PRD_001077
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | SE1 | sing | 1.96Å | 1.90Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| SE1 | C7 | sing | 1.96Å | 1.83Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.50Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.46Å | 1.46Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | N4 | sing | 1.47Å | 1.48Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 1.01Å | 1.00Å | |
| N4 | H35 | sing | 1.01Å | 1.00Å | |
| N4 | H36 | sing | 1.01Å | 1.00Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| N6 | H48 | sing | 0.97Å | 1.00Å | |
| O6 | C26 | doub | 1.21Å | 1.22Å | |
| C27 | N6 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.52Å | 1.54Å | |
| C28 | H49 | sing | 1.10Å | 1.10Å | |
| C28 | H50 | sing | 1.10Å | 1.10Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.51Å | 1.51Å | |
| C30 | H53 | sing | 1.08Å | 1.08Å | |
| C31 | C28 | sing | 1.52Å | 1.54Å | |
| C31 | H54 | sing | 1.08Å | 1.10Å | |
| C31 | H55 | sing | 1.11Å | 1.10Å | |
| C32 | C27 | sing | 1.53Å | 1.53Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| N7 | C33 | sing | 1.48Å | 1.49Å | |
| N7 | H59 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | O7 | doub | 1.21Å | 1.23Å | |
| C35 | O8 | sing | 1.43Å | 1.42Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| O8 | H63 | sing | 0.97Å | 0.95Å | |
| N8 | C36 | sing | 1.48Å | 1.46Å | |
| N8 | H64 | sing | 0.98Å | 1.00Å | |
| C36 | C37 | sing | 1.50Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H65 | sing | 1.10Å | 1.10Å | |
| C37 | O9 | doub | 1.22Å | 1.23Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.54Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| N9 | C42 | sing | 1.48Å | 1.47Å | |
| N9 | H75 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | C44 | sing | 1.53Å | 1.54Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.22Å | 1.23Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | N10 | sing | 1.47Å | 1.52Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| C47 | H84 | sing | 1.09Å | 1.10Å | |
| N10 | H85 | sing | 1.01Å | 1.00Å | |
| N10 | H86 | sing | 1.01Å | 1.00Å | |
| N10 | H87 | sing | 1.01Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.52Å | |
| N11 | H88 | sing | 0.98Å | 1.00Å | |
| O11 | C48 | doub | 1.21Å | 1.22Å | |
| C49 | N11 | sing | 1.48Å | 1.47Å | |
| C49 | C50 | sing | 1.53Å | 1.52Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.10Å | 1.10Å | |
| C51 | C53 | sing | 1.53Å | 1.53Å | |
| C51 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | C51 | sing | 1.50Å | 1.51Å | |
| C52 | H93 | sing | 1.08Å | 1.08Å | |
| C53 | C50 | sing | 1.53Å | 1.52Å | |
| C53 | H94 | sing | 1.10Å | 1.10Å | |
| C53 | H95 | sing | 1.08Å | 1.10Å | |
| C54 | C49 | sing | 1.53Å | 1.53Å | |
| C54 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| N12 | C55 | sing | 1.47Å | 1.49Å | |
| N12 | H99 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.53Å | |
| C55 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | O12 | doub | 1.21Å | 1.23Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C57 | H101 | sing | 1.09Å | 1.10Å | |
| C57 | H102 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.51Å | 1.53Å | |
| C58 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C59 | O13 | doub | 1.21Å | 1.23Å | |
| C59 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | H105 | sing | 0.97Å | 1.00Å | |
| N13 | H106 | sing | 0.97Å | 1.00Å | |
| N14 | C60 | sing | 1.47Å | 1.46Å | |
| N14 | H107 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.51Å | 1.53Å | |
| C60 | C62 | sing | 1.53Å | 1.53Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C61 | O14 | doub | 1.21Å | 1.23Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | H109 | sing | 1.09Å | 1.10Å | |
| C62 | H110 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.53Å | |
| C63 | H111 | sing | 1.09Å | 1.10Å | |
| C63 | H112 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | H113 | sing | 1.09Å | 1.10Å | |
| C64 | H114 | sing | 1.09Å | 1.10Å | |
| C65 | N15 | sing | 1.47Å | 1.49Å | |
| C65 | H115 | sing | 1.09Å | 1.10Å | |
| C65 | H116 | sing | 1.09Å | 1.10Å | |
| N15 | H117 | sing | 1.01Å | 1.00Å | |
| N15 | H118 | sing | 1.01Å | 1.00Å | |
| N15 | H119 | sing | 1.01Å | 1.00Å | |
| N16 | C66 | sing | 1.46Å | 0.00Å | |
| N16 | H120 | sing | 0.97Å | 0.00Å | |
| C66 | C67 | sing | 1.51Å | 0.00Å | |
| C66 | C68 | sing | 1.53Å | 0.00Å | |
| C66 | H121 | sing | 1.09Å | 0.00Å | |
| C67 | O15 | doub | 1.21Å | 0.00Å | |
| C67 | O16 | sing | 1.34Å | 0.00Å | |
| C68 | C69 | sing | 1.53Å | 0.00Å | |
| C68 | H122 | sing | 1.09Å | 0.00Å | |
| C68 | H123 | sing | 1.09Å | 0.00Å | |
| C69 | C70 | sing | 1.53Å | 0.00Å | |
| C69 | H124 | sing | 1.09Å | 0.00Å | |
| C69 | H125 | sing | 1.09Å | 0.00Å | |
| C70 | C71 | sing | 1.53Å | 0.00Å | |
| C70 | H126 | sing | 1.09Å | 0.00Å | |
| C70 | H127 | sing | 1.09Å | 0.00Å | |
| C71 | N17 | sing | 1.47Å | 0.00Å | |
| C71 | H128 | sing | 1.09Å | 0.00Å | |
| C71 | H129 | sing | 1.09Å | 0.00Å | |
| N17 | H130 | sing | 1.01Å | 0.00Å | |
| N17 | H131 | sing | 1.01Å | 0.00Å | |
| N17 | H132 | sing | 1.01Å | 0.00Å | |
| O16 | H133 | sing | 0.97Å | 0.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C15 | N5 | sing | 1.35Å | 1.33Å | |
| C21 | N6 | sing | 1.35Å | 1.28Å | |
| C26 | N7 | sing | 1.36Å | 1.28Å | |
| C30 | C52 | doub | 1.31Å | 1.46Å | |
| C34 | N8 | sing | 1.36Å | 1.33Å | |
| C37 | N9 | sing | 1.36Å | 1.34Å | |
| C43 | N11 | sing | 1.36Å | 1.27Å | |
| C48 | N12 | sing | 1.35Å | 1.26Å | |
| C56 | N14 | sing | 1.35Å | 1.33Å | |
| C61 | N16 | sing | 1.35Å | 39.87Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.7° | 120.0° |
| O1 | C1 | N1 | 123.3° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 115.0° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.3° | 120.0° |
| N1 | C3 | C4 | 110.4° | 109.5° |
| N1 | C3 | C5 | 107.7° | 109.5° |
| N1 | C3 | H5 | 110.2° | 109.5° |
| C3 | N1 | C1 | 123.4° | 120.0° |
| H4 | N1 | C1 | 118.3° | 120.0° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H5 | 109.5° | 109.5° |
| C3 | C4 | O2 | 121.4° | 120.0° |
| C3 | C4 | N2 | 117.8° | 120.0° |
| C5 | C3 | H5 | 109.1° | 109.5° |
| C3 | C5 | C6 | 115.0° | 109.5° |
| C3 | C5 | H6 | 108.1° | 109.5° |
| C3 | C5 | H7 | 108.1° | 109.4° |
| O2 | C4 | N2 | 119.5° | 120.0° |
| C6 | C5 | H6 | 108.1° | 109.5° |
| C6 | C5 | H7 | 108.1° | 109.5° |
| C5 | C6 | SE1 | 110.8° | 109.4° |
| C5 | C6 | H8 | 109.1° | 109.5° |
| C5 | C6 | H9 | 109.1° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| SE1 | C6 | H8 | 109.1° | 109.5° |
| SE1 | C6 | H9 | 109.1° | 109.4° |
| C6 | SE1 | C7 | 101.7° | 101.0° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| SE1 | C7 | H10 | 109.5° | 109.5° |
| SE1 | C7 | H11 | 109.5° | 109.4° |
| SE1 | C7 | H12 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 117.6° | 120.0° |
| N2 | C8 | C9 | 111.2° | 109.4° |
| N2 | C8 | C10 | 111.7° | 109.5° |
| N2 | C8 | H14 | 108.0° | 109.5° |
| C8 | N2 | C4 | 124.9° | 120.0° |
| H13 | N2 | C4 | 117.6° | 120.0° |
| C9 | C8 | C10 | 110.8° | 109.4° |
| C9 | C8 | H14 | 107.6° | 109.4° |
| C8 | C9 | O3 | 121.0° | 120.0° |
| C8 | C9 | N3 | 116.2° | 120.0° |
| C10 | C8 | H14 | 107.3° | 109.5° |
| C8 | C10 | C11 | 110.6° | 109.5° |
| C8 | C10 | C12 | 111.5° | 109.4° |
| C8 | C10 | H15 | 107.3° | 109.5° |
| O3 | C9 | N3 | 122.8° | 120.0° |
| C11 | C10 | C12 | 112.1° | 109.4° |
| C11 | C10 | H15 | 107.5° | 109.5° |
| C10 | C11 | C13 | 116.3° | 109.5° |
| C10 | C11 | H16 | 107.7° | 109.5° |
| C10 | C11 | H17 | 107.7° | 109.4° |
