PRD_002375
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| N2 | C3 | sing | 1.46Å | 1.45Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | C8 | sing | 1.37Å | 1.33Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C8 | N4 | sing | 1.33Å | 1.32Å | |
| C8 | N5 | doub | 1.33Å | 1.32Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | C9 | sing | 1.46Å | 1.44Å | |
| C11 | C9 | sing | 1.51Å | 1.51Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | N7 | sing | 1.47Å | 1.43Å | |
| N7 | N8 | sing | 1.39Å | 1.40Å | |
| N8 | N9 | sing | 1.39Å | 1.28Å | |
| N6 | H17 | sing | 0.98Å | 1.00Å | |
| C9 | H18 | sing | 1.10Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.10Å | 1.10Å | |
| N8 | H21 | sing | 1.07Å | 1.00Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å | |
| N10 | C12 | sing | 1.46Å | 1.43Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | O5 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| O5 | H26 | sing | 0.97Å | 0.95Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| N11 | C16 | sing | 1.46Å | 1.46Å | |
| N11 | H30 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O6 | doub | 1.22Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | N12 | sing | 1.47Å | 1.48Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| N12 | H40 | sing | 1.01Å | 1.00Å | |
| N12 | H41 | sing | 1.01Å | 1.00Å | |
| N12 | H42 | sing | 1.01Å | 1.00Å | |
| N13 | C22 | sing | 1.46Å | 1.44Å | |
| N13 | H43 | sing | 0.98Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | H44 | sing | 1.10Å | 1.10Å | |
| C23 | O7 | doub | 1.22Å | 1.22Å | |
| C24 | O8 | sing | 1.43Å | 1.43Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| O8 | H47 | sing | 0.97Å | 0.95Å | |
| N14 | C25 | sing | 1.46Å | 1.45Å | |
| N14 | H48 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | H49 | sing | 1.09Å | 1.10Å | |
| C26 | O9 | doub | 1.22Å | 1.24Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| N15 | C31 | sing | 1.47Å | 1.48Å | |
| N15 | C35 | sing | 1.46Å | 1.47Å | |
| C31 | C32 | sing | 1.49Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H59 | sing | 1.11Å | 1.10Å | |
| C32 | O10 | doub | 1.23Å | 1.24Å | |
| C33 | C34 | sing | 1.54Å | 1.49Å | |
| C33 | H60 | sing | 1.08Å | 1.10Å | |
| C33 | H61 | sing | 1.10Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| N16 | C36 | sing | 1.47Å | 1.45Å | |
| N16 | C40 | sing | 1.46Å | 1.48Å | |
| C36 | C37 | sing | 1.50Å | 1.53Å | |
| C36 | C38 | sing | 1.54Å | 1.52Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | O11 | doub | 1.21Å | 1.24Å | |
| C38 | C39 | sing | 1.54Å | 1.48Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.54Å | 1.50Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| N17 | C41 | sing | 1.46Å | 1.40Å | |
| N17 | H73 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | C43 | sing | 1.53Å | 1.55Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | O12 | doub | 1.22Å | 1.24Å | |
| C43 | C44 | sing | 1.53Å | 1.55Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H75 | sing | 1.09Å | 1.10Å | |
| C44 | C46 | sing | 1.53Å | 1.52Å | |
| C44 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H77 | sing | 1.09Å | 1.10Å | |
| C45 | H78 | sing | 1.09Å | 1.10Å | |
| C45 | H79 | sing | 1.09Å | 1.10Å | |
| C45 | H80 | sing | 1.09Å | 1.10Å | |
| C46 | H81 | sing | 1.09Å | 1.10Å | |
| C46 | H82 | sing | 1.09Å | 1.10Å | |
| C46 | H83 | sing | 1.09Å | 1.10Å | |
| C48 | C47 | doub | 1.32Å | 1.36Å | |
| C47 | H84 | sing | 1.08Å | 1.08Å | |
| C49 | C48 | sing | 1.51Å | 1.52Å | |
| C50 | C49 | sing | 1.52Å | 1.54Å | |
| C49 | H85 | sing | 1.09Å | 1.10Å | |
| C49 | H86 | sing | 1.09Å | 1.10Å | |
| C51 | C50 | sing | 1.50Å | 1.51Å | |
| C50 | N18 | sing | 1.46Å | 1.44Å | |
| C50 | H87 | sing | 1.11Å | 1.10Å | |
| O13 | C51 | doub | 1.21Å | 1.24Å | |
| N18 | H88 | sing | 0.98Å | 1.00Å | |
| N19 | C52 | sing | 1.47Å | 1.43Å | |
| N19 | H89 | sing | 0.97Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.53Å | |
| C52 | C54 | sing | 1.53Å | 1.54Å | |
| C52 | H90 | sing | 1.09Å | 1.10Å | |
| C53 | O14 | doub | 1.22Å | 1.24Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H91 | sing | 1.09Å | 1.10Å | |
| C54 | H92 | sing | 1.09Å | 1.10Å | |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | C57 | sing | 1.38Å | 1.39Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
| C56 | H93 | sing | 1.08Å | 1.08Å | |
| C57 | C59 | doub | 1.38Å | 1.38Å | Aromatic |
| C57 | H94 | sing | 1.08Å | 1.08Å | |
| C58 | C60 | doub | 1.38Å | 1.38Å | Aromatic |
| C58 | H95 | sing | 1.08Å | 1.08Å | |
| C59 | C60 | sing | 1.38Å | 1.38Å | Aromatic |
| C59 | H96 | sing | 1.08Å | 1.08Å | |
| C60 | H97 | sing | 1.08Å | 1.08Å | |
| N20 | C61 | sing | 1.47Å | 1.48Å | |
| N20 | C65 | sing | 1.47Å | 1.47Å | |
| C61 | C62 | sing | 1.51Å | 1.53Å | |
| C61 | C63 | sing | 1.54Å | 1.53Å | |
| C61 | H98 | sing | 1.09Å | 1.10Å | |
| C62 | O15 | doub | 1.21Å | 1.23Å | |
| C63 | C64 | sing | 1.54Å | 1.49Å | |
| C63 | H99 | sing | 1.09Å | 1.10Å | |
| C63 | H100 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.54Å | 1.50Å | |
| C64 | H101 | sing | 1.09Å | 1.10Å | |
| C64 | H102 | sing | 1.09Å | 1.10Å | |
| C65 | H103 | sing | 1.09Å | 1.10Å | |
| C65 | H104 | sing | 1.09Å | 1.10Å | |
| N21 | C66 | sing | 1.46Å | 1.45Å | |
| N21 | H105 | sing | 0.98Å | 1.00Å | |
| C66 | C67 | sing | 1.50Å | 1.52Å | |
| C66 | C68 | sing | 1.53Å | 1.53Å | |
| C66 | H106 | sing | 1.10Å | 1.10Å | |
| C67 | O16 | doub | 1.22Å | 1.23Å | |
| C68 | C69 | sing | 1.51Å | 1.50Å | |
| C68 | H107 | sing | 1.09Å | 1.10Å | |
| C68 | H108 | sing | 1.09Å | 1.10Å | |
| C69 | O17 | doub | 1.21Å | 1.24Å | |
| C69 | O18 | sing | 1.34Å | 1.24Å | |
| O18 | H109 | sing | 0.97Å | 0.95Å | |
| N1 | C67 | sing | 1.35Å | 1.33Å | |
| C2 | N2 | sing | 1.35Å | 1.30Å | |
| C4 | N6 | sing | 1.34Å | 1.29Å | |
| C11 | N10 | sing | 1.35Å | 1.30Å | |
| N7 | C48 | sing | 1.40Å | 1.36Å | |
| N9 | C47 | sing | 1.39Å | 1.32Å | |
| C13 | N11 | sing | 1.35Å | 1.31Å | |
| C17 | N13 | sing | 1.34Å | 1.30Å | |
| C23 | N14 | sing | 1.35Å | 1.30Å | |
| C26 | N15 | sing | 1.35Å | 1.35Å | |
| C32 | N16 | sing | 1.34Å | 1.34Å | |
| C37 | N17 | sing | 1.35Å | 1.30Å | |
| C42 | N18 | sing | 1.34Å | 1.31Å | |
| C51 | N19 | sing | 1.35Å | 1.29Å | |
| C53 | N20 | sing | 1.35Å | 1.34Å | |
| C62 | N21 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.0° | 119.4° |
| N1 | C1 | C2 | 113.9° | 109.3° |
| N1 | C1 | H2 | 108.4° | 109.8° |
| N1 | C1 | H3 | 108.4° | 109.1° |
| C1 | N1 | C67 | 120.1° | 118.8° |
| H1 | N1 | C67 | 120.0° | 121.8° |
| C2 | C1 | H2 | 108.4° | 109.5° |
| C2 | C1 | H3 | 108.4° | 109.3° |
| C1 | C2 | O1 | 120.5° | 119.6° |
| C1 | C2 | N2 | 117.0° | 120.3° |
| H2 | C1 | H3 | 109.4° | 109.8° |
| O1 | C2 | N2 | 122.5° | 120.1° |
| C3 | N2 | H4 | 119.5° | 120.0° |
| N2 | C3 | C4 | 111.3° | 109.4° |
| N2 | C3 | C5 | 110.6° | 109.7° |
| N2 | C3 | H5 | 109.1° | 109.8° |
| C3 | N2 | C2 | 120.9° | 120.4° |
| H4 | N2 | C2 | 119.5° | 119.6° |
| C4 | C3 | C5 | 109.2° | 109.0° |
| C4 | C3 | H5 | 108.3° | 109.3° |
| C3 | C4 | O2 | 120.5° | 118.7° |
| C3 | C4 | N6 | 116.2° | 118.9° |
| C5 | C3 | H5 | 108.3° | 109.7° |
| C3 | C5 | C6 | 114.8° | 109.5° |
| C3 | C5 | H6 | 108.1° | 109.5° |
| C3 | C5 | H7 | 108.1° | 109.5° |
| O2 | C4 | N6 | 123.2° | 122.4° |
