° | 109.5° |
| C78 | C79 | O22 | 120.6° | 120.0° |
| C78 | C79 | N22 | 119.4° | 120.0° |
| H105 | C78 | H106 | 109.5° | 109.5° |
| O22 | C79 | N22 | 120.0° | 120.0° |
| C79 | N22 | H107 | 120.0° | 119.9° |
| C79 | N22 | H108 | 120.0° | 120.1° |
| H107 | N22 | H108 | 120.0° | 120.0° |
| N23 | C80 | C81 | 109.5° | 111.4° |
| N23 | C80 | C82 | 109.5° | 109.9° |
| C80 | N23 | H109 | 120.0° | 118.6° |
| N23 | C80 | H110 | 109.8° | 107.8° |
| C80 | N23 | C77 | 120.0° | 122.6° |
| C81 | C80 | C82 | 109.5° | 112.1° |
| C80 | C81 | O23 | 121.3° | 119.0° |
| C81 | C80 | H110 | 109.3° | 108.2° |
| C80 | C81 | N24 | 117.5° | 122.3° |
| C80 | C82 | C83 | 109.5° | 108.3° |
| C82 | C80 | H110 | 109.3° | 107.4° |
| C80 | C82 | H111 | 110.6° | 110.4° |
| C80 | C82 | S1 | 109.4° | 109.1° |
| O23 | C81 | N24 | 121.3° | 118.7° |
| C83 | C82 | H111 | 110.6° | 109.7° |
| C82 | C83 | H112 | 109.5° | 109.5° |
| C82 | C83 | H113 | 109.5° | 109.5° |
| C82 | C83 | H114 | 109.5° | 109.5° |
| C83 | C82 | S1 | 109.4° | 110.0° |
| H109 | N23 | C77 | 120.0° | 118.8° |
| H111 | C82 | S1 | 107.3° | 109.4° |
| H112 | C83 | H113 | 109.5° | 109.5° |
| H112 | C83 | H114 | 109.4° | 109.5° |
| H113 | C83 | H114 | 109.4° | 109.5° |
| C84 | N24 | H115 | 120.0° | 119.4° |
| N24 | C84 | C85 | 109.4° | 109.7° |
| N24 | C84 | C86 | 109.6° | 110.3° |
| N24 | C84 | H116 | 109.8° | 109.3° |
| C84 | N24 | C81 | 120.1° | 119.7° |
| H115 | N24 | C81 | 119.9° | 121.0° |
| C85 | C84 | C86 | 109.5° | 109.9° |
| C85 | C84 | H116 | 109.3° | 108.8° |
| C84 | C85 | O24 | 118.0° | 120.0° |
| C84 | C85 | O25 | 118.0° | 120.0° |
| C86 | C84 | H116 | 109.3° | 108.9° |
| C84 | C86 | C87 | 109.5° | 110.8° |
| C84 | C86 | H117 | 109.5° | 109.3° |
| C84 | C86 | H118 | 109.5° | 109.3° |
| O24 | C85 | O25 | 124.0° | 120.0° |
| C85 | O25 | H127 | 109.5° | 117.0° |
| C87 | C86 | H117 | 109.5° | 109.1° |
| C87 | C86 | H118 | 109.5° | 109.7° |
| C86 | C87 | C88 | 109.5° | 109.4° |
| C86 | C87 | H119 | 109.5° | 110.0° |
| C86 | C87 | H120 | 109.5° | 109.7° |
| H117 | C86 | H118 | 109.5° | 108.7° |
| C88 | C87 | H119 | 109.4° | 108.9° |
| C88 | C87 | H120 | 109.5° | 109.2° |
| C87 | C88 | C89 | 109.5° | 111.1° |
| C87 | C88 | H121 | 109.5° | 109.5° |
| C87 | C88 | H122 | 109.5° | 109.1° |
| H119 | C87 | H120 | 109.5° | 109.6° |
| C89 | C88 | H121 | 109.4° | 109.0° |
| C89 | C88 | H122 | 109.5° | 108.9° |
| C88 | C89 | N25 | 109.4° | 109.8° |
| C88 | C89 | H123 | 109.5° | 109.6° |
| C88 | C89 | H124 | 109.5° | 109.6° |
| H121 | C88 | H122 | 109.5° | 109.3° |
| N25 | C89 | H123 | 109.5° | 109.0° |
| N25 | C89 | H124 | 109.5° | 109.1° |
| C89 | N25 | H125 | 100.9° | 109.3° |
| C89 | N25 | H126 | 100.9° | 109.6° |
| C89 | N25 | C23 | 141.8° | 110.0° |
| H123 | C89 | H124 | 109.5° | 109.8° |
| H125 | N25 | H126 | 109.5° | 109.3° |
| H125 | N25 | C23 | 100.9° | 109.3° |
| H126 | N25 | C23 | 100.9° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 120.0° | 119.1° |
| N1 | C1 | C2 | H3 | 120.3° | 121.1° |
| N1 | C1 | C3 | H3 | 120.4° | 120.4° |
| N1 | C1 | C2 | O1 | 7.7° | 94.9° |
| N1 | C1 | C3 | S1 | 123.8° | 54.0° |
| N1 | C1 | C3 | H4 | 1.1° | 68.2° |
| N1 | C1 | C3 | H5 | 113.4° | 173.7° |
| N1 | C1 | C2 | N2 | 172.4° | 85.2° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 60.1° | 178.9° |
| H1 | N1 | C1 | H3 | 59.9° | 61.1° |
| H2 | N1 | C1 | C2 | 60.0° | 63.9° |
| H2 | N1 | C1 | C3 | 179.9° | 55.0° |
| H2 | N1 | C1 | H3 | 60.1° | 175.0° |
| C2 | C1 | C3 | H3 | 119.7° | 120.2° |
| C1 | C2 | O1 | N2 | 179.9° | 179.9° |
| C2 | C1 | C3 | S1 | 116.2° | 173.5° |
| C2 | C1 | C3 | H4 | 121.1° | 51.2° |
| C2 | C1 | C3 | H5 | 6.5° | 66.9° |
| C1 | C2 | N2 | C4 | 179.9° | 2.3° |
| C1 | C2 | N2 | H6 | 0.1° | 177.6° |
| C3 | C1 | C2 | O1 | 112.3° | 24.2° |
| C1 | C3 | S1 | H4 | 122.7° | 120.8° |
| C1 | C3 | S1 | H5 | 122.7° | 119.3° |
| C1 | C3 | H4 | H5 | 110.6° | 118.2° |
| C1 | C3 | S1 | C82 | 170.2° | 112.7° |
| C3 | C1 | C2 | N2 | 67.6° | 155.7° |
| H3 | C1 | C2 | O1 | 128.1° | 144.0° |
| H3 | C1 | C3 | S1 | 3.4° | 66.4° |
| H3 | C1 | C3 | H4 | 119.3° | 171.3° |
| H3 | C1 | C3 | H5 | 126.2° | 53.3° |
| H3 | C1 | C2 | N2 | 52.0° | 35.9° |
| O1 | C2 | N2 | C4 | 0.0° | 177.8° |
| O1 | C2 | N2 | H6 | 180.0° | 2.3° |
| S1 | C3 | H4 | H5 | 110.6° | 120.4° |
| C3 | S1 | C82 | C80 | 108.7° | 164.2° |
| C3 | S1 | C82 | C83 | 11.3° | 45.5° |
| C3 | S1 | C82 | H111 | 131.3° | 75.0° |
| H4 | C3 | S1 | C82 | 47.5° | 8.1° |
| H5 | C3 | S1 | C82 | 67.1° | 128.0° |
| C4 | N2 | H6 | C2 | 180.0° | 179.9° |
| N2 | C4 | C5 | C6 | 120.0° | 119.4° |
| N2 | C4 | C5 | H7 | 120.3° | 120.6° |
| N2 | C4 | C6 | H7 | 120.6° | 121.0° |
| N2 | C4 | C5 | O2 | 16.9° | 84.3° |
| N2 | C4 | C6 | C7 | 72.1° | 65.0° |
| N2 | C4 | C6 | H8 | 47.9° | 54.9° |
| N2 | C4 | C6 | H9 | 167.9° | 175.0° |
| N2 | C4 | C5 | N6 | 163.0° | 95.5° |
| H6 | N2 | C4 | C5 | 65.7° | 53.7° |
| H6 | N2 | C4 | C6 | 54.1° | 65.5° |
| H6 | N2 | C4 | H7 | 174.4° | 173.8° |
| C5 | C4 | C6 | H7 | 119.7° | 119.9° |
| C4 | C5 | O2 | N6 | 179.9° | 179.8° |
| C5 | C4 | C6 | C7 | 168.2° | 175.9° |
| C5 | C4 | C6 | H8 | 71.8° | 64.1° |
| C5 | C4 | C6 | H9 | 48.2° | 56.0° |
| C4 | C5 | N6 | C10 | 179.9° | 174.9° |
| C4 | C5 | N6 | H19 | 0.1° | 5.4° |
| C5 | C4 | N2 | C2 | 114.3° | 126.4° |
| C6 | C4 | C5 | O2 | 103.1° | 35.0° |
| C4 | C6 | C7 | H8 | 120.0° | 120.0° |
| C4 | C6 | C7 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H9 | 119.9° | 120.0° |
| C4 | C6 | C7 | C8 | 72.5° | 180.0° |
| C4 | C6 | C7 | H10 | 167.4° | 60.0° |
| C4 | C6 | C7 | H11 | 47.5° | 60.0° |
| C6 | C4 | N2 | C2 | 125.9° | 114.4° |
| C6 | C4 | C5 | N6 | 77.0° | 145.1° |
| H7 | C4 | C5 | O2 | 137.2° | 155.0° |
| H7 | C4 | C6 | C7 | 48.5° | 56.0° |
| H7 | C4 | C6 | H8 | 168.5° | 176.0° |