| C12 | C10 | H15 | 107.4° | 109.4° |
| C10 | C12 | H18 | 109.5° | 109.5° |
| C10 | C12 | H19 | 109.5° | 109.5° |
| C10 | C12 | H20 | 109.5° | 109.5° |
| C13 | C11 | H16 | 107.7° | 109.5° |
| C13 | C11 | H17 | 107.7° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.5° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| C11 | C13 | H23 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H23 | 109.5° | 109.4° |
| H22 | C13 | H23 | 109.4° | 109.5° |
| C14 | N3 | H24 | 119.0° | 120.0° |
| N3 | C14 | C15 | 113.9° | 109.5° |
| N3 | C14 | C16 | 108.9° | 109.5° |
| N3 | C14 | H25 | 108.2° | 109.5° |
| C14 | N3 | C9 | 121.9° | 120.0° |
| H24 | N3 | C9 | 119.1° | 120.0° |
| C15 | C14 | C16 | 110.9° | 109.5° |
| C15 | C14 | H25 | 107.2° | 109.4° |
| C14 | C15 | O4 | 120.0° | 119.9° |
| C14 | C15 | N5 | 117.4° | 120.0° |
| C16 | C14 | H25 | 107.4° | 109.5° |
| C14 | C16 | C17 | 115.4° | 109.4° |
| C14 | C16 | H26 | 108.0° | 109.5° |
| C14 | C16 | H27 | 108.0° | 109.5° |
| O4 | C15 | N5 | 122.6° | 120.0° |
| C17 | C16 | H26 | 108.0° | 109.5° |
| C17 | C16 | H27 | 108.0° | 109.4° |
| C16 | C17 | C18 | 110.4° | 109.5° |
| C16 | C17 | H28 | 109.3° | 109.5° |
| C16 | C17 | H29 | 109.3° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| C18 | C17 | H28 | 109.2° | 109.4° |
| C18 | C17 | H29 | 109.2° | 109.4° |
| C17 | C18 | C19 | 110.4° | 109.5° |
| C17 | C18 | H30 | 109.3° | 109.4° |
| C17 | C18 | H31 | 109.2° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| C19 | C18 | H30 | 109.2° | 109.5° |
| C19 | C18 | H31 | 109.3° | 109.5° |
| C18 | C19 | N4 | 111.1° | 109.4° |
| C18 | C19 | H32 | 109.1° | 109.5° |
| C18 | C19 | H33 | 109.1° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| N4 | C19 | H32 | 109.1° | 109.5° |
| N4 | C19 | H33 | 109.1° | 109.4° |
| C19 | N4 | H34 | 109.5° | 109.4° |
| C19 | N4 | H35 | 109.5° | 109.5° |
| C19 | N4 | H36 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H34 | N4 | H35 | 109.5° | 109.5° |
| H34 | N4 | H36 | 109.4° | 109.5° |
| H35 | N4 | H36 | 109.5° | 109.5° |
| C20 | N5 | H37 | 119.0° | 120.0° |
| N5 | C20 | C21 | 113.8° | 109.4° |
| N5 | C20 | C22 | 111.6° | 109.4° |
| N5 | C20 | H38 | 107.5° | 109.5° |
| C20 | N5 | C15 | 122.1° | 120.0° |
| H37 | N5 | C15 | 119.0° | 120.0° |
| C21 | C20 | C22 | 110.1° | 109.5° |
| C21 | C20 | H38 | 106.8° | 109.5° |
| C20 | C21 | O5 | 119.4° | 120.0° |
| C20 | C21 | N6 | 119.2° | 119.9° |
| C22 | C20 | H38 | 106.7° | 109.5° |
| C20 | C22 | C23 | 115.8° | 109.5° |
| C20 | C22 | H39 | 107.9° | 109.5° |
| C20 | C22 | H40 | 107.8° | 109.5° |
| O5 | C21 | N6 | 121.2° | 120.0° |
| C23 | C22 | H39 | 107.8° | 109.5° |
| C23 | C22 | H40 | 107.9° | 109.4° |
| C22 | C23 | C24 | 110.3° | 109.4° |
| C22 | C23 | C25 | 111.5° | 109.5° |
| C22 | C23 | H41 | 108.1° | 109.5° |
| H39 | C22 | H40 | 109.5° | 109.5° |
| C24 | C23 | C25 | 110.3° | 109.5° |
| C24 | C23 | H41 | 108.2° | 109.5° |
| C23 | C24 | H42 | 109.5° | 109.4° |
| C23 | C24 | H43 | 109.5° | 109.5° |
| C23 | C24 | H44 | 109.5° | 109.4° |
| C25 | C23 | H41 | 108.3° | 109.5° |
| C23 | C25 | H45 | 109.5° | 109.4° |
| C23 | C25 | H46 | 109.5° | 109.4° |
| C23 | C25 | H47 | 109.4° | 109.5° |
| H42 | C24 | H43 | 109.4° | 109.5° |
| H42 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H45 | C25 | H46 | 109.5° | 109.4° |
| H45 | C25 | H47 | 109.5° | 109.5° |
| H46 | C25 | H47 | 109.5° | 109.6° |
| C27 | C26 | O6 | 118.6° | 119.8° |
| C26 | C27 | N6 | 107.2° | 108.7° |
| C26 | C27 | C28 | 109.8° | 109.0° |
| C26 | C27 | C32 | 112.3° | 108.8° |
| C27 | C26 | N7 | 119.7° | 119.9° |
| H48 | N6 | C27 | 116.0° | 120.0° |
| H48 | N6 | C21 | 116.1° | 120.0° |
| O6 | C26 | N7 | 121.4° | 120.3° |
| N6 | C27 | C28 | 110.3° | 108.7° |
| N6 | C27 | C32 | 107.7° | 108.7° |
| C27 | N6 | C21 | 127.9° | 120.0° |
| C27 | C28 | H49 | 108.2° | 108.8° |
| C27 | C28 | H50 | 108.3° | 109.0° |
| C27 | C28 | C31 | 114.3° | 114.3° |
| C28 | C27 | C32 | 109.4° | 112.8° |
| H49 | C28 | H50 | 109.4° | 106.8° |
| H49 | C28 | C31 | 108.3° | 109.0° |
| H50 | C28 | C31 | 108.3° | 108.7° |
| C31 | C29 | H51 | 108.9° | 110.1° |
| C31 | C29 | H52 | 108.9° | 109.3° |
| C31 | C29 | C30 | 111.8° | 110.1° |
| C29 | C31 | C28 | 112.2° | 110.2° |
| C29 | C31 | H54 | 108.8° | 111.8° |
| C29 | C31 | H55 | 108.8° | 106.9° |
| H51 | C29 | H52 | 109.5° | 108.8° |
| H51 | C29 | C30 | 108.9° | 109.4° |
| H52 | C29 | C30 | 108.9° | 109.2° |
| C29 | C30 | H53 | 118.6° | 120.3° |
| C29 | C30 | C52 | 122.9° | 119.2° |
| H53 | C30 | C52 | 118.5° | 120.5° |
| C28 | C31 | H54 | 108.8° | 113.3° |
| C28 | C31 | H55 | 108.8° | 107.3° |
| H54 | C31 | H55 | 109.5° | 106.9° |
| C27 | C32 | H56 | 109.5° | 109.4° |
| C27 | C32 | H57 | 109.4° | 109.4° |
| C27 | C32 | H58 | 109.5° | 109.4° |
| H56 | C32 | H57 | 109.5° | 109.6° |
| H56 | C32 | H58 | 109.4° | 109.5° |
| H57 | C32 | H58 | 109.5° | 109.5° |
| C33 | N7 | H59 | 118.8° | 120.6° |
| N7 | C33 | C34 | 111.5° | 108.9° |
| N7 | C33 | C35 | 112.3° | 109.2° |
| N7 | C33 | H60 | 107.3° | 109.9° |
| C33 | N7 | C26 | 122.4° | 116.4° |
| H59 | N7 | C26 | 118.8° | 122.9° |
| C34 | C33 | C35 | 111.8° | 109.4° |
| C34 | C33 | H60 | 106.8° | 109.5° |
| C33 | C34 | O7 | 120.1° | 119.5° |
| C33 | C34 | N8 | 116.6° | 118.7° |
| C35 | C33 | H60 | 106.8° | 109.9° |
| C33 | C35 | O8 | 111.8° | 109.5° |
| C33 | C35 | H61 | 108.9° | 109.5° |
| C33 | C35 | H62 | 108.9° | 109.5° |
| O7 | C34 | N8 | 123.2° | 121.8° |
| O8 | C35 | H61 | 108.9° | 109.5° |
| O8 | C35 | H62 | 108.9° | 109.4° |
| C35 | O8 | H63 | 109.5° | 114.0° |
| H61 | C35 | H62 | 109.4° | 109.4° |
| C36 | N8 | H64 | 119.2° | 120.6° |
| N8 | C36 | C37 | 113.1° | 110.0° |
| N8 | C36 | C38 | 111.3° | 110.3° |
| N8 | C36 | H65 | 107.6° | 108.4° |
| C36 | N8 | C34 | 121.6° | 118.0° |
| H64 | N8 | C34 | 119.2° | 121.4° |
| C37 | C36 | C38 | 111.1° | 111.6° |
| C37 | C36 | H65 | 106.6° | 108.1° |
| C36 | C37 | O9 | 119.7° | 119.8° |
| C36 | C37 | N9 | 117.8° | 120.4° |
| C38 | C36 | H65 | 106.6° | 108.5° |
| C36 | C38 | C39 | 116.2° | 109.5° |
| C36 | C38 | H66 | 107.8° | 109.5° |
| C36 | C38 | H67 | 107.7° | 109.5° |
| O9 | C37 | N9 | 122.5° | 119.8° |
| C39 | C38 | H66 | 107.7° | 109.4° |
| C39 | C38 | H67 | 107.8° | 109.5° |
| C38 | C39 | C40 | 111.4° | 109.5° |
| C38 | C39 | C41 | 111.7° | 109.5° |
| C38 | C39 | H68 | 107.8° | 109.5° |
| H66 | C38 | H67 | 109.5° | 109.5° |
| C40 | C39 | C41 | 110.1° | 109.5° |
| C40 | C39 | H68 | 107.9° | 109.4° |
| C39 | C40 | H69 | 109.5° | 109.5° |
| C39 | C40 | H70 | 109.5° | 109.5° |
| C39 | C40 | H71 | 109.4° | 109.5° |
| C41 | C39 | H68 | 107.8° | 109.5° |
| C39 | C41 | H72 | 109.5° | 109.5° |
| C39 | C41 | H73 | 109.5° | 109.4° |
| C39 | C41 | H74 | 109.4° | 109.5° |
| H69 | C40 | H70 | 109.5° | 109.4° |
| H69 | C40 | H71 | 109.4° | 109.4° |
| H70 | C40 | H71 | 109.5° | 109.5° |
| H72 | C41 | H73 | 109.4° | 109.5° |
| H72 | C41 | H74 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.5° |
| C42 | N9 | H75 | 119.6° | 119.4° |
| N9 | C42 | C43 | 111.3° | 109.4° |
| N9 | C42 | C44 | 112.1° | 108.7° |
| N9 | C42 | H76 | 108.3° | 109.1° |
| C42 | N9 | C37 | 120.8° | 117.8° |
| H75 | N9 | C37 | 119.6° | 122.8° |
| C43 | C42 | C44 | 109.9° | 110.4° |
| C43 | C42 | H76 | 107.5° | 109.5° |
| C42 | C43 | O10 | 119.7° | 118.5° |
| C42 | C43 | N11 | 120.1° | 119.6° |
| C44 | C42 | H76 | 107.4° | 109.7° |
| C42 | C44 | C45 | 114.9° | 109.5° |
| C42 | C44 | H77 | 108.1° | 109.5° |
| C42 | C44 | H78 | 108.1° | 109.4° |
| O10 | C43 | N11 | 119.5° | 121.9° |
| C45 | C44 | H77 | 108.1° | 109.5° |
| C45 | C44 | H78 | 108.1° | 109.5° |
