PRD_000110
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 | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | N2 | sing | 1.47Å | 1.51Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å | |
| N7 | C7 | sing | 1.36Å | 1.36Å | |
| C7 | N5 | doub | 1.31Å | 1.31Å | |
| C7 | N6 | sing | 1.37Å | 1.34Å | |
| O2 | C10 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | doub | 1.40Å | 1.36Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N5 | sing | 1.34Å | 1.34Å | |
| N8 | C9 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.41Å | |
| C10 | N7 | sing | 1.35Å | 1.39Å | |
| N8 | C11 | doub | 1.30Å | 1.31Å | Aromatic |
| C11 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.46Å | 1.44Å | |
| H15 | N3 | sing | 0.97Å | 1.00Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C15 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| H18 | C13 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N4 | C14 | sing | 1.46Å | 1.44Å | |
| H19 | C14 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| H22 | N6 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| H14 | N7 | sing | 0.97Å | 1.00Å | |
| O3 | C15 | doub | 1.21Å | 1.23Å | |
| N13 | C16 | sing | 1.36Å | 1.38Å | |
| C16 | N12 | sing | 1.37Å | 1.32Å | |
| C16 | N11 | doub | 1.31Å | 1.31Å | |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | N11 | sing | 1.34Å | 1.33Å | |
| C17 | N10 | sing | 1.37Å | 1.34Å | Aromatic |
| C19 | C18 | sing | 1.42Å | 1.38Å | |
| N14 | C18 | sing | 1.36Å | 1.38Å | Aromatic |
| O4 | C19 | doub | 1.22Å | 1.23Å | |
| C19 | N13 | sing | 1.35Å | 1.40Å | |
| C20 | N9 | sing | 1.47Å | 1.45Å | |
| N9 | H25 | sing | 0.97Å | 1.00Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| H26 | C20 | sing | 1.09Å | 1.10Å | |
| C20 | C23 | sing | 1.51Å | 1.52Å | |
| N10 | C21 | sing | 1.47Å | 1.46Å | |
| H27 | C21 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | N10 | sing | 1.37Å | 1.39Å | Aromatic |
| H30 | N12 | sing | 0.97Å | 1.00Å | |
| N12 | H29 | sing | 0.97Å | 1.00Å | |
| H24 | N13 | sing | 0.97Å | 1.00Å | |
| N14 | C22 | doub | 1.30Å | 1.30Å | Aromatic |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| O5 | C23 | doub | 1.21Å | 1.24Å | |
| N15 | H32 | sing | 0.97Å | 1.00Å | |
| N15 | C24 | sing | 1.47Å | 1.42Å | |
| C31 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| H35 | C25 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| H36 | C26 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | N16 | sing | 1.46Å | 1.46Å | |
| N16 | C30 | sing | 1.35Å | 1.40Å | |
| N16 | C27 | sing | 1.36Å | 1.35Å | |
| H38 | C27 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.35Å | 1.32Å | |
| C28 | C29 | sing | 1.41Å | 1.42Å | |
| C28 | H39 | sing | 1.08Å | 1.08Å | |
| N18 | C29 | doub | 1.33Å | 1.33Å | |
| C29 | N17 | sing | 1.38Å | 1.32Å | |
| N17 | H40 | sing | 0.97Å | 1.00Å | |
| N17 | H41 | sing | 0.97Å | 1.00Å | |
| C30 | N18 | sing | 1.33Å | 1.37Å | |
| O6 | C30 | doub | 1.22Å | 1.21Å | |
| O7 | C31 | doub | 1.21Å | 1.21Å | |
| N23 | C32 | sing | 1.36Å | 1.37Å | |
| C32 | N22 | sing | 1.37Å | 1.33Å | |
| C32 | N21 | doub | 1.31Å | 1.32Å | |
| C34 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C33 | N21 | sing | 1.34Å | 1.32Å | |
| C33 | N20 | sing | 1.37Å | 1.35Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.39Å | |
| N24 | C34 | sing | 1.36Å | 1.38Å | Aromatic |
| O8 | C35 | doub | 1.22Å | 1.25Å | |
| C35 | N23 | sing | 1.35Å | 1.41Å | |
| C36 | N19 | sing | 1.47Å | 1.44Å | |
| N19 | H43 | sing | 0.97Å | 1.00Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| H44 | C36 | sing | 1.09Å | 1.10Å | |
| C36 | C39 | sing | 1.51Å | 1.51Å | |
| N20 | C37 | sing | 1.46Å | 1.46Å | |
| H45 | C37 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | N20 | sing | 1.37Å | 1.38Å | Aromatic |
| H48 | N22 | sing | 0.97Å | 1.00Å | |
| N22 | H47 | sing | 0.97Å | 1.00Å | |
| H42 | N23 | sing | 0.97Å | 1.00Å | |
| N24 | C38 | doub | 1.30Å | 1.32Å | Aromatic |
| C38 | H49 | sing | 1.08Å | 1.08Å | |
| O9 | C39 | doub | 1.21Å | 1.25Å | |
| N25 | H50 | sing | 0.97Å | 1.00Å | |
| N25 | C40 | sing | 1.46Å | 1.48Å | |
| C47 | C40 | sing | 1.51Å | 1.52Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| H53 | C41 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.49Å | |
| H54 | C42 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C42 | N26 | sing | 1.46Å | 1.50Å | |
| N26 | C46 | sing | 1.35Å | 1.37Å | |
| N26 | C43 | sing | 1.36Å | 1.35Å | |
| H56 | C43 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | doub | 1.35Å | 1.35Å | |
| C44 | C45 | sing | 1.41Å | 1.41Å | |
| C44 | H57 | sing | 1.08Å | 1.08Å | |
| N28 | C45 | doub | 1.33Å | 1.30Å | |
| C45 | N27 | sing | 1.38Å | 1.34Å | |
| N27 | H58 | sing | 0.97Å | 1.00Å | |
| N27 | H59 | sing | 0.97Å | 1.00Å | |
| C46 | N28 | sing | 1.33Å | 1.38Å | |
| O10 | C46 | doub | 1.22Å | 1.24Å | |
| O11 | C47 | doub | 1.21Å | 1.23Å | |
| N32 | C48 | sing | 1.33Å | 1.38Å | |
| N30 | C48 | sing | 1.35Å | 1.37Å | |
| C48 | O12 | doub | 1.22Å | 1.22Å | |
| N31 | C49 | sing | 1.38Å | 1.33Å | |
| C50 | C49 | sing | 1.41Å | 1.44Å | |
| C49 | N32 | doub | 1.33Å | 1.32Å | |
| H65 | C50 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.35Å | 1.33Å | |
| H64 | C51 | sing | 1.08Å | 1.08Å | |
| C51 | N30 | sing | 1.36Å | 1.35Å | |
| C52 | N29 | sing | 1.46Å | 1.43Å | |
| N29 | H60 | sing | 0.97Å | 1.00Å | |
| H61 | C52 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | C54 | sing | 1.51Å | 1.57Å | |
| N30 | C53 | sing | 1.47Å | 1.49Å | |
| C53 | H62 | sing | 1.09Å | 1.10Å | |
| C53 | H63 | sing | 1.09Å | 1.10Å | |
| H67 | N31 | sing | 0.97Å | 1.00Å | |
| N31 | H66 | sing | 0.97Å | 1.00Å | |
| C54 | O13 | doub | 1.21Å | 1.23Å | |
| N33 | C55 | sing | 1.46Å | 24.47Å | |
| N33 | H68 | sing | 0.97Å | 1.00Å | |
| C55 | C56 | sing | 1.51Å | 0.00Å | |
| C55 | C57 | sing | 1.53Å | 0.00Å | |
| C55 | H69 | sing | 1.09Å | 0.00Å | |
| C56 | O14 | doub | 1.21Å | 0.00Å | |
| C56 | O15 | sing | 1.34Å | 0.00Å | |
| C57 | C58 | sing | 1.53Å | 0.00Å | |