| C6 | C5 | H6 | 108.1° | 109.5° |
| C6 | C5 | H7 | 108.1° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C5 | C6 | H8 | 109.2° | 109.5° |
| C5 | C6 | H9 | 109.2° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 109.2° | 109.4° |
| C7 | C6 | H9 | 109.2° | 109.5° |
| C6 | C7 | N3 | 110.2° | 109.5° |
| C6 | C7 | H10 | 109.3° | 109.4° |
| C6 | C7 | H11 | 109.3° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| N3 | C7 | H10 | 109.3° | 109.5° |
| N3 | C7 | H11 | 109.3° | 109.5° |
| C7 | N3 | C8 | 126.4° | 120.0° |
| C7 | N3 | H12 | 116.8° | 119.9° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| C8 | N3 | H12 | 116.8° | 120.1° |
| N3 | C8 | N4 | 121.0° | 120.0° |
| N3 | C8 | N5 | 119.0° | 120.0° |
| N4 | C8 | N5 | 120.0° | 120.0° |
| C8 | N4 | H13 | 120.0° | 120.0° |
| C8 | N4 | H14 | 120.0° | 120.0° |
| C8 | N5 | H15 | 120.0° | 120.0° |
| C8 | N5 | H16 | 120.0° | 120.0° |
| H13 | N4 | H14 | 120.0° | 120.0° |
| H15 | N5 | H16 | 120.0° | 120.0° |
| N6 | C9 | C11 | 110.5° | 110.7° |
| N6 | C9 | C10 | 113.1° | 112.9° |
| C9 | N6 | H17 | 118.6° | 118.3° |
| N6 | C9 | H18 | 107.8° | 108.3° |
| C9 | N6 | C4 | 122.7° | 123.7° |
| C9 | C11 | O3 | 121.1° | 120.3° |
| C11 | C9 | C10 | 111.6° | 110.4° |
| C11 | C9 | H18 | 107.0° | 106.8° |
| C9 | C11 | N10 | 115.7° | 118.9° |
| O3 | C11 | N10 | 123.2° | 120.8° |
| C9 | C10 | N7 | 111.6° | 109.4° |
| C10 | C9 | H18 | 106.6° | 107.5° |
| C9 | C10 | H19 | 108.9° | 110.7° |
| C9 | C10 | H20 | 108.9° | 109.0° |
| C10 | N7 | N8 | 127.2° | 123.8° |
| N7 | C10 | H19 | 108.9° | 110.6° |
| N7 | C10 | H20 | 108.9° | 108.8° |
| C10 | N7 | C48 | 127.4° | 127.2° |
| N7 | N8 | N9 | 108.9° | 105.1° |
| N7 | N8 | H21 | 109.6° | 100.7° |
| N8 | N7 | C48 | 105.2° | 108.9° |
| N9 | N8 | H21 | 109.6° | 101.0° |
| N8 | N9 | H22 | 109.3° | 124.2° |
| N8 | N9 | C47 | 110.1° | 108.8° |
| H17 | N6 | C4 | 118.7° | 118.0° |
| H19 | C10 | H20 | 109.5° | 108.4° |
| H22 | N9 | C47 | 109.3° | 127.0° |
| C12 | N10 | H23 | 119.0° | 118.8° |
| N10 | C12 | C13 | 108.5° | 110.4° |
| N10 | C12 | C14 | 109.5° | 108.8° |
| N10 | C12 | H24 | 110.2° | 109.4° |
| C12 | N10 | C11 | 122.0° | 122.0° |
| H23 | N10 | C11 | 119.0° | 119.2° |
| C13 | C12 | C14 | 110.8° | 109.4° |
| C13 | C12 | H24 | 108.9° | 109.5° |
| C12 | C13 | O4 | 120.6° | 120.0° |
| C12 | C13 | N11 | 116.2° | 119.8° |
| C14 | C12 | H24 | 108.9° | 109.3° |
| C12 | C14 | O5 | 108.2° | 109.5° |
| C12 | C14 | C15 | 111.1° | 109.5° |
| C12 | C14 | H25 | 109.1° | 109.4° |
| O4 | C13 | N11 | 123.2° | 120.2° |
| O5 | C14 | C15 | 108.9° | 109.5° |
| O5 | C14 | H25 | 110.3° | 109.5° |
| C14 | O5 | H26 | 109.5° | 114.0° |
| C15 | C14 | H25 | 109.2° | 109.4° |
| C14 | C15 | H27 | 109.5° | 109.4° |
| C14 | C15 | H28 | 109.5° | 109.5° |
| C14 | C15 | H29 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.4° |
| H27 | C15 | H29 | 109.5° | 109.4° |
| H28 | C15 | H29 | 109.4° | 109.5° |
| C16 | N11 | H30 | 118.5° | 119.1° |
| N11 | C16 | C17 | 113.6° | 110.3° |
| N11 | C16 | C18 | 108.5° | 108.8° |
| N11 | C16 | H31 | 108.1° | 109.6° |
| C16 | N11 | C13 | 122.9° | 121.2° |
| H30 | N11 | C13 | 118.5° | 119.7° |
| C17 | C16 | C18 | 111.7° | 109.4° |
| C17 | C16 | H31 | 107.3° | 109.3° |
| C16 | C17 | O6 | 120.7° | 118.8° |
| C16 | C17 | N13 | 116.3° | 120.6° |
| C18 | C16 | H31 | 107.4° | 109.5° |
| C16 | C18 | C19 | 112.1° | 109.4° |
| C16 | C18 | H32 | 108.8° | 109.4° |
| C16 | C18 | H33 | 108.8° | 109.5° |
| O6 | C17 | N13 | 123.0° | 120.6° |
| C19 | C18 | H32 | 108.8° | 109.5° |
| C19 | C18 | H33 | 108.8° | 109.4° |
| C18 | C19 | C20 | 111.7° | 109.4° |
| C18 | C19 | H34 | 108.9° | 109.5° |
| C18 | C19 | H35 | 108.9° | 109.4° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| C20 | C19 | H34 | 108.9° | 109.5° |
| C20 | C19 | H35 | 108.9° | 109.5° |
| C19 | C20 | C21 | 110.6° | 109.4° |
| C19 | C20 | H36 | 109.2° | 109.5° |
| C19 | C20 | H37 | 109.2° | 109.4° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| C21 | C20 | H36 | 109.2° | 109.5° |
| C21 | C20 | H37 | 109.2° | 109.5° |
| C20 | C21 | N12 | 113.0° | 109.4° |
| C20 | C21 | H38 | 108.6° | 109.5° |
| C20 | C21 | H39 | 108.6° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| N12 | C21 | H38 | 108.6° | 109.5° |
| N12 | C21 | H39 | 108.6° | 109.5° |
| C21 | N12 | H40 | 109.5° | 109.5° |
| C21 | N12 | H41 | 109.4° | 109.5° |
| C21 | N12 | H42 | 109.5° | 109.4° |
| H38 | C21 | H39 | 109.5° | 109.4° |
| H40 | N12 | H41 | 109.4° | 109.5° |
| H40 | N12 | H42 | 109.5° | 109.5° |
| H41 | N12 | H42 | 109.5° | 109.4° |
| C22 | N13 | H43 | 119.0° | 118.4° |
| N13 | C22 | C23 | 105.8° | 110.3° |
| N13 | C22 | C24 | 110.1° | 110.5° |
| N13 | C22 | H44 | 110.9° | 108.7° |
| C22 | N13 | C17 | 121.9° | 122.4° |
| H43 | N13 | C17 | 119.1° | 119.2° |
| C23 | C22 | C24 | 110.4° | 110.3° |
| C23 | C22 | H44 | 109.9° | 108.6° |
| C22 | C23 | O7 | 119.4° | 119.7° |
| C22 | C23 | N14 | 117.8° | 119.6° |
| C24 | C22 | H44 | 109.6° | 108.4° |
| C22 | C24 | O8 | 112.6° | 109.4° |
| C22 | C24 | H45 | 108.7° | 109.4° |
| C22 | C24 | H46 | 108.7° | 109.4° |
| O7 | C23 | N14 | 122.8° | 120.7° |
| O8 | C24 | H45 | 108.7° | 109.5° |
| O8 | C24 | H46 | 108.7° | 109.4° |
| C24 | O8 | H47 | 109.5° | 114.0° |
| H45 | C24 | H46 | 109.5° | 109.5° |
| C25 | N14 | H48 | 120.0° | 119.6° |
| N14 | C25 | C26 | 111.3° | 109.5° |
| N14 | C25 | C27 | 113.5° | 108.8° |
| N14 | C25 | H49 | 107.6° | 110.2° |
| C25 | N14 | C23 | 120.0° | 121.2° |
| H48 | N14 | C23 | 120.0° | 119.2° |
| C26 | C25 | C27 | 111.1° | 108.6° |
| C26 | C25 | H49 | 106.6° | 110.0° |
| C25 | C26 | O9 | 120.4° | 119.2° |
| C25 | C26 | N15 | 118.0° | 121.2° |
| C27 | C25 | H49 | 106.3° | 109.7° |
| C25 | C27 | C28 | 112.0° | 109.5° |
| C25 | C27 | C29 | 109.9° | 109.5° |
| C25 | C27 | H50 | 107.9° | 109.4° |
| O9 | C26 | N15 | 121.6° | 119.5° |
| C28 | C27 | C29 | 110.4° | 109.4° |
| C28 | C27 | H50 | 108.2° | 109.5° |
| C27 | C28 | C30 | 114.2° | 109.5° |
| C27 | C28 | H51 | 108.3° | 109.5° |
| C27 | C28 | H52 | 108.3° | 109.5° |
| C29 | C27 | H50 | 108.4° | 109.5° |
| C27 | C29 | H53 | 109.5° | 109.5° |
| C27 | C29 | H54 | 109.5° | 109.5° |
| C27 | C29 | H55 | 109.4° | 109.5° |
| C30 | C28 | H51 | 108.3° | 109.4° |
| C30 | C28 | H52 | 108.3° | 109.5° |
| C28 | C30 | H56 | 109.5° | 109.4° |
| C28 | C30 | H57 | 109.5° | 109.4° |
| C28 | C30 | H58 | 109.5° | 109.5° |
| H51 | C28 | H52 | 109.5° | 109.5° |
| H53 | C29 | H54 | 109.4° | 109.4° |
| H53 | C29 | H55 | 109.5° | 109.5° |
| H54 | C29 | H55 | 109.5° | 109.5° |
| H56 | C30 | H57 | 109.5° | 109.5° |
| H56 | C30 | H58 | 109.5° | 109.4° |
| H57 | C30 | H58 | 109.4° | 109.5° |
| C31 | N15 | C35 | 111.7° | 108.7° |
| N15 | C31 | C32 | 111.7° | 110.5° |
| N15 | C31 | C33 | 102.9° | 107.4° |
| N15 | C31 | H59 | 111.0° | 107.0° |
| C31 | N15 | C26 | 123.7° | 125.4° |
| N15 | C35 | C34 | 103.9° | 107.9° |
| N15 | C35 | H64 | 110.9° | 109.6° |
| N15 | C35 | H65 | 110.8° | 110.3° |
| C35 | N15 | C26 | 124.6° | 125.9° |
| C32 | C31 | C33 | 110.7° | 115.3° |
| C32 | C31 | H59 | 110.0° | 108.5° |
| C31 | C32 | O10 | 120.4° | 115.7° |
| C31 | C32 | N16 | 117.9° | 130.0° |
| C33 | C31 | H59 | 110.2° | 107.9° |
| C31 | C33 | C34 | 104.5° | 106.4° |
| C31 | C33 | H60 | 110.7° | 112.1° |
| C31 | C33 | H61 | 110.7° | 109.7° |