| H7 | C4 | C6 | H9 | 71.6° | 64.0° |
| H7 | C4 | N2 | C2 | 5.6° | 6.3° |
| H7 | C4 | C5 | N6 | 42.7° | 25.1° |
| O2 | C5 | N6 | C10 | 0.1° | 5.0° |
| O2 | C5 | N6 | H19 | 180.0° | 174.8° |
| C7 | C6 | H8 | H9 | 119.9° | 120.0° |
| C6 | C7 | C8 | H10 | 120.0° | 120.0° |
| C6 | C7 | C8 | H11 | 120.1° | 120.0° |
| C6 | C7 | H10 | H11 | 119.9° | 120.0° |
| C6 | C7 | C8 | N3 | 40.8° | 180.0° |
| C6 | C7 | C8 | H12 | 160.9° | 60.0° |
| C6 | C7 | C8 | H13 | 79.2° | 60.1° |
| H8 | C6 | C7 | C8 | 47.5° | 60.0° |
| H8 | C6 | C7 | H10 | 72.6° | 180.0° |
| H8 | C6 | C7 | H11 | 167.5° | 60.0° |
| H9 | C6 | C7 | C8 | 167.4° | 60.0° |
| H9 | C6 | C7 | H10 | 47.4° | 60.0° |
| H9 | C6 | C7 | H11 | 72.5° | 180.0° |
| C8 | C7 | H10 | H11 | 119.9° | 120.0° |
| C7 | C8 | N3 | H12 | 120.1° | 120.0° |
| C7 | C8 | N3 | H13 | 120.0° | 119.9° |
| C7 | C8 | H12 | H13 | 119.9° | 120.0° |
| C7 | C8 | N3 | C9 | 115.7° | 180.0° |
| C7 | C8 | N3 | H14 | 64.3° | 0.0° |
| H10 | C7 | C8 | N3 | 79.2° | 60.0° |
| H10 | C7 | C8 | H12 | 40.8° | 180.0° |
| H10 | C7 | C8 | H13 | 160.7° | 59.9° |
| H11 | C7 | C8 | N3 | 160.9° | 60.0° |
| H11 | C7 | C8 | H12 | 79.0° | 59.9° |
| H11 | C7 | C8 | H13 | 40.8° | 180.0° |
| N3 | C8 | H12 | H13 | 119.9° | 120.0° |
| C8 | N3 | C9 | H14 | 180.0° | 180.0° |
| C8 | N3 | C9 | N4 | 61.5° | 0.1° |
| C8 | N3 | C9 | N5 | 118.2° | 180.0° |
| H12 | C8 | N3 | C9 | 4.4° | 60.0° |
| H12 | C8 | N3 | H14 | 175.6° | 120.0° |
| H13 | C8 | N3 | C9 | 124.3° | 60.1° |
| H13 | C8 | N3 | H14 | 55.7° | 119.9° |
| N3 | C9 | N4 | N5 | 179.8° | 179.9° |
| N3 | C9 | N4 | H15 | 179.7° | 0.0° |
| N3 | C9 | N4 | H16 | 0.3° | 180.0° |
| N3 | C9 | N5 | H17 | 179.8° | 180.0° |
| N3 | C9 | N5 | H18 | 0.3° | 0.0° |
| H14 | N3 | C9 | N4 | 118.5° | 179.9° |
| H14 | N3 | C9 | N5 | 61.8° | 0.0° |
| C9 | N4 | H15 | H16 | 180.0° | 179.9° |
| N4 | C9 | N5 | H17 | 0.0° | 0.0° |
| N4 | C9 | N5 | H18 | 180.0° | 179.9° |
| N5 | C9 | N4 | H15 | 0.0° | 180.0° |
| N5 | C9 | N4 | H16 | 180.0° | 0.1° |
| C9 | N5 | H17 | H18 | 180.0° | 180.0° |
| C10 | N6 | H19 | C5 | 180.0° | 179.8° |
| N6 | C10 | C11 | C12 | 120.1° | 119.9° |
| N6 | C10 | C11 | H20 | 120.4° | 120.6° |
| N6 | C10 | C12 | H20 | 120.2° | 120.4° |
| N6 | C10 | C11 | O3 | 66.3° | 7.4° |
| N6 | C10 | C12 | C13 | 142.6° | 65.1° |
| N6 | C10 | C12 | H21 | 22.5° | 55.0° |
| N6 | C10 | C12 | H22 | 97.4° | 175.0° |
| N6 | C10 | C11 | N8 | 113.3° | 172.7° |
| H19 | N6 | C10 | C11 | 62.7° | 23.4° |
| H19 | N6 | C10 | C12 | 57.4° | 96.4° |
| H19 | N6 | C10 | H20 | 177.3° | 143.6° |
| C11 | C10 | C12 | H20 | 119.5° | 119.4° |
| C10 | C11 | O3 | N8 | 179.6° | 179.9° |
| C11 | C10 | C12 | C13 | 97.1° | 174.7° |
| C11 | C10 | C12 | H21 | 142.9° | 65.2° |
| C11 | C10 | C12 | H22 | 22.9° | 54.8° |
| C10 | C11 | N8 | C15 | 179.9° | 178.2° |
| C10 | C11 | N8 | H27 | 0.1° | 1.5° |
| C11 | C10 | N6 | C5 | 117.3° | 156.4° |
| C12 | C10 | C11 | O3 | 53.9° | 112.5° |
| C10 | C12 | C13 | H21 | 120.0° | 120.0° |
| C10 | C12 | C13 | H22 | 120.0° | 119.9° |
| C10 | C12 | H21 | H22 | 120.0° | 119.9° |
| C10 | C12 | C13 | C14 | 154.7° | 180.0° |
| C10 | C12 | C13 | H23 | 85.3° | 60.0° |
| C10 | C12 | C13 | H24 | 34.7° | 60.0° |
| C12 | C10 | C11 | N8 | 126.5° | 67.4° |
| C12 | C10 | N6 | C5 | 122.6° | 83.9° |
| H20 | C10 | C11 | O3 | 173.3° | 128.0° |
| H20 | C10 | C12 | C13 | 22.4° | 55.3° |
| H20 | C10 | C12 | H21 | 97.6° | 175.4° |
| H20 | C10 | C12 | H22 | 142.4° | 64.7° |
| H20 | C10 | C11 | N8 | 7.1° | 52.1° |
| H20 | C10 | N6 | C5 | 2.8° | 36.2° |
| O3 | C11 | N8 | C15 | 0.5° | 1.7° |
| O3 | C11 | N8 | H27 | 179.5° | 178.6° |
| C13 | C12 | H21 | H22 | 120.0° | 120.0° |
| C12 | C13 | C14 | H23 | 120.0° | 120.0° |
| C12 | C13 | C14 | H24 | 120.0° | 120.0° |
| C12 | C13 | H23 | H24 | 119.9° | 120.0° |
| C12 | C13 | C14 | O4 | 139.7° | 0.0° |
| C12 | C13 | C14 | N7 | 40.2° | 180.0° |
| H21 | C12 | C13 | C14 | 34.7° | 60.0° |
| H21 | C12 | C13 | H23 | 154.7° | 180.0° |
| H21 | C12 | C13 | H24 | 85.4° | 60.0° |
| H22 | C12 | C13 | C14 | 85.3° | 60.1° |
| H22 | C12 | C13 | H23 | 34.7° | 59.9° |
| H22 | C12 | C13 | H24 | 154.7° | 180.0° |
| C14 | C13 | H23 | H24 | 120.0° | 120.0° |
| C13 | C14 | O4 | N7 | 179.9° | 180.0° |
| C13 | C14 | N7 | H25 | 179.9° | 0.0° |
| C13 | C14 | N7 | H26 | 0.0° | 180.0° |
| H23 | C13 | C14 | O4 | 100.3° | 120.0° |
| H23 | C13 | C14 | N7 | 79.8° | 60.0° |
| H24 | C13 | C14 | O4 | 19.7° | 120.0° |
| H24 | C13 | C14 | N7 | 160.2° | 60.0° |
| O4 | C14 | N7 | H25 | 0.0° | 180.0° |
| O4 | C14 | N7 | H26 | 180.0° | 0.0° |
| C14 | N7 | H25 | H26 | 180.0° | 180.0° |
| C15 | N8 | H27 | C11 | 180.0° | 179.7° |
| N8 | C15 | C16 | C17 | 119.7° | 122.2° |
| N8 | C15 | C16 | H28 | 121.2° | 119.8° |
| N8 | C15 | C17 | H28 | 120.0° | 119.1° |
| N8 | C15 | C16 | H29 | 71.9° | 80.5° |
| N8 | C15 | C16 | H30 | 168.1° | 40.1° |
| N8 | C15 | C17 | O5 | 153.0° | 112.8° |
| N8 | C15 | C16 | S3 | 48.1° | 160.0° |
| N8 | C15 | C17 | N9 | 26.9° | 67.4° |
| H27 | N8 | C15 | C16 | 151.8° | 139.9° |
| H27 | N8 | C15 | C17 | 32.5° | 98.2° |
| H27 | N8 | C15 | H28 | 87.3° | 20.3° |
| C16 | C15 | C17 | H28 | 119.0° | 118.3° |
| C15 | C16 | H29 | H30 | 120.0° | 120.3° |
| C15 | C16 | H29 | S3 | 120.1° | 119.5° |
| C15 | C16 | H30 | S3 | 120.1° | 119.6° |
| C16 | C15 | C17 | O5 | 86.0° | 9.8° |
| C15 | C16 | S3 | C69 | 72.1° | 170.1° |
| C16 | C15 | N8 | C11 | 28.2° | 40.4° |
| C16 | C15 | C17 | N9 | 94.0° | 170.0° |
| C17 | C15 | C16 | H29 | 168.4° | 41.7° |
| C17 | C15 | C16 | H30 | 48.4° | 162.3° |
| C15 | C17 | O5 | N9 | 179.9° | 179.8° |
| C15 | C17 | N9 | C18 | 180.0° | 174.3° |
| C15 | C17 | N9 | H31 | 0.0° | 5.4° |
| C17 | C15 | N8 | C11 | 147.5° | 81.5° |
| C17 | C15 | C16 | S3 | 71.6° | 77.8° |
