PRD_002482
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | S1 | sing | 1.81Å | 1.83Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| S1 | C5 | sing | 1.81Å | 1.80Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| N3 | C8 | sing | 1.46Å | 1.48Å | |
| N3 | C12 | sing | 1.46Å | 1.48Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | C13 | sing | 1.48Å | 1.47Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N5 | C19 | sing | 1.48Å | 1.45Å | |
| N5 | H31 | sing | 0.98Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H36 | sing | 1.08Å | 1.08Å | |
| C25 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | O6 | sing | 1.36Å | 1.38Å | |
| O6 | H39 | sing | 0.97Å | 0.95Å | |
| N6 | C28 | sing | 1.48Å | 1.45Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.50Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.55Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | O7 | doub | 1.21Å | 1.23Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | C32 | sing | 1.53Å | 1.50Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | C33 | sing | 1.53Å | 1.49Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| N7 | C34 | sing | 1.48Å | 1.47Å | |
| N7 | H51 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | O8 | doub | 1.21Å | 1.23Å | |
| C36 | O9 | sing | 1.43Å | 1.41Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C36 | H54 | sing | 1.09Å | 1.10Å | |
| O9 | H55 | sing | 0.97Å | 0.95Å | |
| N8 | C37 | sing | 1.48Å | 1.47Å | |
| N8 | H56 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.50Å | 1.54Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.22Å | 1.24Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | H60 | sing | 1.08Å | 1.08Å | |
| C42 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H61 | sing | 1.08Å | 1.08Å | |
| C43 | C45 | doub | 1.39Å | 1.38Å | Aromatic |
| C43 | H62 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | H63 | sing | 1.08Å | 1.08Å | |
| C45 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | H64 | sing | 0.97Å | 0.95Å | |
| N9 | C46 | sing | 1.48Å | 1.46Å | |
| N9 | H65 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.50Å | 1.55Å | |
| C46 | C48 | sing | 1.52Å | 1.53Å | |
| C46 | H66 | sing | 1.11Å | 1.10Å | |
| C47 | O12 | doub | 1.23Å | 1.24Å | |
| C48 | C49 | sing | 1.51Å | 1.51Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| C49 | O13 | doub | 1.21Å | 1.27Å | |
| C49 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H69 | sing | 0.97Å | 0.95Å | |
| N10 | C50 | sing | 1.47Å | 1.48Å | |
| N10 | C54 | sing | 1.47Å | 1.47Å | |
| C50 | C51 | sing | 1.49Å | 1.53Å | |
| C50 | C52 | sing | 1.54Å | 1.54Å | |
| C50 | H70 | sing | 1.10Å | 1.10Å | |
| C51 | O15 | doub | 1.21Å | 1.23Å | |
| C52 | C53 | sing | 1.54Å | 1.46Å | |
| C52 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.54Å | 1.52Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| C53 | H74 | sing | 1.09Å | 1.10Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C54 | H76 | sing | 1.09Å | 1.10Å | |
| N11 | C55 | sing | 1.47Å | 1.46Å | |
| N11 | H77 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 1.53Å | |
| C55 | C57 | sing | 1.53Å | 1.54Å | |
| C55 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | O16 | doub | 1.21Å | 1.23Å | |
| C57 | C58 | sing | 1.53Å | 1.52Å | |
| C57 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C58 | H81 | sing | 1.09Å | 1.10Å | |
| C58 | H82 | sing | 1.09Å | 1.10Å | |
| C59 | H83 | sing | 1.09Å | 1.10Å | |
| C59 | H84 | sing | 1.09Å | 1.10Å | |
| C59 | H85 | sing | 1.09Å | 1.10Å | |
| N12 | C60 | sing | 1.48Å | 1.47Å | |
| N12 | H86 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C60 | C62 | sing | 1.53Å | 1.53Å | |
| C60 | H87 | sing | 1.09Å | 1.10Å | |
| C61 | O17 | doub | 1.21Å | 1.23Å | |
| C62 | S2 | sing | 1.81Å | 1.82Å | |
| C62 | H88 | sing | 1.09Å | 1.10Å | |
| C62 | H89 | sing | 1.09Å | 1.10Å | |
| N13 | C63 | sing | 1.47Å | 1.47Å | |
| N13 | H90 | sing | 0.97Å | 1.00Å | |
| C63 | C64 | sing | 1.51Å | 1.54Å | |
| C63 | C65 | sing | 1.53Å | 1.53Å | |
| C63 | H91 | sing | 1.09Å | 1.10Å | |
| C64 | O18 | doub | 1.21Å | 1.23Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | H92 | sing | 1.09Å | 1.10Å | |
| C65 | H93 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.53Å | 1.53Å | |
| C66 | H94 | sing | 1.09Å | 1.10Å | |
| C66 | H95 | sing | 1.09Å | 1.10Å | |
| C67 | N14 | sing | 1.46Å | 1.46Å | |
| C67 | H96 | sing | 1.09Å | 1.10Å | |
| C67 | H97 | sing | 1.09Å | 1.10Å | |
| N14 | C68 | sing | 1.37Å | 1.33Å | |
| N14 | H98 | sing | 0.97Å | 1.00Å | |
| C68 | N15 | sing | 1.33Å | 1.33Å | |
| C68 | N16 | doub | 1.33Å | 1.33Å | |
| N15 | H99 | sing | 0.97Å | 1.00Å | |
| N15 | H100 | sing | 0.97Å | 1.00Å | |
| N16 | H101 | sing | 0.97Å | 1.00Å | |
| N16 | H102 | sing | 0.97Å | 1.00Å | |
| N17 | C69 | sing | 1.46Å | 37.27Å | |
| N17 | H103 | sing | 0.97Å | 1.00Å | |
| C69 | C70 | sing | 1.51Å | 0.00Å | |
| C69 | C71 | sing | 1.53Å | 0.00Å | |
| C69 | H104 | sing | 1.09Å | 0.00Å | |
| C70 | O19 | doub | 1.21Å | 0.00Å | |
| C70 | O20 | sing | 1.34Å | 0.00Å | |
| C71 | H105 | sing | 1.09Å | 0.00Å | |
| C71 | H106 | sing | 1.09Å | 0.00Å | |
| C71 | H107 | sing | 1.09Å | 0.00Å | |
| O20 | H108 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | S2 | sing | 1.82Å | 1.80Å | |
| C9 | N4 | sing | 1.36Å | 1.34Å | |
| C14 | N5 | sing | 1.36Å | 1.34Å | |
| C20 | N6 | sing | 1.36Å | 1.35Å | |
| C29 | N7 | sing | 1.36Å | 1.33Å | |
| C35 | N8 | sing | 1.36Å | 1.33Å | |
| C38 | N9 | sing | 1.36Å | 1.35Å | |
| C47 | N10 | sing | 1.35Å | 1.35Å | |
| C51 | N11 | sing | 1.36Å | 1.35Å | |
| C56 | N12 | sing | 1.37Å | 1.35Å | |
| C61 | N13 | sing | 1.35Å | 1.35Å | |
| C64 | N17 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 111.1° | 109.5° |
| N1 | C1 | C3 | 110.0° | 109.5° |
| N1 | C1 | H3 | 109.1° | 109.5° |
| H1 | N1 | H2 | 109.4° | 111.1° |
| C2 | C1 | C3 | 110.6° | 109.5° |
| C2 | C1 | H3 | 108.0° | 109.4° |
| C1 | C2 | O1 | 120.4° | 120.0° |
| C1 | C2 | N2 | 117.3° | 120.0° |
| C3 | C1 | H3 | 108.0° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| C1 | C3 | H6 | 109.5° | 109.5° |
| O1 | C2 | N2 | 122.2° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| S1 | C4 | H7 | 108.5° | 109.6° |
| S1 | C4 | H8 | 108.5° | 109.4° |
| C4 | S1 | C5 | 103.0° | 102.9° |
| S1 | C4 | S2 | 113.4° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | S2 | 108.5° | 109.5° |
| H8 | C4 | S2 | 108.5° | 109.4° |
| C6 | N2 | H9 | 118.4° | 119.9° |
| N2 | C6 | C5 | 109.9° | 109.5° |
| N2 | C6 | C7 | 108.0° | 109.5° |
| N2 | C6 | H12 | 110.1° | 109.4° |
| C6 | N2 | C2 | 123.3° | 120.1° |
| H9 | N2 | C2 | 118.4° | 120.0° |
| S1 | C5 | C6 | 113.2° | 109.3° |
| S1 | C5 | H10 | 108.5° | 109.2° |
| S1 | C5 | H11 | 108.5° | 109.3° |
| C6 | C5 | H10 | 108.5° | 109.6° |
| C6 | C5 | H11 | 108.5° | 109.7° |