| O10 | C32 | N16 | 121.7° | 114.3° |
| C34 | C33 | H60 | 110.7° | 110.0° |
| C34 | C33 | H61 | 110.7° | 109.1° |
| C33 | C34 | C35 | 106.4° | 105.7° |
| C33 | C34 | H62 | 110.3° | 109.9° |
| C33 | C34 | H63 | 110.2° | 110.2° |
| H60 | C33 | H61 | 109.4° | 109.5° |
| C35 | C34 | H62 | 110.2° | 110.4° |
| C35 | C34 | H63 | 110.2° | 110.1° |
| C34 | C35 | H64 | 110.8° | 109.3° |
| C34 | C35 | H65 | 110.8° | 110.2° |
| H62 | C34 | H63 | 109.5° | 110.4° |
| H64 | C35 | H65 | 109.5° | 109.4° |
| C36 | N16 | C40 | 111.6° | 109.0° |
| N16 | C36 | C37 | 113.0° | 110.0° |
| N16 | C36 | C38 | 103.6° | 107.9° |
| N16 | C36 | H66 | 110.3° | 109.8° |
| C36 | N16 | C32 | 122.2° | 122.1° |
| N16 | C40 | C39 | 103.3° | 108.6° |
| N16 | C40 | H71 | 111.0° | 110.1° |
| N16 | C40 | H72 | 111.0° | 110.0° |
| C40 | N16 | C32 | 126.2° | 129.0° |
| C37 | C36 | C38 | 111.1° | 109.3° |
| C37 | C36 | H66 | 109.3° | 110.1° |
| C36 | C37 | O11 | 121.6° | 119.2° |
| C36 | C37 | N17 | 115.4° | 120.8° |
| C38 | C36 | H66 | 109.3° | 109.6° |
| C36 | C38 | C39 | 104.6° | 104.5° |
| C36 | C38 | H67 | 110.7° | 110.4° |
| C36 | C38 | H68 | 110.7° | 110.6° |
| O11 | C37 | N17 | 122.9° | 120.0° |
| C39 | C38 | H67 | 110.7° | 110.4° |
| C39 | C38 | H68 | 110.6° | 110.4° |
| C38 | C39 | C40 | 105.5° | 105.2° |
| C38 | C39 | H69 | 110.5° | 110.1° |
| C38 | C39 | H70 | 110.5° | 110.3° |
| H67 | C38 | H68 | 109.5° | 110.4° |
| C40 | C39 | H69 | 110.4° | 110.2° |
| C40 | C39 | H70 | 110.4° | 110.5° |
| C39 | C40 | H71 | 111.0° | 109.1° |
| C39 | C40 | H72 | 111.0° | 109.0° |
| H69 | C39 | H70 | 109.5° | 110.4° |
| H71 | C40 | H72 | 109.5° | 110.1° |
| C41 | N17 | H73 | 118.7° | 120.3° |
| N17 | C41 | C42 | 109.6° | 111.5° |
| N17 | C41 | C43 | 110.8° | 109.1° |
| N17 | C41 | H74 | 109.5° | 109.7° |
| C41 | N17 | C37 | 122.7° | 119.9° |
| H73 | N17 | C37 | 118.7° | 119.8° |
| C42 | C41 | C43 | 111.5° | 108.5° |
| C42 | C41 | H74 | 107.8° | 109.0° |
| C41 | C42 | O12 | 121.0° | 119.1° |
| C41 | C42 | N18 | 116.1° | 120.8° |
| C43 | C41 | H74 | 107.6° | 109.1° |
| C41 | C43 | C44 | 112.0° | 109.5° |
| C41 | C43 | C45 | 110.4° | 109.4° |
| C41 | C43 | H75 | 107.7° | 109.5° |
| O12 | C42 | N18 | 122.7° | 120.1° |
| C44 | C43 | C45 | 111.1° | 109.5° |
| C44 | C43 | H75 | 107.6° | 109.5° |
| C43 | C44 | C46 | 114.2° | 109.5° |
| C43 | C44 | H76 | 108.3° | 109.5° |
| C43 | C44 | H77 | 108.3° | 109.5° |
| C45 | C43 | H75 | 107.8° | 109.5° |
| C43 | C45 | H78 | 109.5° | 109.5° |
| C43 | C45 | H79 | 109.5° | 109.4° |
| C43 | C45 | H80 | 109.4° | 109.5° |
| C46 | C44 | H76 | 108.3° | 109.5° |
| C46 | C44 | H77 | 108.3° | 109.5° |
| C44 | C46 | H81 | 109.5° | 109.5° |
| C44 | C46 | H82 | 109.4° | 109.4° |
| C44 | C46 | H83 | 109.5° | 109.5° |
| H76 | C44 | H77 | 109.5° | 109.5° |
| H78 | C45 | H79 | 109.5° | 109.4° |
| H78 | C45 | H80 | 109.5° | 109.5° |
| H79 | C45 | H80 | 109.5° | 109.4° |
| H81 | C46 | H82 | 109.5° | 109.5° |
| H81 | C46 | H83 | 109.5° | 109.5° |
| H82 | C46 | H83 | 109.5° | 109.4° |
| C48 | C47 | H84 | 125.9° | 126.1° |
| C47 | C48 | C49 | 125.9° | 126.3° |
| C47 | C48 | N7 | 107.6° | 108.3° |
| C48 | C47 | N9 | 108.1° | 108.7° |
| H84 | C47 | N9 | 126.0° | 125.2° |
| C48 | C49 | C50 | 114.4° | 110.6° |
| C48 | C49 | H85 | 108.2° | 109.4° |
| C48 | C49 | H86 | 108.2° | 108.6° |
| C49 | C48 | N7 | 126.4° | 125.5° |
| C50 | C49 | H85 | 108.2° | 110.0° |
| C50 | C49 | H86 | 108.2° | 109.3° |
| C49 | C50 | C51 | 111.1° | 111.0° |
| C49 | C50 | N18 | 113.4° | 110.6° |
| C49 | C50 | H87 | 106.3° | 107.9° |
| H85 | C49 | H86 | 109.5° | 108.8° |
| C51 | C50 | N18 | 111.6° | 112.9° |
| C51 | C50 | H87 | 106.6° | 107.4° |
| C50 | C51 | O13 | 121.7° | 119.4° |
| C50 | C51 | N19 | 114.4° | 120.8° |
| N18 | C50 | H87 | 107.5° | 106.9° |
| C50 | N18 | H88 | 119.6° | 118.4° |
| C50 | N18 | C42 | 120.8° | 123.4° |
| O13 | C51 | N19 | 123.9° | 119.8° |
| H88 | N18 | C42 | 119.6° | 118.2° |
| C52 | N19 | H89 | 117.7° | 118.7° |
| N19 | C52 | C53 | 107.4° | 110.4° |
| N19 | C52 | C54 | 109.0° | 107.8° |
| N19 | C52 | H90 | 110.8° | 109.7° |
| C52 | N19 | C51 | 124.6° | 121.2° |
| H89 | N19 | C51 | 117.7° | 120.1° |
| C53 | C52 | C54 | 111.0° | 109.6° |
| C53 | C52 | H90 | 109.4° | 109.8° |
| C52 | C53 | O14 | 119.6° | 120.0° |
| C52 | C53 | N20 | 118.3° | 120.5° |
| C54 | C52 | H90 | 109.3° | 109.5° |
| C52 | C54 | C55 | 113.5° | 109.5° |
| C52 | C54 | H91 | 108.4° | 109.4° |
| C52 | C54 | H92 | 108.4° | 109.5° |
| O14 | C53 | N20 | 122.0° | 119.5° |
| C55 | C54 | H91 | 108.5° | 109.5° |
| C55 | C54 | H92 | 108.5° | 109.5° |
| C54 | C55 | C56 | 120.6° | 120.0° |
| C54 | C55 | C57 | 120.8° | 120.0° |
| H91 | C54 | H92 | 109.5° | 109.5° |
| C56 | C55 | C57 | 118.6° | 120.0° |
| C55 | C56 | C58 | 121.0° | 120.0° |
| C55 | C56 | H93 | 119.5° | 120.0° |
| C55 | C57 | C59 | 120.8° | 120.0° |
| C55 | C57 | H94 | 119.6° | 120.0° |
| C58 | C56 | H93 | 119.5° | 119.9° |
| C56 | C58 | C60 | 119.9° | 120.0° |
| C56 | C58 | H95 | 120.0° | 120.0° |
| C59 | C57 | H94 | 119.6° | 120.0° |
| C57 | C59 | C60 | 119.9° | 120.0° |
| C57 | C59 | H96 | 120.0° | 120.0° |
| C60 | C58 | H95 | 120.1° | 119.9° |
| C58 | C60 | C59 | 119.8° | 120.0° |
| C58 | C60 | H97 | 120.1° | 120.1° |
| C60 | C59 | H96 | 120.0° | 120.0° |
| C59 | C60 | H97 | 120.1° | 120.0° |
| C61 | N20 | C65 | 111.3° | 108.8° |
| N20 | C61 | C62 | 114.2° | 111.0° |
| N20 | C61 | C63 | 103.7° | 107.5° |
| N20 | C61 | H98 | 109.8° | 110.6° |
| C61 | N20 | C53 | 123.5° | 124.8° |
| N20 | C65 | C64 | 103.4° | 108.0° |
| N20 | C65 | H103 | 110.9° | 110.1° |
| N20 | C65 | H104 | 111.0° | 110.0° |
| C65 | N20 | C53 | 125.2° | 126.4° |
| C62 | C61 | C63 | 110.6° | 108.7° |
| C62 | C61 | H98 | 109.2° | 109.6° |
| C61 | C62 | O15 | 120.9° | 119.5° |
| C61 | C62 | N21 | 116.2° | 119.1° |
| C63 | C61 | H98 | 109.2° | 109.4° |
| C61 | C63 | C64 | 104.8° | 105.1° |
| C61 | C63 | H99 | 110.6° | 110.8° |
| C61 | C63 | H100 | 110.7° | 110.2° |
| O15 | C62 | N21 | 122.8° | 121.4° |
| C64 | C63 | H99 | 110.6° | 110.4° |
| C64 | C63 | H100 | 110.6° | 110.1° |
| C63 | C64 | C65 | 106.0° | 106.4° |
| C63 | C64 | H101 | 110.3° | 110.0° |
| C63 | C64 | H102 | 110.3° | 110.2° |
| H99 | C63 | H100 | 109.4° | 110.1° |
| C65 | C64 | H101 | 110.3° | 110.1° |
| C65 | C64 | H102 | 110.3° | 110.1° |
| C64 | C65 | H103 | 111.0° | 109.6° |
| C64 | C65 | H104 | 111.0° | 109.1° |
| H101 | C64 | H102 | 109.5° | 110.0° |
| H103 | C65 | H104 | 109.5° | 110.0° |
| C66 | N21 | H105 | 119.0° | 118.0° |
| N21 | C66 | C67 | 111.3° | 111.1° |
| N21 | C66 | C68 | 111.8° | 110.5° |
| N21 | C66 | H106 | 108.4° | 108.1° |
| C66 | N21 | C62 | 122.0° | 124.0° |
| H105 | N21 | C62 | 119.0° | 117.9° |
| C67 | C66 | C68 | 110.3° | 110.7° |
| C67 | C66 | H106 | 107.5° | 108.1° |
| C66 | C67 | O16 | 120.3° | 119.0° |
| C66 | C67 | N1 | 117.1° | 122.2° |
| C68 | C66 | H106 | 107.5° | 108.1° |
| C66 | C68 | C69 | 113.0° | 109.5° |
| C66 | C68 | H107 | 108.6° | 109.5° |
| C66 | C68 | H108 | 108.6° | 109.5° |
| O16 | C67 | N1 | 122.6° | 118.8° |
| C69 | C68 | H107 | 108.5° | 109.4° |
| C69 | C68 | H108 | 108.6° | 109.5° |
| C68 | C69 | O17 | 119.4° | 120.0° |
| C68 | C69 | O18 | 119.0° | 120.0° |
| H107 | C68 | H108 | 109.5° | 109.5° |
| O17 | C69 | O18 | 121.6° | 120.0° |
