PRD_002115
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.46Å | 1.44Å | |
| N1 | H1 | sing | 0.98Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.51Å | 1.53Å | |
| C1 | H2 | sing | 1.08Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.23Å | 1.21Å | |
| N2 | C4 | sing | 1.48Å | 1.47Å | |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | C10 | sing | 1.50Å | 1.54Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| N3 | C12 | sing | 1.49Å | 1.48Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C17 | sing | 1.50Å | 1.54Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O3 | doub | 1.22Å | 1.23Å | |
| N4 | C18 | sing | 1.46Å | 1.46Å | |
| N4 | C19 | sing | 1.48Å | 1.49Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C23 | sing | 1.50Å | 1.54Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.22Å | 1.23Å | |
| N5 | C24 | sing | 1.47Å | 1.47Å | |
| N5 | C25 | sing | 1.48Å | 1.49Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.50Å | 1.55Å | |
| C25 | C27 | sing | 1.52Å | 1.61Å | |
| C25 | H46 | sing | 1.10Å | 1.10Å | |
| C26 | O5 | doub | 1.21Å | 1.24Å | |
| C27 | O6 | sing | 1.43Å | 1.41Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| O6 | H48 | sing | 0.97Å | 0.95Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.56Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | H50 | sing | 1.09Å | 1.10Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | doub | 1.31Å | 1.35Å | |
| C31 | H55 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | H56 | sing | 1.08Å | 1.08Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| N6 | C34 | sing | 1.48Å | 1.44Å | |
| N6 | H60 | sing | 0.98Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | O7 | doub | 1.22Å | 1.23Å | |
| C36 | C37 | sing | 1.53Å | 1.48Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| O8 | C41 | doub | 1.22Å | 1.23Å | |
| C41 | C39 | sing | 1.50Å | 1.54Å | |
| C38 | N7 | sing | 1.47Å | 1.48Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | N7 | sing | 1.49Å | 1.49Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C38 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.08Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| C40 | H73 | sing | 1.09Å | 1.10Å | |
| C50 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C49 | sing | 1.43Å | 1.43Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | N9 | sing | 1.47Å | 1.48Å | |
| C54 | C53 | sing | 1.53Å | 1.52Å | |
| C54 | N9 | sing | 1.47Å | 1.47Å | |
| C53 | N10 | sing | 1.47Å | 1.47Å | |
| N9 | C51 | sing | 1.47Å | 1.47Å | |
| N10 | C45 | sing | 1.47Å | 1.47Å | |
| N10 | C52 | sing | 1.47Å | 1.48Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C45 | C44 | sing | 1.53Å | 1.63Å | |
| C46 | O9 | doub | 1.21Å | 1.23Å | |
| C46 | C43 | sing | 1.51Å | 1.57Å | |
| C44 | C43 | sing | 1.53Å | 1.55Å | |
| C44 | C47 | sing | 1.53Å | 1.53Å | |
| C43 | N8 | sing | 1.47Å | 1.48Å | |
| N8 | C42 | sing | 1.47Å | 1.48Å | |
| C42 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C43 | H77 | sing | 1.09Å | 1.10Å | |
| C44 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C47 | H81 | sing | 1.09Å | 1.10Å | |
| C47 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | H84 | sing | 1.09Å | 1.10Å | |
| C48 | H85 | sing | 1.09Å | 1.10Å | |
| C49 | H86 | sing | 1.09Å | 1.10Å | |
| C49 | H87 | sing | 1.09Å | 1.10Å | |
| C50 | H88 | sing | 1.09Å | 1.10Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C51 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H92 | sing | 1.09Å | 1.10Å | |
| C52 | H93 | sing | 1.09Å | 1.10Å | |
| C52 | H94 | sing | 1.09Å | 1.10Å | |
| C53 | H95 | sing | 1.09Å | 1.10Å | |
| C53 | H96 | sing | 1.09Å | 1.10Å | |
| C54 | H97 | sing | 1.09Å | 1.10Å | |
| C54 | H98 | sing | 1.09Å | 1.10Å | |
| N11 | C55 | sing | 1.48Å | 1.47Å | |
| N11 | H99 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.54Å | |
| C55 | C57 | sing | 1.53Å | 1.55Å | |
| C55 | H100 | sing | 1.09Å | 1.10Å | |
| C56 | O11 | doub | 1.22Å | 1.22Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | C59 | sing | 1.53Å | 1.54Å | |
| C57 | H101 | sing | 1.09Å | 1.10Å | |
| C58 | H102 | sing | 1.09Å | 1.10Å | |
| C58 | H103 | sing | 1.09Å | 1.10Å | |
| C58 | H104 | sing | 1.09Å | 1.10Å | |
| C59 | H105 | sing | 1.09Å | 1.10Å | |
| C59 | H106 | sing | 1.09Å | 1.10Å | |
| C59 | H107 | sing | 1.09Å | 1.10Å | |
| N12 | C60 | sing | 1.46Å | 1.47Å | |
| N12 | C61 | sing | 1.48Å | 1.49Å | |
| C60 | H108 | sing | 1.09Å | 1.10Å | |
| C60 | H109 | sing | 1.09Å | 1.10Å | |
| C60 | H110 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.54Å | |
| C61 | C66 | sing | 1.51Å | 1.53Å | |
| C61 | H111 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.53Å | |
| C62 | H112 | sing | 1.09Å | 1.10Å | |
| C62 | H113 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.51Å | |
| C63 | C65 | sing | 1.53Å | 1.51Å | |
| C63 | H114 | sing | 1.09Å | 1.10Å | |
| C64 | H115 | sing | 1.09Å | 1.10Å | |
| C64 | H116 | sing | 1.09Å | 1.10Å | |
| C64 | H117 | sing | 1.09Å | 1.10Å | |
| C65 | H118 | sing | 1.09Å | 1.10Å | |
| C65 | H119 | sing | 1.09Å | 1.10Å | |
| C65 | H120 | sing | 1.09Å | 1.10Å | |
| C66 | O12 | doub | 1.21Å | 1.24Å | |
| N13 | C67 | sing | 1.48Å | 1.45Å | |
| N13 | H121 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.50Å | 1.52Å | |
| C67 | C69 | sing | 1.53Å | 1.52Å | |
| C67 | H122 | sing | 1.09Å | 1.10Å | |
| C68 | O13 | doub | 1.23Å | 1.25Å | |
| C69 | H123 | sing | 1.09Å | 1.10Å | |
| C69 | H124 | sing | 1.09Å | 1.10Å | |
| C69 | H125 | sing | 1.09Å | 1.10Å | |
| N1 | C68 | sing | 1.34Å | 1.33Å | |
| C3 | N2 | sing | 1.36Å | 1.36Å | |
| C10 | N3 | sing | 1.36Å | 1.38Å | |
| C17 | N4 | sing | 1.36Å | 1.37Å | |
| C23 | N5 | sing | 1.35Å | 1.38Å | |
| C26 | N6 | sing | 1.36Å | 1.35Å | |
| C35 | N7 | sing | 1.36Å | 1.37Å | |
| C41 | N8 | sing | 1.36Å | 1.37Å | |
| C46 | N11 | sing | 1.36Å | 1.34Å | |
| C56 | N12 | sing | 1.36Å | 1.37Å | |
| C66 | N13 | sing | 1.36Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.0° | 117.5° |
| N1 | C1 | C2 | 110.4° | 108.5° |
| N1 | C1 | C3 | 111.8° | 108.4° |
| N1 | C1 | H2 | 109.5° | 110.6° |
| C1 | N1 | C68 | 122.0° | 124.4° |
| H1 | N1 | C68 | 119.0° | 118.1° |
| C2 | C1 | C3 | 108.2° | 108.1° |
| C2 | C1 | H2 | 108.5° | 110.2° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.4° |
| C3 | C1 | H2 | 108.3° | 110.9° |
| C1 | C3 | O1 | 117.5° | 118.2° |
| C1 | C3 | N2 | 119.8° | 123.6° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H3 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| O1 | C3 | N2 | 122.7° | 118.1° |
| C4 | N2 | C5 | 115.6° | 120.5° |
| N2 | C4 | H6 | 109.5° | 109.5° |
| N2 | C4 | H7 | 109.4° | 109.4° |
| N2 | C4 | H8 | 109.5° | 109.5° |
| C4 | N2 | C3 | 123.3° | 119.1° |
| N2 | C5 | C6 | 109.7° | 108.0° |
| N2 | C5 | C10 | 107.0° | 110.1° |
| N2 | C5 | H9 | 107.5° | 110.2° |
| C5 | N2 | C3 | 121.0° | 120.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| C6 | C5 | C10 | 118.6° | 108.7° |
| C6 | C5 | H9 | 106.7° | 108.5° |
| C5 | C6 | C7 | 116.5° | 109.5° |
| C5 | C6 | H10 | 107.7° | 109.5° |