| C5 | C6 | C7 | 110.1° | 109.8° |
| C5 | C6 | H12 | 109.3° | 109.1° |
| H10 | C5 | H11 | 109.5° | 109.7° |
| C7 | C6 | H12 | 109.3° | 109.5° |
| C6 | C7 | O2 | 120.9° | 120.0° |
| C6 | C7 | N3 | 118.2° | 119.7° |
| O2 | C7 | N3 | 120.7° | 120.3° |
| C8 | N3 | C12 | 111.8° | 109.2° |
| N3 | C8 | C9 | 114.8° | 109.9° |
| N3 | C8 | C10 | 104.2° | 108.6° |
| N3 | C8 | H13 | 109.9° | 110.2° |
| C8 | N3 | C7 | 127.2° | 124.9° |
| N3 | C12 | C11 | 103.5° | 108.5° |
| N3 | C12 | H18 | 111.0° | 109.6° |
| N3 | C12 | H19 | 111.0° | 109.5° |
| C12 | N3 | C7 | 120.2° | 125.9° |
| C9 | C8 | C10 | 109.8° | 109.1° |
| C9 | C8 | H13 | 109.1° | 109.2° |
| C8 | C9 | O3 | 118.9° | 120.7° |
| C8 | C9 | N4 | 118.2° | 118.0° |
| C10 | C8 | H13 | 109.0° | 109.8° |
| C8 | C10 | C11 | 106.6° | 106.3° |
| C8 | C10 | H14 | 110.2° | 110.2° |
| C8 | C10 | H15 | 110.2° | 110.0° |
| O3 | C9 | N4 | 122.9° | 121.2° |
| C11 | C10 | H14 | 110.2° | 110.1° |
| C11 | C10 | H15 | 110.2° | 110.4° |
| C10 | C11 | C12 | 107.6° | 105.3° |
| C10 | C11 | H16 | 110.0° | 110.2° |
| C10 | C11 | H17 | 109.9° | 110.2° |
| H14 | C10 | H15 | 109.5° | 109.8° |
| C12 | C11 | H16 | 109.9° | 110.2° |
| C12 | C11 | H17 | 109.9° | 110.4° |
| C11 | C12 | H18 | 111.0° | 109.7° |
| C11 | C12 | H19 | 111.0° | 109.6° |
| H16 | C11 | H17 | 109.5° | 110.4° |
| H18 | C12 | H19 | 109.4° | 109.9° |
| C13 | N4 | H20 | 120.3° | 122.2° |
| N4 | C13 | C14 | 109.5° | 108.3° |
| N4 | C13 | C15 | 108.6° | 109.6° |
| N4 | C13 | H21 | 110.7° | 110.1° |
| C13 | N4 | C9 | 119.5° | 116.2° |
| H20 | N4 | C9 | 120.2° | 121.5° |
| C14 | C13 | C15 | 107.9° | 109.3° |
| C14 | C13 | H21 | 110.0° | 109.7° |
| C13 | C14 | O4 | 119.7° | 120.0° |
| C13 | C14 | N5 | 117.2° | 119.2° |
| C15 | C13 | H21 | 110.0° | 109.8° |
| C13 | C15 | C16 | 114.1° | 109.5° |
| C13 | C15 | H22 | 108.3° | 109.5° |
| C13 | C15 | H23 | 108.3° | 109.5° |
| O4 | C14 | N5 | 123.1° | 120.7° |
| C16 | C15 | H22 | 108.3° | 109.5° |
| C16 | C15 | H23 | 108.3° | 109.5° |
| C15 | C16 | C17 | 110.1° | 109.5° |
| C15 | C16 | C18 | 109.6° | 109.5° |
| C15 | C16 | H24 | 109.0° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.4° |
| C17 | C16 | C18 | 109.4° | 109.5° |
| C17 | C16 | H24 | 109.3° | 109.5° |
| C16 | C17 | H25 | 109.5° | 109.5° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C18 | C16 | H24 | 109.4° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.4° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| C19 | N5 | H31 | 120.8° | 120.9° |
| N5 | C19 | C20 | 107.9° | 108.2° |
| N5 | C19 | C21 | 112.5° | 109.4° |
| N5 | C19 | H32 | 109.2° | 109.7° |
| C19 | N5 | C14 | 118.5° | 117.6° |
| H31 | N5 | C14 | 120.7° | 121.5° |
| C20 | C19 | C21 | 110.9° | 109.3° |
| C20 | C19 | H32 | 108.1° | 110.0° |
| C19 | C20 | O5 | 119.4° | 119.4° |
| C19 | C20 | N6 | 117.9° | 119.4° |
| C21 | C19 | H32 | 108.1° | 110.1° |
| C19 | C21 | C22 | 109.4° | 109.5° |
| C19 | C21 | H33 | 109.5° | 109.5° |
| C19 | C21 | H34 | 109.5° | 109.4° |
| O5 | C20 | N6 | 122.5° | 121.1° |
| C22 | C21 | H33 | 109.5° | 109.5° |
| C22 | C21 | H34 | 109.5° | 109.5° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C21 | C22 | C24 | 120.9° | 120.0° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| C23 | C22 | C24 | 117.7° | 120.1° |
| C22 | C23 | C25 | 121.2° | 120.0° |
| C22 | C23 | H35 | 119.4° | 120.0° |
| C22 | C24 | C26 | 121.4° | 120.1° |
| C22 | C24 | H36 | 119.3° | 120.0° |
| C25 | C23 | H35 | 119.4° | 120.0° |
| C23 | C25 | C27 | 119.7° | 120.0° |
| C23 | C25 | H37 | 120.2° | 120.0° |
| C26 | C24 | H36 | 119.3° | 119.9° |
| C24 | C26 | C27 | 119.8° | 119.9° |
| C24 | C26 | H38 | 120.1° | 120.0° |
| C27 | C25 | H37 | 120.1° | 120.0° |
| C25 | C27 | C26 | 119.8° | 119.9° |
| C25 | C27 | O6 | 119.0° | 120.1° |
| C27 | C26 | H38 | 120.1° | 120.0° |
| C26 | C27 | O6 | 121.0° | 120.0° |
| C27 | O6 | H39 | 109.5° | 114.1° |
| C28 | N6 | H40 | 117.1° | 121.7° |
| N6 | C28 | C29 | 104.3° | 109.1° |
| N6 | C28 | C30 | 110.5° | 109.3° |
| N6 | C28 | H41 | 110.5° | 109.4° |
| C28 | N6 | C20 | 125.8° | 116.4° |
| H40 | N6 | C20 | 117.1° | 121.9° |
| C29 | C28 | C30 | 112.6° | 109.5° |
| C29 | C28 | H41 | 109.6° | 109.7° |
| C28 | C29 | O7 | 120.2° | 118.9° |
| C28 | C29 | N7 | 117.3° | 121.3° |
| C30 | C28 | H41 | 109.2° | 109.8° |
| C28 | C30 | C31 | 110.4° | 109.5° |
| C28 | C30 | C32 | 110.5° | 109.5° |
| C28 | C30 | H42 | 108.4° | 109.5° |
| O7 | C29 | N7 | 122.4° | 119.8° |
| C31 | C30 | C32 | 110.2° | 109.5° |
| C31 | C30 | H42 | 108.3° | 109.5° |
| C30 | C31 | C33 | 115.9° | 109.5° |
| C30 | C31 | H43 | 107.8° | 109.5° |
| C30 | C31 | H44 | 107.8° | 109.4° |
| C32 | C30 | H42 | 109.0° | 109.5° |
| C30 | C32 | H45 | 109.5° | 109.5° |
| C30 | C32 | H46 | 109.5° | 109.5° |
| C30 | C32 | H47 | 109.5° | 109.5° |
| C33 | C31 | H43 | 107.8° | 109.5° |
| C33 | C31 | H44 | 107.8° | 109.5° |
| C31 | C33 | H48 | 109.5° | 109.5° |
| C31 | C33 | H49 | 109.5° | 109.5° |
| C31 | C33 | H50 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| H45 | C32 | H46 | 109.5° | 109.4° |
| H45 | C32 | H47 | 109.4° | 109.4° |
| H46 | C32 | H47 | 109.5° | 109.4° |
| H48 | C33 | H49 | 109.5° | 109.5° |
| H48 | C33 | H50 | 109.4° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.4° |
| C34 | N7 | H51 | 118.8° | 120.9° |
| N7 | C34 | C35 | 115.1° | 109.0° |
| N7 | C34 | C36 | 110.8° | 109.7° |
| N7 | C34 | H52 | 107.0° | 109.9° |
| C34 | N7 | C29 | 122.3° | 116.7° |
| H51 | N7 | C29 | 118.8° | 122.5° |
| C35 | C34 | C36 | 110.7° | 109.7° |
| C35 | C34 | H52 | 106.4° | 108.8° |
| C34 | C35 | O8 | 118.6° | 118.9° |
| C34 | C35 | N8 | 119.2° | 121.2° |
| C36 | C34 | H52 | 106.3° | 109.6° |
| C34 | C36 | O9 | 109.0° | 109.5° |
| C34 | C36 | H53 | 109.6° | 109.5° |
| C34 | C36 | H54 | 109.6° | 109.4° |
| O8 | C35 | N8 | 122.3° | 119.8° |
| O9 | C36 | H53 | 109.6° | 109.5° |
| O9 | C36 | H54 | 109.6° | 109.5° |
| C36 | O9 | H55 | 109.5° | 114.0° |
| H53 | C36 | H54 | 109.5° | 109.4° |
| C37 | N8 | H56 | 118.7° | 122.1° |
| N8 | C37 | C38 | 114.0° | 108.8° |
| N8 | C37 | C39 | 110.2° | 109.0° |
| N8 | C37 | H57 | 107.9° | 109.9° |
| C37 | N8 | C35 | 122.5° | 116.2° |
| H56 | N8 | C35 | 118.7° | 121.6° |
| C38 | C37 | C39 | 110.4° | 109.5° |
| C38 | C37 | H57 | 107.0° | 109.5° |
| C37 | C38 | O10 | 119.3° | 118.2° |
| C37 | C38 | N9 | 118.0° | 123.2° |
| C39 | C37 | H57 | 107.0° | 110.0° |
| C37 | C39 | C40 | 112.1° | 109.5° |
| C37 | C39 | H58 | 108.8° | 109.5° |
| C37 | C39 | H59 | 108.8° | 109.5° |
| O10 | C38 | N9 | 122.6° | 118.6° |
| C40 | C39 | H58 | 108.8° | 109.5° |
| C40 | C39 | H59 | 108.8° | 109.5° |
| C39 | C40 | C41 | 121.0° | 119.9° |
| C39 | C40 | C42 | 121.0° | 120.0° |
| H58 | C39 | H59 | 109.5° | 109.4° |
| C41 | C40 | C42 | 118.0° | 120.1° |
| C40 | C41 | C43 | 121.5° | 120.0° |
