PRD_000827
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| N2 | C4 | sing | 1.48Å | 1.48Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.36Å | Aromatic |
| N3 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | C10 | sing | 1.48Å | 1.48Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | N6 | sing | 1.47Å | 1.46Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| N6 | H24 | sing | 1.01Å | 1.00Å | |
| N6 | H25 | sing | 1.01Å | 1.00Å | |
| N6 | H26 | sing | 1.01Å | 1.00Å | |
| N7 | C16 | sing | 1.48Å | 1.49Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C16 | C18 | sing | 1.53Å | 1.60Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.24Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.50Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| N8 | C22 | sing | 1.48Å | 1.47Å | |
| N8 | H38 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.24Å | |
| C25 | O8 | sing | 1.34Å | 1.26Å | |
| O8 | H42 | sing | 0.97Å | 0.95Å | |
| N9 | C26 | sing | 1.48Å | 1.47Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.24Å | |
| C28 | C29 | sing | 1.51Å | 1.57Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.22Å | |
| C29 | N10 | sing | 1.35Å | 1.33Å | |
| N10 | H47 | sing | 0.97Å | 1.00Å | |
| N10 | H48 | sing | 0.97Å | 1.00Å | |
| N11 | C30 | sing | 1.48Å | 1.47Å | |
| N11 | H49 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | O11 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C35 | H59 | sing | 1.09Å | 1.10Å | |
| N12 | C36 | sing | 1.48Å | 1.48Å | |
| N12 | H60 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | O12 | doub | 1.21Å | 1.24Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | O13 | doub | 1.21Å | 1.26Å | |
| C39 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H64 | sing | 0.97Å | 0.95Å | |
| N1 | C37 | sing | 1.37Å | 1.33Å | |
| C2 | N2 | sing | 1.36Å | 1.33Å | |
| C5 | N5 | sing | 1.37Å | 1.33Å | |
| C11 | N7 | sing | 1.36Å | 1.34Å | |
| C17 | N8 | sing | 1.37Å | 1.34Å | |
| C23 | N9 | sing | 1.36Å | 1.34Å | |
| C27 | N11 | sing | 1.37Å | 1.34Å | |
| C31 | N12 | sing | 1.36Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.6° | 122.2° |
| N1 | C1 | C2 | 110.9° | 108.7° |
| N1 | C1 | C3 | 110.7° | 109.6° |
| N1 | C1 | H2 | 108.2° | 109.7° |
| C1 | N1 | C37 | 122.8° | 115.5° |
| H1 | N1 | C37 | 118.6° | 122.3° |
| C2 | C1 | C3 | 112.3° | 109.6° |
| C2 | C1 | H2 | 107.3° | 109.6° |
| C1 | C2 | O1 | 121.5° | 120.4° |
| C1 | C2 | N2 | 115.0° | 119.0° |
| C3 | C1 | H2 | 107.2° | 109.7° |
| C1 | C3 | O2 | 111.7° | 109.5° |
| C1 | C3 | H3 | 108.9° | 109.4° |
| C1 | C3 | H4 | 108.9° | 109.5° |
| O1 | C2 | N2 | 123.5° | 120.5° |
| O2 | C3 | H3 | 108.9° | 109.4° |
| O2 | C3 | H4 | 108.9° | 109.5° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C4 | N2 | H6 | 117.5° | 121.7° |
| N2 | C4 | C5 | 118.7° | 108.8° |
| N2 | C4 | C6 | 112.8° | 109.6° |