| C5 | C6 | H11 | 107.7° | 109.5° |
| C10 | C5 | H9 | 106.7° | 111.2° |
| C5 | C10 | O2 | 116.2° | 119.4° |
| C5 | C10 | N3 | 120.1° | 121.8° |
| C7 | C6 | H10 | 107.7° | 109.5° |
| C7 | C6 | H11 | 107.7° | 109.5° |
| C6 | C7 | C8 | 114.0° | 109.5° |
| C6 | C7 | C9 | 112.2° | 109.4° |
| C6 | C7 | H12 | 106.7° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| C8 | C7 | C9 | 110.3° | 109.5° |
| C8 | C7 | H12 | 106.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.4° | 109.5° |
| C9 | C7 | H12 | 106.8° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| C7 | C9 | H17 | 109.5° | 109.4° |
| C7 | C9 | H18 | 109.4° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| O2 | C10 | N3 | 123.6° | 118.8° |
| C11 | N3 | C12 | 114.4° | 120.2° |
| N3 | C11 | H19 | 109.5° | 109.5° |
| N3 | C11 | H20 | 109.4° | 109.5° |
| N3 | C11 | H21 | 109.5° | 109.5° |
| C11 | N3 | C10 | 127.3° | 124.4° |
| N3 | C12 | C13 | 113.1° | 108.0° |
| N3 | C12 | C17 | 111.9° | 109.1° |
| N3 | C12 | H22 | 107.1° | 109.3° |
| C12 | N3 | C10 | 118.3° | 115.5° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H19 | C11 | H21 | 109.4° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| C13 | C12 | C17 | 111.4° | 109.6° |
| C13 | C12 | H22 | 106.4° | 110.2° |
| C12 | C13 | C14 | 116.4° | 109.5° |
| C12 | C13 | H23 | 107.7° | 109.5° |
| C12 | C13 | H24 | 107.7° | 109.5° |
| C17 | C12 | H22 | 106.4° | 110.6° |
| C12 | C17 | O3 | 118.3° | 119.6° |
| C12 | C17 | N4 | 120.4° | 121.4° |
| C14 | C13 | H23 | 107.7° | 109.4° |
| C14 | C13 | H24 | 107.7° | 109.5° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C13 | C14 | C16 | 111.2° | 109.4° |
| C13 | C14 | H25 | 107.9° | 109.5° |
| H23 | C13 | H24 | 109.4° | 109.4° |
| C15 | C14 | C16 | 110.4° | 109.5° |
| C15 | C14 | H25 | 107.9° | 109.5° |
| C14 | C15 | H26 | 109.5° | 109.5° |
| C14 | C15 | H27 | 109.5° | 109.5° |
| C14 | C15 | H28 | 109.5° | 109.5° |
| C16 | C14 | H25 | 108.1° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.5° |
| C14 | C16 | H30 | 109.5° | 109.5° |
| C14 | C16 | H31 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| H26 | C15 | H28 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H29 | C16 | H31 | 109.4° | 109.4° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| O3 | C17 | N4 | 121.3° | 118.9° |
| C18 | N4 | C19 | 114.9° | 119.7° |
| N4 | C18 | H32 | 109.5° | 109.5° |
| N4 | C18 | H33 | 109.5° | 109.5° |
| N4 | C18 | H34 | 109.5° | 109.5° |
| C18 | N4 | C17 | 124.7° | 123.1° |
| N4 | C19 | C20 | 114.7° | 108.2° |
| N4 | C19 | C23 | 106.6° | 109.3° |
| N4 | C19 | H35 | 106.8° | 109.0° |
| C19 | N4 | C17 | 120.4° | 117.1° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H34 | 109.4° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.4° |
| C20 | C19 | C23 | 115.5° | 110.3° |
| C20 | C19 | H35 | 106.3° | 109.3° |
| C19 | C20 | C21 | 107.9° | 109.5° |
| C19 | C20 | C22 | 109.6° | 109.5° |
| C19 | C20 | H36 | 108.8° | 109.5° |
| C23 | C19 | H35 | 106.2° | 110.7° |
| C19 | C23 | O4 | 116.9° | 118.4° |
| C19 | C23 | N5 | 119.9° | 121.2° |
| C21 | C20 | C22 | 112.6° | 109.5° |
| C21 | C20 | H36 | 109.0° | 109.5° |
| C20 | C21 | H37 | 109.5° | 109.5° |
| C20 | C21 | H38 | 109.5° | 109.5° |
| C20 | C21 | H39 | 109.5° | 109.5° |
| C22 | C20 | H36 | 109.0° | 109.4° |
| C20 | C22 | H40 | 109.5° | 109.5° |
| C20 | C22 | H41 | 109.5° | 109.5° |
| C20 | C22 | H42 | 109.4° | 109.4° |
| H37 | C21 | H38 | 109.4° | 109.4° |
| H37 | C21 | H39 | 109.4° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H40 | C22 | H41 | 109.5° | 109.5° |
| H40 | C22 | H42 | 109.5° | 109.4° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| O4 | C23 | N5 | 123.2° | 120.3° |
| C24 | N5 | C25 | 118.3° | 119.7° |
| N5 | C24 | H43 | 109.5° | 109.5° |
| N5 | C24 | H44 | 109.5° | 109.5° |
| N5 | C24 | H45 | 109.4° | 109.4° |
| C24 | N5 | C23 | 126.3° | 122.7° |
| N5 | C25 | C26 | 114.5° | 110.7° |
| N5 | C25 | C27 | 115.5° | 111.5° |
| N5 | C25 | H46 | 105.9° | 107.2° |
| C25 | N5 | C23 | 115.4° | 117.5° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| H43 | C24 | H45 | 109.5° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| C26 | C25 | C27 | 109.9° | 111.3° |
| C26 | C25 | H46 | 105.2° | 107.9° |
| C25 | C26 | O5 | 121.7° | 121.1° |
| C25 | C26 | N6 | 113.1° | 118.7° |
| C27 | C25 | H46 | 104.6° | 108.0° |
| C25 | C27 | O6 | 107.5° | 109.5° |
| C25 | C27 | C28 | 114.9° | 109.5° |
| C25 | C27 | H47 | 106.1° | 109.4° |
| O5 | C26 | N6 | 124.8° | 120.3° |
| O6 | C27 | C28 | 112.9° | 109.5° |
| O6 | C27 | H47 | 108.5° | 109.4° |
| C27 | O6 | H48 | 109.5° | 113.9° |
| C28 | C27 | H47 | 106.7° | 109.5° |
| C27 | C28 | C29 | 111.7° | 109.4° |
| C27 | C28 | C30 | 114.6° | 109.5° |
| C27 | C28 | H49 | 106.7° | 109.5° |
| C29 | C28 | C30 | 109.8° | 109.5° |
| C29 | C28 | H49 | 107.0° | 109.5° |
| C28 | C29 | H50 | 109.5° | 109.5° |
| C28 | C29 | H51 | 109.5° | 109.4° |
| C28 | C29 | H52 | 109.4° | 109.5° |
| C30 | C28 | H49 | 106.6° | 109.5° |
| C28 | C30 | C31 | 117.0° | 109.4° |
| C28 | C30 | H53 | 107.5° | 109.5° |
| C28 | C30 | H54 | 107.6° | 109.5° |
| H50 | C29 | H51 | 109.5° | 109.4° |
| H50 | C29 | H52 | 109.5° | 109.5° |
| H51 | C29 | H52 | 109.5° | 109.5° |
| C31 | C30 | H53 | 107.6° | 109.5° |
| C31 | C30 | H54 | 107.5° | 109.4° |
| C30 | C31 | C32 | 116.7° | 120.0° |
| C30 | C31 | H55 | 121.7° | 120.0° |
| H53 | C30 | H54 | 109.5° | 109.5° |
| C32 | C31 | H55 | 121.6° | 120.0° |
| C31 | C32 | C33 | 112.6° | 120.0° |
| C31 | C32 | H56 | 123.7° | 120.0° |
| C33 | C32 | H56 | 123.7° | 120.1° |
| C32 | C33 | H57 | 109.5° | 109.4° |
| C32 | C33 | H58 | 109.5° | 109.5° |
| C32 | C33 | H59 | 109.5° | 109.4° |
| H57 | C33 | H58 | 109.5° | 109.5° |
| H57 | C33 | H59 | 109.4° | 109.5° |
| H58 | C33 | H59 | 109.5° | 109.5° |
| C34 | N6 | H60 | 117.4° | 120.1° |
| N6 | C34 | C35 | 105.7° | 109.9° |
| N6 | C34 | C36 | 108.8° | 108.1° |
| N6 | C34 | H61 | 110.6° | 109.4° |
| C34 | N6 | C26 | 125.2° | 118.6° |
| H60 | N6 | C26 | 117.4° | 121.3° |
| C35 | C34 | C36 | 112.7° | 110.1° |
| C35 | C34 | H61 | 109.5° | 110.4° |
| C34 | C35 | O7 | 116.6° | 119.0° |
| C34 | C35 | N7 | 119.5° | 121.5° |
| C36 | C34 | H61 | 109.4° | 108.9° |
| C34 | C36 | C37 | 113.7° | 109.5° |
| C34 | C36 | H62 | 108.4° | 109.5° |
| C34 | C36 | H63 | 108.4° | 109.5° |
| O7 | C35 | N7 | 123.9° | 119.4° |
| C37 | C36 | H62 | 108.4° | 109.5° |
| C37 | C36 | H63 | 108.4° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.4° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H64 | C37 | H66 | 109.5° | 109.4° |
| H65 | C37 | H66 | 109.4° | 109.5° |
| O8 | C41 | C39 | 117.7° | 119.2° |
| O8 | C41 | N8 | 123.1° | 118.4° |
| C41 | C39 | C40 | 114.0° | 108.2° |
| C41 | C39 | N7 | 112.5° | 108.3° |
| C41 | C39 | H70 | 106.2° | 111.7° |
| C39 | C41 | N8 | 119.0° | 122.4° |
| C38 | N7 | C39 | 116.7° | 120.2° |
| N7 | C38 | H67 | 109.5° | 109.5° |
| N7 | C38 | H68 | 109.5° | 109.5° |
| N7 | C38 | H69 | 109.5° | 109.5° |
| C38 | N7 | C35 | 123.1° | 123.0° |
| C40 | C39 | N7 | 110.5° | 109.7° |