| C69 | O18 | H109 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C67 | 180.0° | 179.7° |
| N1 | C1 | C2 | H2 | 120.7° | 120.4° |
| N1 | C1 | C2 | H3 | 120.7° | 119.3° |
| N1 | C1 | H2 | H3 | 118.0° | 120.0° |
| N1 | C1 | C2 | O1 | 167.7° | 83.7° |
| C1 | N1 | C67 | C66 | 175.1° | 178.4° |
| C1 | N1 | C67 | O16 | 5.8° | 1.2° |
| N1 | C1 | C2 | N2 | 12.4° | 96.2° |
| H1 | N1 | C1 | C2 | 56.1° | 16.0° |
| H1 | N1 | C1 | H2 | 64.6° | 136.2° |
| H1 | N1 | C1 | H3 | 176.7° | 103.3° |
| H1 | N1 | C67 | C66 | 4.9° | 2.0° |
| H1 | N1 | C67 | O16 | 174.2° | 178.5° |
| C2 | C1 | H2 | H3 | 118.0° | 120.0° |
| C1 | C2 | O1 | N2 | 179.9° | 179.9° |
| C1 | C2 | N2 | C3 | 179.3° | 177.3° |
| C1 | C2 | N2 | H4 | 0.7° | 3.1° |
| C2 | C1 | N1 | C67 | 123.9° | 163.7° |
| H2 | C1 | C2 | O1 | 47.0° | 155.9° |
| H2 | C1 | N1 | C67 | 115.4° | 43.5° |
| H2 | C1 | C2 | N2 | 133.1° | 24.1° |
| H3 | C1 | C2 | O1 | 71.6° | 35.6° |
| H3 | C1 | N1 | C67 | 3.2° | 77.0° |
| H3 | C1 | C2 | N2 | 108.3° | 144.5° |
| O1 | C2 | N2 | C3 | 0.5° | 2.8° |
| O1 | C2 | N2 | H4 | 179.4° | 176.9° |
| C3 | N2 | H4 | C2 | 180.0° | 179.6° |
| N2 | C3 | C4 | C5 | 122.4° | 119.9° |
| N2 | C3 | C4 | H5 | 119.9° | 120.2° |
| N2 | C3 | C5 | H5 | 119.4° | 120.6° |
| N2 | C3 | C4 | O2 | 67.9° | 48.0° |
| N2 | C3 | C5 | C6 | 67.5° | 65.0° |
| N2 | C3 | C5 | H6 | 53.2° | 55.0° |
| N2 | C3 | C5 | H7 | 171.7° | 175.0° |
| N2 | C3 | C4 | N6 | 110.6° | 131.5° |
| H4 | N2 | C3 | C4 | 93.9° | 22.5° |
| H4 | N2 | C3 | C5 | 27.7° | 97.0° |
| H4 | N2 | C3 | H5 | 146.7° | 142.4° |
| C4 | C3 | C5 | H5 | 117.7° | 119.6° |
| C3 | C4 | O2 | N6 | 178.4° | 179.5° |
| C4 | C3 | C5 | C6 | 169.6° | 175.3° |
| C4 | C3 | C5 | H6 | 69.6° | 64.7° |
| C4 | C3 | C5 | H7 | 48.9° | 55.3° |
| C3 | C4 | N6 | C9 | 175.4° | 174.6° |
| C3 | C4 | N6 | H17 | 4.6° | 5.4° |
| C4 | C3 | N2 | C2 | 86.1° | 157.9° |
| C5 | C3 | C4 | O2 | 54.4° | 71.9° |
| C3 | C5 | C6 | H6 | 120.8° | 120.0° |
| C3 | C5 | C6 | H7 | 120.8° | 120.0° |
| C3 | C5 | H6 | H7 | 117.6° | 120.0° |
| C3 | C5 | C6 | C7 | 169.0° | 180.0° |
| C3 | C5 | C6 | H8 | 70.9° | 60.0° |
| C3 | C5 | C6 | H9 | 48.8° | 60.0° |
| C5 | C3 | N2 | C2 | 152.4° | 82.6° |
| C5 | C3 | C4 | N6 | 127.0° | 108.6° |
| H5 | C3 | C4 | O2 | 172.2° | 168.2° |
| H5 | C3 | C5 | C6 | 51.9° | 55.7° |
| H5 | C3 | C5 | H6 | 172.7° | 175.7° |
| H5 | C3 | C5 | H7 | 68.9° | 64.3° |
| H5 | C3 | N2 | C2 | 33.4° | 38.0° |
| H5 | C3 | C4 | N6 | 9.3° | 11.3° |
| O2 | C4 | N6 | C9 | 6.1° | 5.9° |
| O2 | C4 | N6 | H17 | 173.9° | 174.1° |
| C6 | C5 | H6 | H7 | 117.6° | 120.0° |
| C5 | C6 | C7 | H8 | 120.2° | 120.0° |
| C5 | C6 | C7 | H9 | 120.1° | 120.1° |
| C5 | C6 | H8 | H9 | 119.5° | 120.0° |
| C5 | C6 | C7 | N3 | 63.7° | 180.0° |
| C5 | C6 | C7 | H10 | 56.4° | 60.0° |
| C5 | C6 | C7 | H11 | 176.2° | 59.9° |
| H6 | C5 | C6 | C7 | 48.2° | 60.0° |
| H6 | C5 | C6 | H8 | 168.4° | 180.0° |
| H6 | C5 | C6 | H9 | 72.0° | 60.0° |
| H7 | C5 | C6 | C7 | 70.3° | 60.0° |
| H7 | C5 | C6 | H8 | 49.9° | 60.0° |
| H7 | C5 | C6 | H9 | 169.6° | 179.9° |
| C7 | C6 | H8 | H9 | 119.5° | 120.0° |
| C6 | C7 | N3 | H10 | 120.1° | 120.0° |
| C6 | C7 | N3 | H11 | 120.1° | 120.1° |
| C6 | C7 | H10 | H11 | 119.7° | 120.0° |
| C6 | C7 | N3 | C8 | 149.2° | 180.0° |
| C6 | C7 | N3 | H12 | 30.8° | 0.0° |
| H8 | C6 | C7 | N3 | 176.2° | 60.0° |
| H8 | C6 | C7 | H10 | 63.7° | 180.0° |
| H8 | C6 | C7 | H11 | 56.0° | 60.1° |
| H9 | C6 | C7 | N3 | 56.5° | 60.0° |
| H9 | C6 | C7 | H10 | 176.6° | 60.1° |
| H9 | C6 | C7 | H11 | 63.6° | 180.0° |
| N3 | C7 | H10 | H11 | 119.7° | 120.0° |
| C7 | N3 | C8 | H12 | 180.0° | 180.0° |
| C7 | N3 | C8 | N4 | 10.3° | 0.0° |
| C7 | N3 | C8 | N5 | 172.7° | 180.0° |
| H10 | C7 | N3 | C8 | 29.1° | 60.0° |
| H10 | C7 | N3 | H12 | 150.9° | 120.0° |
| H11 | C7 | N3 | C8 | 90.7° | 60.0° |
| H11 | C7 | N3 | H12 | 89.3° | 120.1° |
| N3 | C8 | N4 | N5 | 177.0° | 179.9° |
| N3 | C8 | N4 | H13 | 177.0° | 0.1° |
| N3 | C8 | N4 | H14 | 3.0° | 179.9° |
| N3 | C8 | N5 | H15 | 177.1° | 180.0° |
| N3 | C8 | N5 | H16 | 2.9° | 0.0° |
| H12 | N3 | C8 | N4 | 169.7° | 180.0° |
| H12 | N3 | C8 | N5 | 7.3° | 0.0° |
| C8 | N4 | H13 | H14 | 180.0° | 179.9° |
| N4 | C8 | N5 | H15 | 0.0° | 0.1° |
| N4 | C8 | N5 | H16 | 180.0° | 180.0° |
| N5 | C8 | N4 | H13 | 0.0° | 180.0° |
| N5 | C8 | N4 | H14 | 180.0° | 0.1° |
| C8 | N5 | H15 | H16 | 180.0° | 180.0° |
| N6 | C9 | C11 | C10 | 126.7° | 125.8° |
| N6 | C9 | C11 | H18 | 117.0° | 117.7° |
| N6 | C9 | C11 | O3 | 76.6° | 6.3° |
| N6 | C9 | C10 | H18 | 118.2° | 119.4° |
| N6 | C9 | C10 | N7 | 166.0° | 61.6° |
| C9 | N6 | H17 | C4 | 180.0° | 180.0° |
| N6 | C9 | C10 | H19 | 45.7° | 60.5° |
| N6 | C9 | C10 | H20 | 73.6° | 179.5° |
| N6 | C9 | C11 | N10 | 102.5° | 173.7° |
| C9 | C11 | O3 | N10 | 179.0° | 180.0° |
| C11 | C9 | C10 | H18 | 116.5° | 116.1° |
| C11 | C9 | C10 | N7 | 68.7° | 173.9° |
| C11 | C9 | N6 | H17 | 42.1° | 68.7° |
| C11 | C9 | C10 | H19 | 171.0° | 64.0° |
| C11 | C9 | C10 | H20 | 51.7° | 55.0° |
| C9 | C11 | N10 | C12 | 179.6° | 177.6° |
| C9 | C11 | N10 | H23 | 0.4° | 2.2° |
| C11 | C9 | N6 | C4 | 137.9° | 111.2° |
| O3 | C11 | C9 | C10 | 50.1° | 119.5° |
| O3 | C11 | C9 | H18 | 166.4° | 124.0° |
| O3 | C11 | N10 | C12 | 0.6° | 2.4° |
| O3 | C11 | N10 | H23 | 179.5° | 177.8° |
| C9 | C10 | N7 | H19 | 120.3° | 122.2° |
| C9 | C10 | N7 | H20 | 120.3° | 118.9° |
| C9 | C10 | N7 | N8 | 83.0° | 17.2° |
| C10 | C9 | N6 | H17 | 83.8° | 166.9° |
| C9 | C10 | H19 | H20 | 119.0° | 119.4° |
| C10 | C9 | N6 | C4 | 96.2° | 13.1° |
| C10 | C9 | C11 | N10 | 130.8° | 60.5° |
| C9 | C10 | N7 | C48 | 90.9° | 162.7° |
| C10 | N7 | N8 | C48 | 175.0° | 179.9° |
| C10 | N7 | N8 | N9 | 174.6° | 177.1° |
| N7 | C10 | C9 | H18 | 47.8° | 57.8° |
| N7 | C10 | H19 | H20 | 119.0° | 119.2° |
| C10 | N7 | N8 | H21 | 65.5° | 72.4° |
| C10 | N7 | C48 | C47 | 174.4° | 178.7° |
| C10 | N7 | C48 | C49 | 2.8° | 0.8° |
| N7 | N8 | N9 | H21 | 119.9° | 104.5° |
| N8 | N7 | C10 | H19 | 156.7° | 139.4° |
| N8 | N7 | C10 | H20 | 37.3° | 101.7° |
| N7 | N8 | N9 | H22 | 120.1° | 176.1° |
| N8 | N7 | C48 | C47 | 0.5° | 1.4° |
| N8 | N7 | C48 | C49 | 177.8° | 179.1° |
| N7 | N8 | N9 | C47 | 0.0° | 3.5° |
| N8 | N9 | H22 | C47 | 120.6° | 179.5° |
| N8 | N9 | C47 | C48 | 0.3° | 2.7° |
| N8 | N9 | C47 | H84 | 179.7° | 177.3° |
| N9 | N8 | N7 | C48 | 0.4° | 3.0° |
| H17 | N6 | C9 | H18 | 158.6° | 48.0° |
| H18 | C9 | C10 | H19 | 72.5° | 179.9° |
| H18 | C9 | C10 | H20 | 168.1° | 61.1° |
| H18 | C9 | N6 | C4 | 21.3° | 132.0° |
| H18 | C9 | C11 | N10 | 14.5° | 56.1° |
| H19 | C10 | N7 | C48 | 29.4° | 40.5° |
| H20 | C10 | N7 | C48 | 148.8° | 78.4° |
| H21 | N8 | N9 | H22 | 0.2° | 71.6° |
| H21 | N8 | N7 | C48 | 119.5° | 107.7° |
| H21 | N8 | N9 | C47 | 119.9° | 107.9° |
| H22 | N9 | C47 | C48 | 119.8° | 176.8° |
| H22 | N9 | C47 | H84 | 60.3° | 3.2° |
| C12 | N10 | H23 | C11 | 180.0° | 179.8° |
| N10 | C12 | C13 | C14 | 120.3° | 119.7° |
| N10 | C12 | C13 | H24 | 120.0° | 120.5° |
| N10 | C12 | C14 | H24 | 120.6° | 119.4° |
| N10 | C12 | C13 | O4 | 49.6° | 1.8° |
| N10 | C12 | C14 | O5 | 48.1° | 65.0° |
| N10 | C12 | C14 | C15 | 167.6° | 55.1° |
| N10 | C12 | C14 | H25 | 72.0° | 175.0° |
| N10 | C12 | C13 | N11 | 129.9° | 178.1° |
| H23 | N10 | C12 | C13 | 96.8° | 90.5° |