| C57 | H70 | sing | 1.09Å | 0.00Å | |
| C57 | H71 | sing | 1.09Å | 0.00Å | |
| C58 | C59 | sing | 1.53Å | 0.00Å | |
| C58 | H72 | sing | 1.09Å | 0.00Å | |
| C58 | H73 | sing | 1.09Å | 0.00Å | |
| C59 | C60 | sing | 1.53Å | 0.00Å | |
| C59 | H74 | sing | 1.09Å | 0.00Å | |
| C59 | H75 | sing | 1.09Å | 0.00Å | |
| C60 | N34 | sing | 1.47Å | 0.00Å | |
| C60 | H76 | sing | 1.09Å | 0.00Å | |
| C60 | H77 | sing | 1.09Å | 0.00Å | |
| N34 | H78 | sing | 1.01Å | 0.00Å | |
| N34 | H79 | sing | 1.01Å | 0.00Å | |
| N34 | H80 | sing | 1.01Å | 0.00Å | |
| O15 | H81 | sing | 0.97Å | 0.00Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| C15 | N9 | sing | 1.35Å | 1.30Å | |
| C23 | N15 | sing | 1.35Å | 1.33Å | |
| C31 | N19 | sing | 1.35Å | 1.35Å | |
| C39 | N25 | sing | 1.35Å | 1.31Å | |
| C47 | N29 | sing | 1.35Å | 1.34Å | |
| C54 | N33 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.4° | 111.0° |
| N1 | C1 | C2 | 113.7° | 109.5° |
| N1 | C1 | C3 | 114.9° | 109.5° |
| N1 | C1 | H3 | 107.7° | 109.4° |
| H1 | N1 | H2 | 109.5° | 110.9° |
| C2 | C1 | C3 | 106.6° | 109.5° |
| C2 | C1 | H3 | 106.8° | 109.4° |
| C1 | C2 | O1 | 119.1° | 119.9° |
| C1 | C2 | N3 | 118.9° | 120.0° |
| C3 | C1 | H3 | 106.8° | 109.5° |
| C1 | C3 | C4 | 111.4° | 109.5° |
| C1 | C3 | H4 | 108.9° | 109.5° |
| C1 | C3 | H5 | 109.0° | 109.5° |
| O1 | C2 | N3 | 122.0° | 120.0° |
| C4 | C3 | H4 | 109.0° | 109.4° |
| C4 | C3 | H5 | 109.0° | 109.5° |
| C3 | C4 | C5 | 110.0° | 109.5° |
| C3 | C4 | H6 | 109.3° | 109.4° |
| C3 | C4 | H7 | 109.3° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C5 | C4 | H6 | 109.3° | 109.5° |
| C5 | C4 | H7 | 109.3° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C4 | C5 | H8 | 108.5° | 109.5° |
| C4 | C5 | H9 | 108.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| C6 | C5 | H8 | 108.5° | 109.4° |
| C6 | C5 | H9 | 108.5° | 109.5° |
| C5 | C6 | N2 | 110.7° | 109.5° |
| C5 | C6 | H10 | 109.2° | 109.4° |
| C5 | C6 | H11 | 109.2° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| N2 | C6 | H10 | 109.2° | 109.5° |
| N2 | C6 | H11 | 109.2° | 109.5° |
| C6 | N2 | H12 | 109.5° | 111.0° |
| C6 | N2 | H13 | 109.5° | 110.9° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | N2 | H13 | 109.4° | 111.0° |
| N7 | C7 | N5 | 122.9° | 121.9° |
| N7 | C7 | N6 | 117.5° | 119.1° |
| C7 | N7 | C10 | 125.9° | 120.4° |
| C7 | N7 | H14 | 117.0° | 119.8° |
| N5 | C7 | N6 | 119.6° | 119.0° |
| C7 | N5 | C8 | 111.6° | 121.1° |
| C7 | N6 | H22 | 120.0° | 120.0° |
| C7 | N6 | H21 | 120.0° | 120.0° |
| O2 | C10 | C9 | 129.8° | 120.9° |
| O2 | C10 | N7 | 118.3° | 120.8° |
| C9 | C8 | N4 | 105.4° | 106.1° |
| C9 | C8 | N5 | 130.7° | 119.7° |
| C8 | C9 | N8 | 111.4° | 107.3° |
| C8 | C9 | C10 | 117.0° | 118.6° |
| N4 | C8 | N5 | 123.9° | 134.2° |
| C8 | N4 | C11 | 106.4° | 107.5° |
| C8 | N4 | C14 | 127.3° | 126.3° |
| N8 | C9 | C10 | 131.5° | 134.1° |
| C9 | N8 | C11 | 103.6° | 109.3° |
| C9 | C10 | N7 | 111.9° | 118.3° |
| C10 | N7 | H14 | 117.1° | 119.8° |
| N8 | C11 | H23 | 123.7° | 125.1° |
| N8 | C11 | N4 | 112.5° | 109.8° |
| H23 | C11 | N4 | 123.8° | 125.1° |
| C11 | N4 | C14 | 126.2° | 126.3° |
| C12 | N3 | H15 | 119.6° | 120.1° |
| N3 | C12 | C13 | 110.6° | 109.5° |
| N3 | C12 | C15 | 109.2° | 109.4° |
| N3 | C12 | H16 | 109.7° | 109.4° |
| C12 | N3 | C2 | 120.9° | 120.0° |
| H15 | N3 | C2 | 119.5° | 119.9° |
| C13 | C12 | C15 | 110.5° | 109.5° |
| C13 | C12 | H16 | 108.6° | 109.5° |
| C12 | C13 | C14 | 112.1° | 109.4° |
| C12 | C13 | H18 | 108.8° | 109.5° |
| C12 | C13 | H17 | 108.8° | 109.5° |
| C15 | C12 | H16 | 108.3° | 109.5° |
| C12 | C15 | O3 | 119.9° | 120.0° |
| C12 | C15 | N9 | 116.3° | 120.0° |
| C14 | C13 | H18 | 108.8° | 109.4° |
| C14 | C13 | H17 | 108.8° | 109.5° |
| C13 | C14 | N4 | 111.3° | 109.5° |
| C13 | C14 | H19 | 109.0° | 109.5° |
| C13 | C14 | H20 | 109.0° | 109.5° |
| H18 | C13 | H17 | 109.4° | 109.5° |
| N4 | C14 | H19 | 109.0° | 109.5° |
| N4 | C14 | H20 | 109.0° | 109.4° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H22 | N6 | H21 | 120.0° | 120.0° |
| O3 | C15 | N9 | 123.8° | 120.1° |
| N13 | C16 | N12 | 118.5° | 119.1° |
| N13 | C16 | N11 | 123.9° | 121.9° |
| C16 | N13 | C19 | 123.9° | 120.4° |
| C16 | N13 | H24 | 118.0° | 119.8° |
| N12 | C16 | N11 | 117.6° | 119.0° |
| C16 | N12 | H30 | 120.0° | 120.0° |
| C16 | N12 | H29 | 120.0° | 120.0° |
| C16 | N11 | C17 | 112.2° | 121.2° |
| C18 | C17 | N11 | 128.8° | 119.7° |
| C18 | C17 | N10 | 105.1° | 106.1° |
| C17 | C18 | C19 | 118.8° | 118.6° |
| C17 | C18 | N14 | 111.7° | 107.2° |
| N11 | C17 | N10 | 126.0° | 134.3° |
| C17 | N10 | C21 | 124.6° | 126.3° |
| C17 | N10 | C22 | 106.7° | 107.5° |
| C19 | C18 | N14 | 129.5° | 134.2° |
| C18 | C19 | O4 | 128.5° | 120.8° |
| C18 | C19 | N13 | 112.4° | 118.3° |
| C18 | N14 | C22 | 103.1° | 109.4° |
| O4 | C19 | N13 | 119.2° | 120.8° |
| C19 | N13 | H24 | 118.1° | 119.8° |
| C20 | N9 | H25 | 117.6° | 120.0° |
| N9 | C20 | C21 | 112.7° | 109.4° |
| N9 | C20 | H26 | 108.2° | 109.5° |
| N9 | C20 | C23 | 111.5° | 109.5° |
| C20 | N9 | C15 | 124.8° | 120.0° |
| H25 | N9 | C15 | 117.6° | 120.0° |
| C21 | C20 | H26 | 107.1° | 109.5° |
| C21 | C20 | C23 | 109.8° | 109.5° |
| C20 | C21 | N10 | 109.7° | 109.5° |
| C20 | C21 | H27 | 109.4° | 109.4° |
| C20 | C21 | H28 | 109.4° | 109.5° |
| H26 | C20 | C23 | 107.3° | 109.5° |
| C20 | C23 | O5 | 118.4° | 120.0° |
| C20 | C23 | N15 | 120.0° | 120.0° |
| N10 | C21 | H27 | 109.4° | 109.4° |
| N10 | C21 | H28 | 109.4° | 109.5° |
| C21 | N10 | C22 | 128.6° | 126.2° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| N10 | C22 | N14 | 113.4° | 109.8° |
| N10 | C22 | H31 | 123.3° | 125.1° |
| H30 | N12 | H29 | 120.0° | 120.0° |
| N14 | C22 | H31 | 123.3° | 125.1° |
| O5 | C23 | N15 | 121.6° | 120.0° |
| H32 | N15 | C24 | 120.0° | 120.0° |
| H32 | N15 | C23 | 120.1° | 120.0° |
| N15 | C24 | C31 | 111.6° | 109.4° |
| N15 | C24 | H33 | 109.3° | 109.4° |
| N15 | C24 | C25 | 111.4° | 109.5° |
| C24 | N15 | C23 | 119.9° | 120.0° |