| C40 | C39 | H70 | 106.4° | 109.5° |
| C39 | C40 | H71 | 109.5° | 109.4° |
| C39 | C40 | H72 | 109.4° | 109.4° |
| C39 | C40 | H73 | 109.5° | 109.4° |
| N7 | C39 | H70 | 106.7° | 109.3° |
| C39 | N7 | C35 | 120.2° | 116.8° |
| H67 | C38 | H68 | 109.5° | 109.4° |
| H67 | C38 | H69 | 109.5° | 109.5° |
| H68 | C38 | H69 | 109.5° | 109.4° |
| H71 | C40 | H72 | 109.5° | 109.6° |
| H71 | C40 | H73 | 109.5° | 109.5° |
| H72 | C40 | H73 | 109.5° | 109.5° |
| C50 | O10 | C49 | 114.1° | 114.0° |
| O10 | C50 | H88 | 109.5° | 109.5° |
| O10 | C50 | H89 | 109.5° | 109.5° |
| O10 | C50 | H90 | 109.5° | 109.5° |
| O10 | C49 | C48 | 110.4° | 109.5° |
| O10 | C49 | H86 | 109.2° | 109.5° |
| O10 | C49 | H87 | 109.3° | 109.5° |
| C49 | C48 | N9 | 115.0° | 109.5° |
| C49 | C48 | H84 | 108.1° | 109.4° |
| C49 | C48 | H85 | 108.1° | 109.5° |
| C48 | C49 | H86 | 109.2° | 109.4° |
| C48 | C49 | H87 | 109.2° | 109.4° |
| C48 | N9 | C54 | 111.5° | 111.0° |
| C48 | N9 | C51 | 113.9° | 111.0° |
| N9 | C48 | H84 | 108.1° | 109.4° |
| N9 | C48 | H85 | 108.1° | 109.5° |
| C53 | C54 | N9 | 110.4° | 109.3° |
| C54 | C53 | N10 | 109.4° | 109.4° |
| C54 | C53 | H95 | 109.5° | 109.5° |
| C54 | C53 | H96 | 109.5° | 109.5° |
| C53 | C54 | H97 | 109.3° | 109.5° |
| C53 | C54 | H98 | 109.2° | 109.5° |
| C54 | N9 | C51 | 110.0° | 110.9° |
| N9 | C54 | H97 | 109.2° | 109.5° |
| N9 | C54 | H98 | 109.2° | 109.5° |
| C53 | N10 | C45 | 113.8° | 111.0° |
| C53 | N10 | C52 | 109.6° | 110.8° |
| N10 | C53 | H95 | 109.5° | 109.6° |
| N10 | C53 | H96 | 109.5° | 109.4° |
| N9 | C51 | C52 | 110.8° | 109.3° |
| N9 | C51 | H91 | 109.1° | 109.5° |
| N9 | C51 | H92 | 109.1° | 109.5° |
| C45 | N10 | C52 | 112.4° | 111.0° |
| N10 | C45 | C44 | 115.6° | 109.5° |
| N10 | C45 | H79 | 107.9° | 109.4° |
| N10 | C45 | H80 | 107.9° | 109.5° |
| N10 | C52 | C51 | 110.2° | 109.4° |
| N10 | C52 | H93 | 109.3° | 109.6° |
| N10 | C52 | H94 | 109.3° | 109.5° |
| C52 | C51 | H91 | 109.1° | 109.5° |
| C52 | C51 | H92 | 109.1° | 109.5° |
| C51 | C52 | H93 | 109.3° | 109.5° |
| C51 | C52 | H94 | 109.3° | 109.5° |
| C45 | C44 | C43 | 115.4° | 109.5° |
| C45 | C44 | C47 | 102.8° | 109.5° |
| C45 | C44 | H78 | 108.8° | 109.5° |
| C44 | C45 | H79 | 107.9° | 109.5° |
| C44 | C45 | H80 | 107.9° | 109.5° |
| O9 | C46 | C43 | 121.0° | 120.8° |
| O9 | C46 | N11 | 122.1° | 121.2° |
| C46 | C43 | C44 | 120.3° | 108.9° |
| C46 | C43 | N8 | 104.9° | 109.1° |
| C46 | C43 | H77 | 105.6° | 109.6° |
| C43 | C46 | N11 | 116.9° | 118.0° |
| C43 | C44 | C47 | 109.9° | 109.5° |
| C44 | C43 | N8 | 112.7° | 109.3° |
| C44 | C43 | H77 | 105.8° | 108.8° |
| C43 | C44 | H78 | 109.8° | 109.5° |
| C47 | C44 | H78 | 110.0° | 109.4° |
| C44 | C47 | H81 | 109.5° | 109.5° |
| C44 | C47 | H82 | 109.4° | 109.5° |
| C44 | C47 | H83 | 109.5° | 109.5° |
| C43 | N8 | C42 | 116.6° | 120.4° |
| N8 | C43 | H77 | 106.5° | 111.2° |
| C43 | N8 | C41 | 117.9° | 119.4° |
| N8 | C42 | H74 | 109.5° | 109.4° |
| N8 | C42 | H75 | 109.5° | 109.4° |
| N8 | C42 | H76 | 109.4° | 109.5° |
| C42 | N8 | C41 | 125.5° | 120.2° |
| H74 | C42 | H75 | 109.5° | 109.4° |
| H74 | C42 | H76 | 109.5° | 109.5° |
| H75 | C42 | H76 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.5° |
| H81 | C47 | H82 | 109.4° | 109.5° |
| H81 | C47 | H83 | 109.5° | 109.5° |
| H82 | C47 | H83 | 109.5° | 109.4° |
| H84 | C48 | H85 | 109.5° | 109.5° |
| H86 | C49 | H87 | 109.5° | 109.5° |
| H88 | C50 | H89 | 109.4° | 109.5° |
| H88 | C50 | H90 | 109.5° | 109.4° |
| H89 | C50 | H90 | 109.5° | 109.4° |
| H91 | C51 | H92 | 109.5° | 109.5° |
| H93 | C52 | H94 | 109.5° | 109.5° |
| H95 | C53 | H96 | 109.5° | 109.4° |
| H97 | C54 | H98 | 109.4° | 109.5° |
| C55 | N11 | H99 | 118.6° | 121.1° |
| N11 | C55 | C56 | 108.3° | 108.0° |
| N11 | C55 | C57 | 114.3° | 108.8° |
| N11 | C55 | H100 | 107.0° | 108.9° |
| C55 | N11 | C46 | 122.8° | 116.6° |
| H99 | N11 | C46 | 118.6° | 122.2° |
| C56 | C55 | C57 | 114.4° | 109.7° |
| C56 | C55 | H100 | 106.2° | 111.0° |
| C55 | C56 | O11 | 116.1° | 118.9° |
| C55 | C56 | N12 | 121.4° | 121.8° |
| C57 | C55 | H100 | 106.1° | 110.5° |
| C55 | C57 | C58 | 113.3° | 109.5° |
| C55 | C57 | C59 | 110.2° | 109.5° |
| C55 | C57 | H101 | 108.1° | 109.5° |
| O11 | C56 | N12 | 122.4° | 119.3° |
| C58 | C57 | C59 | 108.3° | 109.5° |
| C58 | C57 | H101 | 108.4° | 109.5° |
| C57 | C58 | H102 | 109.5° | 109.5° |
| C57 | C58 | H103 | 109.5° | 109.5° |
| C57 | C58 | H104 | 109.5° | 109.5° |
| C59 | C57 | H101 | 108.4° | 109.5° |
| C57 | C59 | H105 | 109.5° | 109.5° |
| C57 | C59 | H106 | 109.4° | 109.5° |
| C57 | C59 | H107 | 109.4° | 109.5° |
| H102 | C58 | H103 | 109.5° | 109.4° |
| H102 | C58 | H104 | 109.4° | 109.5° |
| H103 | C58 | H104 | 109.5° | 109.4° |
| H105 | C59 | H106 | 109.5° | 109.5° |
| H105 | C59 | H107 | 109.5° | 109.4° |
| H106 | C59 | H107 | 109.5° | 109.5° |
| C60 | N12 | C61 | 114.3° | 120.1° |
| N12 | C60 | H108 | 109.5° | 109.5° |
| N12 | C60 | H109 | 109.5° | 109.5° |
| N12 | C60 | H110 | 109.5° | 109.5° |
| C60 | N12 | C56 | 124.8° | 123.3° |
| N12 | C61 | C62 | 114.7° | 109.5° |
| N12 | C61 | C66 | 110.1° | 109.3° |
| N12 | C61 | H111 | 107.0° | 109.3° |
| C61 | N12 | C56 | 120.8° | 116.6° |
| H108 | C60 | H109 | 109.4° | 109.4° |
| H108 | C60 | H110 | 109.4° | 109.4° |
| H109 | C60 | H110 | 109.5° | 109.5° |
| C62 | C61 | C66 | 111.8° | 109.9° |
| C62 | C61 | H111 | 106.3° | 109.2° |
| C61 | C62 | C63 | 118.4° | 109.4° |
| C61 | C62 | H112 | 107.2° | 109.5° |
| C61 | C62 | H113 | 107.2° | 109.6° |
| C66 | C61 | H111 | 106.5° | 109.7° |
| C61 | C66 | O12 | 123.2° | 119.9° |
| C61 | C66 | N13 | 114.5° | 119.0° |
| C63 | C62 | H112 | 107.2° | 109.4° |
| C63 | C62 | H113 | 107.2° | 109.5° |
| C62 | C63 | C64 | 108.9° | 109.5° |
| C62 | C63 | C65 | 112.2° | 109.5° |
| C62 | C63 | H114 | 108.2° | 109.5° |
| H112 | C62 | H113 | 109.5° | 109.5° |
| C64 | C63 | C65 | 110.6° | 109.4° |
| C64 | C63 | H114 | 108.4° | 109.5° |
| C63 | C64 | H115 | 109.5° | 109.5° |
| C63 | C64 | H116 | 109.5° | 109.5° |
| C63 | C64 | H117 | 109.4° | 109.4° |
| C65 | C63 | H114 | 108.3° | 109.5° |
| C63 | C65 | H118 | 109.5° | 109.5° |
| C63 | C65 | H119 | 109.4° | 109.5° |
| C63 | C65 | H120 | 109.5° | 109.4° |
| H115 | C64 | H116 | 109.5° | 109.5° |
| H115 | C64 | H117 | 109.4° | 109.5° |
| H116 | C64 | H117 | 109.5° | 109.5° |
| H118 | C65 | H119 | 109.5° | 109.5° |
| H118 | C65 | H120 | 109.5° | 109.5° |
| H119 | C65 | H120 | 109.5° | 109.4° |
| O12 | C66 | N13 | 122.4° | 121.1° |
| C67 | N13 | H121 | 119.8° | 121.1° |
| N13 | C67 | C68 | 108.2° | 108.7° |
| N13 | C67 | C69 | 111.2° | 108.6° |
| N13 | C67 | H122 | 109.8° | 109.6° |
| C67 | N13 | C66 | 120.5° | 117.1° |
| H121 | N13 | C66 | 119.7° | 121.8° |
| C68 | C67 | C69 | 109.9° | 110.3° |
| C68 | C67 | H122 | 108.9° | 110.3° |
| C67 | C68 | O13 | 121.9° | 118.2° |
| C67 | C68 | N1 | 112.8° | 123.8° |
| C69 | C67 | H122 | 108.8° | 109.3° |
| C67 | C69 | H123 | 109.5° | 109.5° |
| C67 | C69 | H124 | 109.5° | 109.4° |
| C67 | C69 | H125 | 109.5° | 109.5° |
| O13 | C68 | N1 | 125.3° | 118.0° |