| H28 | C15 | C16 | H29 | 49.3° | 159.7° |
| H28 | C15 | C16 | H30 | 70.6° | 79.7° |
| H28 | C15 | C17 | O5 | 33.0° | 128.1° |
| H28 | C15 | N8 | C11 | 92.7° | 160.0° |
| H28 | C15 | C16 | S3 | 169.3° | 40.2° |
| H28 | C15 | C17 | N9 | 146.9° | 51.7° |
| H29 | C16 | H30 | S3 | 119.9° | 119.9° |
| H29 | C16 | S3 | C69 | 167.8° | 70.0° |
| H30 | C16 | S3 | C69 | 47.9° | 50.2° |
| O5 | C17 | N9 | C18 | 0.0° | 5.5° |
| O5 | C17 | N9 | H31 | 179.9° | 174.8° |
| C18 | N9 | H31 | C17 | 180.0° | 179.7° |
| N9 | C18 | C19 | C20 | 120.0° | 119.6° |
| N9 | C18 | C19 | H32 | 120.4° | 120.6° |
| N9 | C18 | C20 | H32 | 120.4° | 120.1° |
| N9 | C18 | C19 | O6 | 77.0° | 16.0° |
| N9 | C18 | C20 | S2 | 111.9° | 131.8° |
| N9 | C18 | C20 | H33 | 123.3° | 11.4° |
| N9 | C18 | C20 | H34 | 12.9° | 107.9° |
| N9 | C18 | C19 | N10 | 103.1° | 164.1° |
| H31 | N9 | C18 | C19 | 119.2° | 85.8° |
| H31 | N9 | C18 | C20 | 120.9° | 34.0° |
| H31 | N9 | C18 | H32 | 0.8° | 153.5° |
| C19 | C18 | C20 | H32 | 119.7° | 120.3° |
| C18 | C19 | O6 | N10 | 179.9° | 179.8° |
| C19 | C18 | C20 | S2 | 8.0° | 108.6° |
| C19 | C18 | C20 | H33 | 116.8° | 130.9° |
| C19 | C18 | C20 | H34 | 132.8° | 11.7° |
| C18 | C19 | N10 | C21 | 179.9° | 178.1° |
| C18 | C19 | N10 | H35 | 0.1° | 1.6° |
| C19 | C18 | N9 | C17 | 60.8° | 94.5° |
| C20 | C18 | C19 | O6 | 43.0° | 103.6° |
| C18 | C20 | S2 | H33 | 124.8° | 119.9° |
| C18 | C20 | S2 | H34 | 124.8° | 120.3° |
| C18 | C20 | H33 | H34 | 98.6° | 119.5° |
| C20 | C18 | N9 | C17 | 59.1° | 145.8° |
| C18 | C20 | S2 | C51 | 21.7° | 101.8° |
| C20 | C18 | C19 | N10 | 136.9° | 76.3° |
| H32 | C18 | C19 | O6 | 162.7° | 136.7° |
| H32 | C18 | C20 | S2 | 127.7° | 11.7° |
| H32 | C18 | C20 | H33 | 2.9° | 108.7° |
| H32 | C18 | C20 | H34 | 107.5° | 132.0° |
| H32 | C18 | N9 | C17 | 179.2° | 26.2° |
| H32 | C18 | C19 | N10 | 17.3° | 43.5° |
| O6 | C19 | N10 | C21 | 0.0° | 1.7° |
| O6 | C19 | N10 | H35 | 180.0° | 178.6° |
| S2 | C20 | H33 | H34 | 98.6° | 120.0° |
| C20 | S2 | C51 | C49 | 141.2° | 171.0° |
| C20 | S2 | C51 | C52 | 98.8° | 68.4° |
| C20 | S2 | C51 | H69 | 21.2° | 51.1° |
| H33 | C20 | S2 | C51 | 146.5° | 18.1° |
| H34 | C20 | S2 | C51 | 103.2° | 137.9° |
| C21 | N10 | H35 | C19 | 180.0° | 179.7° |
| N10 | C21 | C22 | C23 | 119.7° | 120.8° |
| N10 | C21 | C22 | H36 | 120.3° | 119.6° |
| N10 | C21 | C23 | H36 | 120.4° | 119.6° |
| N10 | C21 | C22 | O7 | 166.2° | 93.8° |
| N10 | C21 | C23 | H37 | 77.6° | 1.1° |
| N10 | C21 | C23 | H38 | 37.1° | 121.5° |
| N10 | C21 | C23 | N25 | 159.7° | 118.8° |
| N10 | C21 | C22 | N11 | 13.5° | 86.0° |
| H35 | N10 | C21 | C22 | 80.3° | 68.5° |
| H35 | N10 | C21 | C23 | 39.6° | 52.5° |
| H35 | N10 | C21 | H36 | 159.7° | 172.0° |
| C22 | C21 | C23 | H36 | 120.0° | 119.4° |
| C21 | C22 | O7 | N11 | 179.7° | 179.8° |
| C22 | C21 | C23 | H37 | 162.8° | 119.8° |
| C22 | C21 | C23 | H38 | 82.5° | 0.6° |
| C21 | C22 | N11 | C24 | 179.8° | 175.8° |
| C21 | C22 | N11 | H39 | 0.3° | 4.6° |
| C22 | C21 | C23 | N25 | 40.1° | 120.3° |
| C22 | C21 | N10 | C19 | 99.7° | 111.1° |
| C23 | C21 | C22 | O7 | 74.1° | 145.4° |
| C21 | C23 | H37 | H38 | 110.8° | 120.5° |
| C21 | C23 | H37 | N25 | 138.4° | 119.8° |
| C21 | C23 | H38 | N25 | 138.3° | 119.8° |
| C21 | C23 | N25 | C89 | 85.3° | 173.6° |
| C21 | C23 | N25 | H125 | 38.5° | 66.4° |
| C21 | C23 | N25 | H126 | 151.0° | 53.2° |
| C23 | C21 | N10 | C19 | 140.4° | 127.9° |
| C23 | C21 | C22 | N11 | 106.2° | 34.9° |
| H36 | C21 | C22 | O7 | 45.9° | 25.8° |
| H36 | C21 | C23 | H37 | 42.8° | 120.8° |
| H36 | C21 | C23 | H38 | 157.5° | 118.9° |
| H36 | C21 | C23 | N25 | 79.9° | 0.8° |
| H36 | C21 | N10 | C19 | 20.3° | 8.3° |
| H36 | C21 | C22 | N11 | 133.8° | 154.4° |
| O7 | C22 | N11 | C24 | 0.0° | 4.4° |
| O7 | C22 | N11 | H39 | 180.0° | 175.2° |
| H37 | C23 | H38 | N25 | 110.8° | 119.9° |
| H37 | C23 | N25 | C89 | 37.4° | 53.7° |
| H37 | C23 | N25 | H125 | 161.1° | 173.7° |
| H37 | C23 | N25 | H126 | 86.4° | 66.8° |
| H38 | C23 | N25 | C89 | 152.1° | 66.3° |
| H38 | C23 | N25 | H125 | 84.2° | 53.7° |
| H38 | C23 | N25 | H126 | 28.3° | 173.3° |
| C24 | N11 | H39 | C22 | 180.0° | 179.6° |
| N11 | C24 | C25 | C26 | 120.3° | 119.9° |
| N11 | C24 | C25 | H40 | 120.1° | 119.8° |
| N11 | C24 | C26 | H40 | 120.6° | 119.9° |
| N11 | C24 | C25 | O8 | 122.4° | 19.4° |
| N11 | C24 | C26 | C27 | 25.9° | 65.0° |
| N11 | C24 | C26 | H41 | 146.0° | 54.9° |
| N11 | C24 | C26 | H42 | 94.2° | 175.0° |
| N11 | C24 | C25 | N12 | 57.5° | 160.7° |
| H39 | N11 | C24 | C25 | 43.1° | 25.8° |
| H39 | N11 | C24 | C26 | 76.8° | 94.1° |
| H39 | N11 | C24 | H40 | 162.9° | 145.7° |
| C25 | C24 | C26 | H40 | 119.6° | 120.1° |
| C24 | C25 | O8 | N12 | 179.9° | 179.9° |
| C25 | C24 | C26 | C27 | 94.0° | 175.1° |
| C25 | C24 | C26 | H41 | 26.2° | 65.0° |
| C25 | C24 | C26 | H42 | 145.9° | 55.1° |
| C24 | C25 | N12 | C33 | 180.0° | 177.1° |
| C24 | C25 | N12 | H48 | 0.0° | 2.8° |
| C25 | C24 | N11 | C22 | 136.9° | 153.7° |
| C26 | C24 | C25 | O8 | 2.0° | 100.6° |
| C24 | C26 | C27 | H41 | 120.1° | 120.0° |
| C24 | C26 | C27 | H42 | 120.1° | 120.0° |
| C24 | C26 | H41 | H42 | 119.7° | 120.1° |
| C24 | C26 | C27 | C28 | 77.1° | 90.0° |
| C24 | C26 | C27 | C29 | 102.9° | 90.3° |
| C26 | C24 | N11 | C22 | 103.1° | 86.3° |
| C26 | C24 | C25 | N12 | 177.8° | 79.4° |
| H40 | C24 | C25 | O8 | 117.5° | 139.1° |
| H40 | C24 | C26 | C27 | 146.5° | 54.9° |
| H40 | C24 | C26 | H41 | 93.4° | 174.9° |
| H40 | C24 | C26 | H42 | 26.4° | 65.0° |
| H40 | C24 | N11 | C22 | 17.1° | 33.9° |
| H40 | C24 | C25 | N12 | 62.6° | 40.9° |
| O8 | C25 | N12 | C33 | 0.1° | 2.9° |
| O8 | C25 | N12 | H48 | 179.9° | 177.2° |
| C27 | C26 | H41 | H42 | 119.8° | 120.0° |
| C26 | C27 | C28 | C29 | 179.9° | 179.8° |