| C44 | C45 | C46 | 111.5° | 109.4° |
| C44 | C45 | H79 | 109.0° | 109.4° |
| C44 | C45 | H80 | 109.0° | 109.5° |
| H77 | C44 | H78 | 109.5° | 109.5° |
| C46 | C45 | H79 | 108.9° | 109.4° |
| C46 | C45 | H80 | 109.0° | 109.5° |
| C45 | C46 | C47 | 109.9° | 109.4° |
| C45 | C46 | H81 | 109.4° | 109.4° |
| C45 | C46 | H82 | 109.4° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.5° |
| C47 | C46 | H81 | 109.4° | 109.5° |
| C47 | C46 | H82 | 109.4° | 109.5° |
| C46 | C47 | N10 | 110.9° | 109.5° |
| C46 | C47 | H83 | 109.1° | 109.5° |
| C46 | C47 | H84 | 109.1° | 109.5° |
| H81 | C46 | H82 | 109.5° | 109.5° |
| N10 | C47 | H83 | 109.1° | 109.4° |
| N10 | C47 | H84 | 109.1° | 109.4° |
| C47 | N10 | H85 | 109.5° | 109.5° |
| C47 | N10 | H86 | 109.5° | 109.5° |
| C47 | N10 | H87 | 109.5° | 109.5° |
| H83 | C47 | H84 | 109.5° | 109.5° |
| H85 | N10 | H86 | 109.5° | 109.5° |
| H85 | N10 | H87 | 109.5° | 109.4° |
| H86 | N10 | H87 | 109.5° | 109.4° |
| C49 | C48 | O11 | 120.0° | 120.0° |
| C48 | C49 | N11 | 109.4° | 108.4° |
| C48 | C49 | C50 | 105.7° | 109.1° |
| C48 | C49 | C54 | 109.9° | 109.0° |
| C49 | C48 | N12 | 125.1° | 120.0° |
| H88 | N11 | C49 | 114.7° | 119.5° |
| H88 | N11 | C43 | 114.7° | 123.1° |
| O11 | C48 | N12 | 114.6° | 119.9° |
| N11 | C49 | C50 | 111.4° | 108.5° |
| N11 | C49 | C54 | 109.0° | 110.1° |
| C49 | N11 | C43 | 130.6° | 117.4° |
| C49 | C50 | H89 | 108.2° | 110.1° |
| C49 | C50 | H90 | 108.2° | 109.0° |
| C49 | C50 | C53 | 114.3° | 112.1° |
| C50 | C49 | C54 | 111.4° | 111.7° |
| H89 | C50 | H90 | 109.5° | 107.7° |
| H89 | C50 | C53 | 108.2° | 109.2° |
| H90 | C50 | C53 | 108.3° | 108.6° |
| C53 | C51 | H91 | 109.6° | 109.2° |
| C53 | C51 | H92 | 109.5° | 109.3° |
| C53 | C51 | C52 | 109.1° | 110.1° |
| C51 | C53 | C50 | 110.3° | 108.7° |
| C51 | C53 | H94 | 109.3° | 108.3° |
| C51 | C53 | H95 | 109.3° | 110.2° |
| H91 | C51 | H92 | 109.5° | 109.3° |
| H91 | C51 | C52 | 109.6° | 109.7° |
| H92 | C51 | C52 | 109.6° | 109.3° |
| C51 | C52 | H93 | 110.3° | 120.6° |
| C51 | C52 | C30 | 139.3° | 119.4° |
| H93 | C52 | C30 | 110.4° | 119.9° |
| C50 | C53 | H94 | 109.2° | 108.6° |
| C50 | C53 | H95 | 109.2° | 112.8° |
| H94 | C53 | H95 | 109.5° | 108.2° |
| C49 | C54 | H96 | 109.5° | 109.5° |
| C49 | C54 | H97 | 109.5° | 109.5° |
| C49 | C54 | H98 | 109.5° | 109.5° |
| H96 | C54 | H97 | 109.5° | 109.4° |
| H96 | C54 | H98 | 109.5° | 109.5° |
| H97 | C54 | H98 | 109.5° | 109.4° |
| C55 | N12 | H99 | 112.2° | 120.1° |
| N12 | C55 | C56 | 112.7° | 109.4° |
| N12 | C55 | C57 | 110.7° | 109.5° |
| N12 | C55 | H100 | 108.0° | 109.5° |
| C55 | N12 | C48 | 135.6° | 120.0° |
| H99 | N12 | C48 | 112.2° | 119.9° |
| C56 | C55 | C57 | 110.1° | 109.5° |
| C56 | C55 | H100 | 107.6° | 109.5° |
| C55 | C56 | O12 | 120.2° | 120.0° |
| C55 | C56 | N14 | 116.6° | 120.0° |
| C57 | C55 | H100 | 107.5° | 109.5° |
| C55 | C57 | C58 | 113.6° | 109.4° |
| C55 | C57 | H101 | 108.4° | 109.5° |
| C55 | C57 | H102 | 108.4° | 109.5° |
| O12 | C56 | N14 | 123.1° | 120.0° |
| C58 | C57 | H101 | 108.4° | 109.4° |
| C58 | C57 | H102 | 108.4° | 109.5° |
| C57 | C58 | C59 | 113.3° | 109.5° |
| C57 | C58 | H103 | 108.5° | 109.5° |
| C57 | C58 | H104 | 108.5° | 109.5° |
| H101 | C57 | H102 | 109.4° | 109.5° |
| C59 | C58 | H103 | 108.5° | 109.4° |
| C59 | C58 | H104 | 108.5° | 109.5° |
| C58 | C59 | O13 | 120.5° | 120.0° |
| C58 | C59 | N13 | 117.0° | 120.0° |
| H103 | C58 | H104 | 109.5° | 109.5° |
| O13 | C59 | N13 | 122.5° | 120.0° |
| C59 | N13 | H105 | 120.0° | 120.0° |
| C59 | N13 | H106 | 120.0° | 120.0° |
| H105 | N13 | H106 | 120.0° | 120.0° |
| C60 | N14 | H107 | 118.9° | 120.0° |
| N14 | C60 | C61 | 111.1° | 109.5° |
| N14 | C60 | C62 | 110.3° | 109.5° |
| N14 | C60 | H108 | 108.9° | 109.4° |
| C60 | N14 | C56 | 122.3° | 120.0° |
| H107 | N14 | C56 | 118.9° | 120.0° |
| C61 | C60 | C62 | 110.4° | 109.5° |
| C61 | C60 | H108 | 108.1° | 109.4° |
| C60 | C61 | O14 | 120.7° | 120.0° |
| C60 | C61 | N16 | 71.2° | 120.0° |
| C62 | C60 | H108 | 108.0° | 109.5° |
| C60 | C62 | C63 | 114.5° | 109.5° |
| C60 | C62 | H109 | 108.2° | 109.5° |
| C60 | C62 | H110 | 108.2° | 109.5° |
| O14 | C61 | N16 | 56.1° | 120.0° |
| C63 | C62 | H109 | 108.2° | 109.5° |
| C63 | C62 | H110 | 108.2° | 109.5° |
| C62 | C63 | C64 | 111.8° | 109.5° |
| C62 | C63 | H111 | 108.9° | 109.5° |
| C62 | C63 | H112 | 108.9° | 109.5° |
| H109 | C62 | H110 | 109.4° | 109.4° |
| C64 | C63 | H111 | 108.9° | 109.4° |
| C64 | C63 | H112 | 108.9° | 109.4° |
| C63 | C64 | C65 | 111.5° | 109.5° |
| C63 | C64 | H113 | 109.0° | 109.5° |
| C63 | C64 | H114 | 108.9° | 109.5° |
| H111 | C63 | H112 | 109.5° | 109.5° |
| C65 | C64 | H113 | 109.0° | 109.5° |
| C65 | C64 | H114 | 109.0° | 109.5° |
| C64 | C65 | N15 | 112.5° | 109.5° |
| C64 | C65 | H115 | 108.7° | 109.5° |
| C64 | C65 | H116 | 108.7° | 109.5° |
| H113 | C64 | H114 | 109.5° | 109.5° |
| N15 | C65 | H115 | 108.7° | 109.5° |
| N15 | C65 | H116 | 108.7° | 109.4° |
| C65 | N15 | H117 | 109.5° | 109.5° |
| C65 | N15 | H118 | 109.4° | 109.4° |
| C65 | N15 | H119 | 109.5° | 109.5° |
| H115 | C65 | H116 | 109.5° | 109.5° |
| H117 | N15 | H118 | 109.5° | 109.5° |
| H117 | N15 | H119 | 109.5° | 109.5° |
| H118 | N15 | H119 | 109.5° | 109.4° |
| C66 | N16 | H120 | 90.0° | 120.0° |
| N16 | C66 | C67 | 90.0° | 109.5° |
| N16 | C66 | C68 | 90.0° | 109.5° |
| N16 | C66 | H121 | 90.0° | 109.4° |
| C66 | N16 | C61 | 90.0° | 120.0° |
| H120 | N16 | C61 | 90.0° | 120.0° |
| C67 | C66 | C68 | 90.0° | 109.5° |
| C67 | C66 | H121 | 90.0° | 109.5° |
| C66 | C67 | O15 | 90.0° | 120.0° |
| C66 | C67 | O16 | 90.0° | 120.0° |
| C68 | C66 | H121 | 90.0° | 109.5° |
| C66 | C68 | C69 | 90.0° | 109.5° |
| C66 | C68 | H122 | 90.0° | 109.5° |
| C66 | C68 | H123 | 90.0° | 109.5° |
| O15 | C67 | O16 | 90.0° | 120.0° |
| C67 | O16 | H133 | 90.0° | 117.0° |
| C69 | C68 | H122 | 90.0° | 109.5° |
| C69 | C68 | H123 | 90.0° | 109.4° |
| C68 | C69 | C70 | 90.0° | 109.5° |
| C68 | C69 | H124 | 90.0° | 109.5° |
| C68 | C69 | H125 | 90.0° | 109.5° |
| H122 | C68 | H123 | 90.0° | 109.4° |
| C70 | C69 | H124 | 90.0° | 109.5° |
| C70 | C69 | H125 | 90.0° | 109.5° |
| C69 | C70 | C71 | 90.0° | 109.5° |
| C69 | C70 | H126 | 90.0° | 109.4° |
| C69 | C70 | H127 | 90.0° | 109.4° |
| H124 | C69 | H125 | 90.0° | 109.4° |
| C71 | C70 | H126 | 90.0° | 109.5° |
| C71 | C70 | H127 | 90.0° | 109.5° |
| C70 | C71 | N17 | 90.0° | 109.4° |
| C70 | C71 | H128 | 90.0° | 109.5° |
| C70 | C71 | H129 | 90.0° | 109.5° |
| H126 | C70 | H127 | 90.0° | 109.5° |
| N17 | C71 | H128 | 90.0° | 109.4° |
| N17 | C71 | H129 | 90.0° | 109.5° |
| C71 | N17 | H130 | 90.0° | 109.4° |
| C71 | N17 | H131 | 90.0° | 109.5° |
| C71 | N17 | H132 | 90.0° | 109.5° |
| H128 | C71 | H129 | 90.0° | 109.5° |
| H130 | N17 | H131 | 90.0° | 109.5° |
| H130 | N17 | H132 | 90.0° | 109.5° |
| H131 | N17 | H132 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.2° | 0.0° |
| O1 | C1 | N1 | H4 | 179.8° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 119.9° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 179.6° | 179.7° |
| C2 | C1 | N1 | H4 | 0.4° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 179.8° | 179.7° |
| H2 | C2 | C1 | N1 | 60.2° | 59.7° |
| H3 | C2 | C1 | N1 | 59.8° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 118.7° | 120.0° |
| N1 | C3 | C4 | H5 | 121.5° | 120.0° |
| N1 | C3 | C5 | H5 | 119.7° | 120.0° |
| N1 | C3 | C4 | O2 | 102.3° | 20.0° |
| N1 | C3 | C5 | C6 | 49.5° | 65.0° |
| N1 | C3 | C5 | H6 | 71.3° | 55.0° |
| N1 | C3 | C5 | H7 | 170.2° | 175.0° |