| C31 | C24 | H33 | 108.1° | 109.5° |
| C31 | C24 | C25 | 108.4° | 109.5° |
| C24 | C31 | O7 | 120.9° | 120.0° |
| C24 | C31 | N19 | 115.8° | 120.0° |
| H33 | C24 | C25 | 108.0° | 109.5° |
| C24 | C25 | H35 | 108.8° | 109.5° |
| C24 | C25 | H34 | 108.8° | 109.5° |
| C24 | C25 | C26 | 112.2° | 109.5° |
| H35 | C25 | H34 | 109.5° | 109.5° |
| H35 | C25 | C26 | 108.8° | 109.5° |
| H34 | C25 | C26 | 108.7° | 109.5° |
| C25 | C26 | H36 | 108.2° | 109.5° |
| C25 | C26 | H37 | 108.2° | 109.4° |
| C25 | C26 | N16 | 114.4° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.4° |
| H36 | C26 | N16 | 108.2° | 109.5° |
| H37 | C26 | N16 | 108.2° | 109.5° |
| C26 | N16 | C30 | 118.2° | 119.8° |
| C26 | N16 | C27 | 121.7° | 119.8° |
| C30 | N16 | C27 | 120.2° | 120.4° |
| N16 | C30 | N18 | 118.4° | 121.1° |
| N16 | C30 | O6 | 118.4° | 119.5° |
| N16 | C27 | H38 | 118.8° | 120.4° |
| N16 | C27 | C28 | 122.4° | 119.2° |
| H38 | C27 | C28 | 118.8° | 120.4° |
| C27 | C28 | C29 | 117.3° | 119.0° |
| C27 | C28 | H39 | 121.4° | 120.5° |
| C29 | C28 | H39 | 121.3° | 120.5° |
| C28 | C29 | N18 | 121.9° | 119.6° |
| C28 | C29 | N17 | 119.2° | 120.2° |
| N18 | C29 | N17 | 118.8° | 120.2° |
| C29 | N18 | C30 | 119.8° | 120.7° |
| C29 | N17 | H40 | 120.0° | 120.0° |
| C29 | N17 | H41 | 120.0° | 120.0° |
| H40 | N17 | H41 | 120.0° | 120.0° |
| N18 | C30 | O6 | 123.1° | 119.5° |
| O7 | C31 | N19 | 123.3° | 120.0° |
| N23 | C32 | N22 | 115.7° | 119.1° |
| N23 | C32 | N21 | 124.1° | 121.9° |
| C32 | N23 | C35 | 124.0° | 120.3° |
| C32 | N23 | H42 | 118.0° | 119.8° |
| N22 | C32 | N21 | 120.2° | 119.1° |
| C32 | N22 | H48 | 120.0° | 120.0° |
| C32 | N22 | H47 | 120.0° | 120.0° |
| C32 | N21 | C33 | 113.1° | 121.2° |
| C34 | C33 | N21 | 127.9° | 119.7° |
| C34 | C33 | N20 | 104.5° | 106.1° |
| C33 | C34 | C35 | 118.6° | 118.6° |
| C33 | C34 | N24 | 110.6° | 107.3° |
| N21 | C33 | N20 | 127.6° | 134.2° |
| C33 | N20 | C37 | 127.5° | 126.3° |
| C33 | N20 | C38 | 107.9° | 107.5° |
| C35 | C34 | N24 | 130.8° | 134.2° |
| C34 | C35 | O8 | 130.1° | 120.8° |
| C34 | C35 | N23 | 112.2° | 118.4° |
| C34 | N24 | C38 | 104.7° | 109.3° |
| O8 | C35 | N23 | 117.7° | 120.8° |
| C35 | N23 | H42 | 118.0° | 119.9° |
| C36 | N19 | H43 | 119.4° | 120.1° |
| N19 | C36 | C37 | 110.0° | 109.5° |
| N19 | C36 | H44 | 108.8° | 109.5° |
| N19 | C36 | C39 | 113.4° | 109.5° |
| C36 | N19 | C31 | 121.1° | 120.0° |
| H43 | N19 | C31 | 119.4° | 120.0° |
| C37 | C36 | H44 | 107.3° | 109.5° |
| C37 | C36 | C39 | 109.3° | 109.5° |
| C36 | C37 | N20 | 110.1° | 109.5° |
| C36 | C37 | H45 | 109.3° | 109.4° |
| C36 | C37 | H46 | 109.3° | 109.5° |
| H44 | C36 | C39 | 107.8° | 109.5° |
| C36 | C39 | O9 | 119.6° | 120.0° |
| C36 | C39 | N25 | 117.5° | 120.0° |
| N20 | C37 | H45 | 109.3° | 109.5° |
| N20 | C37 | H46 | 109.3° | 109.5° |
| C37 | N20 | C38 | 124.5° | 126.3° |
| H45 | C37 | H46 | 109.5° | 109.5° |
| N20 | C38 | N24 | 112.3° | 109.8° |
| N20 | C38 | H49 | 123.8° | 125.1° |
| H48 | N22 | H47 | 120.0° | 120.0° |
| N24 | C38 | H49 | 123.9° | 125.1° |
| O9 | C39 | N25 | 122.9° | 119.9° |
| H50 | N25 | C40 | 120.5° | 120.0° |
| H50 | N25 | C39 | 120.4° | 120.0° |
| N25 | C40 | C47 | 108.8° | 109.5° |
| N25 | C40 | H51 | 109.9° | 109.5° |
| N25 | C40 | C41 | 107.7° | 109.5° |
| C40 | N25 | C39 | 119.1° | 120.0° |
| C47 | C40 | H51 | 109.4° | 109.5° |
| C47 | C40 | C41 | 111.7° | 109.4° |
| C40 | C47 | O11 | 121.4° | 120.0° |
| C40 | C47 | N29 | 113.7° | 120.1° |
| H51 | C40 | C41 | 109.3° | 109.5° |
| C40 | C41 | H53 | 109.1° | 109.5° |
| C40 | C41 | H52 | 109.1° | 109.5° |
| C40 | C41 | C42 | 110.9° | 109.5° |
| H53 | C41 | H52 | 109.5° | 109.5° |
| H53 | C41 | C42 | 109.1° | 109.4° |
| H52 | C41 | C42 | 109.1° | 109.4° |
| C41 | C42 | H54 | 108.4° | 109.5° |
| C41 | C42 | H55 | 108.4° | 109.5° |
| C41 | C42 | N26 | 113.7° | 109.5° |
| H54 | C42 | H55 | 109.5° | 109.4° |
| H54 | C42 | N26 | 108.4° | 109.5° |
| H55 | C42 | N26 | 108.4° | 109.5° |
| C42 | N26 | C46 | 116.8° | 119.8° |
| C42 | N26 | C43 | 120.3° | 119.8° |
| C46 | N26 | C43 | 122.8° | 120.3° |
| N26 | C46 | N28 | 117.1° | 121.1° |
| N26 | C46 | O10 | 120.9° | 119.5° |
| N26 | C43 | H56 | 120.2° | 120.4° |
| N26 | C43 | C44 | 119.6° | 119.3° |
| H56 | C43 | C44 | 120.2° | 120.3° |
| C43 | C44 | C45 | 117.3° | 119.0° |
| C43 | C44 | H57 | 121.3° | 120.5° |
| C45 | C44 | H57 | 121.3° | 120.5° |
| C44 | C45 | N28 | 122.3° | 119.6° |
| C44 | C45 | N27 | 118.3° | 120.2° |
| N28 | C45 | N27 | 119.4° | 120.2° |
| C45 | N28 | C46 | 120.5° | 120.7° |
| C45 | N27 | H58 | 120.0° | 120.0° |
| C45 | N27 | H59 | 120.0° | 120.0° |
| H58 | N27 | H59 | 120.0° | 120.0° |
| N28 | C46 | O10 | 122.0° | 119.4° |
| O11 | C47 | N29 | 124.8° | 120.0° |
| N32 | C48 | N30 | 119.0° | 121.1° |
| N32 | C48 | O12 | 121.9° | 119.4° |
| C48 | N32 | C49 | 119.1° | 120.7° |
| N30 | C48 | O12 | 119.1° | 119.5° |
| C48 | N30 | C51 | 121.2° | 120.4° |
| C48 | N30 | C53 | 119.5° | 119.9° |
| N31 | C49 | C50 | 118.1° | 120.2° |
| N31 | C49 | N32 | 118.8° | 120.2° |
| C49 | N31 | H67 | 120.0° | 120.0° |
| C49 | N31 | H66 | 120.0° | 120.0° |
| C50 | C49 | N32 | 123.0° | 119.7° |
| C49 | C50 | H65 | 122.3° | 120.6° |
| C49 | C50 | C51 | 115.5° | 118.9° |
| H65 | C50 | C51 | 122.3° | 120.5° |
| C50 | C51 | H64 | 118.9° | 120.4° |
| C50 | C51 | N30 | 122.1° | 119.3° |
| H64 | C51 | N30 | 118.9° | 120.4° |
| C51 | N30 | C53 | 119.3° | 119.8° |
| C52 | N29 | H60 | 116.9° | 120.1° |
| N29 | C52 | H61 | 109.1° | 109.5° |
| N29 | C52 | C53 | 112.5° | 109.5° |
| N29 | C52 | C54 | 112.3° | 109.5° |
| C52 | N29 | C47 | 126.2° | 120.0° |
| H60 | N29 | C47 | 116.9° | 119.9° |
| H61 | C52 | C53 | 107.8° | 109.5° |
| H61 | C52 | C54 | 107.3° | 109.4° |
| C53 | C52 | C54 | 107.6° | 109.5° |
| C52 | C53 | N30 | 116.7° | 109.4° |
| C52 | C53 | H62 | 107.7° | 109.5° |
| C52 | C53 | H63 | 107.6° | 109.4° |
| C52 | C54 | O13 | 118.9° | 120.0° |
| C52 | C54 | N33 | 116.5° | 120.0° |
| N30 | C53 | H62 | 107.6° | 109.5° |
| N30 | C53 | H63 | 107.6° | 109.4° |