| C26 | C27 | C28 | C30 | 180.0° | 180.0° |
| C26 | C27 | C28 | H43 | 0.0° | 0.1° |
| C26 | C27 | C29 | C31 | 180.0° | 180.0° |
| C26 | C27 | C29 | H44 | 0.0° | 0.0° |
| H41 | C26 | C27 | C28 | 162.8° | 30.0° |
| H41 | C26 | C27 | C29 | 17.2° | 149.7° |
| H42 | C26 | C27 | C28 | 43.0° | 150.0° |
| H42 | C26 | C27 | C29 | 137.1° | 29.7° |
| C27 | C28 | C30 | H43 | 180.0° | 179.9° |
| C28 | C27 | C29 | C31 | 0.0° | 0.2° |
| C28 | C27 | C29 | H44 | 180.0° | 179.7° |
| C27 | C28 | C30 | C32 | 0.1° | 0.0° |
| C27 | C28 | C30 | H45 | 180.0° | 180.0° |
| C29 | C27 | C28 | C30 | 0.1° | 0.2° |
| C29 | C27 | C28 | H43 | 179.9° | 179.7° |
| C27 | C29 | C31 | H44 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 0.0° | 0.0° |
| C27 | C29 | C31 | H46 | 179.9° | 180.0° |
| C28 | C30 | C32 | H45 | 180.0° | 180.0° |
| C28 | C30 | C32 | C31 | 0.0° | 0.2° |
| C28 | C30 | C32 | H47 | 180.0° | 180.0° |
| H43 | C28 | C30 | C32 | 179.9° | 179.9° |
| H43 | C28 | C30 | H45 | 0.1° | 0.1° |
| C29 | C31 | C32 | C30 | 0.0° | 0.2° |
| C29 | C31 | C32 | H46 | 180.0° | 180.0° |
| C29 | C31 | C32 | H47 | 180.0° | 180.0° |
| H44 | C29 | C31 | C32 | 180.0° | 180.0° |
| H44 | C29 | C31 | H46 | 0.0° | 0.0° |
| C30 | C32 | C31 | H47 | 180.0° | 179.8° |
| C30 | C32 | C31 | H46 | 179.9° | 179.7° |
| H45 | C30 | C32 | C31 | 180.0° | 179.8° |
| H45 | C30 | C32 | H47 | 0.0° | 0.0° |
| H46 | C31 | C32 | H47 | 0.1° | 0.1° |
| C33 | N12 | H48 | C25 | 180.0° | 179.9° |
| N12 | C33 | C34 | H49 | 120.0° | 119.3° |
| N12 | C33 | C34 | H50 | 120.0° | 119.3° |
| N12 | C33 | H49 | H50 | 120.0° | 121.1° |
| N12 | C33 | C34 | O9 | 4.6° | 33.7° |
| N12 | C33 | C34 | N13 | 175.4° | 146.0° |
| H48 | N12 | C33 | C34 | 61.4° | 99.4° |
| H48 | N12 | C33 | H49 | 178.6° | 20.0° |
| H48 | N12 | C33 | H50 | 58.6° | 141.2° |
| C34 | C33 | H49 | H50 | 119.9° | 121.4° |
| C33 | C34 | O9 | N13 | 180.0° | 179.8° |
| C33 | C34 | N13 | C35 | 179.9° | 178.2° |
| C33 | C34 | N13 | C39 | 0.1° | 2.6° |
| C34 | C33 | N12 | C25 | 118.7° | 80.5° |
| H49 | C33 | C34 | O9 | 115.4° | 153.0° |
| H49 | C33 | N12 | C25 | 1.4° | 160.1° |
| H49 | C33 | C34 | N13 | 64.6° | 26.7° |
| H50 | C33 | C34 | O9 | 124.6° | 85.6° |
| H50 | C33 | N12 | C25 | 121.3° | 38.9° |
| H50 | C33 | C34 | N13 | 55.3° | 94.7° |
| O9 | C34 | N13 | C35 | 0.0° | 2.0° |
| O9 | C34 | N13 | C39 | 179.9° | 177.1° |
| C35 | N13 | C39 | C34 | 179.9° | 179.2° |
| N13 | C35 | C36 | C37 | 114.2° | 118.9° |
| N13 | C35 | C36 | H51 | 123.2° | 119.9° |
| N13 | C35 | C37 | H51 | 119.1° | 118.8° |
| N13 | C35 | C36 | O10 | 144.7° | 81.0° |
| N13 | C35 | C37 | C38 | 22.4° | 14.1° |
| N13 | C35 | C37 | H52 | 141.9° | 105.2° |
| N13 | C35 | C37 | H53 | 97.1° | 132.9° |
| C35 | N13 | C39 | C38 | 3.8° | 11.2° |
| C35 | N13 | C39 | H56 | 122.9° | 108.7° |
| C35 | N13 | C39 | H57 | 115.4° | 130.9° |
| N13 | C35 | C36 | N14 | 35.2° | 99.0° |
| C39 | N13 | C35 | C36 | 102.1° | 136.4° |
| C39 | N13 | C35 | C37 | 16.7° | 15.9° |
| C39 | N13 | C35 | H51 | 135.1° | 103.3° |
| N13 | C39 | C38 | C37 | 10.8° | 2.1° |
| N13 | C39 | C38 | H56 | 119.2° | 119.8° |
| N13 | C39 | C38 | H57 | 119.2° | 119.7° |
| N13 | C39 | C38 | H54 | 108.8° | 117.2° |
| N13 | C39 | C38 | H55 | 130.3° | 121.5° |
| N13 | C39 | H56 | H57 | 122.5° | 120.6° |
| C36 | C35 | C37 | H51 | 122.6° | 121.3° |
| C35 | C36 | O10 | N14 | 179.9° | 179.9° |
| C36 | C35 | C37 | C38 | 95.9° | 134.0° |
| C36 | C35 | C37 | H52 | 23.6° | 14.7° |
| C36 | C35 | C37 | H53 | 144.6° | 107.2° |
| C35 | C36 | N14 | C40 | 179.9° | 178.8° |
| C35 | C36 | N14 | H58 | 0.1° | 1.0° |
| C36 | C35 | N13 | C34 | 77.8° | 44.3° |
| C37 | C35 | C36 | O10 | 101.1° | 37.9° |
| C35 | C37 | C38 | H52 | 119.5° | 119.4° |
| C35 | C37 | C38 | H53 | 119.5° | 118.8° |
| C35 | C37 | H52 | H53 | 121.4° | 121.9° |
| C35 | C37 | C38 | C39 | 21.0° | 7.2° |
| C35 | C37 | C38 | H54 | 98.6° | 126.6° |
| C35 | C37 | C38 | H55 | 140.5° | 112.1° |
| C37 | C35 | N13 | C34 | 163.4° | 164.8° |
| C37 | C35 | C36 | N14 | 79.0° | 142.2° |
| H51 | C35 | C36 | O10 | 21.5° | 159.1° |
| H51 | C35 | C37 | C38 | 141.5° | 104.8° |
| H51 | C35 | C37 | H52 | 99.0° | 136.0° |
| H51 | C35 | C37 | H53 | 22.0° | 14.1° |
| H51 | C35 | N13 | C34 | 45.0° | 75.9° |
| H51 | C35 | C36 | N14 | 158.4° | 20.9° |
| O10 | C36 | N14 | C40 | 0.0° | 1.2° |
| O10 | C36 | N14 | H58 | 180.0° | 179.1° |
| C38 | C37 | H52 | H53 | 121.5° | 121.7° |
| C37 | C38 | C39 | H54 | 119.6° | 119.3° |
| C37 | C38 | C39 | H55 | 119.5° | 119.4° |
| C37 | C38 | H54 | H55 | 121.3° | 121.5° |
| C37 | C38 | C39 | H56 | 108.4° | 117.7° |
| C37 | C38 | C39 | H57 | 129.9° | 121.8° |
| H52 | C37 | C38 | C39 | 140.5° | 112.2° |
| H52 | C37 | C38 | H54 | 20.9° | 7.2° |
| H52 | C37 | C38 | H55 | 100.0° | 128.5° |
| H53 | C37 | C38 | C39 | 98.5° | 126.0° |
| H53 | C37 | C38 | H54 | 141.9° | 114.5° |
| H53 | C37 | C38 | H55 | 21.0° | 6.7° |
| C39 | C38 | H54 | H55 | 121.3° | 121.3° |
| C38 | C39 | H56 | H57 | 122.4° | 120.7° |
| C38 | C39 | N13 | C34 | 176.3° | 169.5° |
| H54 | C38 | C39 | H56 | 132.1° | 123.0° |
| H54 | C38 | C39 | H57 | 10.4° | 2.5° |
| H55 | C38 | C39 | H56 | 11.1° | 1.7° |
| H55 | C38 | C39 | H57 | 110.5° | 118.8° |
| H56 | C39 | N13 | C34 | 57.2° | 70.5° |
| H57 | C39 | N13 | C34 | 64.5° | 49.9° |
| C40 | N14 | H58 | C36 | 180.0° | 179.7° |
| N14 | C40 | C41 | C42 | 120.0° | 120.1° |
| N14 | C40 | C41 | H59 | 120.3° | 120.0° |
| N14 | C40 | C42 | H59 | 120.3° | 119.0° |
| N14 | C40 | C41 | O11 | 104.8° | 12.9° |
| N14 | C40 | C42 | C43 | 95.4° | 76.7° |
| N14 | C40 | C42 | H60 | 24.6° | 43.3° |
| N14 | C40 | C42 | H61 | 144.6° | 163.2° |
| N14 | C40 | C41 | N15 | 75.0° | 167.5° |
| H58 | N14 | C40 | C41 | 59.8° | 30.1° |
| H58 | N14 | C40 | C42 | 60.3° | 90.5° |