| C40 | C41 | H60 | 119.3° | 120.0° |
| C40 | C42 | C44 | 121.1° | 120.1° |
| C40 | C42 | H61 | 119.4° | 119.9° |
| C43 | C41 | H60 | 119.2° | 119.9° |
| C41 | C43 | C45 | 119.5° | 120.0° |
| C41 | C43 | H62 | 120.2° | 120.0° |
| C44 | C42 | H61 | 119.5° | 120.0° |
| C42 | C44 | C45 | 119.9° | 119.9° |
| C42 | C44 | H63 | 120.0° | 120.0° |
| C45 | C43 | H62 | 120.2° | 120.0° |
| C43 | C45 | C44 | 119.9° | 119.9° |
| C43 | C45 | O11 | 119.2° | 120.1° |
| C45 | C44 | H63 | 120.1° | 120.0° |
| C44 | C45 | O11 | 120.9° | 120.0° |
| C45 | O11 | H64 | 109.5° | 114.0° |
| C46 | N9 | H65 | 119.8° | 122.0° |
| N9 | C46 | C47 | 104.9° | 112.4° |
| N9 | C46 | C48 | 109.1° | 110.4° |
| N9 | C46 | H66 | 111.1° | 107.0° |
| C46 | N9 | C38 | 120.4° | 115.9° |
| H65 | N9 | C38 | 119.8° | 122.0° |
| C47 | C46 | C48 | 111.4° | 111.9° |
| C47 | C46 | H66 | 110.0° | 107.2° |
| C46 | C47 | O12 | 119.9° | 117.5° |
| C46 | C47 | N10 | 118.5° | 125.8° |
| C48 | C46 | H66 | 110.3° | 107.7° |
| C46 | C48 | C49 | 114.9° | 109.5° |
| C46 | C48 | H67 | 108.1° | 109.5° |
| C46 | C48 | H68 | 108.1° | 109.4° |
| O12 | C47 | N10 | 121.6° | 116.8° |
| C49 | C48 | H67 | 108.1° | 109.5° |
| C49 | C48 | H68 | 108.1° | 109.5° |
| C48 | C49 | O13 | 118.4° | 120.0° |
| C48 | C49 | O14 | 117.9° | 120.0° |
| H67 | C48 | H68 | 109.5° | 109.4° |
| O13 | C49 | O14 | 123.7° | 120.0° |
| C49 | O14 | H69 | 109.5° | 117.0° |
| C50 | N10 | C54 | 112.2° | 108.6° |
| N10 | C50 | C51 | 113.7° | 112.9° |
| N10 | C50 | C52 | 104.1° | 109.1° |
| N10 | C50 | H70 | 109.7° | 106.8° |
| C50 | N10 | C47 | 119.5° | 123.6° |
| N10 | C54 | C53 | 102.8° | 108.6° |
| N10 | C54 | H75 | 111.1° | 110.1° |
| N10 | C54 | H76 | 111.1° | 110.6° |
| C54 | N10 | C47 | 128.2° | 127.8° |
| C51 | C50 | C52 | 111.4° | 111.8° |
| C51 | C50 | H70 | 109.0° | 108.4° |
| C50 | C51 | O15 | 120.2° | 119.4° |
| C50 | C51 | N11 | 117.2° | 121.6° |
| C52 | C50 | H70 | 108.8° | 107.6° |
| C50 | C52 | C53 | 106.6° | 104.2° |
| C50 | C52 | H71 | 110.2° | 110.9° |
| C50 | C52 | H72 | 110.2° | 110.5° |
| O15 | C51 | N11 | 122.6° | 119.0° |
| C53 | C52 | H71 | 110.2° | 110.6° |
| C53 | C52 | H72 | 110.2° | 109.9° |
| C52 | C53 | C54 | 108.0° | 105.4° |
| C52 | C53 | H73 | 109.8° | 111.0° |
| C52 | C53 | H74 | 109.8° | 110.4° |
| H71 | C52 | H72 | 109.5° | 110.5° |
| C54 | C53 | H73 | 109.8° | 110.3° |
| C54 | C53 | H74 | 109.8° | 109.4° |
| C53 | C54 | H75 | 111.1° | 107.9° |
| C53 | C54 | H76 | 111.1° | 110.1° |
| H73 | C53 | H74 | 109.5° | 110.3° |
| H75 | C54 | H76 | 109.5° | 109.6° |
| C55 | N11 | H77 | 119.9° | 121.2° |
| N11 | C55 | C56 | 111.0° | 112.5° |
| N11 | C55 | C57 | 111.4° | 108.6° |
| N11 | C55 | H78 | 107.9° | 109.2° |
| C55 | N11 | C51 | 120.2° | 118.1° |
| H77 | N11 | C51 | 119.9° | 120.7° |
| C56 | C55 | C57 | 112.4° | 109.0° |
| C56 | C55 | H78 | 107.0° | 108.9° |
| C55 | C56 | O16 | 121.1° | 121.0° |
| C55 | C56 | N12 | 116.9° | 117.3° |
| C57 | C55 | H78 | 106.9° | 108.6° |
| C55 | C57 | C58 | 110.1° | 109.5° |
| C55 | C57 | C59 | 110.3° | 109.5° |
| C55 | C57 | H79 | 108.3° | 109.5° |
| O16 | C56 | N12 | 122.0° | 121.7° |
| C58 | C57 | C59 | 110.9° | 109.4° |
| C58 | C57 | H79 | 108.6° | 109.5° |
| C57 | C58 | H80 | 109.5° | 109.5° |
| C57 | C58 | H81 | 109.5° | 109.5° |
| C57 | C58 | H82 | 109.4° | 109.5° |
| C59 | C57 | H79 | 108.6° | 109.5° |
| C57 | C59 | H83 | 109.5° | 109.4° |
| C57 | C59 | H84 | 109.5° | 109.4° |
| C57 | C59 | H85 | 109.5° | 109.5° |
| H80 | C58 | H81 | 109.5° | 109.5° |
| H80 | C58 | H82 | 109.5° | 109.5° |
| H81 | C58 | H82 | 109.5° | 109.5° |
| H83 | C59 | H84 | 109.5° | 109.5° |
| H83 | C59 | H85 | 109.4° | 109.5° |
| H84 | C59 | H85 | 109.5° | 109.5° |
| C60 | N12 | H86 | 119.8° | 120.4° |
| N12 | C60 | C61 | 111.9° | 109.9° |
| N12 | C60 | C62 | 111.2° | 107.3° |
| N12 | C60 | H87 | 108.3° | 110.1° |
| C60 | N12 | C56 | 120.4° | 118.2° |
| H86 | N12 | C56 | 119.8° | 121.4° |
| C61 | C60 | C62 | 109.6° | 109.5° |
| C61 | C60 | H87 | 107.9° | 109.8° |
| C60 | C61 | O17 | 118.6° | 120.0° |
| C60 | C61 | N13 | 116.8° | 120.1° |
| C62 | C60 | H87 | 107.7° | 110.2° |
| C60 | C62 | S2 | 114.9° | 110.4° |
| C60 | C62 | H88 | 108.1° | 109.1° |
| C60 | C62 | H89 | 108.1° | 109.4° |
| O17 | C61 | N13 | 124.6° | 120.0° |
| S2 | C62 | H88 | 108.1° | 109.2° |
| S2 | C62 | H89 | 108.1° | 109.4° |
| C62 | S2 | C4 | 101.7° | 102.9° |
| H88 | C62 | H89 | 109.5° | 109.3° |
| C63 | N13 | H90 | 119.7° | 120.0° |
| N13 | C63 | C64 | 110.3° | 109.5° |
| N13 | C63 | C65 | 111.0° | 109.5° |
| N13 | C63 | H91 | 109.1° | 109.5° |
| C63 | N13 | C61 | 120.6° | 120.0° |
| H90 | N13 | C61 | 119.7° | 120.0° |
| C64 | C63 | C65 | 109.8° | 109.5° |
| C64 | C63 | H91 | 108.2° | 109.5° |
| C63 | C64 | O18 | 118.9° | 120.0° |
| C63 | C64 | N17 | 117.9° | 120.0° |
| C65 | C63 | H91 | 108.4° | 109.5° |
| C63 | C65 | C66 | 116.7° | 109.5° |
| C63 | C65 | H92 | 107.6° | 109.5° |
| C63 | C65 | H93 | 107.6° | 109.5° |
| O18 | C64 | N17 | 122.5° | 120.0° |
| C66 | C65 | H92 | 107.6° | 109.5° |
| C66 | C65 | H93 | 107.7° | 109.5° |
| C65 | C66 | C67 | 105.4° | 109.5° |
| C65 | C66 | H94 | 110.5° | 109.5° |
| C65 | C66 | H95 | 110.5° | 109.5° |
| H92 | C65 | H93 | 109.5° | 109.5° |
| C67 | C66 | H94 | 110.5° | 109.5° |
| C67 | C66 | H95 | 110.5° | 109.5° |
| C66 | C67 | N14 | 114.8° | 109.5° |
| C66 | C67 | H96 | 108.1° | 109.4° |
| C66 | C67 | H97 | 108.1° | 109.5° |
| H94 | C66 | H95 | 109.5° | 109.4° |
| N14 | C67 | H96 | 108.2° | 109.4° |
| N14 | C67 | H97 | 108.1° | 109.5° |
| C67 | N14 | C68 | 124.1° | 120.0° |
| C67 | N14 | H98 | 117.9° | 120.0° |
| H96 | C67 | H97 | 109.5° | 109.5° |
| C68 | N14 | H98 | 118.0° | 119.9° |
| N14 | C68 | N15 | 120.3° | 120.0° |
| N14 | C68 | N16 | 120.4° | 120.0° |
| N15 | C68 | N16 | 119.4° | 120.0° |
| C68 | N15 | H99 | 120.0° | 120.0° |
| C68 | N15 | H100 | 120.0° | 120.0° |
| C68 | N16 | H101 | 120.0° | 120.0° |
| C68 | N16 | H102 | 120.0° | 120.0° |
| H99 | N15 | H100 | 120.0° | 120.0° |
| H101 | N16 | H102 | 120.0° | 120.0° |
| C69 | N17 | H103 | 134.8° | 120.0° |
| N17 | C69 | C70 | 90.0° | 109.5° |
| N17 | C69 | C71 | 90.0° | 109.5° |
| N17 | C69 | H104 | 90.0° | 109.5° |
| C69 | N17 | C64 | 90.4° | 120.0° |
| H103 | N17 | C64 | 134.8° | 120.0° |
| C70 | C69 | C71 | 90.0° | 109.4° |
| C70 | C69 | H104 | 90.0° | 109.5° |
| C69 | C70 | O19 | 90.0° | 120.0° |
| C69 | C70 | O20 | 90.0° | 120.0° |
| C71 | C69 | H104 | 90.0° | 109.5° |
| C69 | C71 | H105 | 90.0° | 109.5° |
| C69 | C71 | H106 | 90.0° | 109.5° |
| C69 | C71 | H107 | 90.0° | 109.5° |
| O19 | C70 | O20 | 90.0° | 120.0° |
| C70 | O20 | H108 | 90.0° | 117.0° |
| H105 | C71 | H106 | 90.0° | 109.5° |
| H105 | C71 | H107 | 90.0° | 109.4° |
| H106 | C71 | H107 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 122.4° | 120.1° |