| H23 | N10 | C12 | C14 | 24.2° | 29.5° |
| H23 | N10 | C12 | H24 | 144.0° | 148.9° |
| C13 | C12 | C14 | H24 | 119.7° | 119.9° |
| C12 | C13 | O4 | N11 | 179.5° | 179.8° |
| C13 | C12 | C14 | O5 | 167.8° | 55.6° |
| C13 | C12 | C14 | C15 | 72.7° | 175.7° |
| C13 | C12 | C14 | H25 | 47.7° | 64.4° |
| C12 | C13 | N11 | C16 | 173.3° | 175.0° |
| C12 | C13 | N11 | H30 | 6.7° | 4.9° |
| C13 | C12 | N10 | C11 | 83.2° | 89.7° |
| C14 | C12 | C13 | O4 | 70.7° | 121.4° |
| C12 | C14 | O5 | C15 | 120.9° | 120.1° |
| C12 | C14 | O5 | H25 | 119.3° | 120.0° |
| C12 | C14 | C15 | H25 | 120.4° | 120.0° |
| C12 | C14 | O5 | H26 | 180.0° | 60.0° |
| C12 | C14 | C15 | H27 | 180.0° | 60.0° |
| C12 | C14 | C15 | H28 | 60.0° | 180.0° |
| C12 | C14 | C15 | H29 | 60.0° | 59.9° |
| C14 | C12 | N10 | C11 | 155.8° | 150.3° |
| C14 | C12 | C13 | N11 | 109.8° | 58.4° |
| H24 | C12 | C13 | O4 | 169.6° | 118.7° |
| H24 | C12 | C14 | O5 | 72.5° | 175.6° |
| H24 | C12 | C14 | C15 | 47.0° | 64.4° |
| H24 | C12 | C14 | H25 | 167.4° | 55.6° |
| H24 | C12 | N10 | C11 | 36.0° | 30.9° |
| H24 | C12 | C13 | N11 | 9.9° | 61.4° |
| O4 | C13 | N11 | C16 | 6.2° | 5.2° |
| O4 | C13 | N11 | H30 | 173.8° | 174.9° |
| O5 | C14 | C15 | H25 | 120.5° | 120.0° |
| O5 | C14 | C15 | H27 | 61.0° | 60.0° |
| O5 | C14 | C15 | H28 | 179.0° | 59.9° |
| O5 | C14 | C15 | H29 | 59.0° | 180.0° |
| C15 | C14 | O5 | H26 | 59.1° | 180.0° |
| C14 | C15 | H27 | H28 | 120.0° | 120.0° |
| C14 | C15 | H27 | H29 | 120.0° | 120.0° |
| C14 | C15 | H28 | H29 | 120.0° | 120.1° |
| H25 | C14 | O5 | H26 | 60.7° | 60.0° |
| H25 | C14 | C15 | H27 | 59.6° | 180.0° |
| H25 | C14 | C15 | H28 | 60.4° | 60.0° |
| H25 | C14 | C15 | H29 | 179.6° | 60.0° |
| H27 | C15 | H28 | H29 | 120.0° | 119.9° |
| C16 | N11 | H30 | C13 | 180.0° | 179.9° |
| N11 | C16 | C17 | C18 | 123.1° | 119.6° |
| N11 | C16 | C17 | H31 | 119.4° | 120.5° |
| N11 | C16 | C18 | H31 | 116.6° | 119.8° |
| N11 | C16 | C17 | O6 | 175.3° | 13.8° |
| N11 | C16 | C18 | C19 | 61.7° | 65.0° |
| N11 | C16 | C18 | H32 | 58.7° | 55.0° |
| N11 | C16 | C18 | H33 | 177.9° | 175.0° |
| N11 | C16 | C17 | N13 | 5.6° | 167.1° |
| H30 | N11 | C16 | C17 | 94.2° | 71.1° |
| H30 | N11 | C16 | C18 | 30.8° | 48.8° |
| H30 | N11 | C16 | H31 | 146.9° | 168.5° |
| C17 | C16 | C18 | H31 | 117.4° | 119.7° |
| C16 | C17 | O6 | N13 | 179.0° | 179.0° |
| C17 | C16 | C18 | C19 | 172.3° | 174.5° |
| C17 | C16 | C18 | H32 | 67.3° | 65.5° |
| C17 | C16 | C18 | H33 | 51.9° | 54.5° |
| C16 | C17 | N13 | C22 | 176.2° | 172.0° |
| C16 | C17 | N13 | H43 | 3.8° | 8.7° |
| C17 | C16 | N11 | C13 | 85.8° | 109.0° |
| C18 | C16 | C17 | O6 | 52.2° | 133.5° |
| C16 | C18 | C19 | H32 | 120.4° | 120.0° |
| C16 | C18 | C19 | H33 | 120.4° | 120.0° |
| C16 | C18 | H32 | H33 | 118.8° | 120.0° |
| C16 | C18 | C19 | C20 | 165.7° | 180.0° |
| C16 | C18 | C19 | H34 | 73.9° | 60.0° |
| C16 | C18 | C19 | H35 | 45.4° | 60.0° |
| C18 | C16 | N11 | C13 | 149.3° | 131.0° |
| C18 | C16 | C17 | N13 | 128.7° | 47.5° |
| H31 | C16 | C17 | O6 | 65.3° | 106.7° |
| H31 | C16 | C18 | C19 | 55.0° | 54.8° |
| H31 | C16 | C18 | H32 | 175.4° | 174.8° |
| H31 | C16 | C18 | H33 | 65.4° | 65.2° |
| H31 | C16 | N11 | C13 | 33.1° | 11.4° |
| H31 | C16 | C17 | N13 | 113.8° | 72.3° |
| O6 | C17 | N13 | C22 | 2.9° | 9.0° |
| O6 | C17 | N13 | H43 | 177.1° | 170.3° |
| C19 | C18 | H32 | H33 | 118.8° | 120.0° |
| C18 | C19 | C20 | H34 | 120.3° | 120.0° |
| C18 | C19 | C20 | H35 | 120.3° | 120.0° |
| C18 | C19 | H34 | H35 | 119.0° | 120.0° |
| C18 | C19 | C20 | C21 | 177.8° | 180.0° |
| C18 | C19 | C20 | H36 | 62.0° | 60.0° |
| C18 | C19 | C20 | H37 | 57.7° | 60.0° |
| H32 | C18 | C19 | C20 | 45.4° | 60.0° |
| H32 | C18 | C19 | H34 | 165.7° | NaN° |
| H32 | C18 | C19 | H35 | 75.0° | 60.0° |
| H33 | C18 | C19 | C20 | 73.9° | 60.0° |
| H33 | C18 | C19 | H34 | 46.5° | 60.0° |
| H33 | C18 | C19 | H35 | 165.8° | 180.0° |
| C20 | C19 | H34 | H35 | 119.0° | 120.0° |
| C19 | C20 | C21 | H36 | 120.2° | 120.0° |
| C19 | C20 | C21 | H37 | 120.2° | 119.9° |
| C19 | C20 | H36 | H37 | 119.5° | 120.0° |
| C19 | C20 | C21 | N12 | 179.2° | 180.0° |
| C19 | C20 | C21 | H38 | 58.7° | 59.9° |
| C19 | C20 | C21 | H39 | 60.2° | 60.0° |
| H34 | C19 | C20 | C21 | 57.5° | 60.0° |
| H34 | C19 | C20 | H36 | 177.7° | NaN° |
| H34 | C19 | C20 | H37 | 62.7° | 60.0° |
| H35 | C19 | C20 | C21 | 61.8° | 60.0° |
| H35 | C19 | C20 | H36 | 58.3° | 60.0° |
| H35 | C19 | C20 | H37 | 178.0° | 180.0° |
| C21 | C20 | H36 | H37 | 119.5° | 120.1° |
| C20 | C21 | N12 | H38 | 120.5° | 120.0° |
| C20 | C21 | N12 | H39 | 120.5° | 120.0° |
| C20 | C21 | H38 | H39 | 118.4° | 120.0° |
| C20 | C21 | N12 | H40 | 180.0° | 60.0° |
| C20 | C21 | N12 | H41 | 60.0° | 60.1° |
| C20 | C21 | N12 | H42 | 60.0° | 180.0° |
| H36 | C20 | C21 | N12 | 60.6° | 60.0° |
| H36 | C20 | C21 | H38 | 178.9° | 180.0° |
| H36 | C20 | C21 | H39 | 59.9° | 60.0° |
| H37 | C20 | C21 | N12 | 59.0° | 60.1° |
| H37 | C20 | C21 | H38 | 61.5° | 60.0° |
| H37 | C20 | C21 | H39 | 179.6° | 179.9° |
| N12 | C21 | H38 | H39 | 118.4° | 120.0° |
| C21 | N12 | H40 | H41 | 120.0° | 120.1° |
| C21 | N12 | H40 | H42 | 120.0° | 120.0° |
| C21 | N12 | H41 | H42 | 120.0° | 119.9° |
| H38 | C21 | N12 | H40 | 59.5° | 179.9° |
| H38 | C21 | N12 | H41 | 179.5° | 60.0° |
| H38 | C21 | N12 | H42 | 60.5° | 59.9° |
| H39 | C21 | N12 | H40 | 59.4° | 59.9° |
| H39 | C21 | N12 | H41 | 60.5° | 180.0° |
| H39 | C21 | N12 | H42 | 179.5° | 60.1° |
| H40 | N12 | H41 | H42 | 120.0° | 120.0° |
| C22 | N13 | H43 | C17 | 180.0° | 179.3° |
| N13 | C22 | C23 | C24 | 119.1° | 122.4° |
| N13 | C22 | C23 | H44 | 119.9° | 119.0° |
| N13 | C22 | C24 | H44 | 122.3° | 119.0° |
| N13 | C22 | C23 | O7 | 37.4° | 119.1° |
| N13 | C22 | C24 | O8 | 172.7° | 65.0° |
| N13 | C22 | C24 | H45 | 52.3° | 55.0° |
| N13 | C22 | C24 | H46 | 66.8° | 175.1° |
| N13 | C22 | C23 | N14 | 141.9° | 61.1° |
| H43 | N13 | C22 | C23 | 102.5° | 114.7° |
| H43 | N13 | C22 | C24 | 16.8° | 123.0° |
| H43 | N13 | C22 | H44 | 138.3° | 4.2° |
| C23 | C22 | C24 | H44 | 121.3° | 118.8° |
| C22 | C23 | O7 | N14 | 179.3° | 179.8° |
| C23 | C22 | C24 | O8 | 70.8° | 172.7° |
| C23 | C22 | C24 | H45 | 168.7° | 67.2° |
| C23 | C22 | C24 | H46 | 49.6° | 52.8° |
| C22 | C23 | N14 | C25 | 175.1° | 178.4° |
| C22 | C23 | N14 | H48 | 4.9° | 3.0° |
| C23 | C22 | N13 | C17 | 77.5° | 64.6° |
| C24 | C22 | C23 | O7 | 81.6° | 3.3° |
| C22 | C24 | O8 | H45 | 120.4° | 120.0° |
| C22 | C24 | O8 | H46 | 120.5° | 119.9° |
| C22 | C24 | H45 | H46 | 118.5° | 120.0° |
| C22 | C24 | O8 | H47 | 180.0° | 180.0° |
| C24 | C22 | N13 | C17 | 163.3° | 57.7° |
| C24 | C22 | C23 | N14 | 99.0° | 176.5° |
| H44 | C22 | C23 | O7 | 157.3° | 121.9° |
| H44 | C22 | C24 | O8 | 50.4° | 54.0° |
| H44 | C22 | C24 | H45 | 70.0° | 174.0° |
| H44 | C22 | C24 | H46 | 170.9° | 66.0° |
| H44 | C22 | N13 | C17 | 41.7° | 176.5° |
| H44 | C22 | C23 | N14 | 22.1° | 57.9° |
| O7 | C23 | N14 | C25 | 4.2° | 1.4° |
| O7 | C23 | N14 | H48 | 175.8° | 177.1° |
| O8 | C24 | H45 | H46 | 118.6° | 120.1° |
| H45 | C24 | O8 | H47 | 59.6° | 60.0° |
| H46 | C24 | O8 | H47 | 59.5° | 60.1° |
| C25 | N14 | H48 | C23 | 180.0° | 178.5° |
| N14 | C25 | C26 | C27 | 127.6° | 118.7° |
| N14 | C25 | C26 | H49 | 117.0° | 121.3° |