| H58 | N14 | C40 | H59 | 179.7° | 150.3° |
| C41 | C40 | C42 | H59 | 119.8° | 120.1° |
| C40 | C41 | O11 | N15 | 179.7° | 179.6° |
| C41 | C40 | C42 | C43 | 144.7° | 162.4° |
| C41 | C40 | C42 | H60 | 95.3° | 77.5° |
| C41 | C40 | C42 | H61 | 24.7° | 42.4° |
| C40 | C41 | N15 | C49 | 179.7° | 178.6° |
| C40 | C41 | N15 | H67 | 0.3° | 2.7° |
| C41 | C40 | N14 | C36 | 120.2° | 150.2° |
| C42 | C40 | C41 | O11 | 135.2° | 133.0° |
| C40 | C42 | C43 | H60 | 120.0° | 120.0° |
| C40 | C42 | C43 | H61 | 120.0° | 120.0° |
| C40 | C42 | H60 | H61 | 120.1° | 119.9° |
| C40 | C42 | C43 | C44 | 89.2° | 104.6° |
| C40 | C42 | C43 | C45 | 90.7° | 75.6° |
| C42 | C40 | C41 | N15 | 45.0° | 47.4° |
| C42 | C40 | N14 | C36 | 119.6° | 89.2° |
| H59 | C40 | C41 | O11 | 15.5° | 107.1° |
| H59 | C40 | C42 | C43 | 24.9° | 42.3° |
| H59 | C40 | C42 | H60 | 144.9° | 162.4° |
| H59 | C40 | C42 | H61 | 95.1° | 77.7° |
| H59 | C40 | C41 | N15 | 164.8° | 72.5° |
| H59 | C40 | N14 | C36 | 0.3° | 30.0° |
| O11 | C41 | N15 | C49 | 0.0° | 1.8° |
| O11 | C41 | N15 | H67 | 180.0° | 176.9° |
| C43 | C42 | H60 | H61 | 120.1° | 120.0° |
| C42 | C43 | C44 | C45 | 179.9° | 179.7° |
| C42 | C43 | C44 | C46 | 179.9° | 180.0° |
| C42 | C43 | C44 | H62 | 0.1° | 0.0° |
| C42 | C43 | C45 | C47 | 179.9° | 180.0° |
| C42 | C43 | C45 | H63 | 0.0° | 0.0° |
| H60 | C42 | C43 | C44 | 30.7° | 15.4° |
| H60 | C42 | C43 | C45 | 149.3° | 164.3° |
| H61 | C42 | C43 | C44 | 150.8° | 135.4° |
| H61 | C42 | C43 | C45 | 29.3° | 44.4° |
| C43 | C44 | C46 | H62 | 180.0° | 179.9° |
| C44 | C43 | C45 | C47 | 0.0° | 0.2° |
| C44 | C43 | C45 | H63 | 180.0° | 179.7° |
| C43 | C44 | C46 | C48 | 0.0° | 0.0° |
| C43 | C44 | C46 | H64 | 180.0° | 180.0° |
| C45 | C43 | C44 | C46 | 0.0° | 0.2° |
| C45 | C43 | C44 | H62 | 180.0° | 179.7° |
| C43 | C45 | C47 | H63 | 180.0° | 180.0° |
| C43 | C45 | C47 | C48 | 0.0° | 0.0° |
| C43 | C45 | C47 | H65 | 180.0° | 180.0° |
| C44 | C46 | C48 | H64 | 180.0° | 179.9° |
| C44 | C46 | C48 | C47 | 0.0° | 0.3° |
| C44 | C46 | C48 | H66 | 180.0° | 179.9° |
| H62 | C44 | C46 | C48 | 180.0° | 180.0° |
| H62 | C44 | C46 | H64 | 0.0° | 0.1° |
| C45 | C47 | C48 | C46 | 0.0° | 0.3° |
| C45 | C47 | C48 | H65 | 180.0° | 180.0° |
| C45 | C47 | C48 | H66 | 180.0° | 180.0° |
| H63 | C45 | C47 | C48 | 180.0° | 180.0° |
| H63 | C45 | C47 | H65 | 0.0° | 0.0° |
| C46 | C48 | C47 | H66 | 180.0° | 179.8° |
| C46 | C48 | C47 | H65 | 180.0° | 179.8° |
| H64 | C46 | C48 | C47 | 180.0° | 179.8° |
| H64 | C46 | C48 | H66 | 0.0° | 0.0° |
| H65 | C47 | C48 | H66 | 0.0° | 0.0° |
| N15 | C49 | C50 | C51 | 120.5° | 122.2° |
| N15 | C49 | C50 | H68 | 120.3° | 119.5° |
| N15 | C49 | C51 | H68 | 119.8° | 120.5° |
| N15 | C49 | C50 | O12 | 147.3° | 152.7° |
| N15 | C49 | C51 | C52 | 53.5° | 114.9° |
| C49 | N15 | H67 | C41 | 180.0° | 178.7° |
| N15 | C49 | C51 | H69 | 175.5° | 125.8° |
| N15 | C49 | C51 | S2 | 66.5° | 5.9° |
| N15 | C49 | C50 | N16 | 32.6° | 27.8° |
| C50 | C49 | C51 | H68 | 119.2° | 118.0° |
| C49 | C50 | O12 | N16 | 180.0° | 179.5° |
| C50 | C49 | C51 | C52 | 174.5° | 123.6° |
| C50 | C49 | N15 | H67 | 35.4° | 17.4° |
| C50 | C49 | C51 | H69 | 63.5° | 4.3° |
| C49 | C50 | N16 | C53 | 179.9° | 179.8° |
| C49 | C50 | N16 | H73 | 0.1° | 0.7° |
| C50 | C49 | C51 | S2 | 54.5° | 115.5° |
| C50 | C49 | N15 | C41 | 144.6° | 161.4° |
| C51 | C49 | C50 | O12 | 92.2° | 85.1° |
| C49 | C51 | C52 | H69 | 122.0° | 119.3° |
| C49 | C51 | C52 | S2 | 120.1° | 121.3° |
| C51 | C49 | N15 | H67 | 85.1° | 103.3° |
| C49 | C51 | H69 | S2 | 119.4° | 120.7° |
| C49 | C51 | C52 | H70 | 180.0° | 61.3° |
| C49 | C51 | C52 | H71 | 60.0° | 58.7° |
| C49 | C51 | C52 | H72 | 60.0° | 178.7° |
| C51 | C49 | N15 | C41 | 94.8° | 78.0° |
| C51 | C49 | C50 | N16 | 87.8° | 94.4° |
| O12 | C50 | C49 | H68 | 27.0° | 33.2° |
| O12 | C50 | N16 | C53 | 0.1° | 0.3° |
| O12 | C50 | N16 | H73 | 179.9° | 178.8° |
| C52 | C51 | C49 | H68 | 66.3° | 5.6° |
| C52 | C51 | H69 | S2 | 119.3° | 119.9° |
| C51 | C52 | H70 | H71 | 120.0° | 120.0° |
| C51 | C52 | H70 | H72 | 120.0° | 120.0° |
| C51 | C52 | H71 | H72 | 120.0° | 119.9° |
| H67 | N15 | C49 | H68 | 155.4° | 136.4° |
| H68 | C49 | C51 | H69 | 55.7° | 113.7° |
| H68 | C49 | C51 | S2 | 173.7° | 126.4° |
| H68 | C49 | N15 | C41 | 24.6° | 42.3° |
| H68 | C49 | C50 | N16 | 152.9° | 147.3° |
| H69 | C51 | C52 | H70 | 58.0° | 179.4° |
| H69 | C51 | C52 | H71 | 178.0° | 60.5° |
| H69 | C51 | C52 | H72 | 62.0° | 59.4° |
| H70 | C52 | H71 | H72 | 120.0° | 120.1° |
| H70 | C52 | C51 | S2 | 59.9° | 60.0° |
| H71 | C52 | C51 | S2 | 60.1° | 180.0° |
| H72 | C52 | C51 | S2 | 179.9° | 60.1° |
| C53 | N16 | H73 | C50 | 180.0° | 179.1° |
| N16 | C53 | C54 | C55 | 120.5° | 118.5° |
| N16 | C53 | C54 | H74 | 120.3° | 119.4° |
| N16 | C53 | C55 | H74 | 120.0° | 118.7° |
| N16 | C53 | C54 | O13 | 179.4° | 30.0° |
| N16 | C53 | C55 | C56 | 73.9° | 57.9° |
| N16 | C53 | C55 | H75 | 166.1° | 177.9° |
| N16 | C53 | C55 | H76 | 46.2° | 62.0° |
| N16 | C53 | C54 | N17 | 0.6° | 150.4° |
| H73 | N16 | C53 | C54 | 44.3° | 4.2° |
| H73 | N16 | C53 | C55 | 76.1° | 114.5° |
| H73 | N16 | C53 | H74 | 164.2° | 125.6° |
| C54 | C53 | C55 | H74 | 119.3° | 123.0° |
| C53 | C54 | O13 | N17 | 180.0° | 179.6° |
| C54 | C53 | C55 | C56 | 46.9° | 60.4° |
| C54 | C53 | C55 | H75 | 73.1° | 59.6° |
| C54 | C53 | C55 | H76 | 166.9° | 179.7° |
| C53 | C54 | N17 | C62 | 180.0° | 4.0° |
| C53 | C54 | N17 | H82 | 0.0° | 176.4° |
| C54 | C53 | N16 | C50 | 135.7° | 174.9° |
| C55 | C53 | C54 | O13 | 58.9° | 88.5° |
| C53 | C55 | C56 | H75 | 120.0° | 120.0° |
| C53 | C55 | C56 | H76 | 120.0° | 119.9° |
| C53 | C55 | H75 | H76 | 119.9° | 120.0° |
| C53 | C55 | C56 | C57 | 85.0° | 90.0° |