| N1 | C1 | C2 | H3 | 119.6° | 120.0° |
| N1 | C1 | C3 | H3 | 119.0° | 120.0° |
| N1 | C1 | C2 | O1 | 147.5° | 0.0° |
| N1 | C1 | C3 | H4 | 180.0° | 180.0° |
| N1 | C1 | C3 | H5 | 60.0° | 60.0° |
| N1 | C1 | C3 | H6 | 60.0° | 60.0° |
| N1 | C1 | C2 | N2 | 30.9° | 180.0° |
| H1 | N1 | C1 | C2 | 180.0° | 180.0° |
| H1 | N1 | C1 | C3 | 57.2° | 59.9° |
| H1 | N1 | C1 | H3 | 61.1° | 60.1° |
| H2 | N1 | C1 | C2 | 60.0° | 56.0° |
| H2 | N1 | C1 | C3 | 177.2° | 176.0° |
| H2 | N1 | C1 | H3 | 58.9° | 64.0° |
| C2 | C1 | C3 | H3 | 117.9° | 120.0° |
| C1 | C2 | O1 | N2 | 178.3° | 179.9° |
| C2 | C1 | C3 | H4 | 56.9° | 60.0° |
| C2 | C1 | C3 | H5 | 176.9° | 180.0° |
| C2 | C1 | C3 | H6 | 63.1° | 60.0° |
| C1 | C2 | N2 | C6 | 179.9° | 180.0° |
| C1 | C2 | N2 | H9 | 0.0° | 0.1° |
| C3 | C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C1 | C2 | N2 | 91.6° | 59.9° |
| H3 | C1 | C2 | O1 | 27.9° | 120.0° |
| H3 | C1 | C3 | H4 | 61.0° | 60.0° |
| H3 | C1 | C3 | H5 | 59.0° | 60.0° |
| H3 | C1 | C3 | H6 | 179.0° | 180.0° |
| H3 | C1 | C2 | N2 | 150.5° | 60.0° |
| O1 | C2 | N2 | C6 | 1.7° | 0.0° |
| O1 | C2 | N2 | H9 | 178.3° | 180.0° |
| H4 | C3 | H5 | H6 | 119.9° | 120.0° |
| S1 | C4 | H7 | H8 | 118.2° | 120.0° |
| S1 | C4 | H7 | S2 | 123.6° | 120.1° |
| S1 | C4 | H8 | S2 | 123.6° | 119.9° |
| C4 | S1 | C5 | C6 | 80.7° | 178.3° |
| C4 | S1 | C5 | H10 | 158.7° | 61.8° |
| C4 | S1 | C5 | H11 | 39.8° | 58.2° |
| S1 | C4 | S2 | C62 | 90.5° | 133.2° |
| H7 | C4 | H8 | S2 | 118.2° | 120.0° |
| H7 | C4 | S1 | C5 | 168.9° | 93.0° |
| H7 | C4 | S2 | C62 | 30.1° | 106.6° |
| H8 | C4 | S1 | C5 | 50.1° | 27.0° |
| H8 | C4 | S2 | C62 | 148.9° | 13.4° |
| C6 | N2 | H9 | C2 | 180.0° | 180.0° |
| N2 | C6 | C5 | S1 | 59.9° | 35.7° |
| N2 | C6 | C5 | C7 | 118.9° | 120.3° |
| N2 | C6 | C5 | H12 | 121.0° | 119.7° |
| N2 | C6 | C5 | H10 | 60.7° | 83.9° |
| N2 | C6 | C5 | H11 | 179.6° | 155.5° |
| N2 | C6 | C7 | H12 | 119.8° | 119.9° |
| N2 | C6 | C7 | O2 | 110.3° | 89.6° |
| N2 | C6 | C7 | N3 | 74.4° | 90.6° |
| H9 | N2 | C6 | C5 | 73.6° | 95.0° |
| H9 | N2 | C6 | C7 | 46.6° | 25.5° |
| H9 | N2 | C6 | H12 | 165.9° | 145.4° |
| S1 | C5 | C6 | H10 | 120.5° | 119.6° |
| S1 | C5 | C6 | H11 | 120.6° | 119.9° |
| S1 | C5 | H10 | H11 | 118.3° | 119.8° |
| S1 | C5 | C6 | C7 | 178.7° | 156.0° |
| S1 | C5 | C6 | H12 | 61.2° | 84.0° |
| C5 | S1 | C4 | S2 | 70.5° | 146.8° |
| C6 | C5 | H10 | H11 | 118.3° | 120.5° |
| C5 | C6 | C7 | H12 | 120.1° | 119.8° |
| C5 | C6 | C7 | O2 | 9.7° | 30.7° |
| C5 | C6 | N2 | C2 | 106.5° | 85.0° |
| C5 | C6 | C7 | N3 | 165.5° | 149.1° |
| H10 | C5 | C6 | C7 | 58.2° | 36.4° |
| H10 | C5 | C6 | H12 | 178.3° | 156.4° |
| H11 | C5 | C6 | C7 | 60.7° | 84.2° |
| H11 | C5 | C6 | H12 | 59.4° | 35.9° |
| C6 | C7 | O2 | N3 | 175.1° | 179.8° |
| C6 | C7 | N3 | C8 | 6.4° | 179.2° |
| C6 | C7 | N3 | C12 | 175.2° | 0.7° |
| C7 | C6 | N2 | C2 | 133.4° | 154.5° |
| H12 | C6 | C7 | O2 | 129.9° | 150.5° |
| H12 | C6 | N2 | C2 | 14.1° | 34.5° |
| H12 | C6 | C7 | N3 | 45.4° | 29.3° |
| O2 | C7 | N3 | C8 | 178.3° | 1.0° |
| O2 | C7 | N3 | C12 | 9.5° | 179.1° |
| C8 | N3 | C12 | C7 | 170.4° | 179.9° |
| N3 | C8 | C9 | C10 | 116.9° | 119.0° |
| N3 | C8 | C9 | H13 | 123.8° | 121.0° |
| N3 | C8 | C10 | H13 | 117.2° | 120.6° |
| N3 | C8 | C9 | O3 | 157.6° | 77.0° |
| N3 | C8 | C10 | C11 | 9.8° | 3.2° |
| N3 | C8 | C10 | H14 | 109.8° | 116.0° |
| N3 | C8 | C10 | H15 | 129.3° | 122.7° |
| C8 | N3 | C12 | C11 | 20.1° | 13.1° |
| C8 | N3 | C12 | H18 | 139.1° | 132.8° |
| C8 | N3 | C12 | H19 | 99.0° | 106.5° |
| N3 | C8 | C9 | N4 | 23.8° | 103.2° |
| C12 | N3 | C8 | C9 | 113.3° | 113.2° |
| C12 | N3 | C8 | C10 | 6.7° | 6.1° |
| C12 | N3 | C8 | H13 | 123.3° | 126.4° |
| N3 | C12 | C11 | C10 | 25.8° | 14.7° |
| N3 | C12 | C11 | H18 | 119.1° | 119.7° |
| N3 | C12 | C11 | H19 | 119.1° | 119.6° |
| N3 | C12 | C11 | H16 | 145.5° | 133.5° |
| N3 | C12 | C11 | H17 | 93.9° | 104.3° |
| N3 | C12 | H18 | H19 | 122.8° | 120.4° |
| C9 | C8 | C10 | H13 | 119.5° | 119.6° |
| C8 | C9 | O3 | N4 | 178.6° | 179.7° |
| C9 | C8 | C10 | C11 | 133.1° | 123.0° |
| C9 | C8 | C10 | H14 | 13.5° | 3.7° |
| C9 | C8 | C10 | H15 | 107.4° | 117.5° |
| C8 | C9 | N4 | C13 | 179.0° | 178.6° |
| C8 | C9 | N4 | H20 | 0.9° | 1.5° |
| C9 | C8 | N3 | C7 | 77.1° | 66.7° |
| C10 | C8 | C9 | O3 | 85.6° | 42.0° |
| C8 | C10 | C11 | H14 | 119.5° | 119.4° |
| C8 | C10 | C11 | H15 | 119.5° | 119.2° |
| C8 | C10 | H14 | H15 | 121.3° | 121.3° |
| C8 | C10 | C11 | C12 | 22.4° | 10.7° |
| C8 | C10 | C11 | H16 | 142.1° | 129.5° |
| C8 | C10 | C11 | H17 | 97.3° | 108.4° |
| C10 | C8 | N3 | C7 | 162.9° | 174.0° |
| C10 | C8 | C9 | N4 | 93.1° | 137.8° |
| H13 | C8 | C9 | O3 | 33.8° | 162.0° |
| H13 | C8 | C10 | C11 | 107.4° | 117.4° |
| H13 | C8 | C10 | H14 | 133.0° | 123.4° |
| H13 | C8 | C10 | H15 | 12.1° | 2.1° |
| H13 | C8 | N3 | C7 | 46.3° | 53.7° |
| H13 | C8 | C9 | N4 | 147.6° | 17.8° |
| O3 | C9 | N4 | C13 | 2.3° | 1.7° |
| O3 | C9 | N4 | H20 | 177.7° | 178.3° |
| C11 | C10 | H14 | H15 | 121.3° | 121.8° |
| C10 | C11 | C12 | H16 | 119.7° | 118.8° |
| C10 | C11 | C12 | H17 | 119.7° | 118.9° |
| C10 | C11 | H16 | H17 | 120.9° | 122.0° |
| C10 | C11 | C12 | H18 | 144.8° | 134.4° |
| C10 | C11 | C12 | H19 | 93.3° | 104.9° |
| H14 | C10 | C11 | C12 | 97.1° | 108.7° |
| H14 | C10 | C11 | H16 | 22.6° | 10.2° |
| H14 | C10 | C11 | H17 | 143.2° | 132.2° |
| H15 | C10 | C11 | C12 | 141.9° | 129.9° |
| H15 | C10 | C11 | H16 | 98.3° | 111.3° |
| H15 | C10 | C11 | H17 | 22.2° | 10.8° |
| C12 | C11 | H16 | H17 | 120.9° | 122.3° |
| C11 | C12 | H18 | H19 | 122.8° | 120.5° |
| C11 | C12 | N3 | C7 | 150.3° | 167.0° |
| H16 | C11 | C12 | H18 | 95.4° | 106.8° |
| H16 | C11 | C12 | H19 | 26.5° | 14.0° |
| H17 | C11 | C12 | H18 | 25.2° | 15.5° |
| H17 | C11 | C12 | H19 | 147.1° | 136.2° |
| H18 | C12 | N3 | C7 | 31.3° | 47.3° |
| H19 | C12 | N3 | C7 | 90.6° | 73.4° |
| C13 | N4 | H20 | C9 | 180.0° | 180.0° |
| N4 | C13 | C14 | C15 | 118.1° | 119.4° |
| N4 | C13 | C14 | H21 | 121.9° | 120.2° |
| N4 | C13 | C15 | H21 | 121.3° | 121.0° |
| N4 | C13 | C14 | O4 | 34.7° | 10.2° |
| N4 | C13 | C15 | C16 | 72.5° | 173.5° |
| N4 | C13 | C15 | H22 | 48.1° | 53.5° |
| N4 | C13 | C15 | H23 | 166.8° | 66.5° |
| N4 | C13 | C14 | N5 | 147.1° | 169.7° |
| H20 | N4 | C13 | C14 | 88.8° | 22.6° |
| H20 | N4 | C13 | C15 | 28.8° | 96.6° |
| H20 | N4 | C13 | H21 | 149.7° | 142.6° |
| C14 | C13 | C15 | H21 | 120.0° | 120.4° |
| C13 | C14 | O4 | N5 | 178.1° | 179.9° |
| C14 | C13 | C15 | C16 | 168.8° | 67.9° |
| C14 | C13 | C15 | H22 | 70.5° | 172.0° |
| C14 | C13 | C15 | H23 | 48.1° | 52.1° |
| C13 | C14 | N5 | C19 | 175.1° | 179.0° |
| C13 | C14 | N5 | H31 | 5.0° | 0.7° |
| C14 | C13 | N4 | C9 | 91.2° | 157.3° |
| C15 | C13 | C14 | O4 | 83.3° | 109.2° |
| C13 | C15 | C16 | H22 | 120.7° | 120.0° |