| H62 | C53 | H63 | 109.5° | 109.5° |
| H67 | N31 | H66 | 120.0° | 120.0° |
| O13 | C54 | N33 | 124.6° | 120.0° |
| C55 | N33 | H68 | 126.4° | 120.0° |
| N33 | C55 | C56 | 90.0° | 109.5° |
| N33 | C55 | C57 | 90.0° | 109.5° |
| N33 | C55 | H69 | 90.0° | 109.4° |
| C55 | N33 | C54 | 107.2° | 120.0° |
| H68 | N33 | C54 | 126.4° | 120.0° |
| C56 | C55 | C57 | 90.0° | 109.5° |
| C56 | C55 | H69 | 90.0° | 109.5° |
| C55 | C56 | O14 | 90.0° | 120.0° |
| C55 | C56 | O15 | 90.0° | 120.0° |
| C57 | C55 | H69 | 90.0° | 109.5° |
| C55 | C57 | C58 | 90.0° | 109.5° |
| C55 | C57 | H70 | 90.0° | 109.5° |
| C55 | C57 | H71 | 90.0° | 109.5° |
| O14 | C56 | O15 | 90.0° | 120.0° |
| C56 | O15 | H81 | 90.0° | 117.0° |
| C58 | C57 | H70 | 90.0° | 109.5° |
| C58 | C57 | H71 | 90.0° | 109.4° |
| C57 | C58 | C59 | 90.0° | 109.5° |
| C57 | C58 | H72 | 90.0° | 109.5° |
| C57 | C58 | H73 | 90.0° | 109.5° |
| H70 | C57 | H71 | 90.0° | 109.5° |
| C59 | C58 | H72 | 90.0° | 109.5° |
| C59 | C58 | H73 | 90.0° | 109.4° |
| C58 | C59 | C60 | 90.0° | 109.5° |
| C58 | C59 | H74 | 90.0° | 109.4° |
| C58 | C59 | H75 | 90.0° | 109.4° |
| H72 | C58 | H73 | 90.0° | 109.4° |
| C60 | C59 | H74 | 90.0° | 109.5° |
| C60 | C59 | H75 | 90.0° | 109.5° |
| C59 | C60 | N34 | 90.0° | 109.5° |
| C59 | C60 | H76 | 90.0° | 109.4° |
| C59 | C60 | H77 | 90.0° | 109.5° |
| H74 | C59 | H75 | 90.0° | 109.5° |
| N34 | C60 | H76 | 90.0° | 109.5° |
| N34 | C60 | H77 | 90.0° | 109.5° |
| C60 | N34 | H78 | 90.0° | 109.4° |
| C60 | N34 | H79 | 90.0° | 109.5° |
| C60 | N34 | H80 | 90.0° | 109.5° |
| H76 | C60 | H77 | 90.0° | 109.4° |
| H78 | N34 | H79 | 90.0° | 109.4° |
| H78 | N34 | H80 | 90.0° | 109.5° |
| H79 | N34 | H80 | 90.0° | 109.5° |
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 | 127.6° | 120.1° |
| N1 | C1 | C2 | H3 | 118.6° | 119.9° |
| N1 | C1 | C3 | H3 | 119.3° | 120.0° |
| N1 | C1 | C2 | O1 | 171.4° | 20.1° |
| N1 | C1 | C3 | C4 | 73.0° | 65.0° |
| N1 | C1 | C3 | H4 | 47.3° | 175.0° |
| N1 | C1 | C3 | H5 | 166.8° | 55.1° |
| N1 | C1 | C2 | N3 | 6.7° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 56.9° | 60.1° |
| H1 | N1 | C1 | H3 | 61.9° | 179.9° |
| H2 | N1 | C1 | C2 | 60.0° | 63.9° |
| H2 | N1 | C1 | C3 | 63.2° | 176.1° |
| H2 | N1 | C1 | H3 | 178.0° | 56.1° |
| C2 | C1 | C3 | H3 | 113.8° | 120.0° |
| C1 | C2 | O1 | N3 | 178.0° | 179.9° |
| C2 | C1 | C3 | C4 | 53.9° | 175.0° |
| C2 | C1 | C3 | H4 | 174.2° | 55.0° |
| C2 | C1 | C3 | H5 | 66.4° | 65.0° |
| C1 | C2 | N3 | C12 | 178.0° | 179.9° |
| C1 | C2 | N3 | H15 | 2.0° | 0.0° |
| C3 | C1 | C2 | O1 | 61.0° | 100.0° |
| C1 | C3 | C4 | H4 | 120.3° | 120.0° |
| C1 | C3 | C4 | H5 | 120.3° | 120.0° |
| C1 | C3 | H4 | H5 | 119.1° | 120.0° |
| C1 | C3 | C4 | C5 | 166.0° | 180.0° |
| C1 | C3 | C4 | H6 | 46.0° | 60.0° |
| C1 | C3 | C4 | H7 | 73.9° | 60.0° |
| C3 | C1 | C2 | N3 | 120.9° | 80.0° |
| H3 | C1 | C2 | O1 | 52.8° | 140.0° |
| H3 | C1 | C3 | C4 | 167.7° | 55.0° |
| H3 | C1 | C3 | H4 | 72.0° | 65.0° |
| H3 | C1 | C3 | H5 | 47.5° | 175.0° |
| H3 | C1 | C2 | N3 | 125.3° | 40.1° |
| O1 | C2 | N3 | C12 | 3.9° | 0.0° |
| O1 | C2 | N3 | H15 | 176.1° | 180.0° |
| C4 | C3 | H4 | H5 | 119.1° | 120.0° |
| C3 | C4 | C5 | H6 | 120.1° | 120.0° |
| C3 | C4 | C5 | H7 | 120.1° | 120.0° |
| C3 | C4 | H6 | H7 | 119.7° | 120.0° |
| C3 | C4 | C5 | C6 | 175.4° | 180.0° |
| C3 | C4 | C5 | H8 | 54.9° | 60.0° |
| C3 | C4 | C5 | H9 | 64.0° | 60.0° |
| H4 | C3 | C4 | C5 | 73.7° | 60.0° |
| H4 | C3 | C4 | H6 | 166.2° | 180.0° |
| H4 | C3 | C4 | H7 | 46.4° | 60.0° |
| H5 | C3 | C4 | C5 | 45.7° | 59.9° |
| H5 | C3 | C4 | H6 | 74.3° | 60.0° |
| H5 | C3 | C4 | H7 | 165.8° | 180.0° |
| C5 | C4 | H6 | H7 | 119.7° | 120.0° |
| C4 | C5 | C6 | H8 | 120.6° | 120.0° |
| C4 | C5 | C6 | H9 | 120.6° | 120.0° |
| C4 | C5 | H8 | H9 | 118.3° | 120.0° |
| C4 | C5 | C6 | N2 | 68.9° | 180.0° |
| C4 | C5 | C6 | H10 | 51.3° | 60.0° |
| C4 | C5 | C6 | H11 | 170.9° | 60.0° |
| H6 | C4 | C5 | C6 | 64.5° | 60.1° |
| H6 | C4 | C5 | H8 | 174.9° | 180.0° |
| H6 | C4 | C5 | H9 | 56.0° | 60.0° |
| H7 | C4 | C5 | C6 | 55.3° | 60.0° |
| H7 | C4 | C5 | H8 | 65.2° | 60.0° |
| H7 | C4 | C5 | H9 | 175.9° | 180.0° |
| C6 | C5 | H8 | H9 | 118.3° | 120.0° |
| C5 | C6 | N2 | H10 | 120.2° | 119.9° |
| C5 | C6 | N2 | H11 | 120.2° | 120.0° |
| C5 | C6 | H10 | H11 | 119.5° | 120.0° |
| C5 | C6 | N2 | H12 | 180.0° | 180.0° |
| C5 | C6 | N2 | H13 | 60.0° | 56.1° |
| H8 | C5 | C6 | N2 | 170.5° | 60.0° |
| H8 | C5 | C6 | H10 | 69.3° | 180.0° |
| H8 | C5 | C6 | H11 | 50.3° | 60.0° |
| H9 | C5 | C6 | N2 | 51.6° | 60.0° |
| H9 | C5 | C6 | H10 | 171.8° | 60.0° |
| H9 | C5 | C6 | H11 | 68.5° | 180.0° |
| N2 | C6 | H10 | H11 | 119.4° | 120.0° |
| C6 | N2 | H12 | H13 | 120.0° | 123.9° |
| H10 | C6 | N2 | H12 | 59.8° | 60.0° |
| H10 | C6 | N2 | H13 | 179.9° | 176.0° |
| H11 | C6 | N2 | H12 | 59.8° | 60.0° |
| H11 | C6 | N2 | H13 | 60.2° | 63.9° |
| N7 | C7 | N5 | N6 | 180.0° | 179.8° |
| C7 | N7 | C10 | O2 | 178.8° | 179.8° |
| N7 | C7 | N5 | C8 | 0.5° | 0.2° |
| C7 | N7 | C10 | C9 | 1.4° | 0.5° |
| C7 | N7 | C10 | H14 | 180.0° | 179.9° |
| N7 | C7 | N6 | H22 | 179.9° | 0.2° |
| N7 | C7 | N6 | H21 | 0.0° | 179.7° |
| C7 | N5 | C8 | C9 | 1.4° | 0.1° |
| C7 | N5 | C8 | N4 | 179.9° | 179.9° |
| N5 | C7 | N7 | C10 | 0.7° | 0.0° |
| N5 | C7 | N6 | H22 | 0.0° | 180.0° |
| N5 | C7 | N6 | H21 | 180.0° | 0.1° |
| N5 | C7 | N7 | H14 | 179.3° | 179.9° |
| N6 | C7 | N5 | C8 | 179.5° | 180.0° |
| N6 | C7 | N7 | C10 | 179.3° | 179.8° |
| C7 | N6 | H22 | H21 | 179.9° | 179.9° |
| N6 | C7 | N7 | H14 | 0.6° | 0.3° |
| O2 | C10 | C9 | C8 | 178.2° | 180.0° |
| O2 | C10 | C9 | N8 | 3.7° | 0.7° |
| O2 | C10 | C9 | N7 | 179.8° | 179.3° |
| O2 | C10 | N7 | H14 | 1.2° | 0.2° |
| C9 | C8 | N4 | N5 | 178.8° | 180.0° |
| C8 | C9 | N8 | C10 | 178.1° | 179.4° |
| C8 | C9 | C10 | N7 | 1.9° | 0.7° |
| C8 | C9 | N8 | C11 | 6.8° | 0.0° |
| C9 | C8 | N4 | C11 | 2.6° | 0.0° |
| C9 | C8 | N4 | C14 | 179.2° | 180.0° |
| N4 | C8 | C9 | N8 | 2.5° | 0.0° |