| C53 | C55 | C56 | C58 | 95.1° | 90.3° |
| C55 | C53 | N16 | C50 | 103.9° | 66.4° |
| C55 | C53 | C54 | N17 | 121.1° | 91.1° |
| H74 | C53 | C54 | O13 | 60.3° | 149.4° |
| H74 | C53 | C55 | C56 | 166.2° | 176.6° |
| H74 | C53 | C55 | H75 | 46.1° | 63.3° |
| H74 | C53 | C55 | H76 | 73.8° | 56.7° |
| H74 | C53 | N16 | C50 | 15.8° | 53.5° |
| H74 | C53 | C54 | N17 | 119.6° | 31.0° |
| O13 | C54 | N17 | C62 | 0.0° | 176.4° |
| O13 | C54 | N17 | H82 | 179.9° | 3.2° |
| C56 | C55 | H75 | H76 | 119.9° | 120.0° |
| C55 | C56 | C57 | C58 | 179.9° | 179.7° |
| C55 | C56 | C57 | C59 | 179.9° | 180.0° |
| C55 | C56 | C57 | H77 | 0.1° | 0.0° |
| C55 | C56 | C58 | C60 | 179.9° | 180.0° |
| C55 | C56 | C58 | H78 | 0.2° | 0.0° |
| H75 | C55 | C56 | C57 | 154.9° | 30.1° |
| H75 | C55 | C56 | C58 | 24.9° | 149.7° |
| H76 | C55 | C56 | C57 | 35.0° | 150.1° |
| H76 | C55 | C56 | C58 | 144.8° | 29.7° |
| C56 | C57 | C59 | H77 | 180.0° | 180.0° |
| C57 | C56 | C58 | C60 | 0.0° | 0.3° |
| C57 | C56 | C58 | H78 | 180.0° | 179.7° |
| C56 | C57 | C59 | C61 | 0.1° | 0.0° |
| C56 | C57 | C59 | H79 | 179.9° | 180.0° |
| C58 | C56 | C57 | C59 | 0.1° | 0.3° |
| C58 | C56 | C57 | H77 | 179.9° | 179.7° |
| C56 | C58 | C60 | H78 | 180.0° | 180.0° |
| C56 | C58 | C60 | C61 | 0.0° | 0.1° |
| C56 | C58 | C60 | H80 | 180.0° | 180.0° |
| C57 | C59 | C61 | H79 | 180.0° | 180.0° |
| C57 | C59 | C61 | C60 | 0.1° | 0.2° |
| C57 | C59 | C61 | H81 | 179.9° | 180.0° |
| H77 | C57 | C59 | C61 | 179.9° | 180.0° |
| H77 | C57 | C59 | H79 | 0.1° | 0.0° |
| C58 | C60 | C61 | C59 | 0.0° | 0.2° |
| C58 | C60 | C61 | H80 | 180.0° | 179.9° |
| C58 | C60 | C61 | H81 | 179.9° | 180.0° |
| H78 | C58 | C60 | C61 | 180.0° | 180.0° |
| H78 | C58 | C60 | H80 | 0.0° | 0.1° |
| C59 | C61 | C60 | H81 | 180.0° | 179.8° |
| C59 | C61 | C60 | H80 | 180.0° | 179.7° |
| H79 | C59 | C61 | C60 | 179.9° | 179.8° |
| H79 | C59 | C61 | H81 | 0.1° | 0.0° |
| H80 | C60 | C61 | H81 | 0.1° | 0.1° |
| C62 | N17 | H82 | C54 | 180.0° | 179.6° |
| N17 | C62 | C63 | C64 | 119.9° | 117.6° |
| N17 | C62 | C63 | H83 | 120.5° | 122.6° |
| N17 | C62 | C64 | H83 | 120.4° | 123.7° |
| N17 | C62 | C63 | O14 | 129.7° | 18.7° |
| N17 | C62 | C64 | C65 | 168.9° | 65.5° |
| N17 | C62 | C64 | C66 | 48.9° | 54.5° |
| N17 | C62 | C64 | H84 | 71.1° | 174.5° |
| N17 | C62 | C63 | N18 | 50.5° | 161.5° |
| H82 | N17 | C62 | C63 | 94.9° | 71.8° |
| H82 | N17 | C62 | C64 | 24.9° | 46.1° |
| H82 | N17 | C62 | H83 | 145.0° | 167.3° |
| C63 | C62 | C64 | H83 | 119.6° | 120.6° |
| C62 | C63 | O14 | N18 | 179.8° | 179.8° |
| C63 | C62 | C64 | C65 | 71.1° | 178.7° |
| C63 | C62 | C64 | C66 | 168.9° | 61.3° |
| C63 | C62 | C64 | H84 | 48.9° | 58.7° |
| C62 | C63 | N18 | C67 | 179.8° | 180.0° |
| C62 | C63 | N18 | H91 | 0.2° | 0.5° |
| C63 | C62 | N17 | C54 | 85.1° | 107.9° |
| C64 | C62 | C63 | O14 | 110.4° | 136.4° |
| C62 | C64 | C65 | C66 | 120.1° | 120.0° |
| C62 | C64 | C65 | H84 | 120.0° | 120.0° |
| C62 | C64 | C66 | H84 | 120.0° | 120.0° |
| C62 | C64 | C65 | H85 | 180.0° | 64.1° |
| C62 | C64 | C65 | H86 | 60.0° | 175.8° |
| C62 | C64 | C65 | H87 | 60.0° | 55.9° |
| C62 | C64 | C66 | H88 | 180.0° | 60.0° |
| C62 | C64 | C66 | H89 | 60.0° | 180.0° |
| C62 | C64 | C66 | H90 | 60.0° | 60.0° |
| C64 | C62 | N17 | C54 | 155.1° | 134.2° |
| C64 | C62 | C63 | N18 | 69.4° | 43.8° |
| H83 | C62 | C63 | O14 | 9.2° | 103.9° |
| H83 | C62 | C64 | C65 | 48.5° | 58.2° |
| H83 | C62 | C64 | C66 | 71.5° | 178.1° |
| H83 | C62 | C64 | H84 | 168.5° | 61.9° |
| H83 | C62 | N17 | C54 | 35.0° | 13.0° |
| H83 | C62 | C63 | N18 | 171.0° | 75.9° |
| O14 | C63 | N18 | C67 | 0.0° | 0.1° |
| O14 | C63 | N18 | H91 | 180.0° | 179.3° |
| C65 | C64 | C66 | H84 | 119.9° | 120.1° |
| C64 | C65 | H85 | H86 | 120.0° | 120.0° |
| C64 | C65 | H85 | H87 | 120.0° | 120.0° |
| C64 | C65 | H86 | H87 | 120.0° | 120.0° |
| C65 | C64 | C66 | H88 | 60.0° | 180.0° |
| C65 | C64 | C66 | H89 | 60.1° | 60.0° |
| C65 | C64 | C66 | H90 | 179.9° | 60.0° |
| C66 | C64 | C65 | H85 | 59.9° | 55.8° |
| C66 | C64 | C65 | H86 | 179.9° | 64.2° |
| C66 | C64 | C65 | H87 | 60.1° | 175.8° |
| C64 | C66 | H88 | H89 | 120.0° | 120.0° |
| C64 | C66 | H88 | H90 | 120.0° | 120.0° |
| C64 | C66 | H89 | H90 | 120.0° | 120.0° |
| H84 | C64 | C65 | H85 | 60.0° | 175.8° |
| H84 | C64 | C65 | H86 | 60.0° | 55.8° |
| H84 | C64 | C65 | H87 | 180.0° | 64.2° |
| H84 | C64 | C66 | H88 | 60.0° | 60.0° |
| H84 | C64 | C66 | H89 | 180.0° | 60.1° |
| H84 | C64 | C66 | H90 | 60.0° | 179.9° |
| H85 | C65 | H86 | H87 | 120.0° | 120.0° |
| H88 | C66 | H89 | H90 | 119.9° | 120.0° |
| C67 | N18 | H91 | C63 | 180.0° | 179.4° |
| N18 | C67 | C68 | C69 | 120.3° | 120.4° |
| N18 | C67 | C68 | H92 | 120.0° | 120.4° |
| N18 | C67 | C69 | H92 | 120.4° | 119.9° |
| N18 | C67 | C68 | O15 | 100.5° | 93.1° |
| N18 | C67 | C69 | S3 | 82.8° | 77.8° |
| N18 | C67 | C69 | H93 | 36.8° | 42.5° |
| N18 | C67 | C69 | H94 | 157.6° | 162.7° |
| N18 | C67 | C68 | N19 | 79.3° | 87.3° |
| H91 | N18 | C67 | C68 | 101.5° | 51.3° |
| H91 | N18 | C67 | C69 | 138.3° | 69.0° |
| H91 | N18 | C67 | H92 | 18.2° | 171.3° |
| C68 | C67 | C69 | H92 | 119.7° | 119.1° |
| C67 | C68 | O15 | N19 | 179.7° | 179.5° |
| C68 | C67 | C69 | S3 | 157.3° | 161.2° |
| C68 | C67 | C69 | H93 | 83.2° | 78.5° |
| C68 | C67 | C69 | H94 | 37.7° | 41.7° |
| C67 | C68 | N19 | C71 | 179.7° | 176.4° |
| C67 | C68 | N19 | H98 | 0.3° | 3.1° |
| C68 | C67 | N18 | C63 | 78.5° | 129.3° |
| C69 | C67 | C68 | O15 | 19.8° | 27.3° |
| C67 | C69 | S3 | H93 | 119.6° | 120.2° |
| C67 | C69 | S3 | H94 | 119.6° | 119.4° |
| C67 | C69 | H93 | H94 | 121.3° | 119.8° |
| C67 | C69 | S3 | C16 | 18.6° | 92.1° |
| C69 | C67 | C68 | N19 | 160.4° | 152.3° |