| C13 | C15 | C16 | H23 | 120.7° | 120.0° |
| C13 | C15 | H22 | H23 | 117.9° | 120.0° |
| C13 | C15 | C16 | C17 | 162.7° | 63.0° |
| C13 | C15 | C16 | C18 | 77.0° | 177.0° |
| C13 | C15 | C16 | H24 | 42.8° | 57.0° |
| C15 | C13 | N4 | C9 | 151.2° | 83.5° |
| C15 | C13 | C14 | N5 | 94.9° | 70.9° |
| H21 | C13 | C14 | O4 | 156.7° | 130.4° |
| H21 | C13 | C15 | C16 | 48.8° | 52.5° |
| H21 | C13 | C15 | H22 | 169.5° | 67.5° |
| H21 | C13 | C15 | H23 | 71.9° | 172.5° |
| H21 | C13 | N4 | C9 | 30.3° | 37.4° |
| H21 | C13 | C14 | N5 | 25.1° | 49.5° |
| O4 | C14 | N5 | C19 | 3.1° | 1.1° |
| O4 | C14 | N5 | H31 | 176.9° | 179.2° |
| C16 | C15 | H22 | H23 | 117.9° | 120.0° |
| C15 | C16 | C17 | C18 | 120.5° | 120.0° |
| C15 | C16 | C17 | H24 | 119.7° | 120.0° |
| C15 | C16 | C18 | H24 | 119.5° | 120.0° |
| C15 | C16 | C17 | H25 | 180.0° | 64.5° |
| C15 | C16 | C17 | H26 | 60.0° | 175.5° |
| C15 | C16 | C17 | H27 | 60.0° | 55.5° |
| C15 | C16 | C18 | H28 | 180.0° | 60.0° |
| C15 | C16 | C18 | H29 | 60.0° | 180.0° |
| C15 | C16 | C18 | H30 | 60.0° | 60.0° |
| H22 | C15 | C16 | C17 | 42.0° | 57.0° |
| H22 | C15 | C16 | C18 | 162.3° | 63.0° |
| H22 | C15 | C16 | H24 | 77.9° | 177.0° |
| H23 | C15 | C16 | C17 | 76.6° | 177.0° |
| H23 | C15 | C16 | C18 | 43.7° | 57.0° |
| H23 | C15 | C16 | H24 | 163.5° | 63.0° |
| C17 | C16 | C18 | H24 | 119.7° | 120.0° |
| C16 | C17 | H25 | H26 | 120.0° | 120.0° |
| C16 | C17 | H25 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C17 | C16 | C18 | H28 | 59.3° | 180.0° |
| C17 | C16 | C18 | H29 | 60.7° | 60.0° |
| C17 | C16 | C18 | H30 | 179.3° | 60.0° |
| C18 | C16 | C17 | H25 | 59.6° | 55.5° |
| C18 | C16 | C17 | H26 | 179.5° | 64.5° |
| C18 | C16 | C17 | H27 | 60.4° | 175.5° |
| C16 | C18 | H28 | H29 | 120.0° | 120.0° |
| C16 | C18 | H28 | H30 | 120.0° | 120.0° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| H24 | C16 | C17 | H25 | 60.3° | 175.5° |
| H24 | C16 | C17 | H26 | 59.7° | 55.5° |
| H24 | C16 | C17 | H27 | 179.7° | 64.5° |
| H24 | C16 | C18 | H28 | 60.5° | 60.0° |
| H24 | C16 | C18 | H29 | 179.5° | 60.0° |
| H24 | C16 | C18 | H30 | 59.5° | 180.0° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| C19 | N5 | H31 | C14 | 180.0° | 179.7° |
| N5 | C19 | C20 | C21 | 123.6° | 119.1° |
| N5 | C19 | C20 | H32 | 118.0° | 119.9° |
| N5 | C19 | C21 | H32 | 120.7° | 120.7° |
| N5 | C19 | C20 | O5 | 61.2° | 69.6° |
| N5 | C19 | C21 | C22 | 176.0° | 65.0° |
| N5 | C19 | C21 | H33 | 56.0° | 55.0° |
| N5 | C19 | C21 | H34 | 64.0° | 175.0° |
| N5 | C19 | C20 | N6 | 113.4° | 109.8° |
| H31 | N5 | C19 | C20 | 97.1° | 36.7° |
| H31 | N5 | C19 | C21 | 25.5° | 82.2° |
| H31 | N5 | C19 | H32 | 145.6° | 156.8° |
| C20 | C19 | C21 | H32 | 118.4° | 121.0° |
| C19 | C20 | O5 | N6 | 174.3° | 179.4° |
| C20 | C19 | C21 | C22 | 63.0° | 176.6° |
| C20 | C19 | C21 | H33 | 177.0° | 63.3° |
| C20 | C19 | C21 | H34 | 57.0° | 56.7° |
| C19 | C20 | N6 | C28 | 179.6° | 177.3° |
| C19 | C20 | N6 | H40 | 0.4° | 2.4° |
| C20 | C19 | N5 | C14 | 82.9° | 143.0° |
| C21 | C19 | C20 | O5 | 62.4° | 49.5° |
| C19 | C21 | C22 | H33 | 120.0° | 120.0° |
| C19 | C21 | C22 | H34 | 120.0° | 120.0° |
| C19 | C21 | H33 | H34 | 120.0° | 120.0° |
| C19 | C21 | C22 | C23 | 76.2° | 90.0° |
| C19 | C21 | C22 | C24 | 95.4° | 90.3° |
| C21 | C19 | N5 | C14 | 154.4° | 98.0° |
| C21 | C19 | C20 | N6 | 123.0° | 131.1° |
| H32 | C19 | C20 | O5 | 179.2° | 170.5° |
| H32 | C19 | C21 | C22 | 55.3° | 55.7° |
| H32 | C19 | C21 | H33 | 64.7° | 175.7° |
| H32 | C19 | C21 | H34 | 175.4° | 64.3° |
| H32 | C19 | N5 | C14 | 34.4° | 22.9° |
| H32 | C19 | C20 | N6 | 4.6° | 10.1° |
| O5 | C20 | N6 | C28 | 6.0° | 2.1° |
| O5 | C20 | N6 | H40 | 174.0° | 178.2° |
| C22 | C21 | H33 | H34 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 171.8° | 179.7° |
| C21 | C22 | C23 | C25 | 176.0° | 180.0° |
| C21 | C22 | C23 | H35 | 4.0° | 0.0° |
| C21 | C22 | C24 | C26 | 176.7° | 180.0° |
| C21 | C22 | C24 | H36 | 3.4° | 0.1° |
| H33 | C21 | C22 | C23 | 43.8° | 30.0° |
| H33 | C21 | C22 | C24 | 144.7° | 149.7° |
| H34 | C21 | C22 | C23 | 163.8° | 150.0° |
| H34 | C21 | C22 | C24 | 24.7° | 29.7° |
| C22 | C23 | C25 | H35 | 180.0° | 180.0° |
| C23 | C22 | C24 | C26 | 4.9° | 0.3° |
| C23 | C22 | C24 | H36 | 175.1° | 179.8° |
| C22 | C23 | C25 | C27 | 4.3° | 0.1° |
| C22 | C23 | C25 | H37 | 175.7° | 180.0° |
| C24 | C22 | C23 | C25 | 4.3° | 0.2° |
| C24 | C22 | C23 | H35 | 175.8° | 179.8° |
| C22 | C24 | C26 | H36 | 180.0° | 179.9° |
| C22 | C24 | C26 | C27 | 5.5° | 0.0° |
| C22 | C24 | C26 | H38 | 174.4° | 180.0° |
| C23 | C25 | C27 | H37 | 180.0° | 179.9° |
| C23 | C25 | C27 | C26 | 4.8° | 0.4° |
| C23 | C25 | C27 | O6 | 179.9° | 180.0° |
| H35 | C23 | C25 | C27 | 175.7° | 179.9° |
| H35 | C23 | C25 | H37 | 4.3° | 0.0° |
| C24 | C26 | C27 | C25 | 5.4° | 0.3° |
| C24 | C26 | C27 | H38 | 180.0° | 179.9° |
| C24 | C26 | C27 | O6 | 179.6° | 180.0° |
| H36 | C24 | C26 | C27 | 174.5° | 179.9° |
| H36 | C24 | C26 | H38 | 5.5° | 0.1° |
| C25 | C27 | C26 | O6 | 175.0° | 179.7° |
| C25 | C27 | C26 | H38 | 174.6° | 179.6° |
| C25 | C27 | O6 | H39 | 180.0° | 89.9° |
| H37 | C25 | C27 | C26 | 175.2° | 179.8° |
| H37 | C25 | C27 | O6 | 0.1° | 0.1° |
| C26 | C27 | O6 | H39 | 4.9° | 89.7° |
| H38 | C26 | C27 | O6 | 0.4° | 0.0° |
| C28 | N6 | H40 | C20 | 180.0° | 179.7° |
| N6 | C28 | C29 | C30 | 119.9° | 119.6° |
| N6 | C28 | C29 | H41 | 118.4° | 119.8° |
| N6 | C28 | C30 | H41 | 121.8° | 120.0° |
| N6 | C28 | C29 | O7 | 58.7° | 12.1° |
| N6 | C28 | C30 | C31 | 62.2° | 53.8° |
| N6 | C28 | C30 | C32 | 175.6° | 66.2° |
| N6 | C28 | C30 | H42 | 56.2° | 173.7° |
| N6 | C28 | C29 | N7 | 117.6° | 168.1° |
| H40 | N6 | C28 | C29 | 53.6° | 16.9° |
| H40 | N6 | C28 | C30 | 67.7° | 102.9° |
| H40 | N6 | C28 | H41 | 171.3° | 136.8° |
| C29 | C28 | C30 | H41 | 122.0° | 120.5° |
| C28 | C29 | O7 | N7 | 176.1° | 179.8° |
| C29 | C28 | C30 | C31 | 178.4° | 65.7° |
| C29 | C28 | C30 | C32 | 59.4° | 174.3° |
| C29 | C28 | C30 | H42 | 60.0° | 54.3° |
| C28 | C29 | N7 | C34 | 171.1° | 174.9° |
| C28 | C29 | N7 | H51 | 8.9° | 4.9° |
| C29 | C28 | N6 | C20 | 126.4° | 163.5° |
| C30 | C28 | C29 | O7 | 61.2° | 131.7° |
| C28 | C30 | C31 | C32 | 122.4° | 120.0° |
| C28 | C30 | C31 | H42 | 118.5° | 120.0° |
| C28 | C30 | C32 | H42 | 119.0° | 120.0° |
| C28 | C30 | C31 | C33 | 171.8° | 173.8° |
| C28 | C30 | C31 | H43 | 67.3° | 66.2° |
| C28 | C30 | C31 | H44 | 50.9° | 53.8° |
| C28 | C30 | C32 | H45 | 180.0° | 171.9° |
| C28 | C30 | C32 | H46 | 60.0° | 51.9° |
| C28 | C30 | C32 | H47 | 60.0° | 68.1° |
| C30 | C28 | N6 | C20 | 112.3° | 76.8° |
| C30 | C28 | C29 | N7 | 122.5° | 48.5° |
| H41 | C28 | C29 | O7 | 177.0° | 107.8° |
| H41 | C28 | C30 | C31 | 59.6° | 173.8° |
| H41 | C28 | C30 | C32 | 62.6° | 53.8° |
| H41 | C28 | C30 | H42 | 178.1° | 66.2° |