| N4 | C8 | C9 | C10 | 179.0° | 179.5° |
| C8 | N4 | C11 | N8 | 7.3° | 0.0° |
| C8 | N4 | C11 | H23 | 172.7° | 180.0° |
| C8 | N4 | C11 | C14 | 176.6° | 180.0° |
| C8 | N4 | C14 | C13 | 87.6° | 85.0° |
| C8 | N4 | C14 | H19 | 152.2° | 35.0° |
| C8 | N4 | C14 | H20 | 32.7° | 155.0° |
| N5 | C8 | C9 | N8 | 176.1° | 180.0° |
| N5 | C8 | C9 | C10 | 2.3° | 0.5° |
| N5 | C8 | N4 | C11 | 178.6° | 180.0° |
| N5 | C8 | N4 | C14 | 2.0° | 0.0° |
| N8 | C9 | C10 | N7 | 176.1° | 180.0° |
| C9 | N8 | C11 | H23 | 171.5° | 180.0° |
| C9 | N8 | C11 | N4 | 8.5° | 0.0° |
| C10 | C9 | N8 | C11 | 175.1° | 179.4° |
| C9 | C10 | N7 | H14 | 178.6° | 179.5° |
| N8 | C11 | H23 | N4 | 180.0° | 180.0° |
| N8 | C11 | N4 | C14 | 176.1° | 180.0° |
| H23 | C11 | N4 | C14 | 4.0° | 0.0° |
| C11 | N4 | C14 | C13 | 88.4° | 95.0° |
| C11 | N4 | C14 | H19 | 31.9° | 145.0° |
| C11 | N4 | C14 | H20 | 151.4° | 25.0° |
| C12 | N3 | H15 | C2 | 180.0° | 180.0° |
| N3 | C12 | C13 | C15 | 121.0° | 120.0° |
| N3 | C12 | C13 | H16 | 120.4° | 120.0° |
| N3 | C12 | C15 | H16 | 119.4° | 119.9° |
| N3 | C12 | C13 | C14 | 173.7° | 65.0° |
| N3 | C12 | C13 | H18 | 65.9° | 175.0° |
| N3 | C12 | C13 | H17 | 53.2° | 55.0° |
| N3 | C12 | C15 | O3 | 51.9° | 0.1° |
| N3 | C12 | C15 | N9 | 128.5° | 180.0° |
| H15 | N3 | C12 | C13 | 1.2° | 95.0° |
| H15 | N3 | C12 | C15 | 123.0° | 25.1° |
| H15 | N3 | C12 | H16 | 118.5° | 145.0° |
| C13 | C12 | C15 | H16 | 118.8° | 120.0° |
| C12 | C13 | C14 | H18 | 120.4° | 120.0° |
| C12 | C13 | C14 | H17 | 120.4° | 120.0° |
| C12 | C13 | H18 | H17 | 118.8° | 120.0° |
| C12 | C13 | C14 | N4 | 169.9° | 180.0° |
| C12 | C13 | C14 | H19 | 69.9° | 60.0° |
| C12 | C13 | C14 | H20 | 49.6° | 60.0° |
| C13 | C12 | C15 | O3 | 70.0° | 120.0° |
| C13 | C12 | N3 | C2 | 178.8° | 85.0° |
| C13 | C12 | C15 | N9 | 109.7° | 60.0° |
| C15 | C12 | C13 | C14 | 52.6° | 175.0° |
| C15 | C12 | C13 | H18 | 173.0° | 55.0° |
| C15 | C12 | C13 | H17 | 67.8° | 65.0° |
| C12 | C15 | O3 | N9 | 179.6° | 180.0° |
| C12 | C15 | N9 | C20 | 179.2° | 180.0° |
| C12 | C15 | N9 | H25 | 0.8° | 0.0° |
| C15 | C12 | N3 | C2 | 57.0° | 155.0° |
| H16 | C12 | C13 | C14 | 66.0° | 55.0° |
| H16 | C12 | C13 | H18 | 54.4° | 65.0° |
| H16 | C12 | C13 | H17 | 173.6° | 175.0° |
| H16 | C12 | C15 | O3 | 171.3° | 120.0° |
| H16 | C12 | N3 | C2 | 61.5° | 35.0° |
| H16 | C12 | C15 | N9 | 9.1° | 60.0° |
| C14 | C13 | H18 | H17 | 118.8° | 120.0° |
| C13 | C14 | N4 | H19 | 120.2° | 120.1° |
| C13 | C14 | N4 | H20 | 120.3° | 120.0° |
| C13 | C14 | H19 | H20 | 119.2° | 120.0° |
| H18 | C13 | C14 | N4 | 49.5° | 60.0° |
| H18 | C13 | C14 | H19 | 169.7° | 60.0° |
| H18 | C13 | C14 | H20 | 70.8° | 180.0° |
| H17 | C13 | C14 | N4 | 69.7° | 60.0° |
| H17 | C13 | C14 | H19 | 50.5° | 180.0° |
| H17 | C13 | C14 | H20 | 170.0° | 60.0° |
| N4 | C14 | H19 | H20 | 119.2° | 119.9° |
| O3 | C15 | N9 | C20 | 0.5° | 0.0° |
| O3 | C15 | N9 | H25 | 179.5° | 180.0° |
| N13 | C16 | N12 | N11 | 179.6° | 179.8° |
| N13 | C16 | N11 | C17 | 2.5° | 0.2° |
| C16 | N13 | C19 | C18 | 0.2° | 0.1° |
| C16 | N13 | C19 | O4 | 178.2° | 179.8° |
| C16 | N13 | C19 | H24 | 180.0° | 180.0° |
| N13 | C16 | N12 | H30 | 179.6° | 0.3° |
| N13 | C16 | N12 | H29 | 0.4° | 179.7° |
| N12 | C16 | N11 | C17 | 177.9° | 180.0° |
| N12 | C16 | N13 | C19 | 178.7° | 180.0° |
| C16 | N12 | H30 | H29 | 180.0° | 180.0° |
| N12 | C16 | N13 | H24 | 1.3° | 0.0° |
| C16 | N11 | C17 | C18 | 1.6° | 0.0° |
| C16 | N11 | C17 | N10 | 177.6° | 180.0° |
| N11 | C16 | N13 | C19 | 1.8° | 0.2° |
| N11 | C16 | N12 | H30 | 0.0° | 180.0° |
| N11 | C16 | N12 | H29 | 180.0° | 0.0° |
| N11 | C16 | N13 | H24 | 178.2° | 179.8° |
| C18 | C17 | N11 | N10 | 179.2° | 180.0° |
| C17 | C18 | C19 | N14 | 178.2° | 179.7° |
| C17 | C18 | C19 | O4 | 178.9° | 180.0° |
| C17 | C18 | C19 | N13 | 1.1° | 0.3° |
| C18 | C17 | N10 | C21 | 177.6° | 180.0° |
| C18 | C17 | N10 | C22 | 1.1° | 0.0° |
| C17 | C18 | N14 | C22 | 1.9° | 0.0° |
| N11 | C17 | C18 | C19 | 0.3° | 0.3° |
| N11 | C17 | C18 | N14 | 178.8° | 180.0° |
| N11 | C17 | N10 | C21 | 1.7° | 0.1° |
| N11 | C17 | N10 | C22 | 179.5° | 180.0° |
| N10 | C17 | C18 | C19 | 179.6° | 179.7° |
| N10 | C17 | C18 | N14 | 1.9° | 0.0° |
| C17 | N10 | C21 | C20 | 107.5° | 84.9° |
| C17 | N10 | C21 | C22 | 178.4° | 179.9° |
| C17 | N10 | C21 | H27 | 132.4° | 35.0° |
| C17 | N10 | C21 | H28 | 12.5° | 155.0° |
| C17 | N10 | C22 | N14 | 0.0° | 0.0° |
| C17 | N10 | C22 | H31 | 179.9° | 180.0° |
| C18 | C19 | O4 | N13 | 177.6° | 179.7° |
| C18 | C19 | N13 | H24 | 179.7° | 180.0° |
| C19 | C18 | N14 | C22 | 179.8° | 179.7° |
| N14 | C18 | C19 | O4 | 2.9° | 0.4° |
| N14 | C18 | C19 | N13 | 179.3° | 179.9° |
| C18 | N14 | C22 | N10 | 1.2° | 0.0° |
| C18 | N14 | C22 | H31 | 178.8° | 180.0° |
| O4 | C19 | N13 | H24 | 1.8° | 0.3° |
| C20 | N9 | H25 | C15 | 180.0° | 180.0° |
| N9 | C20 | C21 | H26 | 118.9° | 120.0° |
| N9 | C20 | C21 | C23 | 124.9° | 120.0° |
| N9 | C20 | H26 | C23 | 120.4° | 120.0° |
| N9 | C20 | C21 | N10 | 61.0° | 65.0° |
| N9 | C20 | C21 | H27 | 178.9° | 175.0° |
| N9 | C20 | C21 | H28 | 59.0° | 55.0° |
| N9 | C20 | C23 | O5 | 165.1° | 0.0° |
| N9 | C20 | C23 | N15 | 16.3° | 180.0° |
| H25 | N9 | C20 | C21 | 50.1° | 95.0° |
| H25 | N9 | C20 | H26 | 168.4° | 145.0° |
| H25 | N9 | C20 | C23 | 73.8° | 25.0° |
| C21 | C20 | H26 | C23 | 117.8° | 120.0° |
| C20 | C21 | N10 | H27 | 120.0° | 119.9° |
| C20 | C21 | N10 | H28 | 120.0° | 120.0° |
| C20 | C21 | H27 | H28 | 119.9° | 120.0° |
| C20 | C21 | N10 | C22 | 70.9° | 95.0° |
| C21 | C20 | C23 | O5 | 39.5° | 120.0° |
| C21 | C20 | N9 | C15 | 129.9° | 85.0° |
| C21 | C20 | C23 | N15 | 141.9° | 60.1° |
| H26 | C20 | C21 | N10 | 57.9° | 54.9° |
| H26 | C20 | C21 | H27 | 62.1° | 65.0° |
| H26 | C20 | C21 | H28 | 177.9° | 175.0° |
| H26 | C20 | C23 | O5 | 76.5° | 120.0° |
| H26 | C20 | N9 | C15 | 11.6° | 35.0° |
| H26 | C20 | C23 | N15 | 102.1° | 60.0° |
| C23 | C20 | C21 | N10 | 174.1° | 175.0° |
| C23 | C20 | C21 | H27 | 54.0° | 55.0° |
| C23 | C20 | C21 | H28 | 65.9° | 65.0° |