| N1 | C3 | C4 | N2 | 64.5° | 160.0° |
| H4 | N1 | C3 | C4 | 76.5° | 120.0° |
| H4 | N1 | C3 | C5 | 43.5° | 120.0° |
| H4 | N1 | C3 | H5 | 162.4° | 0.0° |
| C4 | C3 | C5 | H5 | 120.0° | 120.0° |
| C3 | C4 | O2 | N2 | 166.6° | 179.9° |
| C4 | C3 | C5 | C6 | 169.8° | 175.0° |
| C4 | C3 | C5 | H6 | 49.0° | 65.0° |
| C4 | C3 | C5 | H7 | 69.4° | 55.0° |
| C3 | C4 | N2 | C8 | 167.7° | 180.0° |
| C3 | C4 | N2 | H13 | 12.4° | 0.1° |
| C4 | C3 | N1 | C1 | 103.5° | 60.0° |
| C5 | C3 | C4 | O2 | 16.4° | 100.0° |
| C3 | C5 | C6 | H6 | 120.8° | 120.0° |
| C3 | C5 | C6 | H7 | 120.8° | 120.0° |
| C3 | C5 | H6 | H7 | 117.5° | 120.0° |
| C3 | C5 | C6 | SE1 | 62.2° | 180.0° |
| C3 | C5 | C6 | H8 | 58.0° | 60.0° |
| C3 | C5 | C6 | H9 | 177.6° | 60.0° |
| C5 | C3 | N1 | C1 | 136.6° | 60.0° |
| C5 | C3 | C4 | N2 | 176.8° | 80.0° |
| H5 | C3 | C4 | O2 | 136.2° | 140.0° |
| H5 | C3 | C5 | C6 | 70.2° | 55.0° |
| H5 | C3 | C5 | H6 | 169.0° | 175.0° |
| H5 | C3 | C5 | H7 | 50.6° | 65.0° |
| H5 | C3 | N1 | C1 | 17.6° | 180.0° |
| H5 | C3 | C4 | N2 | 57.0° | 40.0° |
| O2 | C4 | N2 | C8 | 0.6° | 0.1° |
| O2 | C4 | N2 | H13 | 179.5° | 180.0° |
| C6 | C5 | H6 | H7 | 117.5° | 120.0° |
| C5 | C6 | SE1 | H8 | 120.2° | 120.0° |
| C5 | C6 | SE1 | H9 | 120.2° | 120.0° |
| C5 | C6 | H8 | H9 | 119.4° | 120.1° |
| C5 | C6 | SE1 | C7 | 174.9° | 180.0° |
| H6 | C5 | C6 | SE1 | 177.0° | 60.0° |
| H6 | C5 | C6 | H8 | 62.8° | 180.0° |
| H6 | C5 | C6 | H9 | 56.8° | 60.0° |
| H7 | C5 | C6 | SE1 | 58.6° | 60.0° |
| H7 | C5 | C6 | H8 | 178.8° | 59.9° |
| H7 | C5 | C6 | H9 | 61.6° | 180.0° |
| SE1 | C6 | H8 | H9 | 119.4° | 120.0° |
| C6 | SE1 | C7 | H10 | 180.0° | 180.0° |
| C6 | SE1 | C7 | H11 | 60.0° | 59.9° |
| C6 | SE1 | C7 | H12 | 60.0° | 60.0° |
| H8 | C6 | SE1 | C7 | 64.9° | 60.0° |
| H9 | C6 | SE1 | C7 | 54.7° | 60.0° |
| SE1 | C7 | H10 | H11 | 120.0° | 120.0° |
| SE1 | C7 | H10 | H12 | 120.0° | 120.0° |
| SE1 | C7 | H11 | H12 | 120.0° | 119.9° |
| H10 | C7 | H11 | H12 | 119.9° | 120.1° |
| C8 | N2 | H13 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 124.8° | 120.0° |
| N2 | C8 | C9 | H14 | 118.1° | 120.0° |
| N2 | C8 | C10 | H14 | 118.2° | 120.1° |
| N2 | C8 | C9 | O3 | 144.1° | 0.0° |
| N2 | C8 | C10 | C11 | 57.4° | 59.9° |
| N2 | C8 | C10 | C12 | 177.1° | 60.0° |
| N2 | C8 | C10 | H15 | 59.7° | 180.0° |
| N2 | C8 | C9 | N3 | 34.1° | 180.0° |
| H13 | N2 | C8 | C9 | 120.2° | 25.0° |
| H13 | N2 | C8 | C10 | 4.2° | 94.9° |
| H13 | N2 | C8 | H14 | 121.9° | 145.0° |
| C9 | C8 | C10 | H14 | 117.2° | 120.0° |
| C8 | C9 | O3 | N3 | 178.1° | 180.0° |
| C9 | C8 | C10 | C11 | 178.1° | 60.0° |
| C9 | C8 | C10 | C12 | 52.5° | 180.0° |
| C9 | C8 | C10 | H15 | 64.9° | 60.0° |
| C8 | C9 | N3 | C14 | 178.3° | 180.0° |
| C8 | C9 | N3 | H24 | 1.7° | 0.0° |
| C9 | C8 | N2 | C4 | 59.8° | 155.0° |
| C10 | C8 | C9 | O3 | 91.1° | 120.1° |
| C8 | C10 | C11 | C12 | 125.2° | 119.9° |
| C8 | C10 | C11 | H15 | 116.9° | 120.1° |
| C8 | C10 | C12 | H15 | 117.4° | 120.0° |
| C8 | C10 | C11 | C13 | 74.1° | 175.0° |
| C8 | C10 | C11 | H16 | 46.9° | 64.9° |
| C8 | C10 | C11 | H17 | 164.9° | 55.0° |
| C8 | C10 | C12 | H18 | 180.0° | 60.0° |
| C8 | C10 | C12 | H19 | 60.0° | 180.0° |
| C8 | C10 | C12 | H20 | 60.0° | 60.1° |
| C10 | C8 | N2 | C4 | 175.9° | 85.0° |
| C10 | C8 | C9 | N3 | 90.7° | 60.0° |
| H14 | C8 | C9 | O3 | 26.0° | 119.9° |
| H14 | C8 | C10 | C11 | 60.8° | 180.0° |
| H14 | C8 | C10 | C12 | 64.7° | 60.0° |
| H14 | C8 | C10 | H15 | 177.9° | 59.9° |
| H14 | C8 | N2 | C4 | 58.1° | 35.1° |
| H14 | C8 | C9 | N3 | 152.3° | 60.0° |
| O3 | C9 | N3 | C14 | 3.5° | 0.0° |
| O3 | C9 | N3 | H24 | 176.5° | 180.0° |
| C11 | C10 | C12 | H15 | 117.9° | 120.0° |
| C10 | C11 | C13 | H16 | 121.0° | 120.0° |
| C10 | C11 | C13 | H17 | 121.0° | 119.9° |
| C10 | C11 | H16 | H17 | 116.9° | 119.9° |
| C11 | C10 | C12 | H18 | 55.3° | 60.0° |
| C11 | C10 | C12 | H19 | 175.3° | 60.0° |
| C11 | C10 | C12 | H20 | 64.7° | 180.0° |
| C10 | C11 | C13 | H21 | 180.0° | 180.0° |
| C10 | C11 | C13 | H22 | 60.0° | 60.0° |
| C10 | C11 | C13 | H23 | 60.0° | 60.1° |
| C12 | C10 | C11 | C13 | 51.2° | 65.0° |
| C12 | C10 | C11 | H16 | 172.1° | 55.0° |
| C12 | C10 | C11 | H17 | 69.8° | 175.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H20 | 120.0° | 119.9° |
| H15 | C10 | C11 | C13 | 169.0° | 54.9° |
| H15 | C10 | C11 | H16 | 70.0° | 175.0° |
| H15 | C10 | C11 | H17 | 48.0° | 65.0° |
| H15 | C10 | C12 | H18 | 62.6° | 180.0° |
| H15 | C10 | C12 | H19 | 57.3° | 59.9° |
| H15 | C10 | C12 | H20 | 177.4° | 60.0° |
| C13 | C11 | H16 | H17 | 116.9° | 120.1° |
| C11 | C13 | H21 | H22 | 120.0° | 120.0° |
| C11 | C13 | H21 | H23 | 120.0° | 120.0° |
| C11 | C13 | H22 | H23 | 120.0° | 120.1° |
| H16 | C11 | C13 | H21 | 59.0° | 60.0° |
| H16 | C11 | C13 | H22 | 179.0° | 180.0° |
| H16 | C11 | C13 | H23 | 61.0° | 60.0° |
| H17 | C11 | C13 | H21 | 59.0° | 60.1° |
| H17 | C11 | C13 | H22 | 61.0° | 60.0° |
| H17 | C11 | C13 | H23 | 179.0° | 180.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H21 | C13 | H22 | H23 | 120.0° | 119.9° |
| C14 | N3 | H24 | C9 | 180.0° | 180.0° |
| N3 | C14 | C15 | C16 | 123.3° | 120.0° |
| N3 | C14 | C15 | H25 | 119.7° | 120.0° |
| N3 | C14 | C16 | H25 | 117.0° | 120.0° |
| N3 | C14 | C15 | O4 | 167.3° | 0.0° |
| N3 | C14 | C16 | C17 | 159.7° | 65.0° |
| N3 | C14 | C16 | H26 | 38.9° | 55.0° |
| N3 | C14 | C16 | H27 | 79.5° | 175.0° |
| N3 | C14 | C15 | N5 | 12.0° | 180.0° |
| H24 | N3 | C14 | C15 | 101.7° | 25.0° |
| H24 | N3 | C14 | C16 | 22.6° | 95.0° |
| H24 | N3 | C14 | H25 | 139.1° | 145.0° |
| C15 | C14 | C16 | H25 | 116.9° | 120.0° |
| C14 | C15 | O4 | N5 | 179.2° | 180.0° |
| C15 | C14 | C16 | C17 | 74.2° | 175.0° |
| C15 | C14 | C16 | H26 | 165.0° | 65.0° |
| C15 | C14 | C16 | H27 | 46.7° | 55.0° |
| C14 | C15 | N5 | C20 | 169.3° | 174.9° |
| C14 | C15 | N5 | H37 | 10.7° | 5.0° |
| C15 | C14 | N3 | C9 | 78.3° | 155.0° |
| C16 | C14 | C15 | O4 | 69.4° | 120.0° |
| C14 | C16 | C17 | H26 | 120.9° | 120.0° |
| C14 | C16 | C17 | H27 | 120.8° | 120.0° |
| C14 | C16 | H26 | H27 | 117.3° | 120.0° |
| C14 | C16 | C17 | C18 | 174.4° | 180.0° |
| C14 | C16 | C17 | H28 | 65.5° | 60.0° |
| C14 | C16 | C17 | H29 | 54.3° | 60.1° |
| C16 | C14 | N3 | C9 | 157.4° | 85.0° |
| C16 | C14 | C15 | N5 | 111.3° | 60.0° |
| H25 | C14 | C15 | O4 | 47.6° | 120.0° |
| H25 | C14 | C16 | C17 | 42.7° | 55.0° |
| H25 | C14 | C16 | H26 | 78.2° | 175.0° |
| H25 | C14 | C16 | H27 | 163.5° | 64.9° |
| H25 | C14 | N3 | C9 | 40.8° | 35.1° |
| H25 | C14 | C15 | N5 | 131.7° | 60.0° |
| O4 | C15 | N5 | C20 | 11.4° | 5.1° |
| O4 | C15 | N5 | H37 | 168.6° | 175.0° |
| C17 | C16 | H26 | H27 | 117.3° | 120.0° |
| C16 | C17 | C18 | H28 | 120.2° | 120.0° |
| C16 | C17 | C18 | H29 | 120.2° | 120.0° |
| C16 | C17 | H28 | H29 | 119.6° | 120.1° |
| C16 | C17 | C18 | C19 | 177.0° | NaN° |
| C16 | C17 | C18 | H30 | 62.9° | 60.0° |
| C16 | C17 | C18 | H31 | 56.8° | 60.0° |
| H26 | C16 | C17 | C18 | 53.5° | 60.0° |
| H26 | C16 | C17 | H28 | 173.7° | NaN° |
| H26 | C16 | C17 | H29 | 66.6° | 60.0° |
| H27 | C16 | C17 | C18 | 64.8° | 60.0° |
| H27 | C16 | C17 | H28 | 55.4° | 60.0° |
| H27 | C16 | C17 | H29 | 175.1° | 180.0° |
| C18 | C17 | H28 | H29 | 119.5° | 119.9° |
| C17 | C18 | C19 | H30 | 120.2° | 120.0° |
| C17 | C18 | C19 | H31 | 120.1° | 120.0° |
| C17 | C18 | H30 | H31 | 119.6° | 120.0° |
| C17 | C18 | C19 | N4 | 177.6° | 180.0° |
| C17 | C18 | C19 | H32 | 57.4° | 60.0° |
| C17 | C18 | C19 | H33 | 62.2° | 60.0° |
| H28 | C17 | C18 | C19 | 56.8° | 60.0° |
| H28 | C17 | C18 | H30 | 177.0° | 180.0° |