| H41 | C28 | N6 | C20 | 8.7° | 43.5° |
| H41 | C28 | C29 | N7 | 0.8° | 72.0° |
| O7 | C29 | N7 | C34 | 5.1° | 5.3° |
| O7 | C29 | N7 | H51 | 174.9° | 174.9° |
| C31 | C30 | C32 | H42 | 118.6° | 120.0° |
| C30 | C31 | C33 | H43 | 120.9° | 120.0° |
| C30 | C31 | C33 | H44 | 120.9° | 120.0° |
| C30 | C31 | H43 | H44 | 117.0° | 120.0° |
| C31 | C30 | C32 | H45 | 57.7° | 68.1° |
| C31 | C30 | C32 | H46 | 177.7° | 171.9° |
| C31 | C30 | C32 | H47 | 62.3° | 51.9° |
| C30 | C31 | C33 | H48 | 180.0° | 175.9° |
| C30 | C31 | C33 | H49 | 60.0° | 56.0° |
| C30 | C31 | C33 | H50 | 60.0° | 64.0° |
| C32 | C30 | C31 | C33 | 65.8° | 66.2° |
| C32 | C30 | C31 | H43 | 55.1° | 53.8° |
| C32 | C30 | C31 | H44 | 173.2° | 173.8° |
| C30 | C32 | H45 | H46 | 120.0° | 120.0° |
| C30 | C32 | H45 | H47 | 120.0° | 120.0° |
| C30 | C32 | H46 | H47 | 120.0° | 120.0° |
| H42 | C30 | C31 | C33 | 53.3° | 53.8° |
| H42 | C30 | C31 | H43 | 174.2° | 173.8° |
| H42 | C30 | C31 | H44 | 67.7° | 66.2° |
| H42 | C30 | C32 | H45 | 61.0° | 51.9° |
| H42 | C30 | C32 | H46 | 59.0° | 68.1° |
| H42 | C30 | C32 | H47 | 179.1° | 171.9° |
| C33 | C31 | H43 | H44 | 117.1° | 120.0° |
| C31 | C33 | H48 | H49 | 120.0° | 120.0° |
| C31 | C33 | H48 | H50 | 120.0° | 120.1° |
| C31 | C33 | H49 | H50 | 120.0° | 120.0° |
| H43 | C31 | C33 | H48 | 59.0° | 64.1° |
| H43 | C31 | C33 | H49 | 179.0° | 175.9° |
| H43 | C31 | C33 | H50 | 60.9° | 56.0° |
| H44 | C31 | C33 | H48 | 59.1° | 56.0° |
| H44 | C31 | C33 | H49 | 60.9° | 64.0° |
| H44 | C31 | C33 | H50 | 179.1° | 176.0° |
| H45 | C32 | H46 | H47 | 119.9° | 119.9° |
| H48 | C33 | H49 | H50 | 120.0° | 120.0° |
| C34 | N7 | H51 | C29 | 180.0° | 179.9° |
| N7 | C34 | C35 | C36 | 126.6° | 120.2° |
| N7 | C34 | C35 | H52 | 118.3° | 119.9° |
| N7 | C34 | C36 | H52 | 115.9° | 120.8° |
| N7 | C34 | C35 | O8 | 143.7° | 54.8° |
| N7 | C34 | C36 | O9 | 71.7° | 65.0° |
| N7 | C34 | C36 | H53 | 168.4° | 174.9° |
| N7 | C34 | C36 | H54 | 48.3° | 55.0° |
| N7 | C34 | C35 | N8 | 36.2° | 125.6° |
| H51 | N7 | C34 | C35 | 124.3° | 65.1° |
| H51 | N7 | C34 | C36 | 2.3° | 55.1° |
| H51 | N7 | C34 | H52 | 117.7° | 175.7° |
| C35 | C34 | C36 | H52 | 115.1° | 119.5° |
| C34 | C35 | O8 | N8 | 180.0° | 179.6° |
| C35 | C34 | C36 | O9 | 57.3° | 54.7° |
| C35 | C34 | C36 | H53 | 62.6° | 65.3° |
| C35 | C34 | C36 | H54 | 177.2° | 174.8° |
| C34 | C35 | N8 | C37 | 177.5° | 179.0° |
| C34 | C35 | N8 | H56 | 2.5° | 1.1° |
| C35 | C34 | N7 | C29 | 55.7° | 114.8° |
| C36 | C34 | C35 | O8 | 89.6° | 65.3° |
| C34 | C36 | O9 | H53 | 119.9° | 120.0° |
| C34 | C36 | O9 | H54 | 119.9° | 120.0° |
| C34 | C36 | H53 | H54 | 120.2° | 119.9° |
| C34 | C36 | O9 | H55 | 180.0° | 179.9° |
| C36 | C34 | N7 | C29 | 177.7° | 125.1° |
| C36 | C34 | C35 | N8 | 90.4° | 114.2° |
| H52 | C34 | C35 | O8 | 25.4° | 174.7° |
| H52 | C34 | C36 | O9 | 172.4° | 174.2° |
| H52 | C34 | C36 | H53 | 52.5° | 54.2° |
| H52 | C34 | C36 | H54 | 67.7° | 65.8° |
| H52 | C34 | N7 | C29 | 62.3° | 4.5° |
| H52 | C34 | C35 | N8 | 154.6° | 5.7° |
| O8 | C35 | N8 | C37 | 2.5° | 0.5° |
| O8 | C35 | N8 | H56 | 177.5° | 179.3° |
| O9 | C36 | H53 | H54 | 120.2° | 120.1° |
| H53 | C36 | O9 | H55 | 60.1° | 60.1° |
| H54 | C36 | O9 | H55 | 60.1° | 60.0° |
| C37 | N8 | H56 | C35 | 180.0° | 179.8° |
| N8 | C37 | C38 | C39 | 124.6° | 119.1° |
| N8 | C37 | C38 | H57 | 119.2° | 120.1° |
| N8 | C37 | C39 | H57 | 117.0° | 120.6° |
| N8 | C37 | C38 | O10 | 172.6° | 16.8° |
| N8 | C37 | C39 | C40 | 52.7° | 56.5° |
| N8 | C37 | C39 | H58 | 173.0° | 176.5° |
| N8 | C37 | C39 | H59 | 67.7° | 63.6° |
| N8 | C37 | C38 | N9 | 3.5° | 163.5° |
| H56 | N8 | C37 | C38 | 84.5° | 34.5° |
| H56 | N8 | C37 | C39 | 40.3° | 85.0° |
| H56 | N8 | C37 | H57 | 156.8° | 154.4° |
| C38 | C37 | C39 | H57 | 116.2° | 120.4° |
| C37 | C38 | O10 | N9 | 175.9° | 179.7° |
| C38 | C37 | C39 | C40 | 74.1° | 62.5° |
| C38 | C37 | C39 | H58 | 46.3° | 57.5° |
| C38 | C37 | C39 | H59 | 165.5° | 177.4° |
| C37 | C38 | N9 | C46 | 178.8° | 175.6° |
| C37 | C38 | N9 | H65 | 1.2° | 4.9° |
| C38 | C37 | N8 | C35 | 95.5° | 145.7° |
| C39 | C37 | C38 | O10 | 47.9° | 135.9° |
| C37 | C39 | C40 | H58 | 120.4° | 120.0° |
| C37 | C39 | C40 | H59 | 120.4° | 120.0° |
| C37 | C39 | H58 | H59 | 118.8° | 120.0° |
| C37 | C39 | C40 | C41 | 82.6° | 95.1° |
| C37 | C39 | C40 | C42 | 95.6° | 85.1° |
| C39 | C37 | N8 | C35 | 139.7° | 94.9° |
| C39 | C37 | C38 | N9 | 128.2° | 44.4° |
| H57 | C37 | C38 | O10 | 68.2° | 103.3° |
| H57 | C37 | C39 | C40 | 169.7° | 177.0° |
| H57 | C37 | C39 | H58 | 69.9° | 62.9° |
| H57 | C37 | C39 | H59 | 49.3° | 57.0° |
| H57 | C37 | N8 | C35 | 23.2° | 25.8° |
| H57 | C37 | C38 | N9 | 115.7° | 76.3° |
| O10 | C38 | N9 | C46 | 5.2° | 4.8° |
| O10 | C38 | N9 | H65 | 174.8° | 174.8° |
| C40 | C39 | H58 | H59 | 118.8° | 120.0° |
| C39 | C40 | C41 | C42 | 178.2° | 179.8° |
| C39 | C40 | C41 | C43 | 176.1° | 180.0° |
| C39 | C40 | C41 | H60 | 3.9° | 0.0° |
| C39 | C40 | C42 | C44 | 177.9° | 180.0° |
| C39 | C40 | C42 | H61 | 2.1° | 0.1° |
| H58 | C39 | C40 | C41 | 37.8° | 25.0° |
| H58 | C39 | C40 | C42 | 144.1° | 154.9° |
| H59 | C39 | C40 | C41 | 157.0° | 144.9° |
| H59 | C39 | C40 | C42 | 24.8° | 34.9° |
| C40 | C41 | C43 | H60 | 180.0° | 180.0° |
| C41 | C40 | C42 | C44 | 0.2° | 0.1° |
| C41 | C40 | C42 | H61 | 179.7° | 179.7° |
| C40 | C41 | C43 | C45 | 2.8° | 0.0° |
| C40 | C41 | C43 | H62 | 177.2° | 180.0° |
| C42 | C40 | C41 | C43 | 2.1° | 0.2° |
| C42 | C40 | C41 | H60 | 177.9° | 179.8° |
| C40 | C42 | C44 | H61 | 180.0° | 179.9° |
| C40 | C42 | C44 | C45 | 0.9° | 0.2° |
| C40 | C42 | C44 | H63 | 179.1° | 179.9° |
| C41 | C43 | C45 | H62 | 180.0° | 180.0° |
| C41 | C43 | C45 | C44 | 1.6° | 0.3° |
| C41 | C43 | C45 | O11 | 180.0° | 180.0° |
| H60 | C41 | C43 | C45 | 177.2° | 179.9° |
| H60 | C41 | C43 | H62 | 2.8° | 0.0° |
| C42 | C44 | C45 | C43 | 0.2° | 0.4° |
| C42 | C44 | C45 | H63 | 180.0° | 179.9° |
| C42 | C44 | C45 | O11 | 178.1° | 179.9° |
| H61 | C42 | C44 | C45 | 179.1° | 180.0° |
| H61 | C42 | C44 | H63 | 0.8° | 0.1° |
| C43 | C45 | C44 | O11 | 178.3° | 179.7° |
| C43 | C45 | C44 | H63 | 179.9° | 179.7° |
| C43 | C45 | O11 | H64 | 180.0° | 95.0° |
| H62 | C43 | C45 | C44 | 178.4° | 179.7° |
| H62 | C43 | C45 | O11 | 0.0° | 0.0° |
| C44 | C45 | O11 | H64 | 1.7° | 84.6° |
| H63 | C44 | C45 | O11 | 1.8° | 0.0° |
| C46 | N9 | H65 | C38 | 180.0° | 179.5° |
| N9 | C46 | C47 | C48 | 117.8° | 124.9° |
| N9 | C46 | C47 | H66 | 119.6° | 117.3° |
| N9 | C46 | C48 | H66 | 122.3° | 116.4° |
| N9 | C46 | C47 | O12 | 58.6° | 106.4° |
| N9 | C46 | C48 | C49 | 176.8° | 176.5° |
| N9 | C46 | C48 | H67 | 62.4° | 56.5° |
| N9 | C46 | C48 | H68 | 56.1° | 63.4° |
| N9 | C46 | C47 | N10 | 123.0° | 74.1° |
| H65 | N9 | C46 | C47 | 103.5° | 41.2° |
| H65 | N9 | C46 | C48 | 15.9° | 84.5° |