| N14 | C25 | C27 | H49 | 118.0° | 120.7° |
| N14 | C25 | C26 | O9 | 38.8° | 20.8° |
| N14 | C25 | C27 | C28 | 62.7° | 55.2° |
| N14 | C25 | C27 | C29 | 60.3° | 175.2° |
| N14 | C25 | C27 | H50 | 178.3° | 64.8° |
| N14 | C25 | C26 | N15 | 139.0° | 159.2° |
| H48 | N14 | C25 | C26 | 87.9° | 14.5° |
| H48 | N14 | C25 | C27 | 38.4° | 104.0° |
| H48 | N14 | C25 | H49 | 155.6° | 135.6° |
| C26 | C25 | C27 | H49 | 115.6° | 120.2° |
| C25 | C26 | O9 | N15 | 177.8° | 180.0° |
| C26 | C25 | C27 | C28 | 63.6° | 174.3° |
| C26 | C25 | C27 | C29 | 173.3° | 65.7° |
| C26 | C25 | C27 | H50 | 55.4° | 54.3° |
| C25 | C26 | N15 | C31 | 1.1° | 171.8° |
| C25 | C26 | N15 | C35 | 179.2° | 9.0° |
| C26 | C25 | N14 | C23 | 92.1° | 166.9° |
| C27 | C25 | C26 | O9 | 88.7° | 97.9° |
| C25 | C27 | C28 | C29 | 122.7° | 120.0° |
| C25 | C27 | C28 | H50 | 118.8° | 120.0° |
| C25 | C27 | C29 | H50 | 117.7° | 120.0° |
| C25 | C27 | C28 | C30 | 176.2° | 178.9° |
| C25 | C27 | C28 | H51 | 63.1° | 58.9° |
| C25 | C27 | C28 | H52 | 55.5° | 61.1° |
| C25 | C27 | C29 | H53 | 180.0° | 60.0° |
| C25 | C27 | C29 | H54 | 60.0° | 60.0° |
| C25 | C27 | C29 | H55 | 60.0° | 180.0° |
| C27 | C25 | N14 | C23 | 141.6° | 74.5° |
| C27 | C25 | C26 | N15 | 93.4° | 82.1° |
| H49 | C25 | C26 | O9 | 155.9° | 142.1° |
| H49 | C25 | C27 | C28 | 179.2° | 65.5° |
| H49 | C25 | C27 | C29 | 57.7° | 54.5° |
| H49 | C25 | C27 | H50 | 60.2° | 174.5° |
| H49 | C25 | N14 | C23 | 24.4° | 45.9° |
| H49 | C25 | C26 | N15 | 22.0° | 37.9° |
| O9 | C26 | N15 | C31 | 176.8° | 8.2° |
| O9 | C26 | N15 | C35 | 3.0° | 171.0° |
| C28 | C27 | C29 | H50 | 118.3° | 120.0° |
| C27 | C28 | C30 | H51 | 120.7° | 120.0° |
| C27 | C28 | C30 | H52 | 120.7° | 120.0° |
| C27 | C28 | H51 | H52 | 117.8° | 120.0° |
| C28 | C27 | C29 | H53 | 56.0° | 180.0° |
| C28 | C27 | C29 | H54 | 176.0° | 60.1° |
| C28 | C27 | C29 | H55 | 64.0° | 60.0° |
| C27 | C28 | C30 | H56 | 180.0° | 60.0° |
| C27 | C28 | C30 | H57 | 60.0° | 60.0° |
| C27 | C28 | C30 | H58 | 60.0° | 180.0° |
| C29 | C27 | C28 | C30 | 61.1° | 58.8° |
| C29 | C27 | C28 | H51 | 59.6° | 61.2° |
| C29 | C27 | C28 | H52 | 178.2° | 178.8° |
| C27 | C29 | H53 | H54 | 120.0° | 120.0° |
| C27 | C29 | H53 | H55 | 120.0° | 120.0° |
| C27 | C29 | H54 | H55 | 120.0° | 120.0° |
| H50 | C27 | C28 | C30 | 57.3° | 61.2° |
| H50 | C27 | C28 | H51 | 178.1° | 178.8° |
| H50 | C27 | C28 | H52 | 63.4° | 58.8° |
| H50 | C27 | C29 | H53 | 62.3° | 60.0° |
| H50 | C27 | C29 | H54 | 57.7° | 180.0° |
| H50 | C27 | C29 | H55 | 177.7° | 60.0° |
| C30 | C28 | H51 | H52 | 117.9° | 120.0° |
| C28 | C30 | H56 | H57 | 120.0° | 120.0° |
| C28 | C30 | H56 | H58 | 120.0° | 120.0° |
| C28 | C30 | H57 | H58 | 120.0° | 120.0° |
| H51 | C28 | C30 | H56 | 59.3° | 179.9° |
| H51 | C28 | C30 | H57 | 179.3° | 60.0° |
| H51 | C28 | C30 | H58 | 60.7° | 60.0° |
| H52 | C28 | C30 | H56 | 59.3° | 60.0° |
| H52 | C28 | C30 | H57 | 60.7° | 180.0° |
| H52 | C28 | C30 | H58 | 179.3° | 60.0° |
| H53 | C29 | H54 | H55 | 120.0° | 120.0° |
| H56 | C30 | H57 | H58 | 120.0° | 120.0° |
| C31 | N15 | C35 | C26 | 179.8° | 179.3° |
| N15 | C31 | C32 | C33 | 114.1° | 122.0° |
| N15 | C31 | C32 | H59 | 123.7° | 117.0° |
| N15 | C31 | C33 | H59 | 118.4° | 115.0° |
| N15 | C31 | C32 | O10 | 45.8° | 37.5° |
| N15 | C31 | C33 | C34 | 28.7° | 13.9° |
| N15 | C31 | C33 | H60 | 147.9° | 134.2° |
| N15 | C31 | C33 | H61 | 90.6° | 103.9° |
| C31 | N15 | C35 | C34 | 5.4° | 18.7° |
| C31 | N15 | C35 | H64 | 113.7° | 137.6° |
| C31 | N15 | C35 | H65 | 124.5° | 101.8° |
| N15 | C31 | C32 | N16 | 133.7° | 143.3° |
| C35 | N15 | C31 | C32 | 104.5° | 106.2° |
| C35 | N15 | C31 | C33 | 14.4° | 20.4° |
| C35 | N15 | C31 | H59 | 132.3° | 135.9° |
| N15 | C35 | C34 | C33 | 24.0° | 9.5° |
| N15 | C35 | C34 | H64 | 119.1° | 119.1° |
| N15 | C35 | C34 | H65 | 119.1° | 120.6° |
| N15 | C35 | C34 | H62 | 95.6° | 128.3° |
| N15 | C35 | C34 | H63 | 143.4° | 109.6° |
| N15 | C35 | H64 | H65 | 122.6° | 121.1° |
| C32 | C31 | C33 | H59 | 122.0° | 121.4° |
| C31 | C32 | O10 | N16 | 179.5° | 179.4° |
| C32 | C31 | C33 | C34 | 90.9° | 109.7° |
| C32 | C31 | C33 | H60 | 28.4° | 10.5° |
| C32 | C31 | C33 | H61 | 149.9° | 132.4° |
| C31 | C32 | N16 | C36 | 174.7° | 165.9° |
| C31 | C32 | N16 | C40 | 6.4° | 14.8° |
| C32 | C31 | N15 | C26 | 75.3° | 74.5° |
| C33 | C31 | C32 | O10 | 68.3° | 159.5° |
| C31 | C33 | C34 | H60 | 119.2° | 121.6° |
| C31 | C33 | C34 | H61 | 119.2° | 118.3° |
| C31 | C33 | H60 | H61 | 122.3° | 122.0° |
| C31 | C33 | C34 | C35 | 33.2° | 2.7° |
| C31 | C33 | C34 | H62 | 86.3° | 116.4° |
| C31 | C33 | C34 | H63 | 152.7° | 121.7° |
| C33 | C31 | N15 | C26 | 165.8° | 159.0° |
| C33 | C31 | C32 | N16 | 112.2° | 21.3° |
| H59 | C31 | C32 | O10 | 169.6° | 79.5° |
| H59 | C31 | C33 | C34 | 147.1° | 128.9° |
| H59 | C31 | C33 | H60 | 93.7° | 110.9° |
| H59 | C31 | C33 | H61 | 27.9° | 11.1° |
| H59 | C31 | N15 | C26 | 47.9° | 43.4° |
| H59 | C31 | C32 | N16 | 10.0° | 99.8° |
| O10 | C32 | N16 | C36 | 4.8° | 13.3° |
| O10 | C32 | N16 | C40 | 174.1° | 166.0° |
| C34 | C33 | H60 | H61 | 122.3° | 119.9° |
| C33 | C34 | C35 | H62 | 119.5° | 118.8° |
| C33 | C34 | C35 | H63 | 119.5° | 119.0° |
| C33 | C34 | H62 | H63 | 121.4° | 121.8° |
| C33 | C34 | C35 | H64 | 95.2° | 128.6° |
| C33 | C34 | C35 | H65 | 143.0° | 111.1° |
| H60 | C33 | C34 | C35 | 152.4° | 124.3° |
| H60 | C33 | C34 | H62 | 32.9° | 5.2° |
| H60 | C33 | C34 | H63 | 88.1° | 116.7° |
| H61 | C33 | C34 | C35 | 86.0° | 115.5° |
| H61 | C33 | C34 | H62 | 154.5° | 125.3° |
| H61 | C33 | C34 | H63 | 33.5° | 3.4° |
| C35 | C34 | H62 | H63 | 121.4° | 121.9° |
| C34 | C35 | H64 | H65 | 122.6° | 120.8° |
| C34 | C35 | N15 | C26 | 174.4° | 160.7° |
| H62 | C34 | C35 | H64 | 145.3° | 112.6° |
| H62 | C34 | C35 | H65 | 23.5° | 7.7° |
| H63 | C34 | C35 | H64 | 24.3° | 9.6° |
| H63 | C34 | C35 | H65 | 97.5° | 129.9° |
| H64 | C35 | N15 | C26 | 66.6° | 41.7° |
| H65 | C35 | N15 | C26 | 55.3° | 78.8° |
| C36 | N16 | C40 | C32 | 179.0° | 179.4° |
| N16 | C36 | C37 | C38 | 116.0° | 118.3° |
| N16 | C36 | C37 | H66 | 123.2° | 121.2° |
| N16 | C36 | C38 | H66 | 117.6° | 119.6° |
| N16 | C36 | C37 | O11 | 53.8° | 51.1° |
| N16 | C36 | C38 | C39 | 27.6° | 20.7° |
| N16 | C36 | C38 | H67 | 146.8° | 139.5° |
| N16 | C36 | C38 | H68 | 91.6° | 98.1° |
| C36 | N16 | C40 | C39 | 10.1° | 2.0° |
| C36 | N16 | C40 | H71 | 108.9° | 117.4° |
| C36 | N16 | C40 | H72 | 129.1° | 121.1° |
| N16 | C36 | C37 | N17 | 123.2° | 129.3° |
| C40 | N16 | C36 | C37 | 109.8° | 107.3° |
| C40 | N16 | C36 | C38 | 10.6° | 11.9° |
| C40 | N16 | C36 | H66 | 127.6° | 131.3° |
| N16 | C40 | C39 | C38 | 27.5° | 14.9° |
| N16 | C40 | C39 | H71 | 119.0° | 120.0° |
| N16 | C40 | C39 | H72 | 119.0° | 119.7° |
| N16 | C40 | C39 | H69 | 91.9° | 103.8° |
| N16 | C40 | C39 | H70 | 146.9° | 134.0° |
| N16 | C40 | H71 | H72 | 122.9° | 121.4° |
| C37 | C36 | C38 | H66 | 120.8° | 120.8° |
| C36 | C37 | O11 | N17 | 176.8° | 179.6° |
| C37 | C36 | C38 | C39 | 94.0° | 98.9° |
| C37 | C36 | C38 | H67 | 25.2° | 19.8° |
| C37 | C36 | C38 | H68 | 146.8° | 142.2° |
| C36 | C37 | N17 | C41 | 177.7° | 180.0° |
| C36 | C37 | N17 | H73 | 2.3° | 0.1° |
| C37 | C36 | N16 | C32 | 69.3° | 72.1° |
| C38 | C36 | C37 | O11 | 62.2° | 67.3° |
| C36 | C38 | C39 | H67 | 119.2° | 118.8° |