| H28 | C17 | C18 | H31 | 63.3° | 60.0° |
| H29 | C17 | C18 | C19 | 62.9° | 60.0° |
| H29 | C17 | C18 | H30 | 57.3° | 60.0° |
| H29 | C17 | C18 | H31 | 177.0° | 180.0° |
| C19 | C18 | H30 | H31 | 119.6° | 120.0° |
| C18 | C19 | N4 | H32 | 120.2° | 120.0° |
| C18 | C19 | N4 | H33 | 120.3° | 120.0° |
| C18 | C19 | H32 | H33 | 119.3° | 120.0° |
| C18 | C19 | N4 | H34 | 180.0° | 60.0° |
| C18 | C19 | N4 | H35 | 60.0° | 60.0° |
| C18 | C19 | N4 | H36 | 60.0° | 180.0° |
| H30 | C18 | C19 | N4 | 62.2° | 60.0° |
| H30 | C18 | C19 | H32 | 177.5° | 180.0° |
| H30 | C18 | C19 | H33 | 58.0° | 59.9° |
| H31 | C18 | C19 | N4 | 57.5° | 60.0° |
| H31 | C18 | C19 | H32 | 62.8° | 60.0° |
| H31 | C18 | C19 | H33 | 177.7° | 179.9° |
| N4 | C19 | H32 | H33 | 119.2° | 120.0° |
| C19 | N4 | H34 | H35 | 120.0° | 120.0° |
| C19 | N4 | H34 | H36 | 120.0° | 120.0° |
| C19 | N4 | H35 | H36 | 120.0° | 120.0° |
| H32 | C19 | N4 | H34 | 59.7° | 180.0° |
| H32 | C19 | N4 | H35 | 179.8° | 60.0° |
| H32 | C19 | N4 | H36 | 60.2° | 60.0° |
| H33 | C19 | N4 | H34 | 59.8° | 60.0° |
| H33 | C19 | N4 | H35 | 60.3° | 180.0° |
| H33 | C19 | N4 | H36 | 179.7° | 60.0° |
| H34 | N4 | H35 | H36 | 120.0° | 120.0° |
| C20 | N5 | H37 | C15 | 180.0° | 179.9° |
| N5 | C20 | C21 | C22 | 126.1° | 119.9° |
| N5 | C20 | C21 | H38 | 118.5° | 120.0° |
| N5 | C20 | C22 | H38 | 117.2° | 120.0° |
| N5 | C20 | C21 | O5 | 127.4° | 13.7° |
| N5 | C20 | C22 | C23 | 169.1° | 173.7° |
| N5 | C20 | C22 | H39 | 48.2° | 53.6° |
| N5 | C20 | C22 | H40 | 69.9° | 66.4° |
| N5 | C20 | C21 | N6 | 47.4° | 166.2° |
| H37 | N5 | C20 | C21 | 122.3° | 28.4° |
| H37 | N5 | C20 | C22 | 3.0° | 91.6° |
| H37 | N5 | C20 | H38 | 119.6° | 148.4° |
| C21 | C20 | C22 | H38 | 115.5° | 120.1° |
| C20 | C21 | O5 | N6 | 174.6° | 179.9° |
| C21 | C20 | C22 | C23 | 63.5° | 66.4° |
| C21 | C20 | C22 | H39 | 175.5° | 173.6° |
| C21 | C20 | C22 | H40 | 57.4° | 53.5° |
| C20 | C21 | N6 | H48 | 1.4° | 5.1° |
| C20 | C21 | N6 | C27 | 178.5° | 175.0° |
| C21 | C20 | N5 | C15 | 57.7° | 151.5° |
| C22 | C20 | C21 | O5 | 106.5° | 106.2° |
| C20 | C22 | C23 | H39 | 121.0° | 120.0° |
| C20 | C22 | C23 | H40 | 120.9° | 120.0° |
| C20 | C22 | H39 | H40 | 117.1° | 120.1° |
| C20 | C22 | C23 | C24 | 68.9° | 66.4° |
| C20 | C22 | C23 | C25 | 168.2° | 173.6° |
| C20 | C22 | C23 | H41 | 49.2° | 53.6° |
| C22 | C20 | N5 | C15 | 177.0° | 88.5° |
| C22 | C20 | C21 | N6 | 78.7° | 73.8° |
| H38 | C20 | C21 | O5 | 8.9° | 133.7° |
| H38 | C20 | C22 | C23 | 51.9° | 53.7° |
| H38 | C20 | C22 | H39 | 69.0° | 66.4° |
| H38 | C20 | C22 | H40 | 172.9° | 173.6° |
| H38 | C20 | N5 | C15 | 60.4° | 31.5° |
| H38 | C20 | C21 | N6 | 165.8° | 46.2° |
| O5 | C21 | N6 | H48 | 173.2° | 175.0° |
| O5 | C21 | N6 | C27 | 6.8° | 5.0° |
| C23 | C22 | H39 | H40 | 117.1° | 119.9° |
| C22 | C23 | C24 | C25 | 123.6° | 120.0° |
| C22 | C23 | C24 | H41 | 118.1° | 120.0° |
| C22 | C23 | C25 | H41 | 118.9° | 120.0° |
| C22 | C23 | C24 | H42 | 180.0° | 175.9° |
| C22 | C23 | C24 | H43 | 60.0° | 55.8° |
| C22 | C23 | C24 | H44 | 60.0° | 64.2° |
| C22 | C23 | C25 | H45 | 180.0° | 60.1° |
| C22 | C23 | C25 | H46 | 60.0° | 180.0° |
| C22 | C23 | C25 | H47 | 60.0° | 60.0° |
| H39 | C22 | C23 | C24 | 52.1° | 53.7° |
| H39 | C22 | C23 | C25 | 70.8° | 66.3° |
| H39 | C22 | C23 | H41 | 170.2° | 173.6° |
| H40 | C22 | C23 | C24 | 170.2° | 173.6° |
| H40 | C22 | C23 | C25 | 47.3° | 53.7° |
| H40 | C22 | C23 | H41 | 71.7° | 66.4° |
| C24 | C23 | C25 | H41 | 118.2° | 120.0° |
| C23 | C24 | H42 | H43 | 120.0° | 120.0° |
| C23 | C24 | H42 | H44 | 120.0° | 119.9° |
| C23 | C24 | H43 | H44 | 120.0° | 120.0° |
| C24 | C23 | C25 | H45 | 57.1° | 180.0° |
| C24 | C23 | C25 | H46 | 62.9° | 60.1° |
| C24 | C23 | C25 | H47 | 177.1° | 60.0° |
| C25 | C23 | C24 | H42 | 56.4° | 64.1° |
| C25 | C23 | C24 | H43 | 176.4° | 175.8° |
| C25 | C23 | C24 | H44 | 63.6° | 55.8° |
| C23 | C25 | H45 | H46 | 120.0° | 119.9° |
| C23 | C25 | H45 | H47 | 120.0° | 120.0° |
| C23 | C25 | H46 | H47 | 120.0° | 120.0° |
| H41 | C23 | C24 | H42 | 61.9° | 55.9° |
| H41 | C23 | C24 | H43 | 58.1° | 64.1° |
| H41 | C23 | C24 | H44 | 178.1° | 175.9° |
| H41 | C23 | C25 | H45 | 61.1° | 59.9° |
| H41 | C23 | C25 | H46 | 178.9° | 59.9° |
| H41 | C23 | C25 | H47 | 58.9° | 180.0° |
| H42 | C24 | H43 | H44 | 120.0° | 120.0° |
| H45 | C25 | H46 | H47 | 120.0° | 120.1° |
| C26 | C27 | N6 | H48 | 124.7° | 121.4° |
| C27 | C26 | O6 | N7 | 173.6° | 179.4° |
| C26 | C27 | N6 | C28 | 119.6° | 118.5° |
| C26 | C27 | N6 | C32 | 121.1° | 118.3° |
| C26 | C27 | C28 | C32 | 123.7° | 121.0° |
| C26 | C27 | C28 | H49 | 173.6° | 109.0° |
| C26 | C27 | C28 | H50 | 55.1° | 7.2° |
| C26 | C27 | C28 | C31 | 65.6° | 129.0° |
| C26 | C27 | C32 | H56 | 180.0° | 60.0° |
| C26 | C27 | C32 | H57 | 60.0° | 180.0° |
| C26 | C27 | C32 | H58 | 60.0° | 60.0° |
| C27 | C26 | N7 | C33 | 176.7° | 177.2° |
| C27 | C26 | N7 | H59 | 3.3° | 3.4° |
| C26 | C27 | N6 | C21 | 55.3° | 58.7° |
| H48 | N6 | C27 | C21 | 180.0° | 180.0° |
| H48 | N6 | C27 | C28 | 5.2° | 120.1° |
| H48 | N6 | C27 | C32 | 114.2° | 3.1° |
| O6 | C26 | C27 | N6 | 124.5° | 151.3° |
| O6 | C26 | C27 | C28 | 115.6° | 32.9° |
| O6 | C26 | C27 | C32 | 6.3° | 90.5° |
| O6 | C26 | N7 | C33 | 9.8° | 3.4° |
| O6 | C26 | N7 | H59 | 170.2° | 176.0° |
| N6 | C27 | C28 | C32 | 118.3° | 120.6° |
| N6 | C27 | C28 | H49 | 55.6° | 9.4° |
| N6 | C27 | C28 | H50 | 62.9° | 125.5° |
| N6 | C27 | C28 | C31 | 176.3° | 112.7° |
| N6 | C27 | C32 | H56 | 62.1° | 58.3° |
| N6 | C27 | C32 | H57 | 177.9° | 61.8° |
| N6 | C27 | C32 | H58 | 57.8° | 178.2° |
| N6 | C27 | C26 | N7 | 49.2° | 29.3° |
| C27 | C28 | H49 | H50 | 117.8° | 117.6° |
| C27 | C28 | H49 | C31 | 124.4° | 125.2° |
| C27 | C28 | H50 | C31 | 124.4° | 125.2° |
| C27 | C28 | C31 | C29 | 97.2° | 86.8° |
| C27 | C28 | C31 | H54 | 142.3° | 39.4° |
| C27 | C28 | C31 | H55 | 23.2° | 157.2° |
| C28 | C27 | C32 | H56 | 57.8° | 178.9° |
| C28 | C27 | C32 | H57 | 62.2° | 58.9° |
| C28 | C27 | C32 | H58 | 177.8° | 61.1° |
| C28 | C27 | N6 | C21 | 174.9° | 59.9° |
| C28 | C27 | C26 | N7 | 70.7° | 147.7° |
| H49 | C28 | H50 | C31 | 117.8° | 117.4° |
| H49 | C28 | C31 | C29 | 142.0° | 151.3° |
| H49 | C28 | C31 | H54 | 21.6° | 82.5° |
| H49 | C28 | C31 | H55 | 97.6° | 35.3° |
| H49 | C28 | C27 | C32 | 62.7° | 130.0° |
| H50 | C28 | C31 | C29 | 23.5° | 35.2° |
| H50 | C28 | C31 | H54 | 96.9° | 161.4° |
| H50 | C28 | C31 | H55 | 143.9° | 80.8° |
| H50 | C28 | C27 | C32 | 178.8° | 113.8° |
| C31 | C29 | H51 | H52 | 118.9° | 119.7° |
| C31 | C29 | H51 | C30 | 122.1° | 121.1° |
| C31 | C29 | H52 | C30 | 122.1° | 120.5° |
| C31 | C29 | C30 | H53 | 62.2° | 13.8° |
| C29 | C31 | C28 | H54 | 120.4° | 126.2° |
| C29 | C31 | C28 | H55 | 120.4° | 116.0° |
| C29 | C31 | H54 | H55 | 118.8° | 116.7° |
| C31 | C29 | C30 | C52 | 117.8° | 166.2° |
| H51 | C29 | H52 | C30 | 119.0° | 119.4° |
| H51 | C29 | C30 | H53 | 58.2° | 134.9° |
| H51 | C29 | C31 | C28 | 73.8° | 29.7° |
| H51 | C29 | C31 | H54 | 46.6° | 97.3° |
| H51 | C29 | C31 | H55 | 165.8° | 146.0° |
| H51 | C29 | C30 | C52 | 121.8° | 45.1° |
| H52 | C29 | C30 | H53 | 177.5° | 106.2° |
| H52 | C29 | C31 | C28 | 45.5° | 89.7° |
| H52 | C29 | C31 | H54 | 165.9° | 143.3° |
| H52 | C29 | C31 | H55 | 74.9° | 26.7° |
| H52 | C29 | C30 | C52 | 2.5° | 73.9° |
| C29 | C30 | H53 | C52 | 180.0° | 180.0° |
| C30 | C29 | C31 | C28 | 165.8° | 150.4° |
| C30 | C29 | C31 | H54 | 73.7° | 23.4° |
| C30 | C29 | C31 | H55 | 45.4° | 93.3° |
| C29 | C30 | C52 | C51 | 0.8° | 0.1° |
| C29 | C30 | C52 | H93 | 179.2° | 179.9° |