| H123 | C69 | H124 | 109.5° | 109.5° |
| H123 | C69 | H125 | 109.5° | 109.5° |
| H124 | C69 | H125 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C68 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 122.7° | 117.4° |
| N1 | C1 | C2 | H2 | 120.0° | 121.3° |
| N1 | C1 | C3 | H2 | 120.8° | 121.6° |
| N1 | C1 | C2 | H3 | 180.0° | 59.9° |
| N1 | C1 | C2 | H4 | 60.0° | 180.0° |
| N1 | C1 | C2 | H5 | 60.0° | 60.0° |
| N1 | C1 | C3 | O1 | 43.9° | 45.5° |
| C1 | N1 | C68 | C67 | 176.6° | 0.3° |
| C1 | N1 | C68 | O13 | 4.0° | 179.7° |
| N1 | C1 | C3 | N2 | 137.9° | 134.2° |
| H1 | N1 | C1 | C2 | 32.6° | 101.8° |
| H1 | N1 | C1 | C3 | 87.9° | 15.4° |
| H1 | N1 | C1 | H2 | 152.0° | 137.2° |
| H1 | N1 | C68 | C67 | 3.4° | 180.0° |
| H1 | N1 | C68 | O13 | 176.1° | 0.0° |
| C2 | C1 | C3 | H2 | 117.4° | 120.9° |
| C1 | C2 | H3 | H4 | 120.0° | 120.1° |
| C1 | C2 | H3 | H5 | 120.0° | 119.9° |
| C1 | C2 | H4 | H5 | 120.0° | 119.9° |
| C2 | C1 | C3 | O1 | 77.9° | 71.9° |
| C2 | C1 | N1 | C68 | 147.3° | 77.9° |
| C2 | C1 | C3 | N2 | 100.3° | 108.4° |
| C3 | C1 | C2 | H3 | 57.3° | 177.3° |
| C3 | C1 | C2 | H4 | 62.7° | 62.7° |
| C3 | C1 | C2 | H5 | 177.3° | 57.3° |
| C1 | C3 | O1 | N2 | 178.2° | 179.7° |
| C1 | C3 | N2 | C4 | 1.6° | 178.5° |
| C1 | C3 | N2 | C5 | 175.4° | 1.0° |
| C3 | C1 | N1 | C68 | 92.1° | 164.9° |
| H2 | C1 | C2 | H3 | 60.0° | 61.3° |
| H2 | C1 | C2 | H4 | 180.0° | 58.7° |
| H2 | C1 | C2 | H5 | 60.0° | 178.7° |
| H2 | C1 | C3 | O1 | 164.7° | 167.1° |
| H2 | C1 | N1 | C68 | 28.0° | 43.1° |
| H2 | C1 | C3 | N2 | 17.1° | 12.6° |
| H3 | C2 | H4 | H5 | 120.0° | 120.0° |
| O1 | C3 | N2 | C4 | 179.7° | 1.3° |
| O1 | C3 | N2 | C5 | 2.7° | 179.3° |
| C4 | N2 | C5 | C3 | 177.2° | 179.5° |
| N2 | C4 | H6 | H7 | 120.0° | 120.0° |
| N2 | C4 | H6 | H8 | 120.0° | 120.0° |
| N2 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | N2 | C5 | C6 | 70.4° | 57.2° |
| C4 | N2 | C5 | C10 | 59.5° | 61.4° |
| C4 | N2 | C5 | H9 | 173.9° | 175.5° |
| C5 | N2 | C4 | H6 | 180.0° | 179.5° |
| C5 | N2 | C4 | H7 | 60.0° | 60.5° |
| C5 | N2 | C4 | H8 | 60.0° | 59.5° |
| N2 | C5 | C6 | C10 | 123.4° | 119.5° |
| N2 | C5 | C6 | H9 | 116.2° | 119.4° |
| N2 | C5 | C10 | H9 | 114.9° | 122.5° |
| N2 | C5 | C6 | C7 | 54.9° | 57.1° |
| N2 | C5 | C6 | H10 | 66.1° | 62.9° |
| N2 | C5 | C6 | H11 | 175.9° | 177.1° |
| N2 | C5 | C10 | O2 | 114.3° | 63.5° |
| N2 | C5 | C10 | N3 | 65.5° | 117.5° |
| H6 | C4 | H7 | H8 | 120.0° | 120.0° |
| H6 | C4 | N2 | C3 | 2.8° | 0.0° |
| H7 | C4 | N2 | C3 | 122.9° | 120.0° |
| H8 | C4 | N2 | C3 | 117.1° | 120.0° |
| C6 | C5 | C10 | H9 | 120.4° | 119.4° |
| C5 | C6 | C7 | H10 | 121.0° | 120.0° |
| C5 | C6 | C7 | H11 | 121.0° | 120.0° |
| C5 | C6 | H10 | H11 | 116.8° | 120.0° |
| C5 | C6 | C7 | C8 | 169.2° | 176.4° |
| C5 | C6 | C7 | C9 | 64.6° | 63.6° |
| C5 | C6 | C7 | H12 | 52.0° | 56.4° |
| C6 | C5 | C10 | O2 | 10.4° | 54.6° |
| C6 | C5 | N2 | C3 | 106.8° | 122.3° |
| C6 | C5 | C10 | N3 | 169.8° | 124.4° |
| C10 | C5 | C6 | C7 | 178.2° | 176.6° |
| C10 | C5 | C6 | H10 | 57.3° | 56.5° |
| C10 | C5 | C6 | H11 | 60.7° | 63.4° |
| C5 | C10 | O2 | N3 | 179.8° | 179.0° |
| C5 | C10 | N3 | C11 | 0.9° | 5.8° |
| C5 | C10 | N3 | C12 | 179.8° | 173.0° |
| C10 | C5 | N2 | C3 | 123.2° | 119.2° |
| H9 | C5 | C6 | C7 | 61.3° | 62.3° |
| H9 | C5 | C6 | H10 | 177.7° | 177.6° |
| H9 | C5 | C6 | H11 | 59.7° | 57.7° |
| H9 | C5 | C10 | O2 | 130.8° | 174.0° |
| H9 | C5 | N2 | C3 | 8.9° | 3.9° |
| H9 | C5 | C10 | N3 | 49.4° | 4.9° |
| C7 | C6 | H10 | H11 | 116.9° | 120.0° |
| C6 | C7 | C8 | C9 | 127.2° | 120.0° |
| C6 | C7 | C8 | H12 | 117.3° | 120.0° |
| C6 | C7 | C9 | H12 | 116.5° | 119.9° |
| C6 | C7 | C8 | H13 | 180.0° | 60.0° |
| C6 | C7 | C8 | H14 | 60.0° | 180.0° |
| C6 | C7 | C8 | H15 | 60.0° | 60.0° |
| C6 | C7 | C9 | H16 | 180.0° | 55.8° |
| C6 | C7 | C9 | H17 | 60.0° | 64.2° |
| C6 | C7 | C9 | H18 | 60.0° | 175.8° |
| H10 | C6 | C7 | C8 | 48.2° | 56.4° |
| H10 | C6 | C7 | C9 | 174.5° | 176.3° |
| H10 | C6 | C7 | H12 | 69.0° | 63.7° |
| H11 | C6 | C7 | C8 | 69.8° | 63.6° |
| H11 | C6 | C7 | C9 | 56.4° | 56.4° |
| H11 | C6 | C7 | H12 | 173.0° | 176.4° |
| C8 | C7 | C9 | H12 | 115.3° | 120.1° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| C8 | C7 | C9 | H16 | 51.8° | 64.2° |
| C8 | C7 | C9 | H17 | 68.2° | 175.8° |
| C8 | C7 | C9 | H18 | 171.8° | 55.9° |
| C9 | C7 | C8 | H13 | 52.8° | 60.0° |
| C9 | C7 | C8 | H14 | 172.8° | 60.1° |
| C9 | C7 | C8 | H15 | 67.2° | 180.0° |
| C7 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C9 | H16 | H18 | 120.0° | 120.0° |
| C7 | C9 | H17 | H18 | 120.0° | 119.9° |
| H12 | C7 | C8 | H13 | 62.7° | 179.9° |
| H12 | C7 | C8 | H14 | 57.3° | 60.0° |
| H12 | C7 | C8 | H15 | 177.3° | 60.0° |
| H12 | C7 | C9 | H16 | 63.5° | 175.7° |
| H12 | C7 | C9 | H17 | 176.5° | 55.7° |
| H12 | C7 | C9 | H18 | 56.5° | 64.2° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.1° |
| O2 | C10 | N3 | C11 | 178.9° | 173.1° |
| O2 | C10 | N3 | C12 | 0.0° | 8.1° |
| C11 | N3 | C12 | C10 | 179.1° | 178.9° |
| N3 | C11 | H19 | H20 | 120.0° | 120.0° |
| N3 | C11 | H19 | H21 | 120.0° | 120.0° |
| N3 | C11 | H20 | H21 | 120.0° | 120.1° |
| C11 | N3 | C12 | C13 | 57.0° | 43.5° |
| C11 | N3 | C12 | C17 | 69.8° | 75.5° |
| C11 | N3 | C12 | H22 | 173.9° | 163.5° |
| C12 | N3 | C11 | H19 | 180.0° | 178.8° |
| C12 | N3 | C11 | H20 | 60.0° | 61.2° |
| C12 | N3 | C11 | H21 | 60.0° | 58.8° |
| N3 | C12 | C13 | C17 | 127.1° | 118.7° |
| N3 | C12 | C13 | H22 | 117.3° | 119.4° |
| N3 | C12 | C17 | H22 | 116.8° | 120.3° |
| N3 | C12 | C13 | C14 | 56.1° | 65.0° |
| N3 | C12 | C13 | H23 | 65.0° | 55.0° |
| N3 | C12 | C13 | H24 | 177.1° | 175.0° |
| N3 | C12 | C17 | O3 | 17.0° | 2.8° |
| N3 | C12 | C17 | N4 | 163.6° | 175.8° |
| H19 | C11 | H20 | H21 | 120.0° | 119.9° |
| H19 | C11 | N3 | C10 | 1.0° | 0.0° |
| H20 | C11 | N3 | C10 | 121.1° | 120.0° |
| H21 | C11 | N3 | C10 | 118.9° | 119.9° |
| C13 | C12 | C17 | H22 | 115.5° | 121.7° |
| C12 | C13 | C14 | H23 | 121.0° | 120.0° |
| C12 | C13 | C14 | H24 | 121.0° | 120.1° |
| C12 | C13 | H23 | H24 | 116.8° | 120.0° |
| C12 | C13 | C14 | C15 | 171.6° | 175.0° |
| C12 | C13 | C14 | C16 | 64.9° | 65.0° |
| C12 | C13 | C14 | H25 | 53.5° | 55.0° |
| C13 | C12 | C17 | O3 | 110.7° | 115.2° |
| C13 | C12 | N3 | C10 | 122.1° | 135.3° |
| C13 | C12 | C17 | N4 | 68.7° | 66.1° |
| C17 | C12 | C13 | C14 | 176.8° | 176.3° |
| C17 | C12 | C13 | H23 | 62.1° | 63.7° |
| C17 | C12 | C13 | H24 | 55.8° | 56.3° |
| C12 | C17 | O3 | N4 | 179.4° | 178.7° |
| C12 | C17 | N4 | C18 | 2.2° | 16.7° |
| C12 | C17 | N4 | C19 | 178.1° | 162.6° |
| C17 | C12 | N3 | C10 | 111.1° | 105.7° |
| H22 | C12 | C13 | C14 | 61.3° | 54.4° |
| H22 | C12 | C13 | H23 | 177.7° | 174.4° |
| H22 | C12 | C13 | H24 | 59.8° | 65.6° |
| H22 | C12 | C17 | O3 | 133.8° | 123.1° |
| H22 | C12 | N3 | C10 | 5.2° | 15.4° |
| H22 | C12 | C17 | N4 | 46.9° | 55.5° |
| C14 | C13 | H23 | H24 | 116.8° | 120.0° |
| C13 | C14 | C15 | C16 | 123.9° | 120.0° |
| C13 | C14 | C15 | H25 | 118.2° | 120.0° |