| H65 | N9 | C46 | H66 | 137.6° | 158.6° |
| C47 | C46 | C48 | H66 | 122.4° | 117.6° |
| C46 | C47 | O12 | N10 | 178.3° | 179.5° |
| C47 | C46 | C48 | C49 | 61.6° | 57.5° |
| C47 | C46 | C48 | H67 | 177.6° | 177.6° |
| C47 | C46 | C48 | H68 | 59.2° | 62.5° |
| C46 | C47 | N10 | C50 | 177.6° | 176.3° |
| C46 | C47 | N10 | C54 | 0.3° | 5.2° |
| C47 | C46 | N9 | C38 | 76.5° | 139.3° |
| C48 | C46 | C47 | O12 | 59.2° | 128.7° |
| C46 | C48 | C49 | H67 | 120.8° | 120.0° |
| C46 | C48 | C49 | H68 | 120.8° | 120.0° |
| C46 | C48 | H67 | H68 | 117.5° | 119.9° |
| C46 | C48 | C49 | O13 | 16.4° | 4.3° |
| C46 | C48 | C49 | O14 | 165.3° | 175.7° |
| C48 | C46 | N9 | C38 | 164.2° | 95.0° |
| C48 | C46 | C47 | N10 | 119.2° | 50.7° |
| H66 | C46 | C47 | O12 | 178.2° | 10.9° |
| H66 | C46 | C48 | C49 | 60.9° | 60.1° |
| H66 | C46 | C48 | H67 | 59.9° | 60.0° |
| H66 | C46 | C48 | H68 | 178.4° | 179.9° |
| H66 | C46 | N9 | C38 | 42.4° | 21.8° |
| H66 | C46 | C47 | N10 | 3.4° | 168.6° |
| O12 | C47 | N10 | C50 | 4.1° | 4.2° |
| O12 | C47 | N10 | C54 | 178.6° | 174.3° |
| C49 | C48 | H67 | H68 | 117.5° | 120.0° |
| C48 | C49 | O13 | O14 | 178.2° | 179.9° |
| C48 | C49 | O14 | H69 | 178.3° | 180.0° |
| H67 | C48 | C49 | O13 | 137.2° | 124.3° |
| H67 | C48 | C49 | O14 | 44.4° | 55.6° |
| H68 | C48 | C49 | O13 | 104.4° | 115.7° |
| H68 | C48 | C49 | O14 | 74.0° | 64.3° |
| O13 | C49 | O14 | H69 | 0.0° | 0.1° |
| C50 | N10 | C54 | C47 | 177.4° | 178.7° |
| N10 | C50 | C51 | C52 | 117.3° | 123.4° |
| N10 | C50 | C51 | H70 | 122.7° | 118.1° |
| N10 | C50 | C52 | H70 | 116.9° | 115.5° |
| N10 | C50 | C51 | O15 | 147.8° | 3.9° |
| N10 | C50 | C52 | C53 | 12.1° | 18.3° |
| N10 | C50 | C52 | H71 | 131.6° | 100.8° |
| N10 | C50 | C52 | H72 | 107.5° | 136.3° |
| C50 | N10 | C54 | C53 | 17.6° | 4.4° |
| C50 | N10 | C54 | H75 | 101.3° | 122.3° |
| C50 | N10 | C54 | H76 | 136.5° | 116.5° |
| N10 | C50 | C51 | N11 | 31.7° | 177.5° |
| C54 | N10 | C50 | C51 | 125.3° | 133.8° |
| C54 | N10 | C50 | C52 | 3.9° | 8.9° |
| C54 | N10 | C50 | H70 | 112.4° | 107.2° |
| N10 | C54 | C53 | C52 | 25.0° | 15.7° |
| N10 | C54 | C53 | H75 | 118.9° | 119.3° |
| N10 | C54 | C53 | H76 | 118.9° | 121.2° |
| N10 | C54 | C53 | H73 | 94.7° | 135.5° |
| N10 | C54 | C53 | H74 | 144.8° | 103.0° |
| N10 | C54 | H75 | H76 | 123.1° | 121.8° |
| C51 | C50 | C52 | H70 | 120.1° | 118.9° |
| C50 | C51 | O15 | N11 | 179.5° | 178.6° |
| C51 | C50 | C52 | C53 | 110.8° | 143.8° |
| C51 | C50 | C52 | H71 | 8.7° | 24.8° |
| C51 | C50 | C52 | H72 | 129.6° | 98.1° |
| C50 | C51 | N11 | C55 | 178.1° | 164.0° |
| C50 | C51 | N11 | H77 | 1.9° | 15.5° |
| C51 | C50 | N10 | C47 | 57.0° | 47.4° |
| C52 | C50 | C51 | O15 | 95.0° | 119.5° |
| C50 | C52 | C53 | H71 | 119.5° | 119.2° |
| C50 | C52 | C53 | H72 | 119.5° | 118.4° |
| C50 | C52 | H71 | H72 | 121.3° | 122.9° |
| C50 | C52 | C53 | C54 | 23.4° | 20.2° |
| C50 | C52 | C53 | H73 | 96.4° | 139.5° |
| C50 | C52 | C53 | H74 | 143.2° | 97.9° |
| C52 | C50 | N10 | C47 | 178.4° | 172.3° |
| C52 | C50 | C51 | N11 | 85.5° | 59.1° |
| H70 | C50 | C51 | O15 | 25.1° | 122.0° |
| H70 | C50 | C52 | C53 | 129.0° | 97.2° |
| H70 | C50 | C52 | H71 | 111.4° | 143.7° |
| H70 | C50 | C52 | H72 | 9.5° | 20.8° |
| H70 | C50 | N10 | C47 | 65.3° | 71.6° |
| H70 | C50 | C51 | N11 | 154.4° | 59.4° |
| O15 | C51 | N11 | C55 | 1.4° | 17.4° |
| O15 | C51 | N11 | H77 | 178.6° | 163.1° |
| C53 | C52 | H71 | H72 | 121.3° | 122.0° |
| C52 | C53 | C54 | H73 | 119.8° | 119.8° |
| C52 | C53 | C54 | H74 | 119.8° | 118.7° |
| C52 | C53 | H73 | H74 | 120.7° | 122.6° |
| C52 | C53 | C54 | H75 | 93.9° | 135.0° |
| C52 | C53 | C54 | H76 | 144.0° | 105.5° |
| H71 | C52 | C53 | C54 | 143.0° | 99.1° |
| H71 | C52 | C53 | H73 | 23.2° | 20.3° |
| H71 | C52 | C53 | H74 | 97.3° | 142.9° |
| H72 | C52 | C53 | C54 | 96.1° | 138.6° |
| H72 | C52 | C53 | H73 | 144.1° | 102.0° |
| H72 | C52 | C53 | H74 | 23.6° | 20.5° |
| C54 | C53 | H73 | H74 | 120.7° | 120.9° |
| C53 | C54 | H75 | H76 | 123.1° | 119.9° |
| C53 | C54 | N10 | C47 | 165.0° | 174.3° |
| H73 | C53 | C54 | H75 | 146.4° | 105.2° |
| H73 | C53 | C54 | H76 | 24.2° | 14.4° |
| H74 | C53 | C54 | H75 | 25.9° | 16.3° |
| H74 | C53 | C54 | H76 | 96.2° | 135.8° |
| H75 | C54 | N10 | C47 | 76.1° | 56.4° |
| H76 | C54 | N10 | C47 | 46.0° | 64.8° |
| C55 | N11 | H77 | C51 | 180.0° | 179.5° |
| N11 | C55 | C56 | C57 | 125.5° | 120.5° |
| N11 | C55 | C56 | H78 | 117.4° | 121.2° |
| N11 | C55 | C57 | H78 | 117.6° | 118.6° |
| N11 | C55 | C56 | O16 | 142.2° | 1.9° |
| N11 | C55 | C57 | C58 | 177.5° | 59.2° |
| N11 | C55 | C57 | C59 | 59.8° | 60.7° |
| N11 | C55 | C57 | H79 | 58.9° | 179.2° |
| N11 | C55 | C56 | N12 | 37.4° | 178.3° |
| H77 | N11 | C55 | C56 | 113.6° | 76.1° |
| H77 | N11 | C55 | C57 | 12.5° | 44.6° |
| H77 | N11 | C55 | H78 | 129.5° | 162.9° |
| C56 | C55 | C57 | H78 | 117.1° | 118.5° |
| C55 | C56 | O16 | N12 | 179.6° | 179.7° |
| C56 | C55 | C57 | C58 | 52.2° | 177.9° |
| C56 | C55 | C57 | C59 | 174.9° | 62.1° |
| C56 | C55 | C57 | H79 | 66.4° | 57.9° |
| C55 | C56 | N12 | C60 | 176.3° | 179.7° |
| C55 | C56 | N12 | H86 | 3.7° | 0.2° |
| C56 | C55 | N11 | C51 | 66.5° | 104.4° |
| C57 | C55 | C56 | O16 | 92.3° | 122.4° |
| C55 | C57 | C58 | C59 | 122.4° | 120.0° |
| C55 | C57 | C58 | H79 | 118.4° | 120.0° |
| C55 | C57 | C59 | H79 | 118.5° | 120.1° |
| C55 | C57 | C58 | H80 | 180.0° | 55.2° |
| C55 | C57 | C58 | H81 | 60.0° | 175.2° |
| C55 | C57 | C58 | H82 | 60.0° | 64.8° |
| C55 | C57 | C59 | H83 | 180.0° | 60.0° |
| C55 | C57 | C59 | H84 | 60.0° | 180.0° |
| C55 | C57 | C59 | H85 | 60.0° | 60.0° |
| C57 | C55 | N11 | C51 | 167.4° | 134.8° |
| C57 | C55 | C56 | N12 | 88.2° | 57.8° |
| H78 | C55 | C56 | O16 | 24.8° | 119.3° |
| H78 | C55 | C57 | C58 | 64.9° | 59.4° |
| H78 | C55 | C57 | C59 | 57.8° | 179.4° |
| H78 | C55 | C57 | H79 | 176.5° | 60.6° |
| H78 | C55 | N11 | C51 | 50.4° | 16.6° |
| H78 | C55 | C56 | N12 | 154.8° | 60.5° |
| O16 | C56 | N12 | C60 | 3.3° | 0.1° |
| O16 | C56 | N12 | H86 | 176.7° | 180.0° |
| C58 | C57 | C59 | H79 | 119.2° | 120.0° |
| C57 | C58 | H80 | H81 | 120.0° | 120.0° |
| C57 | C58 | H80 | H82 | 120.0° | 120.0° |
| C57 | C58 | H81 | H82 | 120.0° | 120.0° |
| C58 | C57 | C59 | H83 | 57.7° | 180.0° |
| C58 | C57 | C59 | H84 | 62.3° | 60.1° |
| C58 | C57 | C59 | H85 | 177.7° | 60.0° |
| C59 | C57 | C58 | H80 | 57.6° | 64.8° |
| C59 | C57 | C58 | H81 | 177.6° | 55.2° |
| C59 | C57 | C58 | H82 | 62.4° | 175.2° |
| C57 | C59 | H83 | H84 | 120.0° | 119.9° |
| C57 | C59 | H83 | H85 | 120.0° | 120.0° |
| C57 | C59 | H84 | H85 | 120.0° | 120.1° |
| H79 | C57 | C58 | H80 | 61.6° | 175.2° |
| H79 | C57 | C58 | H81 | 58.4° | 64.8° |
| H79 | C57 | C58 | H82 | 178.4° | 55.2° |
| H79 | C57 | C59 | H83 | 61.5° | 60.0° |
| H79 | C57 | C59 | H84 | 178.5° | 59.9° |