| C36 | C38 | C39 | H68 | 119.2° | 118.9° |
| C36 | C38 | H67 | H68 | 122.3° | 122.6° |
| C36 | C38 | C39 | C40 | 34.6° | 21.3° |
| C36 | C38 | C39 | H69 | 84.8° | 97.5° |
| C36 | C38 | C39 | H70 | 153.9° | 140.4° |
| C38 | C36 | N16 | C32 | 170.3° | 168.7° |
| C38 | C36 | C37 | N17 | 120.8° | 112.4° |
| H66 | C36 | C37 | O11 | 177.0° | 172.3° |
| H66 | C36 | C38 | C39 | 145.2° | 140.3° |
| H66 | C36 | C38 | H67 | 95.6° | 101.0° |
| H66 | C36 | C38 | H68 | 26.0° | 21.5° |
| H66 | C36 | N16 | C32 | 53.4° | 49.2° |
| H66 | C36 | C37 | N17 | 0.0° | 8.1° |
| O11 | C37 | N17 | C41 | 5.3° | 0.4° |
| O11 | C37 | N17 | H73 | 174.7° | 179.8° |
| C39 | C38 | H67 | H68 | 122.2° | 122.3° |
| C38 | C39 | C40 | H69 | 119.4° | 118.7° |
| C38 | C39 | C40 | H70 | 119.4° | 119.1° |
| C38 | C39 | H69 | H70 | 121.8° | 122.0° |
| C38 | C39 | C40 | H71 | 91.5° | 105.1° |
| C38 | C39 | C40 | H72 | 146.5° | 134.6° |
| H67 | C38 | C39 | C40 | 153.8° | 140.1° |
| H67 | C38 | C39 | H69 | 34.4° | 21.3° |
| H67 | C38 | C39 | H70 | 86.8° | 100.8° |
| H68 | C38 | C39 | C40 | 84.7° | 97.6° |
| H68 | C38 | C39 | H69 | 156.0° | 143.6° |
| H68 | C38 | C39 | H70 | 34.7° | 21.5° |
| C40 | C39 | H69 | H70 | 121.8° | 122.3° |
| C39 | C40 | H71 | H72 | 122.8° | 119.5° |
| C39 | C40 | N16 | C32 | 168.9° | 177.4° |
| H69 | C39 | C40 | H71 | 149.1° | 136.2° |
| H69 | C39 | C40 | H72 | 27.1° | 16.0° |
| H70 | C39 | C40 | H71 | 27.9° | 13.9° |
| H70 | C39 | C40 | H72 | 94.1° | 106.3° |
| H71 | C40 | N16 | C32 | 72.1° | 63.2° |
| H72 | C40 | N16 | C32 | 49.9° | 58.3° |
| C41 | N17 | H73 | C37 | 180.0° | 179.9° |
| N17 | C41 | C42 | C43 | 123.0° | 120.1° |
| N17 | C41 | C42 | H74 | 119.1° | 121.3° |
| N17 | C41 | C43 | H74 | 119.6° | 119.8° |
| N17 | C41 | C42 | O12 | 62.7° | 46.4° |
| N17 | C41 | C43 | C44 | 49.7° | 175.0° |
| N17 | C41 | C43 | C45 | 74.7° | 65.0° |
| N17 | C41 | C43 | H75 | 167.8° | 55.0° |
| N17 | C41 | C42 | N18 | 113.3° | 133.1° |
| H73 | N17 | C41 | C42 | 77.3° | 16.7° |
| H73 | N17 | C41 | C43 | 46.1° | 103.0° |
| H73 | N17 | C41 | H74 | 164.6° | 137.6° |
| C42 | C41 | C43 | H74 | 118.1° | 118.6° |
| C41 | C42 | O12 | N18 | 175.8° | 179.5° |
| C42 | C41 | C43 | C44 | 72.6° | 63.4° |
| C42 | C41 | C43 | C45 | 163.0° | 56.6° |
| C42 | C41 | C43 | H75 | 45.5° | 176.6° |
| C41 | C42 | N18 | C50 | 179.6° | 157.2° |
| C41 | C42 | N18 | H88 | 0.4° | 22.9° |
| C42 | C41 | N17 | C37 | 102.7° | 163.4° |
| C43 | C41 | C42 | O12 | 60.3° | 73.7° |
| C41 | C43 | C44 | C45 | 124.0° | 120.0° |
| C41 | C43 | C44 | H75 | 118.1° | 120.0° |
| C41 | C43 | C45 | H75 | 117.4° | 120.0° |
| C41 | C43 | C44 | C46 | 177.0° | 65.0° |
| C41 | C43 | C44 | H76 | 62.3° | 175.0° |
| C41 | C43 | C44 | H77 | 56.4° | 55.0° |
| C41 | C43 | C45 | H78 | 180.0° | 60.0° |
| C41 | C43 | C45 | H79 | 60.0° | 180.0° |
| C41 | C43 | C45 | H80 | 60.0° | 60.0° |
| C43 | C41 | N17 | C37 | 133.8° | 76.9° |
| C43 | C41 | C42 | N18 | 123.7° | 106.8° |
| H74 | C41 | C42 | O12 | 178.2° | 167.7° |
| H74 | C41 | C43 | C44 | 169.3° | 55.2° |
| H74 | C41 | C43 | C45 | 44.9° | 175.1° |
| H74 | C41 | C43 | H75 | 72.6° | 64.8° |
| H74 | C41 | N17 | C37 | 15.4° | 42.6° |
| H74 | C41 | C42 | N18 | 5.7° | 11.8° |
| O12 | C42 | N18 | C50 | 3.6° | 23.3° |
| O12 | C42 | N18 | H88 | 176.4° | 156.6° |
| C44 | C43 | C45 | H75 | 117.7° | 120.0° |
| C43 | C44 | C46 | H76 | 120.7° | 120.0° |
| C43 | C44 | C46 | H77 | 120.7° | 120.0° |
| C43 | C44 | H76 | H77 | 117.9° | 120.0° |
| C44 | C43 | C45 | H78 | 55.1° | 59.9° |
| C44 | C43 | C45 | H79 | 175.1° | 60.0° |
| C44 | C43 | C45 | H80 | 64.9° | 180.0° |
| C43 | C44 | C46 | H81 | 180.0° | 60.0° |
| C43 | C44 | C46 | H82 | 60.0° | 60.0° |
| C43 | C44 | C46 | H83 | 60.0° | 180.0° |
| C45 | C43 | C44 | C46 | 58.9° | 175.0° |
| C45 | C43 | C44 | H76 | 61.8° | 55.1° |
| C45 | C43 | C44 | H77 | 179.6° | 65.0° |
| C43 | C45 | H78 | H79 | 120.0° | 120.0° |
| C43 | C45 | H78 | H80 | 120.0° | 120.1° |
| C43 | C45 | H79 | H80 | 120.0° | 120.0° |
| H75 | C43 | C44 | C46 | 58.9° | 55.0° |
| H75 | C43 | C44 | H76 | 179.6° | 65.0° |
| H75 | C43 | C44 | H77 | 61.8° | 175.0° |
| H75 | C43 | C45 | H78 | 62.6° | 179.9° |
| H75 | C43 | C45 | H79 | 57.4° | 60.0° |
| H75 | C43 | C45 | H80 | 177.4° | 60.0° |
| C46 | C44 | H76 | H77 | 117.8° | 120.0° |
| C44 | C46 | H81 | H82 | 120.0° | 120.0° |
| C44 | C46 | H81 | H83 | 120.0° | 120.0° |
| C44 | C46 | H82 | H83 | 120.0° | 120.0° |
| H76 | C44 | C46 | H81 | 59.3° | 180.0° |
| H76 | C44 | C46 | H82 | 179.3° | 60.0° |
| H76 | C44 | C46 | H83 | 60.7° | 60.0° |
| H77 | C44 | C46 | H81 | 59.3° | 60.0° |
| H77 | C44 | C46 | H82 | 60.7° | 180.0° |
| H77 | C44 | C46 | H83 | 179.3° | 60.0° |
| H78 | C45 | H79 | H80 | 120.0° | 120.0° |
| H81 | C46 | H82 | H83 | 120.0° | 120.0° |
| C48 | C47 | H84 | N9 | 180.0° | 180.0° |
| C47 | C48 | C49 | N7 | 176.8° | 179.4° |
| C47 | C48 | C49 | C50 | 93.6° | 6.4° |
| C47 | C48 | C49 | H85 | 145.7° | 114.9° |
| C47 | C48 | C49 | H86 | 27.2° | 126.4° |
| H84 | C47 | C48 | C49 | 2.2° | 1.3° |
| H84 | C47 | C48 | N7 | 179.4° | 179.2° |
| C48 | C49 | C50 | H85 | 120.7° | 121.0° |
| C48 | C49 | C50 | H86 | 120.7° | 119.6° |
| C48 | C49 | H85 | H86 | 117.7° | 118.6° |
| C48 | C49 | C50 | C51 | 175.4° | 90.4° |
| C48 | C49 | C50 | N18 | 58.0° | 143.5° |
| C48 | C49 | C50 | H87 | 59.8° | 27.0° |
| C49 | C48 | C47 | N9 | 177.8° | 178.7° |
| C50 | C49 | H85 | H86 | 117.8° | 119.8° |
| C49 | C50 | C51 | N18 | 127.6° | 124.8° |
| C49 | C50 | C51 | H87 | 115.4° | 117.7° |
| C49 | C50 | N18 | H87 | 117.1° | 117.2° |
| C49 | C50 | C51 | O13 | 75.5° | 160.0° |
| C49 | C50 | N18 | H88 | 67.5° | 151.9° |
| C50 | C49 | C48 | N7 | 83.2° | 173.0° |
| C49 | C50 | N18 | C42 | 112.5° | 28.2° |
| C49 | C50 | C51 | N19 | 105.5° | 19.7° |
| H85 | C49 | C50 | C51 | 54.7° | 30.6° |
| H85 | C49 | C50 | N18 | 178.7° | 95.5° |
| H85 | C49 | C50 | H87 | 60.9° | 147.9° |
| H85 | C49 | C48 | N7 | 37.6° | 65.7° |
| H86 | C49 | C50 | C51 | 63.9° | 150.0° |
| H86 | C49 | C50 | N18 | 62.7° | 23.9° |
| H86 | C49 | C50 | H87 | 179.5° | 92.6° |
| H86 | C49 | C48 | N7 | 156.1° | 53.0° |
| C51 | C50 | N18 | H87 | 116.5° | 117.8° |
| C50 | C51 | O13 | N19 | 178.9° | 179.7° |
| C51 | C50 | N18 | H88 | 58.8° | 83.1° |
| C50 | C51 | N19 | C52 | 179.4° | 162.5° |
| C50 | C51 | N19 | H89 | 0.6° | 17.8° |
| C51 | C50 | N18 | C42 | 121.2° | 96.9° |
| N18 | C50 | C51 | O13 | 52.1° | 35.2° |
| C50 | N18 | H88 | C42 | 180.0° | 180.0° |
| N18 | C50 | C51 | N19 | 126.9° | 144.5° |
| H87 | C50 | C51 | O13 | 169.1° | 82.3° |
| H87 | C50 | N18 | H88 | 175.3° | 34.7° |
| H87 | C50 | N18 | C42 | 4.7° | 145.3° |
| H87 | C50 | C51 | N19 | 9.9° | 98.0° |
| O13 | C51 | N19 | C52 | 0.5° | 17.8° |
| O13 | C51 | N19 | H89 | 179.6° | 161.9° |
| C52 | N19 | H89 | C51 | 180.0° | 179.7° |
| N19 | C52 | C53 | C54 | 119.0° | 118.6° |
| N19 | C52 | C53 | H90 | 120.3° | 121.1° |
| N19 | C52 | C54 | H90 | 121.2° | 119.3° |
| N19 | C52 | C53 | O14 | 40.1° | 3.3° |
| N19 | C52 | C54 | C55 | 53.4° | 67.6° |
| N19 | C52 | C54 | H91 | 67.2° | 52.4° |
| N19 | C52 | C54 | H92 | 174.0° | 172.4° |
| N19 | C52 | C53 | N20 | 141.4° | 176.5° |
| H89 | N19 | C52 | C53 | 70.9° | 58.7° |
| H89 | N19 | C52 | C54 | 49.3° | 60.9° |
| H89 | N19 | C52 | H90 | 169.6° | 179.9° |