| H53 | C30 | C52 | C51 | 179.2° | 179.9° |
| H53 | C30 | C52 | H93 | 0.8° | 0.1° |
| C28 | C31 | H54 | H55 | 118.8° | 118.0° |
| C31 | C28 | C27 | C32 | 58.1° | 8.0° |
| C27 | C32 | H56 | H57 | 120.0° | 120.0° |
| C27 | C32 | H56 | H58 | 120.0° | 119.9° |
| C27 | C32 | H57 | H58 | 120.0° | 119.9° |
| C32 | C27 | N6 | C21 | 65.8° | 177.0° |
| C32 | C27 | C26 | N7 | 167.4° | 88.9° |
| H56 | C32 | H57 | H58 | 120.0° | 120.1° |
| C33 | N7 | H59 | C26 | 180.0° | 179.4° |
| N7 | C33 | C34 | C35 | 126.7° | 119.3° |
| N7 | C33 | C34 | H60 | 116.9° | 120.2° |
| N7 | C33 | C35 | H60 | 117.3° | 120.6° |
| N7 | C33 | C34 | O7 | 140.8° | 10.0° |
| N7 | C33 | C35 | O8 | 71.1° | 65.0° |
| N7 | C33 | C35 | H61 | 168.6° | 175.0° |
| N7 | C33 | C35 | H62 | 49.3° | 55.0° |
| N7 | C33 | C34 | N8 | 37.5° | 171.5° |
| H59 | N7 | C33 | C34 | 111.2° | 100.7° |
| H59 | N7 | C33 | C35 | 15.2° | 18.8° |
| H59 | N7 | C33 | H60 | 132.1° | 139.3° |
| C34 | C33 | C35 | H60 | 116.5° | 120.3° |
| C33 | C34 | O7 | N8 | 178.2° | 178.5° |
| C34 | C33 | C35 | O8 | 55.2° | 54.2° |
| C34 | C33 | C35 | H61 | 65.2° | 65.9° |
| C34 | C33 | C35 | H62 | 175.5° | 174.2° |
| C33 | C34 | N8 | C36 | 172.8° | 169.8° |
| C33 | C34 | N8 | H64 | 7.1° | 10.9° |
| C34 | C33 | N7 | C26 | 68.8° | 78.7° |
| C35 | C33 | C34 | O7 | 92.6° | 129.3° |
| C33 | C35 | O8 | H61 | 120.4° | 120.1° |
| C33 | C35 | O8 | H62 | 120.4° | 120.0° |
| C33 | C35 | H61 | H62 | 119.0° | 120.0° |
| C33 | C35 | O8 | H63 | 36.1° | 180.0° |
| C35 | C33 | N7 | C26 | 164.8° | 161.8° |
| C35 | C33 | C34 | N8 | 89.1° | 52.1° |
| H60 | C33 | C34 | O7 | 23.9° | 110.2° |
| H60 | C33 | C35 | O8 | 171.7° | 174.5° |
| H60 | C33 | C35 | H61 | 51.3° | 54.4° |
| H60 | C33 | C35 | H62 | 68.0° | 65.5° |
| H60 | C33 | N7 | C26 | 47.9° | 41.2° |
| H60 | C33 | C34 | N8 | 154.5° | 68.4° |
| O7 | C34 | N8 | C36 | 5.4° | 11.6° |
| O7 | C34 | N8 | H64 | 174.6° | 167.7° |
| O8 | C35 | H61 | H62 | 118.9° | 119.9° |
| H61 | C35 | O8 | H63 | 156.5° | 59.9° |
| H62 | C35 | O8 | H63 | 84.2° | 60.0° |
| C36 | N8 | H64 | C34 | 180.0° | 179.3° |
| N8 | C36 | C37 | C38 | 126.1° | 122.7° |
| N8 | C36 | C37 | H65 | 118.1° | 118.1° |
| N8 | C36 | C38 | H65 | 117.1° | 118.5° |
| N8 | C36 | C37 | O9 | 141.1° | 20.2° |
| N8 | C36 | C38 | C39 | 65.6° | 65.0° |
| N8 | C36 | C38 | H66 | 55.3° | 55.0° |
| N8 | C36 | C38 | H67 | 173.4° | 175.0° |
| N8 | C36 | C37 | N9 | 38.6° | 160.1° |
| H64 | N8 | C36 | C37 | 117.9° | 111.8° |
| H64 | N8 | C36 | C38 | 8.0° | 124.7° |
| H64 | N8 | C36 | H65 | 124.5° | 6.1° |
| C37 | C36 | C38 | H65 | 115.8° | 118.9° |
| C36 | C37 | O9 | N9 | 179.6° | 179.7° |
| C37 | C36 | C38 | C39 | 167.3° | 172.5° |
| C37 | C36 | C38 | H66 | 71.7° | 67.6° |
| C37 | C36 | C38 | H67 | 46.3° | 52.5° |
| C36 | C37 | N9 | C42 | 174.2° | 168.0° |
| C36 | C37 | N9 | H75 | 5.8° | 11.9° |
| C37 | C36 | N8 | C34 | 62.1° | 67.5° |
| C38 | C36 | C37 | O9 | 92.9° | 142.9° |
| C36 | C38 | C39 | H66 | 121.0° | 120.0° |
| C36 | C38 | C39 | H67 | 121.0° | 120.0° |
| C36 | C38 | H66 | H67 | 116.9° | 120.0° |
| C36 | C38 | C39 | C40 | 171.9° | 174.9° |
| C36 | C38 | C39 | C41 | 64.5° | 65.0° |
| C36 | C38 | C39 | H68 | 53.8° | 55.0° |
| C38 | C36 | N8 | C34 | 172.0° | 56.0° |
| C38 | C36 | C37 | N9 | 87.5° | 37.4° |
| H65 | C36 | C37 | O9 | 22.9° | 97.9° |
| H65 | C36 | C38 | C39 | 51.5° | 53.6° |
| H65 | C36 | C38 | H66 | 172.4° | 173.5° |
| H65 | C36 | C38 | H67 | 69.5° | 66.5° |
| H65 | C36 | N8 | C34 | 55.5° | 174.6° |
| H65 | C36 | C37 | N9 | 156.7° | 81.8° |
| O9 | C37 | N9 | C42 | 5.4° | 11.7° |
| O9 | C37 | N9 | H75 | 174.6° | 168.4° |
| C39 | C38 | H66 | H67 | 116.9° | 120.0° |
| C38 | C39 | C40 | C41 | 124.5° | 120.0° |
| C38 | C39 | C40 | H68 | 118.1° | 120.0° |
| C38 | C39 | C41 | H68 | 118.2° | 120.0° |
| C38 | C39 | C40 | H69 | 180.0° | 60.0° |
| C38 | C39 | C40 | H70 | 60.0° | 179.9° |
| C38 | C39 | C40 | H71 | 60.0° | 60.0° |
| C38 | C39 | C41 | H72 | 180.0° | 180.0° |
| C38 | C39 | C41 | H73 | 60.0° | 60.0° |
| C38 | C39 | C41 | H74 | 60.0° | 60.0° |
| H66 | C38 | C39 | C40 | 51.0° | 55.0° |
| H66 | C38 | C39 | C41 | 174.6° | 175.0° |
| H66 | C38 | C39 | H68 | 67.2° | 65.0° |
| H67 | C38 | C39 | C40 | 67.1° | 65.0° |
| H67 | C38 | C39 | C41 | 56.5° | 55.0° |
| H67 | C38 | C39 | H68 | 174.7° | 175.0° |
| C40 | C39 | C41 | H68 | 117.5° | 119.9° |
| C39 | C40 | H69 | H70 | 120.0° | 120.0° |
| C39 | C40 | H69 | H71 | 120.0° | 120.0° |
| C39 | C40 | H70 | H71 | 120.0° | 120.1° |
| C40 | C39 | C41 | H72 | 55.7° | 60.0° |
| C40 | C39 | C41 | H73 | 64.3° | 60.0° |
| C40 | C39 | C41 | H74 | 175.7° | 180.0° |
| C41 | C39 | C40 | H69 | 55.5° | 60.0° |
| C41 | C39 | C40 | H70 | 175.5° | 59.9° |
| C41 | C39 | C40 | H71 | 64.5° | 180.0° |
| C39 | C41 | H72 | H73 | 120.0° | 120.0° |
| C39 | C41 | H72 | H74 | 120.0° | 120.0° |
| C39 | C41 | H73 | H74 | 120.0° | 120.0° |
| H68 | C39 | C40 | H69 | 61.9° | 180.0° |
| H68 | C39 | C40 | H70 | 58.1° | 60.0° |
| H68 | C39 | C40 | H71 | 178.1° | 60.0° |
| H68 | C39 | C41 | H72 | 61.8° | 60.0° |
| H68 | C39 | C41 | H73 | 178.2° | 180.0° |
| H68 | C39 | C41 | H74 | 58.2° | 60.0° |
| H69 | C40 | H70 | H71 | 120.0° | 120.0° |
| H72 | C41 | H73 | H74 | 120.0° | 120.0° |
| C42 | N9 | H75 | C37 | 180.0° | 179.9° |
| N9 | C42 | C43 | C44 | 124.8° | 119.6° |
| N9 | C42 | C43 | H76 | 118.5° | 119.5° |
| N9 | C42 | C44 | H76 | 118.9° | 119.2° |
| N9 | C42 | C43 | O10 | 125.2° | 32.1° |
| N9 | C42 | C44 | C45 | 79.1° | 65.0° |
| N9 | C42 | C44 | H77 | 41.7° | 55.0° |
| N9 | C42 | C44 | H78 | 160.1° | 175.0° |
| N9 | C42 | C43 | N11 | 45.3° | 149.2° |
| H75 | N9 | C42 | C43 | 116.2° | 102.8° |
| H75 | N9 | C42 | C44 | 7.4° | 17.9° |
| H75 | N9 | C42 | H76 | 125.7° | 137.4° |
| C43 | C42 | C44 | H76 | 116.7° | 120.7° |
| C42 | C43 | O10 | N11 | 170.6° | 178.7° |
| C43 | C42 | C44 | C45 | 156.5° | 175.0° |
| C43 | C42 | C44 | H77 | 82.6° | 65.0° |
| C43 | C42 | C44 | H78 | 35.8° | 55.0° |
| C42 | C43 | N11 | H88 | 0.2° | 10.1° |
| C42 | C43 | N11 | C49 | 179.8° | 170.3° |
| C43 | C42 | N9 | C37 | 63.8° | 77.3° |
| C44 | C42 | C43 | O10 | 110.0° | 151.7° |
| C42 | C44 | C45 | H77 | 120.8° | 120.0° |
| C42 | C44 | C45 | H78 | 120.8° | 120.0° |
| C42 | C44 | H77 | H78 | 117.5° | 120.0° |
| C42 | C44 | C45 | C46 | 75.5° | 180.0° |
| C42 | C44 | C45 | H79 | 44.8° | 60.0° |
| C42 | C44 | C45 | H80 | 164.2° | 60.0° |
| C44 | C42 | N9 | C37 | 172.6° | 162.0° |
| C44 | C42 | C43 | N11 | 79.5° | 29.6° |
| H76 | C42 | C43 | O10 | 6.7° | 87.4° |
| H76 | C42 | C44 | C45 | 39.8° | 54.2° |
| H76 | C42 | C44 | H77 | 160.6° | 174.2° |
| H76 | C42 | C44 | H78 | 81.0° | 65.8° |
| H76 | C42 | N9 | C37 | 54.3° | 42.5° |
| H76 | C42 | C43 | N11 | 163.9° | 91.3° |
| O10 | C43 | N11 | H88 | 170.7° | 168.5° |
| O10 | C43 | N11 | C49 | 9.3° | 11.0° |
| C45 | C44 | H77 | H78 | 117.5° | 120.1° |
| C44 | C45 | C46 | H79 | 120.3° | 119.9° |
| C44 | C45 | C46 | H80 | 120.3° | 120.0° |
| C44 | C45 | H79 | H80 | 119.1° | 120.0° |
| C44 | C45 | C46 | C47 | 158.3° | 180.0° |
| C44 | C45 | C46 | H81 | 81.7° | 60.0° |
| C44 | C45 | C46 | H82 | 38.2° | 60.0° |
| H77 | C44 | C45 | C46 | 163.7° | 60.0° |
| H77 | C44 | C45 | H79 | 76.0° | 180.0° |
| H77 | C44 | C45 | H80 | 43.4° | 60.0° |
| H78 | C44 | C45 | C46 | 45.3° | 60.0° |
| H78 | C44 | C45 | H79 | 165.6° | 59.9° |
| H78 | C44 | C45 | H80 | 75.0° | 180.0° |
| C46 | C45 | H79 | H80 | 119.1° | 120.1° |
| C45 | C46 | C47 | H81 | 120.1° | 119.9° |
| C45 | C46 | C47 | H82 | 120.1° | 120.1° |
| C45 | C46 | H81 | H82 | 119.8° | 120.0° |
| C45 | C46 | C47 | N10 | 163.6° | 179.9° |