| H79 | C57 | C59 | H85 | 58.5° | 180.0° |
| H80 | C58 | H81 | H82 | 120.0° | 120.0° |
| H83 | C59 | H84 | H85 | 119.9° | 120.0° |
| C60 | N12 | H86 | C56 | 180.0° | 179.9° |
| N12 | C60 | C61 | C62 | 123.9° | 117.6° |
| N12 | C60 | C61 | H87 | 119.1° | 121.2° |
| N12 | C60 | C62 | H87 | 118.5° | 119.9° |
| N12 | C60 | C61 | O17 | 146.9° | 20.0° |
| N12 | C60 | C62 | S2 | 61.1° | 171.3° |
| N12 | C60 | C62 | H88 | 59.7° | 68.7° |
| N12 | C60 | C62 | H89 | 178.1° | 50.8° |
| N12 | C60 | C61 | N13 | 35.3° | 160.0° |
| H86 | N12 | C60 | C61 | 109.3° | 91.0° |
| H86 | N12 | C60 | C62 | 13.7° | 27.9° |
| H86 | N12 | C60 | H87 | 131.8° | 147.9° |
| C61 | C60 | C62 | H87 | 117.1° | 120.9° |
| C60 | C61 | O17 | N13 | 177.6° | 179.9° |
| C61 | C60 | C62 | S2 | 174.5° | 52.1° |
| C61 | C60 | C62 | H88 | 64.7° | 172.0° |
| C61 | C60 | C62 | H89 | 53.7° | 68.4° |
| C60 | C61 | N13 | C63 | 179.6° | 180.0° |
| C60 | C61 | N13 | H90 | 0.4° | 0.0° |
| C61 | C60 | N12 | C56 | 70.7° | 89.1° |
| C62 | C60 | C61 | O17 | 89.2° | 97.7° |
| C60 | C62 | S2 | H88 | 120.8° | 119.9° |
| C60 | C62 | S2 | H89 | 120.8° | 120.4° |
| C60 | C62 | H88 | H89 | 117.5° | 119.6° |
| C60 | C62 | S2 | C4 | 58.5° | 172.5° |
| C62 | C60 | N12 | C56 | 166.3° | 152.0° |
| C62 | C60 | C61 | N13 | 88.6° | 82.4° |
| H87 | C60 | C61 | O17 | 27.8° | 141.2° |
| H87 | C60 | C62 | S2 | 57.4° | 68.9° |
| H87 | C60 | C62 | H88 | 178.2° | 51.1° |
| H87 | C60 | C62 | H89 | 63.4° | 170.7° |
| H87 | C60 | N12 | C56 | 48.1° | 32.0° |
| H87 | C60 | C61 | N13 | 154.4° | 38.7° |
| O17 | C61 | N13 | C63 | 2.7° | 0.0° |
| O17 | C61 | N13 | H90 | 177.3° | 180.0° |
| S2 | C62 | H88 | H89 | 117.5° | 119.7° |
| H88 | C62 | S2 | C4 | 179.3° | 67.5° |
| H89 | C62 | S2 | C4 | 62.3° | 52.1° |
| C63 | N13 | H90 | C61 | 180.0° | 180.0° |
| N13 | C63 | C64 | C65 | 122.6° | 120.0° |
| N13 | C63 | C64 | H91 | 119.3° | 120.0° |
| N13 | C63 | C65 | H91 | 119.8° | 120.0° |
| N13 | C63 | C64 | O18 | 154.3° | 0.0° |
| N13 | C63 | C65 | C66 | 64.1° | 65.0° |
| N13 | C63 | C65 | H92 | 56.9° | 55.0° |
| N13 | C63 | C65 | H93 | 174.8° | 175.0° |
| N13 | C63 | C64 | N17 | 34.8° | 180.0° |
| H90 | N13 | C63 | C64 | 114.1° | 95.0° |
| H90 | N13 | C63 | C65 | 7.8° | 25.0° |
| H90 | N13 | C63 | H91 | 127.2° | 145.0° |
| C64 | C63 | C65 | H91 | 118.0° | 120.0° |
| C63 | C64 | O18 | N17 | 170.4° | 180.0° |
| C64 | C63 | C65 | C66 | 173.6° | 175.0° |
| C64 | C63 | C65 | H92 | 65.3° | 65.0° |
| C64 | C63 | C65 | H93 | 52.6° | 55.0° |
| C63 | C64 | N17 | C69 | 5.3° | 180.0° |
| C63 | C64 | N17 | H103 | 174.7° | 0.1° |
| C64 | C63 | N13 | C61 | 65.9° | 85.0° |
| C65 | C63 | C64 | O18 | 83.1° | 120.0° |
| C63 | C65 | C66 | H92 | 121.0° | 120.0° |
| C63 | C65 | C66 | H93 | 121.0° | 120.0° |
| C63 | C65 | H92 | H93 | 116.7° | 120.0° |
| C63 | C65 | C66 | C67 | 166.6° | 180.0° |
| C63 | C65 | C66 | H94 | 47.2° | 60.0° |
| C63 | C65 | C66 | H95 | 74.0° | 60.0° |
| C65 | C63 | N13 | C61 | 172.2° | 155.0° |
| C65 | C63 | C64 | N17 | 87.8° | 60.0° |
| H91 | C63 | C64 | O18 | 35.0° | 120.0° |
| H91 | C63 | C65 | C66 | 55.7° | 55.0° |
| H91 | C63 | C65 | H92 | 176.7° | 175.0° |
| H91 | C63 | C65 | H93 | 65.4° | 65.0° |
| H91 | C63 | N13 | C61 | 52.8° | 35.1° |
| H91 | C63 | C64 | N17 | 154.1° | 60.0° |
| O18 | C64 | N17 | C69 | 175.8° | 0.0° |
| O18 | C64 | N17 | H103 | 4.2° | 179.9° |
| C66 | C65 | H92 | H93 | 116.8° | 120.0° |
| C65 | C66 | C67 | H94 | 119.3° | 120.1° |
| C65 | C66 | C67 | H95 | 119.3° | 120.0° |
| C65 | C66 | H94 | H95 | 121.9° | 120.0° |
| C65 | C66 | C67 | N14 | 173.9° | 180.0° |
| C65 | C66 | C67 | H96 | 53.2° | 60.0° |
| C65 | C66 | C67 | H97 | 65.3° | 60.0° |
| H92 | C65 | C66 | C67 | 72.4° | 60.0° |
| H92 | C65 | C66 | H94 | 168.3° | 179.9° |
| H92 | C65 | C66 | H95 | 47.0° | 60.0° |
| H93 | C65 | C66 | C67 | 45.6° | 60.0° |
| H93 | C65 | C66 | H94 | 73.8° | 60.0° |
| H93 | C65 | C66 | H95 | 164.9° | 179.9° |
| C67 | C66 | H94 | H95 | 121.9° | 120.0° |
| C66 | C67 | N14 | H96 | 120.8° | 119.9° |
| C66 | C67 | N14 | H97 | 120.8° | 120.0° |
| C66 | C67 | H96 | H97 | 117.6° | 120.0° |
| C66 | C67 | N14 | C68 | 85.3° | 180.0° |
| C66 | C67 | N14 | H98 | 94.7° | 0.1° |
| H94 | C66 | C67 | N14 | 66.7° | 60.0° |
| H94 | C66 | C67 | H96 | 172.5° | 179.9° |
| H94 | C66 | C67 | H97 | 54.1° | 60.1° |
| H95 | C66 | C67 | N14 | 54.6° | 60.0° |
| H95 | C66 | C67 | H96 | 66.2° | 60.0° |
| H95 | C66 | C67 | H97 | 175.4° | 180.0° |
| N14 | C67 | H96 | H97 | 117.6° | 120.1° |
| C67 | N14 | C68 | H98 | 180.0° | 179.9° |
| C67 | N14 | C68 | N15 | 177.4° | 0.1° |
| C67 | N14 | C68 | N16 | 4.0° | 180.0° |
| H96 | C67 | N14 | C68 | 153.9° | 60.1° |
| H96 | C67 | N14 | H98 | 26.1° | 120.0° |
| H97 | C67 | N14 | C68 | 35.5° | 60.0° |
| H97 | C67 | N14 | H98 | 144.5° | 120.0° |
| N14 | C68 | N15 | N16 | 178.7° | 180.0° |
| N14 | C68 | N15 | H99 | 178.7° | 0.0° |
| N14 | C68 | N15 | H100 | 1.3° | 180.0° |
| N14 | C68 | N16 | H101 | 178.6° | 180.0° |
| N14 | C68 | N16 | H102 | 1.3° | 0.1° |
| H98 | N14 | C68 | N15 | 2.6° | 180.0° |
| H98 | N14 | C68 | N16 | 176.0° | 0.1° |
| C68 | N15 | H99 | H100 | 180.0° | 180.0° |
| N15 | C68 | N16 | H101 | 0.0° | 0.1° |
| N15 | C68 | N16 | H102 | 180.0° | 180.0° |
| N16 | C68 | N15 | H99 | 0.0° | 180.0° |
| N16 | C68 | N15 | H100 | 180.0° | 0.0° |
| C68 | N16 | H101 | H102 | 180.0° | 179.9° |
| C69 | N17 | H103 | C64 | 180.0° | 179.9° |
| N17 | C69 | C70 | C71 | 90.0° | 120.0° |
| N17 | C69 | C70 | H104 | 90.0° | 120.0° |
| N17 | C69 | C71 | H104 | 90.0° | 120.0° |
| N17 | C69 | C70 | O19 | 90.0° | 0.0° |
| N17 | C69 | C70 | O20 | 90.0° | 180.0° |
| N17 | C69 | C71 | H105 | 90.0° | 180.0° |
| N17 | C69 | C71 | H106 | 90.0° | 60.0° |
| N17 | C69 | C71 | H107 | 90.0° | 60.0° |
| H103 | N17 | C69 | C70 | 90.0° | 25.0° |
| H103 | N17 | C69 | C71 | 90.0° | 94.9° |
| H103 | N17 | C69 | H104 | 90.0° | 145.0° |
| C70 | C69 | C71 | H104 | 90.0° | 120.0° |
| C69 | C70 | O19 | O20 | 90.0° | 180.0° |
| C70 | C69 | C71 | H105 | 90.0° | 60.0° |
| C70 | C69 | C71 | H106 | 90.0° | 60.0° |
| C70 | C69 | C71 | H107 | 90.0° | 180.0° |
| C69 | C70 | O20 | H108 | 90.0° | 180.0° |
| C70 | C69 | N17 | C64 | 90.0° | 155.0° |
| C71 | C69 | C70 | O19 | 90.0° | 120.0° |
| C71 | C69 | C70 | O20 | 90.0° | 60.0° |
| C69 | C71 | H105 | H106 | 90.0° | 120.1° |
| C69 | C71 | H105 | H107 | 90.0° | 120.0° |
| C69 | C71 | H106 | H107 | 90.0° | 120.0° |
| C71 | C69 | N17 | C64 | 90.0° | 85.0° |
| H104 | C69 | C70 | O19 | 90.0° | 120.0° |
| H104 | C69 | C70 | O20 | 90.0° | 60.0° |
| H104 | C69 | C71 | H105 | 90.0° | 59.9° |
| H104 | C69 | C71 | H106 | 90.0° | 180.0° |
| H104 | C69 | C71 | H107 | 90.0° | 60.0° |
| H104 | C69 | N17 | C64 | 90.0° | 35.0° |
| O19 | C70 | O20 | H108 | 90.0° | 0.0° |
| H105 | C71 | H106 | H107 | 90.0° | 119.9° |