| C13 | C14 | C16 | H25 | 118.3° | 120.0° |
| C13 | C14 | C15 | H26 | 180.0° | 60.0° |
| C13 | C14 | C15 | H27 | 60.0° | 180.0° |
| C13 | C14 | C15 | H28 | 60.0° | 60.0° |
| C13 | C14 | C16 | H29 | 180.0° | 60.1° |
| C13 | C14 | C16 | H30 | 60.0° | 60.0° |
| C13 | C14 | C16 | H31 | 60.0° | 180.0° |
| H23 | C13 | C14 | C15 | 50.6° | 55.0° |
| H23 | C13 | C14 | C16 | 174.1° | 175.0° |
| H23 | C13 | C14 | H25 | 67.5° | 65.0° |
| H24 | C13 | C14 | C15 | 67.4° | 64.9° |
| H24 | C13 | C14 | C16 | 56.1° | 55.1° |
| H24 | C13 | C14 | H25 | 174.5° | 175.0° |
| C15 | C14 | C16 | H25 | 117.8° | 120.0° |
| C14 | C15 | H26 | H27 | 120.0° | 120.0° |
| C14 | C15 | H26 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H28 | 120.0° | 120.0° |
| C15 | C14 | C16 | H29 | 56.1° | 59.9° |
| C15 | C14 | C16 | H30 | 64.0° | 180.0° |
| C15 | C14 | C16 | H31 | 176.0° | 60.0° |
| C16 | C14 | C15 | H26 | 56.1° | 60.0° |
| C16 | C14 | C15 | H27 | 176.1° | 60.0° |
| C16 | C14 | C15 | H28 | 64.0° | 180.0° |
| C14 | C16 | H29 | H30 | 120.0° | 120.1° |
| C14 | C16 | H29 | H31 | 120.0° | 120.0° |
| C14 | C16 | H30 | H31 | 120.0° | 120.0° |
| H25 | C14 | C15 | H26 | 61.8° | 180.0° |
| H25 | C14 | C15 | H27 | 58.2° | 60.0° |
| H25 | C14 | C15 | H28 | 178.1° | 60.0° |
| H25 | C14 | C16 | H29 | 61.7° | 179.9° |
| H25 | C14 | C16 | H30 | 178.3° | 60.0° |
| H25 | C14 | C16 | H31 | 58.2° | 60.0° |
| H26 | C15 | H27 | H28 | 120.0° | 120.1° |
| H29 | C16 | H30 | H31 | 120.0° | 120.0° |
| O3 | C17 | N4 | C18 | 178.5° | 162.0° |
| O3 | C17 | N4 | C19 | 1.2° | 18.8° |
| C18 | N4 | C19 | C17 | 179.8° | 179.3° |
| N4 | C18 | H32 | H33 | 120.0° | 120.0° |
| N4 | C18 | H32 | H34 | 120.0° | 120.0° |
| N4 | C18 | H33 | H34 | 120.0° | 120.0° |
| C18 | N4 | C19 | C20 | 68.3° | 3.2° |
| C18 | N4 | C19 | C23 | 60.8° | 116.9° |
| C18 | N4 | C19 | H35 | 174.1° | 122.0° |
| C19 | N4 | C18 | H32 | 180.0° | 159.8° |
| C19 | N4 | C18 | H33 | 60.0° | 39.8° |
| C19 | N4 | C18 | H34 | 60.0° | 80.1° |
| N4 | C19 | C20 | C23 | 124.6° | 119.5° |
| N4 | C19 | C20 | H35 | 117.9° | 118.6° |
| N4 | C19 | C23 | H35 | 113.7° | 120.1° |
| N4 | C19 | C20 | C21 | 163.5° | 172.8° |
| N4 | C19 | C20 | C22 | 40.7° | 67.2° |
| N4 | C19 | C20 | H36 | 78.4° | 52.8° |
| N4 | C19 | C23 | O4 | 100.8° | 12.3° |
| N4 | C19 | C23 | N5 | 76.4° | 170.9° |
| H32 | C18 | H33 | H34 | 120.0° | 120.0° |
| H32 | C18 | N4 | C17 | 0.2° | 19.4° |
| H33 | C18 | N4 | C17 | 120.2° | 139.4° |
| H34 | C18 | N4 | C17 | 119.8° | 100.6° |
| C20 | C19 | C23 | H35 | 117.6° | 121.1° |
| C19 | C20 | C21 | C22 | 121.1° | 120.0° |
| C19 | C20 | C21 | H36 | 117.9° | 120.0° |
| C19 | C20 | C22 | H36 | 118.9° | 120.0° |
| C19 | C20 | C21 | H37 | 180.0° | 74.5° |
| C19 | C20 | C21 | H38 | 60.0° | 165.6° |
| C19 | C20 | C21 | H39 | 60.0° | 45.5° |
| C19 | C20 | C22 | H40 | 180.0° | 72.8° |
| C19 | C20 | C22 | H41 | 60.0° | 167.1° |
| C19 | C20 | C22 | H42 | 60.0° | 47.2° |
| C20 | C19 | C23 | O4 | 27.9° | 131.1° |
| C20 | C19 | N4 | C17 | 111.4° | 177.5° |
| C20 | C19 | C23 | N5 | 154.9° | 52.1° |
| C23 | C19 | C20 | C21 | 71.9° | 53.3° |
| C23 | C19 | C20 | C22 | 165.2° | 173.3° |
| C23 | C19 | C20 | H36 | 46.2° | 66.7° |
| C19 | C23 | O4 | N5 | 177.2° | 176.8° |
| C19 | C23 | N5 | C24 | 2.3° | 39.3° |
| C19 | C23 | N5 | C25 | 176.6° | 138.9° |
| C23 | C19 | N4 | C17 | 119.4° | 62.4° |
| H35 | C19 | C20 | C21 | 45.7° | 68.6° |
| H35 | C19 | C20 | C22 | 77.2° | 51.4° |
| H35 | C19 | C20 | H36 | 163.7° | 171.4° |
| H35 | C19 | C23 | O4 | 145.5° | 107.8° |
| H35 | C19 | N4 | C17 | 6.2° | 58.7° |
| H35 | C19 | C23 | N5 | 37.3° | 69.0° |
| C21 | C20 | C22 | H36 | 121.0° | 120.0° |
| C20 | C21 | H37 | H38 | 120.0° | 120.0° |
| C20 | C21 | H37 | H39 | 120.0° | 120.0° |
| C20 | C21 | H38 | H39 | 120.0° | 120.0° |
| C21 | C20 | C22 | H40 | 59.9° | 167.2° |
| C21 | C20 | C22 | H41 | 60.1° | 47.1° |
| C21 | C20 | C22 | H42 | 179.9° | 72.9° |
| C22 | C20 | C21 | H37 | 58.9° | 45.6° |
| C22 | C20 | C21 | H38 | 178.9° | 74.4° |
| C22 | C20 | C21 | H39 | 61.1° | 165.6° |
| C20 | C22 | H40 | H41 | 120.0° | 120.1° |
| C20 | C22 | H40 | H42 | 120.0° | 119.9° |
| C20 | C22 | H41 | H42 | 120.0° | 119.9° |
| H36 | C20 | C21 | H37 | 62.1° | 165.5° |
| H36 | C20 | C21 | H38 | 57.9° | 45.5° |
| H36 | C20 | C21 | H39 | 177.9° | 74.5° |
| H36 | C20 | C22 | H40 | 61.1° | 47.2° |
| H36 | C20 | C22 | H41 | 178.9° | 72.9° |
| H36 | C20 | C22 | H42 | 59.0° | 167.2° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| H40 | C22 | H41 | H42 | 120.0° | 120.0° |
| O4 | C23 | N5 | C24 | 179.3° | 137.4° |
| O4 | C23 | N5 | C25 | 0.5° | 44.4° |
| C24 | N5 | C25 | C23 | 179.0° | 178.3° |
| N5 | C24 | H43 | H44 | 120.0° | 120.1° |
| N5 | C24 | H43 | H45 | 120.0° | 119.9° |
| N5 | C24 | H44 | H45 | 120.0° | 120.0° |
| C24 | N5 | C25 | C26 | 71.9° | 82.7° |
| C24 | N5 | C25 | C27 | 57.4° | 152.8° |
| C24 | N5 | C25 | H46 | 172.6° | 34.7° |
| C25 | N5 | C24 | H43 | 180.0° | 172.2° |
| C25 | N5 | C24 | H44 | 60.0° | 52.1° |
| C25 | N5 | C24 | H45 | 60.0° | 67.9° |
| N5 | C25 | C26 | C27 | 132.0° | 124.6° |
| N5 | C25 | C26 | H46 | 115.9° | 117.0° |
| N5 | C25 | C27 | H46 | 116.0° | 117.6° |
| N5 | C25 | C26 | O5 | 8.2° | 2.4° |
| N5 | C25 | C27 | O6 | 82.1° | 84.5° |
| N5 | C25 | C27 | C28 | 44.5° | 35.5° |
| N5 | C25 | C27 | H47 | 162.0° | 155.6° |
| N5 | C25 | C26 | N6 | 166.0° | 178.3° |
| H43 | C24 | H44 | H45 | 120.0° | 120.0° |
| H43 | C24 | N5 | C23 | 1.2° | 6.0° |
| H44 | C24 | N5 | C23 | 121.1° | 126.1° |
| H45 | C24 | N5 | C23 | 118.8° | 113.9° |
| C26 | C25 | C27 | H46 | 112.5° | 118.3° |
| C25 | C26 | O5 | N6 | 173.5° | 179.4° |
| C26 | C25 | C27 | O6 | 49.4° | 39.6° |
| C26 | C25 | C27 | C28 | 176.0° | 159.7° |
| C26 | C25 | C27 | H47 | 66.5° | 80.3° |
| C25 | C26 | N6 | C34 | 172.0° | 170.5° |
| C25 | C26 | N6 | H60 | 8.0° | 8.8° |
| C26 | C25 | N5 | C23 | 109.1° | 99.0° |
| C27 | C25 | C26 | O5 | 123.8° | 127.0° |
| C25 | C27 | O6 | C28 | 127.7° | 120.1° |
| C25 | C27 | O6 | H47 | 114.3° | 119.9° |
| C25 | C27 | C28 | H47 | 117.2° | 120.0° |
| C25 | C27 | O6 | H48 | 176.7° | 58.7° |
| C25 | C27 | C28 | C29 | 60.5° | 69.0° |
| C25 | C27 | C28 | C30 | 173.8° | 171.0° |
| C25 | C27 | C28 | H49 | 56.0° | 51.0° |
| C27 | C25 | N5 | C23 | 121.6° | 25.5° |
| C27 | C25 | C26 | N6 | 62.0° | 53.7° |
| H46 | C25 | C26 | O5 | 124.1° | 114.6° |
| H46 | C25 | C27 | O6 | 162.0° | 157.9° |
| H46 | C25 | C27 | C28 | 71.5° | 82.0° |
| H46 | C25 | C27 | H47 | 46.1° | 38.0° |
| H46 | C25 | N5 | C23 | 6.4° | 143.5° |
| H46 | C25 | C26 | N6 | 50.1° | 64.7° |
| O5 | C26 | N6 | C34 | 1.9° | 8.8° |
| O5 | C26 | N6 | H60 | 178.1° | 171.9° |
| O6 | C27 | C28 | H47 | 119.1° | 120.0° |
| O6 | C27 | C28 | C29 | 175.8° | 171.0° |
| O6 | C27 | C28 | C30 | 50.1° | 51.0° |
| O6 | C27 | C28 | H49 | 67.7° | 69.0° |
| C28 | C27 | O6 | H48 | 49.0° | 61.4° |
| C27 | C28 | C29 | C30 | 128.3° | 120.0° |
| C27 | C28 | C29 | H49 | 116.4° | 120.0° |
| C27 | C28 | C30 | H49 | 117.8° | 120.0° |
| C27 | C28 | C29 | H50 | 180.0° | 60.1° |
| C27 | C28 | C29 | H51 | 60.0° | 180.0° |