| C45 | C46 | C47 | H83 | 76.2° | 60.1° |
| C45 | C46 | C47 | H84 | 43.4° | 60.0° |
| H79 | C45 | C46 | C47 | 38.0° | 60.1° |
| H79 | C45 | C46 | H81 | 158.0° | 180.0° |
| H79 | C45 | C46 | H82 | 82.1° | 60.0° |
| H80 | C45 | C46 | C47 | 81.4° | 60.0° |
| H80 | C45 | C46 | H81 | 38.7° | 59.9° |
| H80 | C45 | C46 | H82 | 158.5° | 179.9° |
| C47 | C46 | H81 | H82 | 119.8° | 120.1° |
| C46 | C47 | N10 | H83 | 120.2° | 120.0° |
| C46 | C47 | N10 | H84 | 120.2° | 120.0° |
| C46 | C47 | H83 | H84 | 119.3° | 120.1° |
| C46 | C47 | N10 | H85 | 180.0° | 180.0° |
| C46 | C47 | N10 | H86 | 60.0° | 60.0° |
| C46 | C47 | N10 | H87 | 60.0° | 60.0° |
| H81 | C46 | C47 | N10 | 43.5° | 60.0° |
| H81 | C46 | C47 | H83 | 163.7° | 180.0° |
| H81 | C46 | C47 | H84 | 76.7° | 59.9° |
| H82 | C46 | C47 | N10 | 76.4° | 60.0° |
| H82 | C46 | C47 | H83 | 43.9° | 60.0° |
| H82 | C46 | C47 | H84 | 163.5° | 180.0° |
| N10 | C47 | H83 | H84 | 119.3° | 119.9° |
| C47 | N10 | H85 | H86 | 120.0° | 120.1° |
| C47 | N10 | H85 | H87 | 120.0° | 120.0° |
| C47 | N10 | H86 | H87 | 120.0° | 120.0° |
| H83 | C47 | N10 | H85 | 59.8° | 60.0° |
| H83 | C47 | N10 | H86 | 179.8° | 180.0° |
| H83 | C47 | N10 | H87 | 60.2° | 60.0° |
| H84 | C47 | N10 | H85 | 59.8° | 60.0° |
| H84 | C47 | N10 | H86 | 60.2° | 60.1° |
| H84 | C47 | N10 | H87 | 179.8° | 180.0° |
| H85 | N10 | H86 | H87 | 120.0° | 119.9° |
| C48 | C49 | N11 | H88 | 118.0° | 6.9° |
| C49 | C48 | O11 | N12 | 174.3° | 180.0° |
| C48 | C49 | N11 | C50 | 116.5° | 118.4° |
| C48 | C49 | N11 | C54 | 120.2° | 119.1° |
| C48 | C49 | C50 | C54 | 119.4° | 120.5° |
| C48 | C49 | C50 | H89 | 67.1° | 167.1° |
| C48 | C49 | C50 | H90 | 51.5° | 49.3° |
| C48 | C49 | C50 | C53 | 172.2° | 71.0° |
| C48 | C49 | C54 | H96 | 180.0° | 60.1° |
| C48 | C49 | C54 | H97 | 60.0° | 180.0° |
| C48 | C49 | C54 | H98 | 60.0° | 60.0° |
| C49 | C48 | N12 | C55 | 177.7° | 180.0° |
| C49 | C48 | N12 | H99 | 2.3° | 0.0° |
| C48 | C49 | N11 | C43 | 62.0° | 173.5° |
| H88 | N11 | C49 | C43 | 180.0° | 179.6° |
| H88 | N11 | C49 | C50 | 1.5° | 111.5° |
| H88 | N11 | C49 | C54 | 121.8° | 125.9° |
| O11 | C48 | C49 | N11 | 134.8° | 145.0° |
| O11 | C48 | C49 | C50 | 105.1° | 27.0° |
| O11 | C48 | C49 | C54 | 15.2° | 95.3° |
| O11 | C48 | N12 | C55 | 8.3° | 0.0° |
| O11 | C48 | N12 | H99 | 171.7° | 180.0° |
| N11 | C49 | C50 | C54 | 121.9° | 121.6° |
| N11 | C49 | C50 | H89 | 51.6° | 49.2° |
| N11 | C49 | C50 | H90 | 170.2° | 68.6° |
| N11 | C49 | C50 | C53 | 69.1° | 171.1° |
| N11 | C49 | C54 | H96 | 60.1° | 58.7° |
| N11 | C49 | C54 | H97 | 179.9° | 61.3° |
| N11 | C49 | C54 | H98 | 59.9° | 178.7° |
| N11 | C49 | C48 | N12 | 38.8° | 35.0° |
| C49 | C50 | H89 | H90 | 117.8° | 118.7° |
| C49 | C50 | H89 | C53 | 124.4° | 123.6° |
| C49 | C50 | H90 | C53 | 124.4° | 122.4° |
| C49 | C50 | C53 | C51 | 179.4° | 119.7° |
| C49 | C50 | C53 | H94 | 59.3° | 122.7° |
| C49 | C50 | C53 | H95 | 60.5° | 2.7° |
| C50 | C49 | C54 | H96 | 63.1° | 179.3° |
| C50 | C49 | C54 | H97 | 56.9° | 59.4° |
| C50 | C49 | C54 | H98 | 176.8° | 60.6° |
| C50 | C49 | N11 | C43 | 178.5° | 68.1° |
| C50 | C49 | C48 | N12 | 81.2° | 153.0° |
| H89 | C50 | H90 | C53 | 117.8° | 118.2° |
| H89 | C50 | C53 | C51 | 58.6° | 2.6° |
| H89 | C50 | C53 | H94 | 61.5° | 115.0° |
| H89 | C50 | C53 | H95 | 178.8° | 125.1° |
| H89 | C50 | C49 | C54 | 173.5° | 72.3° |
| H90 | C50 | C53 | C51 | 59.9° | 119.8° |
| H90 | C50 | C53 | H94 | 180.0° | 2.2° |
| H90 | C50 | C53 | H95 | 60.2° | 117.7° |
| H90 | C50 | C49 | C54 | 67.9° | 169.8° |
| C53 | C51 | H91 | H92 | 120.1° | 119.5° |
| C53 | C51 | H91 | C52 | 119.7° | 120.7° |
| C53 | C51 | H92 | C52 | 119.6° | 120.5° |
| C53 | C51 | C52 | H93 | 84.6° | 0.3° |
| C51 | C53 | C50 | H94 | 120.1° | 117.6° |
| C51 | C53 | C50 | H95 | 120.1° | 122.5° |
| C51 | C53 | H94 | H95 | 119.7° | 119.4° |
| C53 | C51 | C52 | C30 | 95.4° | 179.8° |
| H91 | C51 | H92 | C52 | 120.2° | 120.0° |
| H91 | C51 | C52 | H93 | 155.4° | 120.0° |
| H91 | C51 | C53 | C50 | 61.7° | 88.3° |
| H91 | C51 | C53 | H94 | 58.4° | 29.5° |
| H91 | C51 | C53 | H95 | 178.2° | 147.7° |
| H91 | C51 | C52 | C30 | 24.6° | 60.0° |
| H92 | C51 | C52 | H93 | 35.3° | 120.3° |
| H92 | C51 | C53 | C50 | 58.4° | 31.2° |
| H92 | C51 | C53 | H94 | 178.5° | 149.0° |
| H92 | C51 | C53 | H95 | 61.7° | 92.9° |
| H92 | C51 | C52 | C30 | 144.7° | 59.8° |
| C51 | C52 | H93 | C30 | 180.0° | 180.0° |
| C52 | C51 | C53 | C50 | 178.3° | 151.2° |
| C52 | C51 | C53 | H94 | 61.6° | 91.0° |
| C52 | C51 | C53 | H95 | 58.2° | 27.2° |
| C50 | C53 | H94 | H95 | 119.6° | 122.7° |
| C53 | C50 | C49 | C54 | 52.8° | 49.5° |
| C49 | C54 | H96 | H97 | 120.0° | 120.0° |
| C49 | C54 | H96 | H98 | 120.0° | 120.0° |
| C49 | C54 | H97 | H98 | 120.0° | 120.0° |
| C54 | C49 | N11 | C43 | 58.2° | 54.5° |
| C54 | C49 | C48 | N12 | 158.4° | 84.8° |
| H96 | C54 | H97 | H98 | 120.0° | 120.0° |
| C55 | N12 | H99 | C48 | 180.0° | 180.0° |
| N12 | C55 | C56 | C57 | 124.2° | 120.0° |
| N12 | C55 | C56 | H100 | 118.9° | 120.0° |
| N12 | C55 | C57 | H100 | 117.8° | 120.0° |
| N12 | C55 | C56 | O12 | 161.7° | 0.0° |
| N12 | C55 | C57 | C58 | 76.3° | 65.0° |
| N12 | C55 | C57 | H101 | 44.3° | 54.9° |
| N12 | C55 | C57 | H102 | 163.0° | 175.0° |
| N12 | C55 | C56 | N14 | 18.2° | 180.0° |
| H99 | N12 | C55 | C56 | 97.9° | 25.0° |
| H99 | N12 | C55 | C57 | 25.9° | 95.0° |
| H99 | N12 | C55 | H100 | 143.4° | 145.0° |
| C56 | C55 | C57 | H100 | 116.9° | 120.1° |
| C55 | C56 | O12 | N14 | 179.9° | 180.0° |
| C56 | C55 | C57 | C58 | 158.4° | 175.1° |
| C56 | C55 | C57 | H101 | 81.0° | 65.0° |
| C56 | C55 | C57 | H102 | 37.7° | 55.1° |
| C55 | C56 | N14 | C60 | 178.2° | 180.0° |
| C55 | C56 | N14 | H107 | 1.8° | 0.0° |
| C56 | C55 | N12 | C48 | 82.1° | 155.0° |
| C57 | C55 | C56 | O12 | 74.1° | 120.0° |
| C55 | C57 | C58 | H101 | 120.6° | 120.0° |
| C55 | C57 | C58 | H102 | 120.6° | 120.0° |
| C55 | C57 | H101 | H102 | 118.1° | 120.0° |
| C55 | C57 | C58 | C59 | 163.8° | 180.0° |
| C55 | C57 | C58 | H103 | 75.7° | 60.0° |
| C55 | C57 | C58 | H104 | 43.2° | 60.0° |
| C57 | C55 | N12 | C48 | 154.1° | 85.1° |
| C57 | C55 | C56 | N14 | 106.0° | 60.0° |
| H100 | C55 | C56 | O12 | 42.8° | 119.9° |
| H100 | C55 | C57 | C58 | 41.4° | 55.0° |
| H100 | C55 | C57 | H101 | 162.0° | 174.9° |
| H100 | C55 | C57 | H102 | 79.2° | 65.0° |
| H100 | C55 | N12 | C48 | 36.6° | 35.0° |
| H100 | C55 | C56 | N14 | 137.1° | 60.0° |
| O12 | C56 | N14 | C60 | 1.9° | 0.0° |
| O12 | C56 | N14 | H107 | 178.1° | 180.0° |
| C58 | C57 | H101 | H102 | 118.1° | 120.0° |
| C57 | C58 | C59 | H103 | 120.6° | 120.0° |
| C57 | C58 | C59 | H104 | 120.6° | 120.0° |
| C57 | C58 | H103 | H104 | 118.2° | 120.0° |
| C57 | C58 | C59 | O13 | 147.9° | 0.0° |
| C57 | C58 | C59 | N13 | 32.4° | 180.0° |
| H101 | C57 | C58 | C59 | 43.1° | 60.1° |
| H101 | C57 | C58 | H103 | 163.7° | 180.0° |
| H101 | C57 | C58 | H104 | 77.4° | 60.0° |
| H102 | C57 | C58 | C59 | 75.6° | 60.0° |
| H102 | C57 | C58 | H103 | 45.0° | 59.9° |
| H102 | C57 | C58 | H104 | 163.8° | 179.9° |
| C59 | C58 | H103 | H104 | 118.2° | 120.0° |
| C58 | C59 | O13 | N13 | 179.8° | 180.0° |
| C58 | C59 | N13 | H105 | 179.8° | 0.0° |
| C58 | C59 | N13 | H106 | 0.2° | 180.0° |
| H103 | C58 | C59 | O13 | 91.6° | 120.0° |
| H103 | C58 | C59 | N13 | 88.2° | 60.0° |
| H104 | C58 | C59 | O13 | 27.3° | 120.0° |
| H104 | C58 | C59 | N13 | 152.9° | 60.0° |
| O13 | C59 | N13 | H105 | 0.0° | 180.0° |
| O13 | C59 | N13 | H106 | 180.0° | 0.1° |
| C59 | N13 | H105 | H106 | 180.0° | 179.9° |
| C60 | N14 | H107 | C56 | 180.0° | 180.0° |