| C69 | C67 | N18 | C63 | 41.7° | 110.4° |
| H92 | C67 | C68 | O15 | 139.5° | 146.5° |
| H92 | C67 | C69 | S3 | 37.6° | 42.1° |
| H92 | C67 | C69 | H93 | 157.2° | 162.4° |
| H92 | C67 | C69 | H94 | 82.0° | 77.4° |
| H92 | C67 | C68 | N19 | 40.7° | 33.1° |
| H92 | C67 | N18 | C63 | 161.8° | 9.3° |
| O15 | C68 | N19 | C71 | 0.1° | 3.1° |
| O15 | C68 | N19 | H98 | 180.0° | 177.4° |
| S3 | C69 | H93 | H94 | 121.2° | 120.2° |
| H93 | C69 | S3 | C16 | 101.0° | 147.7° |
| H94 | C69 | S3 | C16 | 138.2° | 27.3° |
| O16 | C70 | C71 | N20 | 179.9° | 179.3° |
| O16 | C70 | C71 | N19 | 164.8° | 60.7° |
| O16 | C70 | C71 | C72 | 44.7° | 59.4° |
| O16 | C70 | C71 | H95 | 74.5° | 179.2° |
| O16 | C70 | N20 | C74 | 0.0° | 8.4° |
| O16 | C70 | N20 | H100 | 180.0° | 171.4° |
| C70 | C71 | N19 | C72 | 120.2° | 119.6° |
| C70 | C71 | N19 | H95 | 120.3° | 119.9° |
| C70 | C71 | N19 | H98 | 74.5° | 9.2° |
| C70 | C71 | C72 | H95 | 119.5° | 119.8° |
| C70 | C71 | C72 | H96 | 137.8° | 175.0° |
| C70 | C71 | C72 | C73 | 108.7° | 65.0° |
| C70 | C71 | C72 | O17 | 29.6° | 55.0° |
| C71 | C70 | N20 | C74 | 179.9° | 171.0° |
| C71 | C70 | N20 | H100 | 0.1° | 9.3° |
| C70 | C71 | N19 | C68 | 105.6° | 170.3° |
| C71 | N19 | H98 | C68 | 180.0° | 179.5° |
| N19 | C71 | C72 | H95 | 120.2° | 120.6° |
| N19 | C71 | C72 | H96 | 17.6° | 55.3° |
| N19 | C71 | C72 | C73 | 131.0° | 175.4° |
| N19 | C71 | C72 | O17 | 90.7° | 64.7° |
| N19 | C71 | C70 | N20 | 15.2° | 120.0° |
| H98 | N19 | C71 | C72 | 45.7° | 110.4° |
| H98 | N19 | C71 | H95 | 165.2° | 129.1° |
| C71 | C72 | H96 | C73 | 124.6° | 120.0° |
| C71 | C72 | H96 | O17 | 109.9° | 120.0° |
| C71 | C72 | C73 | O17 | 132.6° | 120.0° |
| C71 | C72 | C73 | O19 | 115.1° | 114.9° |
| C71 | C72 | C73 | O18 | 64.8° | 65.0° |
| C71 | C72 | O17 | H97 | 41.6° | 60.0° |
| C72 | C71 | N19 | C68 | 134.3° | 70.1° |
| C72 | C71 | C70 | N20 | 135.4° | 120.0° |
| H95 | C71 | C72 | H96 | 102.7° | 65.2° |
| H95 | C71 | C72 | C73 | 10.8° | 54.8° |
| H95 | C71 | C72 | O17 | 149.1° | 174.8° |
| H95 | C71 | N19 | C68 | 14.8° | 50.4° |
| H95 | C71 | C70 | N20 | 105.5° | 0.1° |
| H96 | C72 | C73 | O17 | 114.4° | 120.0° |
| H96 | C72 | C73 | O19 | 131.9° | 125.0° |
| H96 | C72 | C73 | O18 | 48.2° | 55.1° |
| H96 | C72 | O17 | H97 | 149.2° | 180.0° |
| C72 | C73 | O19 | O18 | 179.9° | 179.9° |
| C72 | C73 | O18 | H99 | 179.9° | 180.0° |
| C73 | C72 | O17 | H97 | 96.5° | 60.0° |
| O17 | C72 | C73 | O19 | 17.5° | 5.0° |
| O17 | C72 | C73 | O18 | 162.6° | 175.0° |
| O19 | C73 | O18 | H99 | 0.0° | 0.1° |
| C74 | N20 | H100 | C70 | 180.0° | 179.8° |
| N20 | C74 | C75 | H101 | 120.0° | 120.3° |
| N20 | C74 | C75 | H102 | 120.1° | 120.1° |
| N20 | C74 | H101 | H102 | 119.9° | 119.8° |
| N20 | C74 | C75 | O20 | 6.0° | 53.9° |
| N20 | C74 | C75 | N21 | 174.0° | 125.9° |
| H100 | N20 | C74 | C75 | 0.2° | 28.6° |
| H100 | N20 | C74 | H101 | 119.8° | 91.7° |
| H100 | N20 | C74 | H102 | 120.3° | 148.5° |
| C75 | C74 | H101 | H102 | 119.9° | 119.2° |
| C74 | C75 | O20 | N21 | 179.9° | 179.7° |
| C74 | C75 | N21 | C76 | 180.0° | 171.3° |
| C74 | C75 | N21 | H103 | 0.0° | 8.8° |
| C75 | C74 | N20 | C70 | 179.8° | 151.1° |
| H101 | C74 | C75 | O20 | 126.0° | 66.4° |
| H101 | C74 | N20 | C70 | 60.2° | 88.6° |
| H101 | C74 | C75 | N21 | 53.9° | 113.8° |
| H102 | C74 | C75 | O20 | 114.1° | 174.0° |
| H102 | C74 | N20 | C70 | 59.8° | 31.3° |
| H102 | C74 | C75 | N21 | 66.0° | 5.7° |
| O20 | C75 | N21 | C76 | 0.1° | 9.0° |
| O20 | C75 | N21 | H103 | 179.9° | 170.9° |
| C76 | N21 | H103 | C75 | 180.0° | 179.9° |
| N21 | C76 | C77 | C78 | 119.9° | 119.7° |
| N21 | C76 | C77 | H104 | 120.4° | 120.8° |
| N21 | C76 | C78 | H104 | 120.4° | 119.7° |
| N21 | C76 | C77 | O21 | 6.9° | 5.6° |
| N21 | C76 | C78 | C79 | 59.4° | 65.0° |
| N21 | C76 | C78 | H105 | 179.4° | 55.0° |
| N21 | C76 | C78 | H106 | 60.7° | 175.0° |
| N21 | C76 | C77 | N23 | 173.2° | 174.7° |
| H103 | N21 | C76 | C77 | 44.6° | 34.7° |
| H103 | N21 | C76 | C78 | 75.4° | 85.2° |
| H103 | N21 | C76 | H104 | 164.6° | 155.3° |
| C77 | C76 | C78 | H104 | 119.7° | 119.7° |
| C76 | C77 | O21 | N23 | 179.9° | 179.7° |
| C77 | C76 | C78 | C79 | 60.6° | 174.5° |
| C77 | C76 | C78 | H105 | 59.4° | 65.5° |
| C77 | C76 | C78 | H106 | 179.4° | 54.4° |
| C76 | C77 | N23 | C80 | 179.9° | 173.5° |
| C76 | C77 | N23 | H109 | 0.1° | 6.9° |
| C77 | C76 | N21 | C75 | 135.5° | 145.2° |
| C78 | C76 | C77 | O21 | 113.0° | 125.3° |
| C76 | C78 | C79 | H105 | 120.0° | 120.0° |
| C76 | C78 | C79 | H106 | 120.0° | 120.0° |
| C76 | C78 | H105 | H106 | 119.9° | 120.0° |
| C76 | C78 | C79 | O22 | 17.6° | 0.0° |
| C76 | C78 | C79 | N22 | 162.4° | 180.0° |
| C78 | C76 | C77 | N23 | 66.9° | 55.0° |
| C78 | C76 | N21 | C75 | 104.6° | 94.9° |
| H104 | C76 | C77 | O21 | 127.3° | 115.2° |
| H104 | C76 | C78 | C79 | 179.7° | 54.7° |
| H104 | C76 | C78 | H105 | 60.2° | 174.8° |
| H104 | C76 | C78 | H106 | 59.7° | 65.3° |
| H104 | C76 | C77 | N23 | 52.8° | 64.5° |
| H104 | C76 | N21 | C75 | 15.4° | 24.6° |
| O21 | C77 | N23 | C80 | 0.0° | 6.8° |
| O21 | C77 | N23 | H109 | 180.0° | 172.8° |
| C79 | C78 | H105 | H106 | 119.9° | 120.1° |
| C78 | C79 | O22 | N22 | 180.0° | 180.0° |
| C78 | C79 | N22 | H107 | 180.0° | 0.0° |
| C78 | C79 | N22 | H108 | 0.0° | 180.0° |
| H105 | C78 | C79 | O22 | 137.6° | 120.0° |
| H105 | C78 | C79 | N22 | 42.4° | 60.0° |
| H106 | C78 | C79 | O22 | 102.5° | 120.0° |
| H106 | C78 | C79 | N22 | 77.5° | 60.0° |
| O22 | C79 | N22 | H107 | 0.0° | 180.0° |
| O22 | C79 | N22 | H108 | 180.0° | 0.0° |
| C79 | N22 | H107 | H108 | 180.0° | 180.0° |
| N23 | C80 | C81 | C82 | 120.0° | 123.5° |
| N23 | C80 | C81 | H110 | 120.3° | 118.2° |
| N23 | C80 | C82 | H110 | 120.3° | 117.0° |
| N23 | C80 | C81 | O23 | 163.5° | 47.5° |