| C27 | C28 | C29 | H52 | 60.0° | 60.0° |
| C27 | C28 | C30 | C31 | 75.9° | 175.0° |
| C27 | C28 | C30 | H53 | 163.0° | 55.0° |
| C27 | C28 | C30 | H54 | 45.2° | 65.0° |
| H47 | C27 | O6 | H48 | 69.0° | 178.6° |
| H47 | C27 | C28 | C29 | 56.7° | 51.0° |
| H47 | C27 | C28 | C30 | 68.9° | 69.0° |
| H47 | C27 | C28 | H49 | 173.3° | 171.0° |
| C29 | C28 | C30 | H49 | 115.5° | 120.1° |
| C28 | C29 | H50 | H51 | 120.0° | 119.9° |
| C28 | C29 | H50 | H52 | 120.0° | 120.1° |
| C28 | C29 | H51 | H52 | 120.0° | 120.0° |
| C29 | C28 | C30 | C31 | 50.7° | 65.0° |
| C29 | C28 | C30 | H53 | 70.4° | 175.0° |
| C29 | C28 | C30 | H54 | 171.8° | 54.9° |
| C30 | C28 | C29 | H50 | 51.8° | 180.0° |
| C30 | C28 | C29 | H51 | 68.3° | 60.0° |
| C30 | C28 | C29 | H52 | 171.7° | 60.0° |
| C28 | C30 | C31 | H53 | 121.1° | 120.0° |
| C28 | C30 | C31 | H54 | 121.1° | 120.0° |
| C28 | C30 | H53 | H54 | 116.6° | 120.0° |
| C28 | C30 | C31 | C32 | 129.0° | 125.0° |
| C28 | C30 | C31 | H55 | 51.0° | 54.9° |
| H49 | C28 | C29 | H50 | 63.6° | 60.0° |
| H49 | C28 | C29 | H51 | 176.4° | 60.0° |
| H49 | C28 | C29 | H52 | 56.4° | 180.0° |
| H49 | C28 | C30 | C31 | 166.2° | 55.0° |
| H49 | C28 | C30 | H53 | 45.2° | 64.9° |
| H49 | C28 | C30 | H54 | 72.7° | 175.0° |
| H50 | C29 | H51 | H52 | 120.0° | 120.0° |
| C31 | C30 | H53 | H54 | 116.6° | 120.0° |
| C30 | C31 | C32 | H55 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 166.8° | 180.0° |
| C30 | C31 | C32 | H56 | 13.2° | 0.0° |
| H53 | C30 | C31 | C32 | 109.9° | 5.0° |
| H53 | C30 | C31 | H55 | 70.1° | 174.9° |
| H54 | C30 | C31 | C32 | 7.9° | 115.0° |
| H54 | C30 | C31 | H55 | 172.1° | 65.0° |
| C31 | C32 | C33 | H56 | 180.0° | 180.0° |
| C31 | C32 | C33 | H57 | 180.0° | 60.1° |
| C31 | C32 | C33 | H58 | 60.0° | 59.9° |
| C31 | C32 | C33 | H59 | 60.0° | 180.0° |
| H55 | C31 | C32 | C33 | 13.2° | 0.0° |
| H55 | C31 | C32 | H56 | 166.8° | 180.0° |
| C32 | C33 | H57 | H58 | 120.0° | 120.0° |
| C32 | C33 | H57 | H59 | 120.0° | 119.9° |
| C32 | C33 | H58 | H59 | 120.0° | 120.0° |
| H56 | C32 | C33 | H57 | 0.0° | 120.0° |
| H56 | C32 | C33 | H58 | 120.0° | 120.0° |
| H56 | C32 | C33 | H59 | 120.0° | 0.0° |
| H57 | C33 | H58 | H59 | 120.0° | 120.0° |
| C34 | N6 | H60 | C26 | 180.0° | 179.3° |
| N6 | C34 | C35 | C36 | 118.8° | 119.0° |
| N6 | C34 | C35 | H61 | 119.1° | 120.7° |
| N6 | C34 | C36 | H61 | 121.0° | 118.8° |
| N6 | C34 | C35 | O7 | 93.7° | 10.4° |
| N6 | C34 | C36 | C37 | 54.2° | 65.0° |
| N6 | C34 | C36 | H62 | 66.4° | 55.0° |
| N6 | C34 | C36 | H63 | 174.8° | 174.9° |
| N6 | C34 | C35 | N7 | 86.1° | 173.0° |
| H60 | N6 | C34 | C35 | 57.4° | 108.6° |
| H60 | N6 | C34 | C36 | 63.9° | 11.5° |
| H60 | N6 | C34 | H61 | 175.8° | 130.1° |
| C35 | C34 | C36 | H61 | 122.1° | 121.1° |
| C34 | C35 | O7 | N7 | 179.8° | 176.6° |
| C35 | C34 | C36 | C37 | 171.2° | 175.0° |
| C35 | C34 | C36 | H62 | 50.5° | 65.0° |
| C35 | C34 | C36 | H63 | 68.2° | 54.9° |
| C34 | C35 | N7 | C38 | 1.4° | 34.2° |
| C34 | C35 | N7 | C39 | 179.9° | 144.8° |
| C35 | C34 | N6 | C26 | 122.6° | 72.0° |
| C36 | C34 | C35 | O7 | 25.1° | 129.4° |
| C34 | C36 | C37 | H62 | 120.6° | 120.0° |
| C34 | C36 | C37 | H63 | 120.6° | 120.0° |
| C34 | C36 | H62 | H63 | 118.1° | 120.0° |
| C34 | C36 | C37 | H64 | 180.0° | 60.0° |
| C34 | C36 | C37 | H65 | 60.0° | 60.0° |
| C34 | C36 | C37 | H66 | 60.0° | 179.9° |
| C36 | C34 | N6 | C26 | 116.1° | 167.8° |
| C36 | C34 | C35 | N7 | 155.1° | 54.1° |
| H61 | C34 | C35 | O7 | 147.1° | 110.3° |
| H61 | C34 | C36 | C37 | 66.7° | 53.8° |
| H61 | C34 | C36 | H62 | 172.6° | 173.9° |
| H61 | C34 | C36 | H63 | 53.9° | 66.2° |
| H61 | C34 | N6 | C26 | 4.2° | 49.3° |
| H61 | C34 | C35 | N7 | 33.1° | 66.2° |
| O7 | C35 | N7 | C38 | 178.4° | 142.3° |
| O7 | C35 | N7 | C39 | 0.1° | 38.7° |
| C37 | C36 | H62 | H63 | 118.1° | 120.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| H62 | C36 | C37 | H64 | 59.4° | 180.0° |
| H62 | C36 | C37 | H65 | 179.4° | 60.0° |
| H62 | C36 | C37 | H66 | 60.7° | 60.0° |
| H63 | C36 | C37 | H64 | 59.4° | 60.0° |
| H63 | C36 | C37 | H65 | 60.6° | 179.9° |
| H63 | C36 | C37 | H66 | 179.4° | 59.9° |
| H64 | C37 | H65 | H66 | 120.0° | 120.0° |
| O8 | C41 | C39 | N8 | 174.9° | 179.3° |
| O8 | C41 | C39 | C40 | 22.6° | 48.0° |
| O8 | C41 | C39 | N7 | 104.2° | 70.9° |
| O8 | C41 | C39 | H70 | 139.4° | 168.6° |
| O8 | C41 | N8 | C43 | 2.7° | 174.7° |
| O8 | C41 | N8 | C42 | 178.2° | 5.8° |
| C41 | C39 | N7 | C38 | 43.8° | 25.3° |
| C41 | C39 | C40 | N7 | 127.9° | 118.0° |
| C41 | C39 | C40 | H70 | 116.7° | 122.0° |
| C41 | C39 | N7 | H70 | 116.1° | 121.9° |
| C41 | C39 | C40 | H71 | 180.0° | 178.0° |
| C41 | C39 | C40 | H72 | 60.0° | 61.9° |
| C41 | C39 | C40 | H73 | 60.0° | 58.0° |
| C39 | C41 | N8 | C43 | 177.4° | 4.7° |
| C39 | C41 | N8 | C42 | 3.5° | 174.8° |
| C41 | C39 | N7 | C35 | 134.7° | 153.7° |
| C38 | N7 | C39 | C40 | 84.8° | 143.3° |
| C38 | N7 | C39 | C35 | 178.6° | 179.0° |
| N7 | C38 | H67 | H68 | 120.0° | 120.0° |
| N7 | C38 | H67 | H69 | 120.0° | 120.0° |
| N7 | C38 | H68 | H69 | 120.0° | 120.0° |
| C38 | N7 | C39 | H70 | 160.0° | 96.6° |
| C40 | C39 | N7 | H70 | 115.2° | 120.1° |
| C39 | C40 | H71 | H72 | 120.0° | 119.9° |
| C39 | C40 | H71 | H73 | 120.0° | 119.9° |
| C39 | C40 | H72 | H73 | 120.0° | 119.9° |
| C40 | C39 | N7 | C35 | 96.6° | 35.7° |
| C40 | C39 | C41 | N8 | 162.5° | 131.3° |
| C39 | N7 | C38 | H67 | 180.0° | 178.9° |
| C39 | N7 | C38 | H68 | 60.0° | 58.9° |
| C39 | N7 | C38 | H69 | 60.0° | 61.0° |
| N7 | C39 | C40 | H71 | 52.1° | 60.0° |
| N7 | C39 | C40 | H72 | 172.1° | 179.9° |
| N7 | C39 | C40 | H73 | 67.9° | 60.0° |
| N7 | C39 | C41 | N8 | 70.7° | 109.8° |
| H67 | C38 | H68 | H69 | 120.0° | 120.0° |
| H67 | C38 | N7 | C35 | 1.5° | 0.0° |
| H68 | C38 | N7 | C35 | 121.5° | 120.0° |
| H69 | C38 | N7 | C35 | 118.5° | 120.0° |
| H70 | C39 | C40 | H71 | 63.3° | 60.0° |
| H70 | C39 | C40 | H72 | 56.7° | 60.1° |
| H70 | C39 | C40 | H73 | 176.7° | 180.0° |
| H70 | C39 | N7 | C35 | 18.6° | 84.4° |
| H70 | C39 | C41 | N8 | 45.7° | 10.7° |
| H71 | C40 | H72 | H73 | 120.0° | 120.1° |
| C50 | O10 | C49 | C48 | 98.7° | 180.0° |
| C50 | O10 | C49 | H86 | 141.2° | 60.0° |
| C50 | O10 | C49 | H87 | 21.4° | 60.0° |
| O10 | C50 | H88 | H89 | 120.0° | 120.1° |
| O10 | C50 | H88 | H90 | 120.0° | 120.0° |
| O10 | C50 | H89 | H90 | 120.0° | 120.0° |
| O10 | C49 | C48 | H86 | 120.1° | 120.0° |
| O10 | C49 | C48 | H87 | 120.1° | 120.0° |
| O10 | C49 | C48 | N9 | 44.4° | 62.2° |
| O10 | C49 | C48 | H84 | 165.2° | 57.8° |
| O10 | C49 | C48 | H85 | 76.4° | 177.8° |
| O10 | C49 | H86 | H87 | 119.6° | 120.1° |
| C49 | O10 | C50 | H88 | 180.0° | 60.0° |
| C49 | O10 | C50 | H89 | 60.0° | 60.0° |
| C49 | O10 | C50 | H90 | 60.0° | 180.0° |
| C49 | C48 | N9 | H84 | 120.8° | 119.9° |
| C49 | C48 | N9 | H85 | 120.8° | 120.1° |
| C49 | C48 | N9 | C54 | 122.6° | 170.4° |
| C49 | C48 | N9 | C51 | 112.2° | 65.9° |
| C49 | C48 | H84 | H85 | 117.5° | 120.0° |
| C48 | C49 | H86 | H87 | 119.6° | 119.9° |
| C48 | N9 | C54 | C53 | 174.5° | 176.8° |
| C48 | N9 | C54 | C51 | 127.3° | 123.8° |