| N14 | C60 | C61 | C62 | 122.7° | 120.0° |
| N14 | C60 | C61 | H108 | 119.4° | 119.9° |
| N14 | C60 | C62 | H108 | 118.9° | 120.0° |
| N14 | C60 | C61 | O14 | 79.5° | 0.1° |
| N14 | C60 | C62 | C63 | 175.2° | 65.0° |
| N14 | C60 | C62 | H109 | 54.4° | 55.0° |
| N14 | C60 | C62 | H110 | 64.1° | 175.0° |
| N14 | C60 | C61 | N16 | 106.9° | 180.0° |
| H107 | N14 | C60 | C61 | 92.7° | 25.1° |
| H107 | N14 | C60 | C62 | 30.0° | 95.0° |
| H107 | N14 | C60 | H108 | 148.4° | 145.0° |
| C61 | C60 | C62 | H108 | 117.9° | 120.0° |
| C60 | C61 | O14 | N16 | 31.7° | 179.9° |
| C61 | C60 | C62 | C63 | 61.7° | 175.0° |
| C61 | C60 | C62 | H109 | 177.5° | 65.0° |
| C61 | C60 | C62 | H110 | 59.1° | 55.0° |
| C60 | C61 | N16 | C66 | 90.0° | 180.0° |
| C60 | C61 | N16 | H120 | 90.0° | 0.1° |
| C61 | C60 | N14 | C56 | 87.3° | 155.0° |
| C62 | C60 | C61 | O14 | 157.9° | 119.9° |
| C60 | C62 | C63 | H109 | 120.7° | 120.1° |
| C60 | C62 | C63 | H110 | 120.8° | 120.0° |
| C60 | C62 | H109 | H110 | 117.7° | 120.0° |
| C60 | C62 | C63 | C64 | 163.0° | 180.0° |
| C60 | C62 | C63 | H111 | 42.6° | 60.0° |
| C60 | C62 | C63 | H112 | 76.7° | 60.1° |
| C62 | C60 | N14 | C56 | 150.0° | 85.0° |
| C62 | C60 | C61 | N16 | 130.4° | 60.0° |
| H108 | C60 | C61 | O14 | 39.9° | 120.0° |
| H108 | C60 | C62 | C63 | 56.2° | 55.0° |
| H108 | C60 | C62 | H109 | 64.5° | 175.0° |
| H108 | C60 | C62 | H110 | 177.0° | 65.0° |
| H108 | C60 | N14 | C56 | 31.6° | 35.0° |
| H108 | C60 | C61 | N16 | 12.5° | 60.1° |
| O14 | C61 | N16 | C66 | 90.0° | 0.1° |
| O14 | C61 | N16 | H120 | 90.0° | 180.0° |
| C63 | C62 | H109 | H110 | 117.7° | 120.0° |
| C62 | C63 | C64 | H111 | 120.4° | 120.0° |
| C62 | C63 | C64 | H112 | 120.3° | 120.0° |
| C62 | C63 | H111 | H112 | 118.9° | 120.0° |
| C62 | C63 | C64 | C65 | 53.2° | NaN° |
| C62 | C63 | C64 | H113 | 173.6° | 60.0° |
| C62 | C63 | C64 | H114 | 67.1° | 60.0° |
| H109 | C62 | C63 | C64 | 76.3° | 60.0° |
| H109 | C62 | C63 | H111 | 163.4° | 180.0° |
| H109 | C62 | C63 | H112 | 44.1° | 60.0° |
| H110 | C62 | C63 | C64 | 42.2° | 60.0° |
| H110 | C62 | C63 | H111 | 78.1° | 60.0° |
| H110 | C62 | C63 | H112 | 162.6° | 179.9° |
| C64 | C63 | H111 | H112 | 119.0° | 119.9° |
| C63 | C64 | C65 | H113 | 120.3° | 120.0° |
| C63 | C64 | C65 | H114 | 120.3° | 120.0° |
| C63 | C64 | H113 | H114 | 119.1° | 120.0° |
| C63 | C64 | C65 | N15 | 172.6° | 180.0° |
| C63 | C64 | C65 | H115 | 66.9° | 60.0° |
| C63 | C64 | C65 | H116 | 52.1° | 60.0° |
| H111 | C63 | C64 | C65 | 67.1° | 60.0° |
| H111 | C63 | C64 | H113 | 53.2° | 180.0° |
| H111 | C63 | C64 | H114 | 172.6° | 60.0° |
| H112 | C63 | C64 | C65 | 173.6° | 60.0° |
| H112 | C63 | C64 | H113 | 66.1° | 60.0° |
| H112 | C63 | C64 | H114 | 53.3° | 180.0° |
| C65 | C64 | H113 | H114 | 119.1° | 120.0° |
| C64 | C65 | N15 | H115 | 120.5° | 120.0° |
| C64 | C65 | N15 | H116 | 120.4° | 120.0° |
| C64 | C65 | H115 | H116 | 118.6° | 120.0° |
| C64 | C65 | N15 | H117 | 180.0° | 59.9° |
| C64 | C65 | N15 | H118 | 60.0° | 60.1° |
| C64 | C65 | N15 | H119 | 60.0° | 180.0° |
| H113 | C64 | C65 | N15 | 52.3° | 59.9° |
| H113 | C64 | C65 | H115 | 172.8° | 180.0° |
| H113 | C64 | C65 | H116 | 68.2° | 60.0° |
| H114 | C64 | C65 | N15 | 67.1° | 60.0° |
| H114 | C64 | C65 | H115 | 53.3° | 60.0° |
| H114 | C64 | C65 | H116 | 172.4° | 179.9° |
| N15 | C65 | H115 | H116 | 118.6° | 120.0° |
| C65 | N15 | H117 | H118 | 120.0° | 120.0° |
| C65 | N15 | H117 | H119 | 120.0° | 120.0° |
| C65 | N15 | H118 | H119 | 120.0° | 119.9° |
| H115 | C65 | N15 | H117 | 59.5° | 180.0° |
| H115 | C65 | N15 | H118 | 179.5° | 60.0° |
| H115 | C65 | N15 | H119 | 60.5° | 60.0° |
| H116 | C65 | N15 | H117 | 59.6° | 60.0° |
| H116 | C65 | N15 | H118 | 60.4° | 180.0° |
| H116 | C65 | N15 | H119 | 179.6° | 60.0° |
| H117 | N15 | H118 | H119 | 120.0° | 120.0° |
| C66 | N16 | H120 | C61 | 90.0° | 179.9° |
| N16 | C66 | C67 | C68 | 90.0° | 120.0° |
| N16 | C66 | C67 | H121 | 90.0° | 120.0° |
| N16 | C66 | C68 | H121 | 90.0° | 120.0° |
| N16 | C66 | C67 | O15 | 90.0° | 0.0° |
| N16 | C66 | C67 | O16 | 90.0° | 180.0° |
| N16 | C66 | C68 | C69 | 90.0° | 65.0° |
| N16 | C66 | C68 | H122 | 90.0° | 175.0° |
| N16 | C66 | C68 | H123 | 90.0° | 55.0° |
| H120 | N16 | C66 | C67 | 90.0° | 95.0° |
| H120 | N16 | C66 | C68 | 90.0° | 25.0° |
| H120 | N16 | C66 | H121 | 90.0° | 145.0° |
| C67 | C66 | C68 | H121 | 90.0° | 120.0° |
| C66 | C67 | O15 | O16 | 90.0° | 180.0° |
| C67 | C66 | C68 | C69 | 90.0° | 175.0° |
| C67 | C66 | C68 | H122 | 90.0° | 55.0° |
| C67 | C66 | C68 | H123 | 90.0° | 65.0° |
| C66 | C67 | O16 | H133 | 90.0° | 180.0° |
| C67 | C66 | N16 | C61 | 90.0° | 84.9° |
| C68 | C66 | C67 | O15 | 90.0° | 120.0° |
| C68 | C66 | C67 | O16 | 90.0° | 60.0° |
| C66 | C68 | C69 | H122 | 90.0° | 120.0° |
| C66 | C68 | C69 | H123 | 90.0° | 120.1° |
| C66 | C68 | H122 | H123 | 90.0° | 120.0° |
| C66 | C68 | C69 | C70 | 90.0° | 180.0° |
| C66 | C68 | C69 | H124 | 90.0° | 60.0° |
| C66 | C68 | C69 | H125 | 90.0° | 60.0° |
| C68 | C66 | N16 | C61 | 90.0° | 155.0° |
| H121 | C66 | C67 | O15 | 90.0° | 120.0° |
| H121 | C66 | C67 | O16 | 90.0° | 60.0° |
| H121 | C66 | C68 | C69 | 90.0° | 55.0° |
| H121 | C66 | C68 | H122 | 90.0° | 65.0° |
| H121 | C66 | C68 | H123 | 90.0° | 175.0° |
| H121 | C66 | N16 | C61 | 90.0° | 35.0° |
| O15 | C67 | O16 | H133 | 90.0° | 0.0° |
| C69 | C68 | H122 | H123 | 90.0° | 119.9° |
| C68 | C69 | C70 | H124 | 90.0° | 120.0° |
| C68 | C69 | C70 | H125 | 90.0° | 120.0° |
| C68 | C69 | H124 | H125 | 90.0° | 120.0° |
| C68 | C69 | C70 | C71 | 90.0° | 180.0° |
| C68 | C69 | C70 | H126 | 90.0° | 60.0° |
| C68 | C69 | C70 | H127 | 90.0° | 60.0° |
| H122 | C68 | C69 | C70 | 90.0° | 60.0° |
| H122 | C68 | C69 | H124 | 90.0° | 180.0° |
| H122 | C68 | C69 | H125 | 90.0° | 60.0° |
| H123 | C68 | C69 | C70 | 90.0° | 60.0° |
| H123 | C68 | C69 | H124 | 90.0° | 60.1° |
| H123 | C68 | C69 | H125 | 90.0° | 180.0° |
| C70 | C69 | H124 | H125 | 90.0° | 120.0° |
| C69 | C70 | C71 | H126 | 90.0° | 120.0° |
| C69 | C70 | C71 | H127 | 90.0° | 120.0° |
| C69 | C70 | H126 | H127 | 90.0° | 120.0° |
| C69 | C70 | C71 | N17 | 90.0° | 180.0° |
| C69 | C70 | C71 | H128 | 90.0° | 60.0° |
| C69 | C70 | C71 | H129 | 90.0° | 60.0° |
| H124 | C69 | C70 | C71 | 90.0° | 60.0° |
| H124 | C69 | C70 | H126 | 90.0° | 180.0° |
| H124 | C69 | C70 | H127 | 90.0° | 60.0° |
| H125 | C69 | C70 | C71 | 90.0° | 60.0° |
| H125 | C69 | C70 | H126 | 90.0° | 60.0° |
| H125 | C69 | C70 | H127 | 90.0° | 180.0° |
| C71 | C70 | H126 | H127 | 90.0° | 120.1° |
| C70 | C71 | N17 | H128 | 90.0° | 120.0° |
| C70 | C71 | N17 | H129 | 90.0° | 120.0° |
| C70 | C71 | H128 | H129 | 90.0° | 120.0° |
| C70 | C71 | N17 | H130 | 90.0° | 60.0° |
| C70 | C71 | N17 | H131 | 90.0° | 60.0° |
| C70 | C71 | N17 | H132 | 90.0° | 179.9° |
| H126 | C70 | C71 | N17 | 90.0° | 60.0° |
| H126 | C70 | C71 | H128 | 90.0° | 180.0° |
| H126 | C70 | C71 | H129 | 90.0° | 60.0° |
| H127 | C70 | C71 | N17 | 90.0° | 60.0° |
| H127 | C70 | C71 | H128 | 90.0° | 59.9° |
| H127 | C70 | C71 | H129 | 90.0° | 179.9° |
| N17 | C71 | H128 | H129 | 90.0° | 120.0° |
| C71 | N17 | H130 | H131 | 90.0° | 120.0° |
| C71 | N17 | H130 | H132 | 90.0° | 120.0° |
| C71 | N17 | H131 | H132 | 90.0° | 119.9° |
| H128 | C71 | N17 | H130 | 90.0° | 180.0° |
| H128 | C71 | N17 | H131 | 90.0° | 60.0° |
| H128 | C71 | N17 | H132 | 90.0° | 60.0° |
| H129 | C71 | N17 | H130 | 90.0° | 60.0° |
| H129 | C71 | N17 | H131 | 90.0° | 180.0° |
| H129 | C71 | N17 | H132 | 90.0° | 60.0° |
| H130 | N17 | H131 | H132 | 90.0° | 120.1° |