| C20 | C23 | O5 | N15 | 178.6° | 179.9° |
| C20 | C23 | N15 | H32 | 3.6° | 0.0° |
| C20 | C23 | N15 | C24 | 176.3° | 180.0° |
| C23 | C20 | N9 | C15 | 106.2° | 155.0° |
| N10 | C21 | H27 | H28 | 119.9° | 120.0° |
| C21 | N10 | C22 | N14 | 178.7° | 180.0° |
| C21 | N10 | C22 | H31 | 1.3° | 0.1° |
| H27 | C21 | N10 | C22 | 49.1° | 145.1° |
| H28 | C21 | N10 | C22 | 169.0° | 25.1° |
| N10 | C22 | N14 | H31 | 180.0° | 179.9° |
| O5 | C23 | N15 | H32 | 177.8° | 180.0° |
| O5 | C23 | N15 | C24 | 2.2° | 0.1° |
| H32 | N15 | C24 | C23 | 180.0° | 180.0° |
| H32 | N15 | C24 | C31 | 125.9° | 25.0° |
| H32 | N15 | C24 | H33 | 114.7° | 145.0° |
| H32 | N15 | C24 | C25 | 4.6° | 95.0° |
| N15 | C24 | C31 | H33 | 120.2° | 120.0° |
| N15 | C24 | C31 | C25 | 123.0° | 120.0° |
| N15 | C24 | H33 | C25 | 121.4° | 120.0° |
| N15 | C24 | C25 | H35 | 65.6° | 175.0° |
| N15 | C24 | C25 | H34 | 53.6° | 55.0° |
| N15 | C24 | C25 | C26 | 173.9° | 65.0° |
| N15 | C24 | C31 | O7 | 50.7° | 0.1° |
| N15 | C24 | C31 | N19 | 128.1° | 180.0° |
| C31 | C24 | H33 | C25 | 117.0° | 120.0° |
| C31 | C24 | C25 | H35 | 171.3° | 55.0° |
| C31 | C24 | C25 | H34 | 69.5° | 65.0° |
| C31 | C24 | C25 | C26 | 50.8° | 175.0° |
| C24 | C31 | O7 | N19 | 178.7° | 179.9° |
| C24 | C31 | N19 | C36 | 174.5° | 180.0° |
| C24 | C31 | N19 | H43 | 5.5° | 0.0° |
| C31 | C24 | N15 | C23 | 54.2° | 155.0° |
| H33 | C24 | C25 | H35 | 54.4° | 65.1° |
| H33 | C24 | C25 | H34 | 173.6° | 175.0° |
| H33 | C24 | C25 | C26 | 66.0° | 55.0° |
| H33 | C24 | C31 | O7 | 170.9° | 120.0° |
| H33 | C24 | N15 | C23 | 65.3° | 35.0° |
| H33 | C24 | C31 | N19 | 7.9° | 60.1° |
| C24 | C25 | H35 | H34 | 118.8° | 120.0° |
| C24 | C25 | H35 | C26 | 122.5° | 120.0° |
| C24 | C25 | H34 | C26 | 122.5° | 120.0° |
| C24 | C25 | C26 | H36 | 62.6° | 60.0° |
| C24 | C25 | C26 | H37 | 56.0° | 60.0° |
| C24 | C25 | C26 | N16 | 176.7° | 180.0° |
| C25 | C24 | C31 | O7 | 72.3° | 120.0° |
| C25 | C24 | N15 | C23 | 175.4° | 85.0° |
| C25 | C24 | C31 | N19 | 108.9° | 60.0° |
| H35 | C25 | H34 | C26 | 118.8° | 120.0° |
| H35 | C25 | C26 | H36 | 177.0° | 60.1° |
| H35 | C25 | C26 | H37 | 64.5° | 180.0° |
| H35 | C25 | C26 | N16 | 56.3° | 60.0° |
| H34 | C25 | C26 | H36 | 57.8° | 179.9° |
| H34 | C25 | C26 | H37 | 176.4° | 60.0° |
| H34 | C25 | C26 | N16 | 62.9° | 60.0° |
| C25 | C26 | H36 | H37 | 117.7° | 120.0° |
| C25 | C26 | H36 | N16 | 124.5° | 120.0° |
| C25 | C26 | H37 | N16 | 124.5° | 120.0° |
| C25 | C26 | N16 | C30 | 76.2° | 90.0° |
| C25 | C26 | N16 | C27 | 104.3° | 89.7° |
| H36 | C26 | H37 | N16 | 117.7° | 120.0° |
| H36 | C26 | N16 | C30 | 44.6° | 30.0° |
| H36 | C26 | N16 | C27 | 135.0° | 150.2° |
| H37 | C26 | N16 | C30 | 163.1° | 150.0° |
| H37 | C26 | N16 | C27 | 16.5° | 30.3° |
| C26 | N16 | C30 | C27 | 179.6° | 179.7° |
| C26 | N16 | C27 | H38 | 0.4° | 0.1° |
| C26 | N16 | C27 | C28 | 179.6° | 179.9° |
| C26 | N16 | C30 | N18 | 178.8° | 179.8° |
| C26 | N16 | C30 | O6 | 2.2° | 0.0° |
| C30 | N16 | C27 | H38 | 179.2° | 179.8° |
| C30 | N16 | C27 | C28 | 0.8° | 0.2° |
| N16 | C30 | N18 | C29 | 2.3° | 0.5° |
| N16 | C30 | N18 | O6 | 176.4° | 179.8° |
| N16 | C27 | H38 | C28 | 180.0° | 180.0° |
| N16 | C27 | C28 | C29 | 0.9° | 0.0° |
| N16 | C27 | C28 | H39 | 179.1° | 180.0° |
| C27 | N16 | C30 | N18 | 0.8° | 0.5° |
| C27 | N16 | C30 | O6 | 177.4° | 179.7° |
| H38 | C27 | C28 | C29 | 179.1° | 180.0° |
| H38 | C27 | C28 | H39 | 0.9° | 0.0° |
| C27 | C28 | C29 | H39 | 180.0° | 180.0° |
| C27 | C28 | C29 | N18 | 0.6° | 0.0° |
| C27 | C28 | C29 | N17 | 177.3° | 180.0° |
| C28 | C29 | N18 | N17 | 178.0° | 180.0° |
| C28 | C29 | N17 | H40 | 178.1° | 0.1° |
| C28 | C29 | N17 | H41 | 2.0° | 180.0° |
| C28 | C29 | N18 | C30 | 2.2° | 0.2° |
| H39 | C28 | C29 | N18 | 179.4° | 180.0° |
| H39 | C28 | C29 | N17 | 2.7° | 0.0° |
| N18 | C29 | N17 | H40 | 0.0° | 180.0° |
| N18 | C29 | N17 | H41 | 180.0° | 0.0° |
| C29 | N18 | C30 | O6 | 178.7° | 179.7° |
| C29 | N17 | H40 | H41 | 180.0° | 179.9° |
| N17 | C29 | N18 | C30 | 175.7° | 179.7° |
| O7 | C31 | N19 | C36 | 6.7° | 0.0° |
| O7 | C31 | N19 | H43 | 173.3° | 180.0° |
| N23 | C32 | N22 | N21 | 178.4° | 179.7° |
| N23 | C32 | N21 | C33 | 1.8° | 0.2° |
| C32 | N23 | C35 | C34 | 0.8° | 0.0° |
| C32 | N23 | C35 | O8 | 178.4° | 179.8° |
| C32 | N23 | C35 | H42 | 180.0° | 179.9° |
| N23 | C32 | N22 | H48 | 178.4° | 0.2° |
| N23 | C32 | N22 | H47 | 1.6° | 179.7° |
| N22 | C32 | N21 | C33 | 180.0° | 180.0° |
| N22 | C32 | N23 | C35 | 179.7° | 180.0° |
| C32 | N22 | H48 | H47 | 179.9° | 179.9° |
| N22 | C32 | N23 | H42 | 0.3° | 0.0° |
| C32 | N21 | C33 | C34 | 1.8° | 0.0° |
| C32 | N21 | C33 | N20 | 177.9° | 180.0° |
| N21 | C32 | N23 | C35 | 1.4° | 0.3° |
| N21 | C32 | N22 | H48 | 0.0° | 179.9° |
| N21 | C32 | N22 | H47 | 180.0° | 0.0° |
| N21 | C32 | N23 | H42 | 178.6° | 179.7° |
| C34 | C33 | N21 | N20 | 179.8° | 179.9° |
| C33 | C34 | C35 | N24 | 178.1° | 179.6° |
| C33 | C34 | C35 | O8 | 178.0° | 180.0° |
| C33 | C34 | C35 | N23 | 0.7° | 0.3° |
| C34 | C33 | N20 | C37 | 178.3° | 180.0° |
| C34 | C33 | N20 | C38 | 0.5° | 0.0° |
| C33 | C34 | N24 | C38 | 0.6° | 0.1° |
| N21 | C33 | C34 | C35 | 1.4° | 0.3° |
| N21 | C33 | C34 | N24 | 179.9° | 180.0° |
| N21 | C33 | N20 | C37 | 1.6° | 0.0° |
| N21 | C33 | N20 | C38 | 179.3° | 179.9° |
| N20 | C33 | C34 | C35 | 178.4° | 179.8° |
| N20 | C33 | C34 | N24 | 0.1° | 0.0° |
| C33 | N20 | C37 | C36 | 59.1° | 85.0° |
| C33 | N20 | C37 | C38 | 177.4° | 180.0° |
| C33 | N20 | C37 | H45 | 61.0° | 34.9° |
| C33 | N20 | C37 | H46 | 179.2° | 155.0° |
| C33 | N20 | C38 | N24 | 0.9° | 0.0° |
| C33 | N20 | C38 | H49 | 179.0° | 179.9° |
| C34 | C35 | O8 | N23 | 177.1° | 179.8° |
| C34 | C35 | N23 | H42 | 179.3° | 179.9° |
| C35 | C34 | N24 | C38 | 177.6° | 179.7° |
| N24 | C34 | C35 | O8 | 3.9° | 0.3° |
| N24 | C34 | C35 | N23 | 178.9° | 179.9° |
| C34 | N24 | C38 | N20 | 1.0° | 0.1° |
| C34 | N24 | C38 | H49 | 179.0° | 179.9° |
| O8 | C35 | N23 | H42 | 1.6° | 0.3° |
| C36 | N19 | H43 | C31 | 180.0° | 180.0° |