| C48 | N9 | C51 | C52 | 177.3° | 176.8° |
| N9 | C48 | H84 | H85 | 117.5° | 120.0° |
| N9 | C48 | C49 | H86 | 75.7° | 177.8° |
| N9 | C48 | C49 | H87 | 164.5° | 57.9° |
| C48 | N9 | C51 | H91 | 57.1° | 56.8° |
| C48 | N9 | C51 | H92 | 62.5° | 63.2° |
| C48 | N9 | C54 | H97 | 54.3° | 63.2° |
| C48 | N9 | C54 | H98 | 65.4° | 56.9° |
| C53 | C54 | N9 | H97 | 120.2° | 120.0° |
| C53 | C54 | N9 | H98 | 120.1° | 119.9° |
| C54 | C53 | N10 | H95 | 120.0° | 120.0° |
| C54 | C53 | N10 | H96 | 120.0° | 120.0° |
| C53 | C54 | N9 | C51 | 58.3° | 59.3° |
| C54 | C53 | N10 | C45 | 173.4° | 176.8° |
| C54 | C53 | N10 | C52 | 59.9° | 59.4° |
| C54 | C53 | H95 | H96 | 120.0° | 120.0° |
| C53 | C54 | H97 | H98 | 119.6° | 120.0° |
| N9 | C54 | C53 | N10 | 60.1° | 58.5° |
| C54 | N9 | C51 | C52 | 56.8° | 59.3° |
| C54 | N9 | C48 | H84 | 116.6° | 50.4° |
| C54 | N9 | C48 | H85 | 1.8° | 69.6° |
| C54 | N9 | C51 | H91 | 177.0° | 179.3° |
| C54 | N9 | C51 | H92 | 63.4° | 60.6° |
| N9 | C54 | C53 | H95 | 179.8° | 61.6° |
| N9 | C54 | C53 | H96 | 59.9° | 178.4° |
| N9 | C54 | H97 | H98 | 119.6° | 120.1° |
| C53 | N10 | C45 | C52 | 125.3° | 123.7° |
| C53 | N10 | C52 | C51 | 58.6° | 59.4° |
| C53 | N10 | C45 | C44 | 60.1° | 170.2° |
| C53 | N10 | C45 | H79 | 60.8° | 69.9° |
| C53 | N10 | C45 | H80 | 179.0° | 50.1° |
| C53 | N10 | C52 | H93 | 178.7° | 60.6° |
| C53 | N10 | C52 | H94 | 61.5° | 179.3° |
| N10 | C53 | H95 | H96 | 120.0° | 120.0° |
| N10 | C53 | C54 | H97 | 179.7° | 61.5° |
| N10 | C53 | C54 | H98 | 60.0° | 178.4° |
| N9 | C51 | C52 | N10 | 57.1° | 58.4° |
| N9 | C51 | C52 | H91 | 120.2° | 120.0° |
| N9 | C51 | C52 | H92 | 120.2° | 119.9° |
| C51 | N9 | C48 | H84 | 8.6° | 174.2° |
| C51 | N9 | C48 | H85 | 126.9° | 54.2° |
| N9 | C51 | H91 | H92 | 119.4° | 120.0° |
| N9 | C51 | C52 | H93 | 177.3° | 61.6° |
| N9 | C51 | C52 | H94 | 63.0° | 178.4° |
| C51 | N9 | C54 | H97 | 178.5° | 60.6° |
| C51 | N9 | C54 | H98 | 61.9° | 179.3° |
| C45 | N10 | C52 | C51 | 173.8° | 176.8° |
| N10 | C45 | C44 | H79 | 120.9° | 120.0° |
| N10 | C45 | C44 | H80 | 120.9° | 120.0° |
| N10 | C45 | C44 | C43 | 136.8° | 178.6° |
| N10 | C45 | C44 | C47 | 103.6° | 61.4° |
| N10 | C45 | C44 | H78 | 13.0° | 58.6° |
| N10 | C45 | H79 | H80 | 117.2° | 120.0° |
| C45 | N10 | C52 | H93 | 53.7° | 63.2° |
| C45 | N10 | C52 | H94 | 66.1° | 56.8° |
| C45 | N10 | C53 | H95 | 53.4° | 63.2° |
| C45 | N10 | C53 | H96 | 66.6° | 56.8° |
| N10 | C52 | C51 | H93 | 120.1° | 120.0° |
| N10 | C52 | C51 | H94 | 120.1° | 120.0° |
| C52 | N10 | C45 | C44 | 174.6° | 66.1° |
| C52 | N10 | C45 | H79 | 64.5° | 53.9° |
| C52 | N10 | C45 | H80 | 53.7° | 173.9° |
| N10 | C52 | C51 | H91 | 177.3° | 178.4° |
| N10 | C52 | C51 | H92 | 63.1° | 61.5° |
| N10 | C52 | H93 | H94 | 119.7° | 120.1° |
| C52 | N10 | C53 | H95 | 179.9° | 60.6° |
| C52 | N10 | C53 | H96 | 60.1° | 179.4° |
| C52 | C51 | H91 | H92 | 119.4° | 120.1° |
| C51 | C52 | H93 | H94 | 119.7° | 120.0° |
| C45 | C44 | C43 | C46 | 78.9° | 61.0° |
| C45 | C44 | C43 | C47 | 115.6° | 120.0° |
| C45 | C44 | C43 | H78 | 123.3° | 120.0° |
| C45 | C44 | C47 | H78 | 115.7° | 120.0° |
| C45 | C44 | C43 | N8 | 156.5° | 180.0° |
| C45 | C44 | C43 | H77 | 40.5° | 58.4° |
| C44 | C45 | H79 | H80 | 117.2° | 120.0° |
| C45 | C44 | C47 | H81 | 180.0° | 174.8° |
| C45 | C44 | C47 | H82 | 60.0° | 65.2° |
| C45 | C44 | C47 | H83 | 60.0° | 54.8° |
| O9 | C46 | C43 | N11 | 178.9° | 179.9° |
| O9 | C46 | C43 | C44 | 39.4° | 101.5° |
| O9 | C46 | C43 | N8 | 88.9° | 17.7° |
| O9 | C46 | C43 | H77 | 158.8° | 139.6° |
| O9 | C46 | N11 | C55 | 1.8° | 0.3° |
| O9 | C46 | N11 | H99 | 178.2° | 179.1° |
| C46 | C43 | C44 | N8 | 124.6° | 119.1° |
| C46 | C43 | C44 | H77 | 119.4° | 119.4° |
| C46 | C43 | C44 | C47 | 165.5° | 179.0° |
| C46 | C43 | N8 | H77 | 111.7° | 120.9° |
| C46 | C43 | N8 | C42 | 68.8° | 86.4° |
| C46 | C43 | C44 | H78 | 44.4° | 59.0° |
| C43 | C46 | N11 | C55 | 179.3° | 179.8° |
| C43 | C46 | N11 | H99 | 0.7° | 0.8° |
| C46 | C43 | N8 | C41 | 112.1° | 94.1° |
| C43 | C44 | C47 | H78 | 121.0° | 120.0° |
| C44 | C43 | N8 | H77 | 115.6° | 120.1° |
| C44 | C43 | N8 | C42 | 63.9° | 32.5° |
| C43 | C44 | C45 | H79 | 102.3° | 58.6° |
| C43 | C44 | C45 | H80 | 15.9° | 61.4° |
| C43 | C44 | C47 | H81 | 56.7° | 54.7° |
| C43 | C44 | C47 | H82 | 176.7° | 174.8° |
| C43 | C44 | C47 | H83 | 63.3° | 65.3° |
| C44 | C43 | N8 | C41 | 115.2° | 147.0° |
| C44 | C43 | C46 | N11 | 141.8° | 78.6° |
| C47 | C44 | C43 | N8 | 40.9° | 59.9° |
| C47 | C44 | C43 | H77 | 75.1° | 61.6° |
| C47 | C44 | C45 | H79 | 17.3° | 178.6° |
| C47 | C44 | C45 | H80 | 135.5° | 58.6° |
| C44 | C47 | H81 | H82 | 120.0° | 120.0° |
| C44 | C47 | H81 | H83 | 120.0° | 120.0° |
| C44 | C47 | H82 | H83 | 120.0° | 120.0° |
| C43 | N8 | C42 | C41 | 179.1° | 179.5° |
| C43 | N8 | C42 | H74 | 180.0° | 179.5° |
| C43 | N8 | C42 | H75 | 60.0° | 60.5° |
| C43 | N8 | C42 | H76 | 60.0° | 59.5° |
| N8 | C43 | C44 | H78 | 80.2° | 60.0° |
| N8 | C43 | C46 | N11 | 90.0° | 162.3° |
| N8 | C42 | H74 | H75 | 120.0° | 119.9° |
| N8 | C42 | H74 | H76 | 120.0° | 120.0° |
| N8 | C42 | H75 | H76 | 120.0° | 120.0° |
| C42 | N8 | C43 | H77 | 179.5° | 152.6° |
| H74 | C42 | H75 | H76 | 120.0° | 120.0° |
| H74 | C42 | N8 | C41 | 0.9° | 0.1° |
| H75 | C42 | N8 | C41 | 120.9° | 120.0° |
| H76 | C42 | N8 | C41 | 119.1° | 119.9° |
| H77 | C43 | C44 | H78 | 163.8° | 178.4° |
| H77 | C43 | N8 | C41 | 0.4° | 26.8° |
| H77 | C43 | C46 | N11 | 22.3° | 40.4° |
| H78 | C44 | C45 | H79 | 133.9° | 61.4° |
| H78 | C44 | C45 | H80 | 107.9° | 178.6° |
| H78 | C44 | C47 | H81 | 64.3° | 65.2° |
| H78 | C44 | C47 | H82 | 55.7° | 54.8° |
| H78 | C44 | C47 | H83 | 175.7° | 174.7° |
| H81 | C47 | H82 | H83 | 120.0° | 120.0° |
| H84 | C48 | C49 | H86 | 45.1° | 62.3° |
| H84 | C48 | C49 | H87 | 74.6° | 177.8° |
| H85 | C48 | C49 | H86 | 163.5° | 57.8° |
| H85 | C48 | C49 | H87 | 43.7° | 62.2° |
| H88 | C50 | H89 | H90 | 120.0° | 119.9° |
| H91 | C51 | C52 | H93 | 62.5° | 58.4° |
| H91 | C51 | C52 | H94 | 57.2° | 61.6° |
| H92 | C51 | C52 | H93 | 57.1° | 178.4° |
| H92 | C51 | C52 | H94 | 176.8° | 58.4° |
| H95 | C53 | C54 | H97 | 59.7° | 178.4° |
| H95 | C53 | C54 | H98 | 60.0° | 58.3° |
| H96 | C53 | C54 | H97 | 60.3° | 58.4° |
| H96 | C53 | C54 | H98 | 180.0° | 61.7° |
| C55 | N11 | H99 | C46 | 180.0° | 179.4° |
| N11 | C55 | C56 | C57 | 128.7° | 118.4° |
| N11 | C55 | C56 | H100 | 114.6° | 119.2° |
| N11 | C55 | C57 | H100 | 117.7° | 119.4° |
| N11 | C55 | C56 | O11 | 53.2° | 15.3° |
| N11 | C55 | C57 | C58 | 178.3° | 60.0° |
| N11 | C55 | C57 | C59 | 56.7° | 60.0° |
| N11 | C55 | C57 | H101 | 61.6° | 180.0° |
| N11 | C55 | C56 | N12 | 123.3° | 163.8° |
| H99 | N11 | C55 | C56 | 114.4° | 17.2° |
| H99 | N11 | C55 | C57 | 14.3° | 101.8° |
| H99 | N11 | C55 | H100 | 131.5° | 137.7° |
| C56 | C55 | C57 | H100 | 116.7° | 122.6° |
| C55 | C56 | O11 | N12 | 176.5° | 179.1° |
| C56 | C55 | C57 | C58 | 56.1° | 177.9° |
| C56 | C55 | C57 | C59 | 177.7° | 57.9° |
| C56 | C55 | C57 | H101 | 64.0° | 62.1° |