| C53 | C52 | C54 | H90 | 120.7° | 120.5° |
| C52 | C53 | O14 | N20 | 178.5° | 179.8° |
| C53 | C52 | C54 | C55 | 171.4° | 172.2° |
| C53 | C52 | C54 | H91 | 50.8° | 67.8° |
| C53 | C52 | C54 | H92 | 68.0° | 52.2° |
| C52 | C53 | N20 | C61 | 172.0° | 177.9° |
| C52 | C53 | N20 | C65 | 8.9° | 2.1° |
| C53 | C52 | N19 | C51 | 109.0° | 121.0° |
| C54 | C52 | C53 | O14 | 78.9° | 115.3° |
| C52 | C54 | C55 | H91 | 120.6° | 120.0° |
| C52 | C54 | C55 | H92 | 120.6° | 120.0° |
| C52 | C54 | H91 | H92 | 118.1° | 120.0° |
| C52 | C54 | C55 | C56 | 81.6° | 109.9° |
| C52 | C54 | C55 | C57 | 97.5° | 70.3° |
| C54 | C52 | N19 | C51 | 130.7° | 119.3° |
| C54 | C52 | C53 | N20 | 99.6° | 64.9° |
| H90 | C52 | C53 | O14 | 160.4° | 124.4° |
| H90 | C52 | C54 | C55 | 67.8° | 51.7° |
| H90 | C52 | C54 | H91 | 171.6° | 171.7° |
| H90 | C52 | C54 | H92 | 52.8° | 68.3° |
| H90 | C52 | N19 | C51 | 10.4° | 0.1° |
| H90 | C52 | C53 | N20 | 21.1° | 55.4° |
| O14 | C53 | N20 | C61 | 9.5° | 1.9° |
| O14 | C53 | N20 | C65 | 169.6° | 178.1° |
| C55 | C54 | H91 | H92 | 118.2° | 120.0° |
| C54 | C55 | C56 | C57 | 179.1° | 179.7° |
| C54 | C55 | C56 | C58 | 179.1° | 180.0° |
| C54 | C55 | C56 | H93 | 0.9° | 0.0° |
| C54 | C55 | C57 | C59 | 179.3° | 180.0° |
| C54 | C55 | C57 | H94 | 0.7° | 0.0° |
| H91 | C54 | C55 | C56 | 157.8° | 10.0° |
| H91 | C54 | C55 | C57 | 23.1° | 169.7° |
| H92 | C54 | C55 | C56 | 39.0° | 130.0° |
| H92 | C54 | C55 | C57 | 141.9° | 49.7° |
| C55 | C56 | C58 | H93 | 180.0° | 180.0° |
| C56 | C55 | C57 | C59 | 0.1° | 0.3° |
| C56 | C55 | C57 | H94 | 179.9° | 179.7° |
| C55 | C56 | C58 | C60 | 0.1° | 0.1° |
| C55 | C56 | C58 | H95 | 179.9° | 180.0° |
| C57 | C55 | C56 | C58 | 0.0° | 0.3° |
| C57 | C55 | C56 | H93 | 180.0° | 179.7° |
| C55 | C57 | C59 | H94 | 180.0° | 180.0° |
| C55 | C57 | C59 | C60 | 0.2° | 0.1° |
| C55 | C57 | C59 | H96 | 179.8° | 180.0° |
| C56 | C58 | C60 | H95 | 180.0° | 180.0° |
| C56 | C58 | C60 | C59 | 0.0° | 0.2° |
| C56 | C58 | C60 | H97 | 180.0° | 180.0° |
| H93 | C56 | C58 | C60 | 179.9° | 180.0° |
| H93 | C56 | C58 | H95 | 0.1° | 0.0° |
| C57 | C59 | C60 | C58 | 0.1° | 0.2° |
| C57 | C59 | C60 | H96 | 180.0° | 179.9° |
| C57 | C59 | C60 | H97 | 179.9° | 180.0° |
| H94 | C57 | C59 | C60 | 179.8° | 179.9° |
| H94 | C57 | C59 | H96 | 0.2° | 0.0° |
| C58 | C60 | C59 | H97 | 180.0° | 179.8° |
| C58 | C60 | C59 | H96 | 179.9° | 179.7° |
| H95 | C58 | C60 | C59 | 180.0° | 179.8° |
| H95 | C58 | C60 | H97 | 0.0° | 0.0° |
| H96 | C59 | C60 | H97 | 0.1° | 0.1° |
| C61 | N20 | C65 | C53 | 179.2° | 180.0° |
| N20 | C61 | C62 | C63 | 116.5° | 118.0° |
| N20 | C61 | C62 | H98 | 123.4° | 122.5° |
| N20 | C61 | C63 | H98 | 117.0° | 120.2° |
| N20 | C61 | C62 | O15 | 164.5° | 7.0° |
| N20 | C61 | C63 | C64 | 23.2° | 19.3° |
| N20 | C61 | C63 | H99 | 142.5° | 138.5° |
| N20 | C61 | C63 | H100 | 96.0° | 99.3° |
| C61 | N20 | C65 | C64 | 15.0° | 14.5° |
| C61 | N20 | C65 | H103 | 104.1° | 134.2° |
| C61 | N20 | C65 | H104 | 134.0° | 104.5° |
| N20 | C61 | C62 | N21 | 13.6° | 173.3° |
| C65 | N20 | C61 | C62 | 115.4° | 97.6° |
| C65 | N20 | C61 | C63 | 5.0° | 21.2° |
| C65 | N20 | C61 | H98 | 121.5° | 140.6° |
| N20 | C65 | C64 | C63 | 29.7° | 2.0° |
| N20 | C65 | C64 | H103 | 119.0° | 120.0° |
| N20 | C65 | C64 | H104 | 119.0° | 119.5° |
| N20 | C65 | C64 | H101 | 89.8° | 121.1° |
| N20 | C65 | C64 | H102 | 149.2° | 117.4° |
| N20 | C65 | H103 | H104 | 122.8° | 121.3° |
| C62 | C61 | C63 | H98 | 120.2° | 119.6° |
| C61 | C62 | O15 | N21 | 178.0° | 179.8° |
| C62 | C61 | C63 | C64 | 99.6° | 100.9° |
| C62 | C61 | C63 | H99 | 19.7° | 18.3° |
| C62 | C61 | C63 | H100 | 141.1° | 140.5° |
| C61 | C62 | N21 | C66 | 179.7° | 179.8° |
| C61 | C62 | N21 | H105 | 0.3° | 0.3° |
| C62 | C61 | N20 | C53 | 63.8° | 82.4° |
| C63 | C61 | C62 | O15 | 79.0° | 125.0° |
| C61 | C63 | C64 | H99 | 119.3° | 119.5° |
| C61 | C63 | C64 | H100 | 119.3° | 118.7° |
| C61 | C63 | H99 | H100 | 122.2° | 122.2° |
| C61 | C63 | C64 | C65 | 33.3° | 10.4° |
| C61 | C63 | C64 | H101 | 86.1° | 108.8° |
| C61 | C63 | C64 | H102 | 152.8° | 129.7° |
| C63 | C61 | N20 | C53 | 175.8° | 158.8° |
| C63 | C61 | C62 | N21 | 102.9° | 55.3° |
| H98 | C61 | C62 | O15 | 41.1° | 115.5° |
| H98 | C61 | C63 | C64 | 140.2° | 139.5° |
| H98 | C61 | C63 | H99 | 100.5° | 101.3° |
| H98 | C61 | C63 | H100 | 21.0° | 20.9° |
| H98 | C61 | N20 | C53 | 59.2° | 39.4° |
| H98 | C61 | C62 | N21 | 137.0° | 64.3° |
| O15 | C62 | N21 | C66 | 2.2° | 0.5° |
| O15 | C62 | N21 | H105 | 177.8° | 179.4° |
| C64 | C63 | H99 | H100 | 122.1° | 121.8° |
| C63 | C64 | C65 | H101 | 119.4° | 119.2° |
| C63 | C64 | C65 | H102 | 119.5° | 119.4° |
| C63 | C64 | H101 | H102 | 121.6° | 121.6° |
| C63 | C64 | C65 | H103 | 89.3° | 122.0° |
| C63 | C64 | C65 | H104 | 148.7° | 117.5° |
| H99 | C63 | C64 | C65 | 152.6° | 129.9° |
| H99 | C63 | C64 | H101 | 33.1° | 10.7° |
| H99 | C63 | C64 | H102 | 87.9° | 110.8° |
| H100 | C63 | C64 | C65 | 86.0° | 108.3° |
| H100 | C63 | C64 | H101 | 154.6° | 132.5° |
| H100 | C63 | C64 | H102 | 33.5° | 11.0° |
| C65 | C64 | H101 | H102 | 121.6° | 121.5° |
| C64 | C65 | H103 | H104 | 122.8° | 120.0° |
| C64 | C65 | N20 | C53 | 164.2° | 165.6° |
| H101 | C64 | C65 | H103 | 151.2° | 118.9° |
| H101 | C64 | C65 | H104 | 29.3° | 1.6° |
| H102 | C64 | C65 | H103 | 30.1° | 2.6° |
| H102 | C64 | C65 | H104 | 91.8° | 123.1° |
| H103 | C65 | N20 | C53 | 76.7° | 45.9° |
| H104 | C65 | N20 | C53 | 45.2° | 75.5° |
| C66 | N21 | H105 | C62 | 180.0° | 179.9° |
| N21 | C66 | C67 | C68 | 124.6° | 123.2° |
| N21 | C66 | C67 | H106 | 118.6° | 118.5° |
| N21 | C66 | C68 | H106 | 118.8° | 118.1° |
| N21 | C66 | C67 | O16 | 172.8° | 94.3° |
| N21 | C66 | C68 | C69 | 64.1° | 65.0° |
| N21 | C66 | C68 | H107 | 175.4° | 55.0° |
| N21 | C66 | C68 | H108 | 56.4° | 175.0° |
| N21 | C66 | C67 | N1 | 8.1° | 86.1° |
| H105 | N21 | C66 | C67 | 102.3° | 126.9° |
| H105 | N21 | C66 | C68 | 21.4° | 109.7° |
| H105 | N21 | C66 | H106 | 139.7° | 8.4° |
| C67 | C66 | C68 | H106 | 116.9° | 118.3° |
| C66 | C67 | O16 | N1 | 179.1° | 179.5° |
| C67 | C66 | C68 | C69 | 60.2° | 171.4° |
| C67 | C66 | C68 | H107 | 60.3° | 68.6° |
| C67 | C66 | C68 | H108 | 179.3° | 51.4° |
| C67 | C66 | N21 | C62 | 77.7° | 52.9° |
| C68 | C66 | C67 | O16 | 62.6° | 142.4° |
| C66 | C68 | C69 | H107 | 120.5° | 120.0° |
| C66 | C68 | C69 | H108 | 120.5° | 120.0° |
| C66 | C68 | H107 | H108 | 118.4° | 120.0° |
| C66 | C68 | C69 | O17 | 95.4° | 0.0° |
| C66 | C68 | C69 | O18 | 85.3° | 180.0° |
| C68 | C66 | C67 | N1 | 116.5° | 37.1° |
| C68 | C66 | N21 | C62 | 158.6° | 70.4° |
| H106 | C66 | C67 | O16 | 54.2° | 24.1° |
| H106 | C66 | C68 | C69 | 177.0° | 53.1° |
| H106 | C66 | C68 | H107 | 56.5° | 173.1° |
| H106 | C66 | C68 | H108 | 62.4° | 66.9° |
| H106 | C66 | C67 | N1 | 126.6° | 155.4° |
| H106 | C66 | N21 | C62 | 40.3° | 171.4° |
| C69 | C68 | H107 | H108 | 118.4° | 120.0° |
| C68 | C69 | O17 | O18 | 179.3° | 179.9° |
| C68 | C69 | O18 | H109 | 179.3° | 180.0° |
| H107 | C68 | C69 | O17 | 25.1° | 120.0° |
| H107 | C68 | C69 | O18 | 154.2° | 60.0° |
| H108 | C68 | C69 | O17 | 144.1° | 120.0° |
| H108 | C68 | C69 | O18 | 35.2° | 60.0° |
| O17 | C69 | O18 | H109 | 0.0° | 0.0° |
| N7 | C48 | C47 | N9 | 0.5° | 0.8° |