| N19 | C36 | C37 | H44 | 118.2° | 120.0° |
| N19 | C36 | C37 | C39 | 125.1° | 120.0° |
| N19 | C36 | H44 | C39 | 123.3° | 120.0° |
| N19 | C36 | C37 | N20 | 54.5° | 65.0° |
| N19 | C36 | C37 | H45 | 174.6° | 175.0° |
| N19 | C36 | C37 | H46 | 65.6° | 55.0° |
| N19 | C36 | C39 | O9 | 171.9° | 0.0° |
| N19 | C36 | C39 | N25 | 9.6° | 180.0° |
| H43 | N19 | C36 | C37 | 33.5° | 95.0° |
| H43 | N19 | C36 | H44 | 150.8° | 145.0° |
| H43 | N19 | C36 | C39 | 89.2° | 25.0° |
| C37 | C36 | H44 | C39 | 117.7° | 120.0° |
| C36 | C37 | N20 | H45 | 120.1° | 119.9° |
| C36 | C37 | N20 | H46 | 120.1° | 120.0° |
| C36 | C37 | H45 | H46 | 119.7° | 120.0° |
| C36 | C37 | N20 | C38 | 118.4° | 95.0° |
| C37 | C36 | C39 | O9 | 48.8° | 120.0° |
| C37 | C36 | N19 | C31 | 146.5° | 85.0° |
| C37 | C36 | C39 | N25 | 132.7° | 60.1° |
| H44 | C36 | C37 | N20 | 63.7° | 55.0° |
| H44 | C36 | C37 | H45 | 56.4° | 65.0° |
| H44 | C36 | C37 | H46 | 176.2° | 175.0° |
| H44 | C36 | C39 | O9 | 67.6° | 120.0° |
| H44 | C36 | N19 | C31 | 29.2° | 35.0° |
| H44 | C36 | C39 | N25 | 110.9° | 60.0° |
| C39 | C36 | C37 | N20 | 179.6° | 175.0° |
| C39 | C36 | C37 | H45 | 60.3° | 55.0° |
| C39 | C36 | C37 | H46 | 59.5° | 65.0° |
| C36 | C39 | O9 | N25 | 178.4° | 180.0° |
| C36 | C39 | N25 | H50 | 3.2° | 0.1° |
| C36 | C39 | N25 | C40 | 176.8° | 180.0° |
| C39 | C36 | N19 | C31 | 90.8° | 155.0° |
| N20 | C37 | H45 | H46 | 119.7° | 120.0° |
| C37 | N20 | C38 | N24 | 178.8° | 180.0° |
| C37 | N20 | C38 | H49 | 1.2° | 0.1° |
| H45 | C37 | N20 | C38 | 121.6° | 145.1° |
| H46 | C37 | N20 | C38 | 1.8° | 25.1° |
| N20 | C38 | N24 | H49 | 180.0° | 179.9° |
| O9 | C39 | N25 | H50 | 178.4° | 179.9° |
| O9 | C39 | N25 | C40 | 1.6° | 0.0° |
| H50 | N25 | C40 | C39 | 180.0° | 179.9° |
| H50 | N25 | C40 | C47 | 112.4° | 25.1° |
| H50 | N25 | C40 | H51 | 127.8° | 145.1° |
| H50 | N25 | C40 | C41 | 8.9° | 94.9° |
| N25 | C40 | C47 | H51 | 120.1° | 120.0° |
| N25 | C40 | C47 | C41 | 118.8° | 120.0° |
| N25 | C40 | H51 | C41 | 118.0° | 120.0° |
| N25 | C40 | C41 | H53 | 57.2° | 175.0° |
| N25 | C40 | C41 | H52 | 62.3° | 55.0° |
| N25 | C40 | C41 | C42 | 177.5° | 65.0° |
| N25 | C40 | C47 | O11 | 42.8° | 0.0° |
| N25 | C40 | C47 | N29 | 137.9° | 180.0° |
| C47 | C40 | H51 | C41 | 122.6° | 120.0° |
| C47 | C40 | C41 | H53 | 176.7° | 55.0° |
| C47 | C40 | C41 | H52 | 57.1° | 65.0° |
| C47 | C40 | C41 | C42 | 63.1° | 175.0° |
| C40 | C47 | O11 | N29 | 179.3° | 180.0° |
| C40 | C47 | N29 | C52 | 172.2° | 180.0° |
| C40 | C47 | N29 | H60 | 7.8° | 0.0° |
| C47 | C40 | N25 | C39 | 67.6° | 155.0° |
| H51 | C40 | C41 | H53 | 62.1° | 65.0° |
| H51 | C40 | C41 | H52 | 178.3° | 175.0° |
| H51 | C40 | C41 | C42 | 58.1° | 55.0° |
| H51 | C40 | C47 | O11 | 162.8° | 120.0° |
| H51 | C40 | N25 | C39 | 52.2° | 35.0° |
| H51 | C40 | C47 | N29 | 17.8° | 60.0° |
| C40 | C41 | H53 | H52 | 119.3° | 120.1° |
| C40 | C41 | H53 | C42 | 121.4° | 120.0° |
| C40 | C41 | H52 | C42 | 121.3° | 120.0° |
| C40 | C41 | C42 | H54 | 58.5° | 60.0° |
| C40 | C41 | C42 | H55 | 60.3° | 60.0° |
| C40 | C41 | C42 | N26 | 179.1° | 180.0° |
| C41 | C40 | C47 | O11 | 76.0° | 120.0° |
| C41 | C40 | N25 | C39 | 171.1° | 85.0° |
| C41 | C40 | C47 | N29 | 103.4° | 60.0° |
| H53 | C41 | H52 | C42 | 119.3° | 120.0° |
| H53 | C41 | C42 | H54 | 178.7° | 60.0° |
| H53 | C41 | C42 | H55 | 60.0° | 180.0° |
| H53 | C41 | C42 | N26 | 60.7° | 60.0° |
| H52 | C41 | C42 | H54 | 61.7° | 180.0° |
| H52 | C41 | C42 | H55 | 179.5° | 60.0° |
| H52 | C41 | C42 | N26 | 58.9° | 60.0° |
| C41 | C42 | H54 | H55 | 118.1° | 120.0° |
| C41 | C42 | H54 | N26 | 123.8° | 120.0° |
| C41 | C42 | H55 | N26 | 123.8° | 120.0° |
| C41 | C42 | N26 | C46 | 88.3° | 90.1° |
| C41 | C42 | N26 | C43 | 89.0° | 89.8° |
| H54 | C42 | H55 | N26 | 118.1° | 120.0° |
| H54 | C42 | N26 | C46 | 151.1° | 30.0° |
| H54 | C42 | N26 | C43 | 31.6° | 150.2° |
| H55 | C42 | N26 | C46 | 32.3° | 150.0° |
| H55 | C42 | N26 | C43 | 150.4° | 30.2° |
| C42 | N26 | C46 | C43 | 177.2° | 179.8° |
| C42 | N26 | C43 | H56 | 0.1° | 0.1° |
| C42 | N26 | C43 | C44 | 179.9° | 180.0° |
| C42 | N26 | C46 | N28 | 176.1° | 179.7° |
| C42 | N26 | C46 | O10 | 1.3° | 0.1° |
| C46 | N26 | C43 | H56 | 177.2° | 179.8° |
| C46 | N26 | C43 | C44 | 2.8° | 0.2° |
| N26 | C46 | N28 | C45 | 5.5° | 0.5° |
| N26 | C46 | N28 | O10 | 177.3° | 179.8° |
| N26 | C43 | H56 | C44 | 180.0° | 179.9° |
| N26 | C43 | C44 | C45 | 2.2° | 0.1° |
| N26 | C43 | C44 | H57 | 177.8° | 180.0° |
| C43 | N26 | C46 | N28 | 6.7° | 0.4° |
| C43 | N26 | C46 | O10 | 175.9° | 179.8° |
| H56 | C43 | C44 | C45 | 177.8° | 180.0° |
| H56 | C43 | C44 | H57 | 2.2° | 0.1° |
| C43 | C44 | C45 | H57 | 180.0° | 179.9° |
| C43 | C44 | C45 | N28 | 3.4° | 0.0° |
| C43 | C44 | C45 | N27 | 173.9° | 180.0° |
| C44 | C45 | N28 | N27 | 177.3° | 180.0° |
| C44 | C45 | N27 | H58 | 177.4° | 0.0° |
| C44 | C45 | N27 | H59 | 2.6° | 180.0° |
| C44 | C45 | N28 | C46 | 0.6° | 0.3° |
| H57 | C44 | C45 | N28 | 176.7° | 179.9° |
| H57 | C44 | C45 | N27 | 6.0° | 0.1° |
| N28 | C45 | N27 | H58 | 0.0° | 180.0° |
| N28 | C45 | N27 | H59 | 180.0° | 0.1° |
| C45 | N28 | C46 | O10 | 177.2° | 179.7° |
| C45 | N27 | H58 | H59 | 180.0° | 179.9° |
| N27 | C45 | N28 | C46 | 177.9° | 179.7° |
| O11 | C47 | N29 | C52 | 8.5° | 0.0° |
| O11 | C47 | N29 | H60 | 171.5° | 180.0° |
| N32 | C48 | N30 | O12 | 178.7° | 179.7° |
| C48 | N32 | C49 | N31 | 179.1° | 180.0° |
| C48 | N32 | C49 | C50 | 1.6° | 0.0° |
| N32 | C48 | N30 | C51 | 0.0° | 0.3° |
| N32 | C48 | N30 | C53 | 179.9° | 179.7° |
| N30 | C48 | N32 | C49 | 0.2° | 0.3° |
| C48 | N30 | C51 | C50 | 1.4° | 0.0° |
| C48 | N30 | C51 | H64 | 178.6° | 179.7° |
| C48 | N30 | C51 | C53 | 179.9° | 180.0° |
| C48 | N30 | C53 | C52 | 95.7° | 90.0° |
| C48 | N30 | C53 | H62 | 143.3° | 150.0° |
| C48 | N30 | C53 | H63 | 25.4° | 29.9° |
| O12 | C48 | N32 | C49 | 178.9° | 180.0° |
| O12 | C48 | N30 | C51 | 178.8° | 180.0° |
| O12 | C48 | N30 | C53 | 1.4° | 0.0° |
| N31 | C49 | C50 | N32 | 177.5° | 180.0° |