| C55 | C56 | N12 | C60 | 4.0° | 12.5° |
| C55 | C56 | N12 | C61 | 178.9° | 166.9° |
| C56 | C55 | N11 | C46 | 65.6° | 163.4° |
| C57 | C55 | C56 | O11 | 75.5° | 103.1° |
| C55 | C57 | C58 | C59 | 122.6° | 120.0° |
| C55 | C57 | C58 | H101 | 120.0° | 120.0° |
| C55 | C57 | C59 | H101 | 118.1° | 120.0° |
| C55 | C57 | C58 | H102 | 180.0° | 60.0° |
| C55 | C57 | C58 | H103 | 60.0° | 180.0° |
| C55 | C57 | C58 | H104 | 60.0° | 60.0° |
| C55 | C57 | C59 | H105 | 180.0° | 60.0° |
| C55 | C57 | C59 | H106 | 60.0° | 180.0° |
| C55 | C57 | C59 | H107 | 60.0° | 60.0° |
| C57 | C55 | N11 | C46 | 165.6° | 77.6° |
| C57 | C55 | C56 | N12 | 108.0° | 77.8° |
| H100 | C55 | C56 | O11 | 167.8° | 134.5° |
| H100 | C55 | C57 | C58 | 60.6° | 59.4° |
| H100 | C55 | C57 | C59 | 61.0° | 179.4° |
| H100 | C55 | C57 | H101 | 179.3° | 60.5° |
| H100 | C55 | N11 | C46 | 48.5° | 42.9° |
| H100 | C55 | C56 | N12 | 8.7° | 44.5° |
| O11 | C56 | N12 | C60 | 179.7° | 166.6° |
| O11 | C56 | N12 | C61 | 2.6° | 14.0° |
| C58 | C57 | C59 | H101 | 117.4° | 120.0° |
| C57 | C58 | H102 | H103 | 120.0° | 120.0° |
| C57 | C58 | H102 | H104 | 120.0° | 120.1° |
| C57 | C58 | H103 | H104 | 120.0° | 120.0° |
| C58 | C57 | C59 | H105 | 55.5° | 180.0° |
| C58 | C57 | C59 | H106 | 64.5° | 60.0° |
| C58 | C57 | C59 | H107 | 175.5° | 60.0° |
| C59 | C57 | C58 | H102 | 57.4° | 60.0° |
| C59 | C57 | C58 | H103 | 177.4° | 60.0° |
| C59 | C57 | C58 | H104 | 62.6° | 179.9° |
| C57 | C59 | H105 | H106 | 120.0° | 120.0° |
| C57 | C59 | H105 | H107 | 120.0° | 120.0° |
| C57 | C59 | H106 | H107 | 119.9° | 120.0° |
| H101 | C57 | C58 | H102 | 60.0° | 180.0° |
| H101 | C57 | C58 | H103 | 60.0° | 60.0° |
| H101 | C57 | C58 | H104 | 180.0° | 59.9° |
| H101 | C57 | C59 | H105 | 61.8° | 60.0° |
| H101 | C57 | C59 | H106 | 178.1° | 60.0° |
| H101 | C57 | C59 | H107 | 58.2° | 180.0° |
| H102 | C58 | H103 | H104 | 119.9° | 120.0° |
| H105 | C59 | H106 | H107 | 120.0° | 119.9° |
| C60 | N12 | C61 | C56 | 177.3° | 179.5° |
| N12 | C60 | H108 | H109 | 120.0° | 120.0° |
| N12 | C60 | H108 | H110 | 120.0° | 120.0° |
| N12 | C60 | H109 | H110 | 120.0° | 120.0° |
| C60 | N12 | C61 | C62 | 57.1° | 9.7° |
| C60 | N12 | C61 | C66 | 70.0° | 130.1° |
| C60 | N12 | C61 | H111 | 174.7° | 109.9° |
| C61 | N12 | C60 | H108 | 180.0° | 172.7° |
| C61 | N12 | C60 | H109 | 60.0° | 67.4° |
| C61 | N12 | C60 | H110 | 60.0° | 52.7° |
| N12 | C61 | C62 | C66 | 126.2° | 120.0° |
| N12 | C61 | C62 | H111 | 118.0° | 119.7° |
| N12 | C61 | C66 | H111 | 115.6° | 119.8° |
| N12 | C61 | C62 | C63 | 42.2° | 78.6° |
| N12 | C61 | C62 | H112 | 79.1° | 41.3° |
| N12 | C61 | C62 | H113 | 163.5° | 161.4° |
| N12 | C61 | C66 | O12 | 8.9° | 26.4° |
| N12 | C61 | C66 | N13 | 173.2° | 153.7° |
| H108 | C60 | H109 | H110 | 119.9° | 119.9° |
| H108 | C60 | N12 | C56 | 2.8° | 7.9° |
| H109 | C60 | N12 | C56 | 117.2° | 112.1° |
| H110 | C60 | N12 | C56 | 122.8° | 127.9° |
| C62 | C61 | C66 | H111 | 115.7° | 120.0° |
| C61 | C62 | C63 | H112 | 121.3° | 120.0° |
| C61 | C62 | C63 | H113 | 121.3° | 120.1° |
| C61 | C62 | H112 | H113 | 115.9° | 120.1° |
| C61 | C62 | C63 | C64 | 169.5° | 173.4° |
| C61 | C62 | C63 | C65 | 67.6° | 66.7° |
| C61 | C62 | C63 | H114 | 51.8° | 53.4° |
| C62 | C61 | C66 | O12 | 119.8° | 93.8° |
| C62 | C61 | N12 | C56 | 125.6° | 169.8° |
| C62 | C61 | C66 | N13 | 58.1° | 86.2° |
| C66 | C61 | C62 | C63 | 168.4° | 161.4° |
| C66 | C61 | C62 | H112 | 47.1° | 78.7° |
| C66 | C61 | C62 | H113 | 70.3° | 41.4° |
| C61 | C66 | O12 | N13 | 177.7° | 179.9° |
| C61 | C66 | N13 | C67 | 176.7° | 174.5° |
| C61 | C66 | N13 | H121 | 3.2° | 4.6° |
| C66 | C61 | N12 | C56 | 107.3° | 49.4° |
| H111 | C61 | C62 | C63 | 75.8° | 41.1° |
| H111 | C61 | C62 | H112 | 162.9° | 161.0° |
| H111 | C61 | C62 | H113 | 45.5° | 79.0° |
| H111 | C61 | C66 | O12 | 124.5° | 146.2° |
| H111 | C61 | N12 | C56 | 8.0° | 70.7° |
| H111 | C61 | C66 | N13 | 57.6° | 33.8° |
| C63 | C62 | H112 | H113 | 115.9° | 120.0° |
| C62 | C63 | C64 | C65 | 123.8° | 120.0° |
| C62 | C63 | C64 | H114 | 117.5° | 120.0° |
| C62 | C63 | C65 | H114 | 119.4° | 120.0° |
| C62 | C63 | C64 | H115 | 180.0° | 60.0° |
| C62 | C63 | C64 | H116 | 60.0° | 180.0° |
| C62 | C63 | C64 | H117 | 60.0° | 60.0° |
| C62 | C63 | C65 | H118 | 180.0° | 180.0° |
| C62 | C63 | C65 | H119 | 60.0° | 60.0° |
| C62 | C63 | C65 | H120 | 60.0° | 60.0° |
| H112 | C62 | C63 | C64 | 48.2° | 53.4° |
| H112 | C62 | C63 | C65 | 171.1° | 173.4° |
| H112 | C62 | C63 | H114 | 69.5° | 66.6° |
| H113 | C62 | C63 | C64 | 69.2° | 66.5° |
| H113 | C62 | C63 | C65 | 53.7° | 53.4° |
| H113 | C62 | C63 | H114 | 173.1° | 173.5° |
| C64 | C63 | C65 | H114 | 118.7° | 120.0° |
| C63 | C64 | H115 | H116 | 120.0° | 120.0° |
| C63 | C64 | H115 | H117 | 120.0° | 119.9° |
| C63 | C64 | H116 | H117 | 120.0° | 119.9° |
| C64 | C63 | C65 | H118 | 58.1° | 60.0° |
| C64 | C63 | C65 | H119 | 61.9° | 60.0° |
| C64 | C63 | C65 | H120 | 178.1° | 180.0° |
| C65 | C63 | C64 | H115 | 56.2° | 60.0° |
| C65 | C63 | C64 | H116 | 176.2° | 60.0° |
| C65 | C63 | C64 | H117 | 63.8° | 180.0° |
| C63 | C65 | H118 | H119 | 120.0° | 120.1° |
| C63 | C65 | H118 | H120 | 120.0° | 120.0° |
| C63 | C65 | H119 | H120 | 120.0° | 119.9° |
| H114 | C63 | C64 | H115 | 62.5° | 180.0° |
| H114 | C63 | C64 | H116 | 57.5° | 60.0° |
| H114 | C63 | C64 | H117 | 177.5° | 60.0° |
| H114 | C63 | C65 | H118 | 60.6° | 59.9° |
| H114 | C63 | C65 | H119 | 179.4° | 180.0° |
| H114 | C63 | C65 | H120 | 59.4° | 60.1° |
| H115 | C64 | H116 | H117 | 120.0° | 120.1° |
| H118 | C65 | H119 | H120 | 120.0° | 120.0° |
| O12 | C66 | N13 | C67 | 1.1° | 5.6° |
| O12 | C66 | N13 | H121 | 178.9° | 175.4° |
| C67 | N13 | H121 | C66 | 180.0° | 179.0° |
| N13 | C67 | C68 | C69 | 121.6° | 119.0° |
| N13 | C67 | C68 | H122 | 119.3° | 120.1° |
| N13 | C67 | C69 | H122 | 121.1° | 119.6° |
| N13 | C67 | C68 | O13 | 11.8° | 18.8° |
| N13 | C67 | C69 | H123 | 180.0° | 69.0° |
| N13 | C67 | C69 | H124 | 60.0° | 171.0° |
| N13 | C67 | C69 | H125 | 60.0° | 51.0° |
| N13 | C67 | C68 | N1 | 167.7° | 161.2° |
| H121 | N13 | C67 | C68 | 107.7° | 61.6° |
| H121 | N13 | C67 | C69 | 13.0° | 58.4° |
| H121 | N13 | C67 | H122 | 133.5° | 177.8° |
| C68 | C67 | C69 | H122 | 119.1° | 121.4° |
| C67 | C68 | O13 | N1 | 179.4° | 180.0° |
| C68 | C67 | C69 | H123 | 60.2° | 50.0° |
| C68 | C67 | C69 | H124 | 179.8° | 70.0° |
| C68 | C67 | C69 | H125 | 59.8° | 170.0° |
| C68 | C67 | N13 | C66 | 72.3° | 119.3° |
| C69 | C67 | C68 | O13 | 109.8° | 100.2° |
| C67 | C69 | H123 | H124 | 120.0° | 120.0° |
| C67 | C69 | H123 | H125 | 120.0° | 120.0° |
| C67 | C69 | H124 | H125 | 120.0° | 120.0° |
| C69 | C67 | C68 | N1 | 70.7° | 79.8° |
| C69 | C67 | N13 | C66 | 167.0° | 120.7° |
| H122 | C67 | C68 | O13 | 131.1° | 138.9° |
| H122 | C67 | C69 | H123 | 58.9° | 171.4° |
| H122 | C67 | C69 | H124 | 61.1° | 51.4° |
| H122 | C67 | C69 | H125 | 178.9° | 68.6° |
| H122 | C67 | C68 | N1 | 48.3° | 41.1° |
| H122 | C67 | N13 | C66 | 46.5° | 1.3° |
| H123 | C69 | H124 | H125 | 120.0° | 120.0° |