| N23 | C80 | C82 | C83 | 52.2° | 140.8° |
| C80 | N23 | H109 | C77 | 180.0° | 179.6° |
| N23 | C80 | C82 | H111 | 174.3° | 99.1° |
| N23 | C80 | C82 | S1 | 67.7° | 21.1° |
| N23 | C80 | C81 | N24 | 16.5° | 132.9° |
| C81 | C80 | C82 | H110 | 119.7° | 118.7° |
| C80 | C81 | O23 | N24 | 179.9° | 179.6° |
| C81 | C80 | C82 | C83 | 172.2° | 94.8° |
| C81 | C80 | N23 | H109 | 61.8° | 144.5° |
| C81 | C80 | C82 | H111 | 65.6° | 25.3° |
| C80 | C81 | N24 | C84 | 179.9° | 175.3° |
| C80 | C81 | N24 | H115 | 0.1° | 4.5° |
| C81 | C80 | C82 | S1 | 52.3° | 145.5° |
| C81 | C80 | N23 | C77 | 118.2° | 35.9° |
| C82 | C80 | C81 | O23 | 76.4° | 171.1° |
| C80 | C82 | C83 | H111 | 122.1° | 120.5° |
| C80 | C82 | C83 | S1 | 119.9° | 119.1° |
| C82 | C80 | N23 | H109 | 58.2° | 90.8° |
| C80 | C82 | H111 | S1 | 119.3° | 120.0° |
| C80 | C82 | C83 | H112 | 180.0° | 59.1° |
| C80 | C82 | C83 | H113 | 60.0° | 60.9° |
| C80 | C82 | C83 | H114 | 60.0° | 179.1° |
| C82 | C80 | N23 | C77 | 121.8° | 88.8° |
| C82 | C80 | C81 | N24 | 103.5° | 9.4° |
| O23 | C81 | C80 | H110 | 43.2° | 70.7° |
| O23 | C81 | N24 | C84 | 0.0° | 4.3° |
| O23 | C81 | N24 | H115 | 180.0° | 175.9° |
| C83 | C82 | C80 | H110 | 68.1° | 23.9° |
| C83 | C82 | H111 | S1 | 119.2° | 120.7° |
| C82 | C83 | H112 | H113 | 120.0° | 120.0° |
| C82 | C83 | H112 | H114 | 120.0° | 120.0° |
| C82 | C83 | H113 | H114 | 120.0° | 120.0° |
| H109 | N23 | C80 | H110 | 178.2° | 26.0° |
| H110 | C80 | C82 | H111 | 54.0° | 143.9° |
| H110 | C80 | C82 | S1 | 172.0° | 95.8° |
| H110 | C80 | N23 | C77 | 1.8° | 154.4° |
| H110 | C80 | C81 | N24 | 136.8° | 108.9° |
| H111 | C82 | C83 | H112 | 57.9° | 179.6° |
| H111 | C82 | C83 | H113 | 177.9° | 59.6° |
| H111 | C82 | C83 | H114 | 62.1° | 60.4° |
| H112 | C83 | H113 | H114 | 119.9° | 120.0° |
| H112 | C83 | C82 | S1 | 60.1° | 60.0° |
| H113 | C83 | C82 | S1 | 59.9° | 180.0° |
| H114 | C83 | C82 | S1 | 179.9° | 60.0° |
| C84 | N24 | H115 | C81 | 180.0° | 179.8° |
| N24 | C84 | C85 | C86 | 120.1° | 121.4° |
| N24 | C84 | C85 | H116 | 120.3° | 119.5° |
| N24 | C84 | C86 | H116 | 120.4° | 119.9° |
| N24 | C84 | C85 | O24 | 76.1° | 20.0° |
| N24 | C84 | C85 | O25 | 103.9° | 160.0° |
| N24 | C84 | C86 | C87 | 119.4° | 63.8° |
| N24 | C84 | C86 | H117 | 0.6° | 175.9° |
| N24 | C84 | C86 | H118 | 120.6° | 57.1° |
| H115 | N24 | C84 | C85 | 25.5° | 83.4° |
| H115 | N24 | C84 | C86 | 94.5° | 37.8° |
| H115 | N24 | C84 | H116 | 145.4° | 157.4° |
| C85 | C84 | C86 | H116 | 119.7° | 119.0° |
| C84 | C85 | O24 | O25 | 179.9° | 179.9° |
| C85 | C84 | C86 | C87 | 120.6° | 57.3° |
| C85 | C84 | C86 | H117 | 119.4° | 63.0° |
| C85 | C84 | C86 | H118 | 0.6° | 178.2° |
| C84 | C85 | O25 | H127 | 179.9° | 179.9° |
| C85 | C84 | N24 | C81 | 154.5° | 96.4° |
| C86 | C84 | C85 | O24 | 163.8° | 101.5° |
| C86 | C84 | C85 | O25 | 16.1° | 78.6° |
| C84 | C86 | C87 | H117 | 120.0° | 120.3° |
| C84 | C86 | C87 | H118 | 120.0° | 120.8° |
| C84 | C86 | H117 | H118 | 120.0° | 119.2° |
| C84 | C86 | C87 | C88 | 135.4° | 142.3° |
| C84 | C86 | C87 | H119 | 104.6° | 22.7° |
| C84 | C86 | C87 | H120 | 15.4° | 98.0° |
| C86 | C84 | N24 | C81 | 85.5° | 142.4° |
| H116 | C84 | C85 | O24 | 44.1° | 139.4° |
| H116 | C84 | C85 | O25 | 135.8° | 40.5° |
| H116 | C84 | C86 | C87 | 1.0° | 176.3° |
| H116 | C84 | C86 | H117 | 121.0° | 56.1° |
| H116 | C84 | C86 | H118 | 119.0° | 62.7° |
| H116 | C84 | N24 | C81 | 34.6° | 22.7° |
| O24 | C85 | O25 | H127 | 0.0° | 0.0° |
| C87 | C86 | H117 | H118 | 120.0° | 119.5° |
| C86 | C87 | C88 | H119 | 120.0° | 120.3° |
| C86 | C87 | C88 | H120 | 120.0° | 120.0° |
| C86 | C87 | H119 | H120 | 120.0° | 120.7° |
| C86 | C87 | C88 | C89 | 77.6° | 107.7° |
| C86 | C87 | C88 | H121 | 162.4° | 12.7° |
| C86 | C87 | C88 | H122 | 42.4° | 132.3° |
| H117 | C86 | C87 | C88 | 15.4° | 97.4° |
| H117 | C86 | C87 | H119 | 135.4° | 143.0° |
| H117 | C86 | C87 | H120 | 104.6° | 22.4° |
| H118 | C86 | C87 | C88 | 104.6° | 21.6° |
| H118 | C86 | C87 | H119 | 15.4° | 98.1° |
| H118 | C86 | C87 | H120 | 135.4° | 141.3° |
| C88 | C87 | H119 | H120 | 120.0° | 119.4° |
| C87 | C88 | C89 | H121 | 120.0° | 120.7° |
| C87 | C88 | C89 | H122 | 120.0° | 120.1° |
| C87 | C88 | H121 | H122 | 120.0° | 119.4° |
| C87 | C88 | C89 | N25 | 101.8° | 147.4° |
| C87 | C88 | C89 | H123 | 18.2° | 27.7° |
| C87 | C88 | C89 | H124 | 138.2° | 92.7° |
| H119 | C87 | C88 | C89 | 42.4° | 131.9° |
| H119 | C87 | C88 | H121 | 77.6° | 107.6° |
| H119 | C87 | C88 | H122 | 162.4° | 12.0° |
| H120 | C87 | C88 | C89 | 162.3° | 12.3° |
| H120 | C87 | C88 | H121 | 42.3° | 132.7° |
| H120 | C87 | C88 | H122 | 77.7° | 107.7° |
| C89 | C88 | H121 | H122 | 120.0° | 118.9° |
| C88 | C89 | N25 | H123 | 120.0° | 120.0° |
| C88 | C89 | N25 | H124 | 120.0° | 120.1° |
| C88 | C89 | H123 | H124 | 120.0° | 120.3° |
| C88 | C89 | N25 | H125 | 131.7° | 87.4° |
| C88 | C89 | N25 | H126 | 19.2° | 32.4° |
| C88 | C89 | N25 | C23 | 104.5° | 152.7° |
| H121 | C88 | C89 | N25 | 138.2° | 91.9° |
| H121 | C88 | C89 | H123 | 101.8° | 148.5° |
| H121 | C88 | C89 | H124 | 18.2° | 28.0° |
| H122 | C88 | C89 | N25 | 18.2° | 27.3° |
| H122 | C88 | C89 | H123 | 138.2° | 92.4° |
| H122 | C88 | C89 | H124 | 101.8° | 147.2° |
| N25 | C89 | H123 | H124 | 120.0° | 119.5° |
| C89 | N25 | H125 | H126 | 105.8° | 120.0° |
| C89 | N25 | H125 | C23 | 148.4° | 120.4° |
| C89 | N25 | H126 | C23 | 148.4° | 120.6° |
| H123 | C89 | N25 | H125 | 108.3° | 32.7° |
| H123 | C89 | N25 | H126 | 139.2° | 152.4° |
| H123 | C89 | N25 | C23 | 15.5° | 87.3° |
| H124 | C89 | N25 | H125 | 11.7° | 152.5° |
| H124 | C89 | N25 | H126 | 100.8° | 87.7° |
| H124 | C89 | N25 | C23 | 135.5° | 32.6° |
| H125 | N25 | H126 | C23 | 105.8° | 119.6° |