| N31 | C49 | C50 | H65 | 0.3° | 0.0° |
| N31 | C49 | C50 | C51 | 179.7° | 179.7° |
| C49 | N31 | H67 | H66 | 180.0° | 180.0° |
| C49 | C50 | H65 | C51 | 180.0° | 179.7° |
| C49 | C50 | C51 | H64 | 177.4° | 180.0° |
| C49 | C50 | C51 | N30 | 2.6° | 0.2° |
| C50 | C49 | N31 | H67 | 177.6° | 0.0° |
| C50 | C49 | N31 | H66 | 2.4° | 180.0° |
| N32 | C49 | C50 | H65 | 177.2° | 179.9° |
| N32 | C49 | C50 | C51 | 2.8° | 0.2° |
| N32 | C49 | N31 | H67 | 0.0° | 180.0° |
| N32 | C49 | N31 | H66 | 180.0° | 0.0° |
| H65 | C50 | C51 | H64 | 2.6° | 0.3° |
| H65 | C50 | C51 | N30 | 177.4° | 179.9° |
| C50 | C51 | H64 | N30 | 180.0° | 179.8° |
| C50 | C51 | N30 | C53 | 178.7° | 180.0° |
| H64 | C51 | N30 | C53 | 1.2° | 0.3° |
| C51 | N30 | C53 | C52 | 84.2° | 90.1° |
| C51 | N30 | C53 | H62 | 36.9° | 30.0° |
| C51 | N30 | C53 | H63 | 154.8° | 150.0° |
| C52 | N29 | H60 | C47 | 180.0° | 180.0° |
| N29 | C52 | H61 | C53 | 122.4° | 120.1° |
| N29 | C52 | H61 | C54 | 121.9° | 120.0° |
| N29 | C52 | C53 | C54 | 124.2° | 120.0° |
| N29 | C52 | C53 | N30 | 52.3° | 55.0° |
| N29 | C52 | C53 | H62 | 173.3° | 175.0° |
| N29 | C52 | C53 | H63 | 68.7° | 64.9° |
| N29 | C52 | C54 | O13 | 161.9° | 0.0° |
| N29 | C52 | C54 | N33 | 17.6° | 180.0° |
| H60 | N29 | C52 | H61 | 168.2° | 145.0° |
| H60 | N29 | C52 | C53 | 48.7° | 95.0° |
| H60 | N29 | C52 | C54 | 72.9° | 25.0° |
| H61 | C52 | C53 | C54 | 115.5° | 119.9° |
| H61 | C52 | C53 | N30 | 68.0° | 65.1° |
| H61 | C52 | C53 | H62 | 53.0° | 55.0° |
| H61 | C52 | C53 | H63 | 170.9° | 175.0° |
| H61 | C52 | C54 | O13 | 78.2° | 120.0° |
| H61 | C52 | N29 | C47 | 11.8° | 35.0° |
| H61 | C52 | C54 | N33 | 102.3° | 60.0° |
| C52 | C53 | N30 | H62 | 121.1° | 120.0° |
| C52 | C53 | N30 | H63 | 121.0° | 119.9° |
| C52 | C53 | H62 | H63 | 116.7° | 120.0° |
| C53 | C52 | C54 | O13 | 37.6° | 120.0° |
| C53 | C52 | N29 | C47 | 131.4° | 85.0° |
| C53 | C52 | C54 | N33 | 141.9° | 60.0° |
| C54 | C52 | C53 | N30 | 176.5° | 175.0° |
| C54 | C52 | C53 | H62 | 62.5° | 65.0° |
| C54 | C52 | C53 | H63 | 55.4° | 55.1° |
| C52 | C54 | O13 | N33 | 179.4° | 180.0° |
| C52 | C54 | N33 | C55 | 64.8° | 180.0° |
| C52 | C54 | N33 | H68 | 115.2° | 0.0° |
| C54 | C52 | N29 | C47 | 107.1° | 155.0° |
| N30 | C53 | H62 | H63 | 116.7° | 120.0° |
| O13 | C54 | N33 | C55 | 114.7° | 0.0° |
| O13 | C54 | N33 | H68 | 65.3° | 180.0° |
| C55 | N33 | H68 | C54 | 180.0° | 180.0° |
| N33 | C55 | C56 | C57 | 90.0° | 120.0° |
| N33 | C55 | C56 | H69 | 90.0° | 120.0° |
| N33 | C55 | C57 | H69 | 90.0° | 120.0° |
| N33 | C55 | C56 | O14 | 90.0° | 0.0° |
| N33 | C55 | C56 | O15 | 90.0° | 180.0° |
| N33 | C55 | C57 | C58 | 90.0° | 65.0° |
| N33 | C55 | C57 | H70 | 90.0° | 175.0° |
| N33 | C55 | C57 | H71 | 90.0° | 55.0° |
| H68 | N33 | C55 | C56 | 90.0° | 95.0° |
| H68 | N33 | C55 | C57 | 90.0° | 25.0° |
| H68 | N33 | C55 | H69 | 90.0° | 145.1° |
| C56 | C55 | C57 | H69 | 90.0° | 120.0° |
| C55 | C56 | O14 | O15 | 90.0° | 180.0° |
| C56 | C55 | C57 | C58 | 90.0° | 175.0° |
| C56 | C55 | C57 | H70 | 90.0° | 55.0° |
| C56 | C55 | C57 | H71 | 90.0° | 65.0° |
| C55 | C56 | O15 | H81 | 90.0° | 179.9° |
| C56 | C55 | N33 | C54 | 90.0° | 85.0° |
| C57 | C55 | C56 | O14 | 90.0° | 120.0° |
| C57 | C55 | C56 | O15 | 90.0° | 60.0° |
| C55 | C57 | C58 | H70 | 90.0° | 120.0° |
| C55 | C57 | C58 | H71 | 90.0° | 120.0° |
| C55 | C57 | H70 | H71 | 90.0° | 120.0° |
| C55 | C57 | C58 | C59 | 90.0° | 180.0° |
| C55 | C57 | C58 | H72 | 90.0° | 60.0° |
| C55 | C57 | C58 | H73 | 90.0° | 60.0° |
| C57 | C55 | N33 | C54 | 90.0° | 155.0° |
| H69 | C55 | C56 | O14 | 90.0° | 120.0° |
| H69 | C55 | C56 | O15 | 90.0° | 60.0° |
| H69 | C55 | C57 | C58 | 90.0° | 55.0° |
| H69 | C55 | C57 | H70 | 90.0° | 65.0° |
| H69 | C55 | C57 | H71 | 90.0° | 175.0° |
| H69 | C55 | N33 | C54 | 90.0° | 35.0° |
| O14 | C56 | O15 | H81 | 90.0° | 0.1° |
| C58 | C57 | H70 | H71 | 90.0° | 119.9° |
| C57 | C58 | C59 | H72 | 90.0° | 120.1° |
| C57 | C58 | C59 | H73 | 90.0° | 120.0° |
| C57 | C58 | H72 | H73 | 90.0° | 120.0° |
| C57 | C58 | C59 | C60 | 90.0° | 180.0° |
| C57 | C58 | C59 | H74 | 90.0° | 60.0° |
| C57 | C58 | C59 | H75 | 90.0° | 60.0° |
| H70 | C57 | C58 | C59 | 90.0° | 60.0° |
| H70 | C57 | C58 | H72 | 90.0° | 180.0° |
| H70 | C57 | C58 | H73 | 90.0° | 60.0° |
| H71 | C57 | C58 | C59 | 90.0° | 60.0° |
| H71 | C57 | C58 | H72 | 90.0° | 60.0° |
| H71 | C57 | C58 | H73 | 90.0° | 180.0° |
| C59 | C58 | H72 | H73 | 90.0° | 119.9° |
| C58 | C59 | C60 | H74 | 90.0° | 120.0° |
| C58 | C59 | C60 | H75 | 90.0° | 120.0° |
| C58 | C59 | H74 | H75 | 90.0° | 120.0° |
| C58 | C59 | C60 | N34 | 90.0° | 180.0° |
| C58 | C59 | C60 | H76 | 90.0° | 60.0° |
| C58 | C59 | C60 | H77 | 90.0° | 60.0° |
| H72 | C58 | C59 | C60 | 90.0° | 59.9° |
| H72 | C58 | C59 | H74 | 90.0° | 179.9° |
| H72 | C58 | C59 | H75 | 90.0° | 60.1° |
| H73 | C58 | C59 | C60 | 90.0° | 60.0° |
| H73 | C58 | C59 | H74 | 90.0° | 60.0° |
| H73 | C58 | C59 | H75 | 90.0° | 180.0° |
| C60 | C59 | H74 | H75 | 90.0° | 120.0° |
| C59 | C60 | N34 | H76 | 90.0° | 120.0° |
| C59 | C60 | N34 | H77 | 90.0° | 120.0° |
| C59 | C60 | H76 | H77 | 90.0° | 120.0° |
| C59 | C60 | N34 | H78 | 90.0° | 60.0° |
| C59 | C60 | N34 | H79 | 90.0° | 59.9° |
| C59 | C60 | N34 | H80 | 90.0° | 180.0° |
| H74 | C59 | C60 | N34 | 90.0° | 60.1° |
| H74 | C59 | C60 | H76 | 90.0° | 179.9° |
| H74 | C59 | C60 | H77 | 90.0° | 60.0° |
| H75 | C59 | C60 | N34 | 90.0° | 60.0° |
| H75 | C59 | C60 | H76 | 90.0° | 60.0° |
| H75 | C59 | C60 | H77 | 90.0° | 180.0° |
| N34 | C60 | H76 | H77 | 90.0° | 120.0° |
| C60 | N34 | H78 | H79 | 90.0° | 120.0° |
| C60 | N34 | H78 | H80 | 90.0° | 120.0° |
| C60 | N34 | H79 | H80 | 90.0° | 120.1° |
| H76 | C60 | N34 | H78 | 90.0° | 180.0° |
| H76 | C60 | N34 | H79 | 90.0° | 60.0° |
| H76 | C60 | N34 | H80 | 90.0° | 60.0° |
| H77 | C60 | N34 | H78 | 90.0° | 60.0° |
| H77 | C60 | N34 | H79 | 90.0° | 180.0° |
| H77 | C60 | N34 | H80 | 90.0° | 60.0° |
| H78 | N34 | H79 | H80 | 90.0° | 120.0° |