| N2 | C4 | H7 | 105.1° | 109.6° |
| C4 | N2 | C2 | 124.9° | 116.5° |
| H6 | N2 | C2 | 117.5° | 121.8° |
| C5 | C4 | C6 | 109.7° | 109.6° |
| C5 | C4 | H7 | 104.6° | 109.6° |
| C4 | C5 | O3 | 119.8° | 120.6° |
| C4 | C5 | N5 | 117.7° | 118.8° |
| C6 | C4 | H7 | 104.5° | 109.7° |
| C4 | C6 | C7 | 113.1° | 109.5° |
| C4 | C6 | H8 | 108.6° | 109.5° |
| C4 | C6 | H9 | 108.6° | 109.5° |
| O3 | C5 | N5 | 122.5° | 120.6° |
| C7 | C6 | H8 | 108.6° | 109.5° |
| C7 | C6 | H9 | 108.6° | 109.5° |
| C6 | C7 | N3 | 122.9° | 126.0° |
| C6 | C7 | C8 | 131.2° | 126.0° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| N3 | C7 | C8 | 105.9° | 108.0° |
| C7 | N3 | C9 | 109.6° | 109.3° |
| C7 | N3 | H10 | 125.2° | 125.4° |
| C7 | C8 | N4 | 107.2° | 106.8° |
| C7 | C8 | H11 | 126.4° | 126.6° |
| C9 | N3 | H10 | 125.2° | 125.3° |
| N3 | C9 | N4 | 108.2° | 108.7° |
| N3 | C9 | H12 | 125.9° | 125.7° |
| N4 | C8 | H11 | 126.4° | 126.6° |
| C8 | N4 | C9 | 109.0° | 107.2° |
| C8 | N4 | H13 | 125.4° | 126.4° |
| N4 | C9 | H12 | 125.9° | 125.7° |
| C9 | N4 | H13 | 125.5° | 126.4° |
| C10 | N5 | H14 | 119.1° | 122.3° |
| N5 | C10 | C11 | 108.6° | 108.7° |
| N5 | C10 | C12 | 108.6° | 109.6° |
| N5 | C10 | H15 | 110.8° | 109.6° |
| C10 | N5 | C5 | 121.7° | 115.5° |
| H14 | N5 | C5 | 119.2° | 122.3° |
| C11 | C10 | C12 | 108.2° | 109.6° |
| C11 | C10 | H15 | 110.5° | 109.6° |
| C10 | C11 | O4 | 117.7° | 120.5° |
| C10 | C11 | N7 | 120.8° | 119.1° |
| C12 | C10 | H15 | 110.1° | 109.7° |
| C10 | C12 | C13 | 115.5° | 109.5° |
| C10 | C12 | H16 | 108.0° | 109.5° |
| C10 | C12 | H17 | 108.0° | 109.5° |
| O4 | C11 | N7 | 121.4° | 120.4° |
| C13 | C12 | H16 | 107.9° | 109.5° |
| C13 | C12 | H17 | 107.9° | 109.4° |
| C12 | C13 | C14 | 113.7° | 109.5° |
| C12 | C13 | H18 | 108.4° | 109.5° |
| C12 | C13 | H19 | 108.4° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| C14 | C13 | H18 | 108.4° | 109.5° |
| C14 | C13 | H19 | 108.4° | 109.4° |
| C13 | C14 | C15 | 107.3° | 109.4° |
| C13 | C14 | H20 | 110.0° | 109.4° |
| C13 | C14 | H21 | 110.0° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| C15 | C14 | H20 | 110.0° | 109.5° |
| C15 | C14 | H21 | 110.0° | 109.5° |
| C14 | C15 | N6 | 111.7° | 109.4° |
| C14 | C15 | H22 | 108.9° | 109.5° |
| C14 | C15 | H23 | 108.9° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| N6 | C15 | H22 | 108.9° | 109.5° |
| N6 | C15 | H23 | 108.9° | 109.4° |
| C15 | N6 | H24 | 109.5° | 109.5° |
| C15 | N6 | H25 | 109.5° | 109.5° |
| C15 | N6 | H26 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | N6 | H25 | 109.5° | 109.5° |
| H24 | N6 | H26 | 109.5° | 109.5° |
| H25 | N6 | H26 | 109.5° | 109.5° |
| C16 | N7 | H27 | 120.2° | 121.7° |
| N7 | C16 | C17 | 111.7° | 108.9° |
| N7 | C16 | C18 | 115.2° | 109.6° |
| N7 | C16 | H28 | 107.3° | 109.6° |
| C16 | N7 | C11 | 119.5° | 116.6° |
| H27 | N7 | C11 | 120.3° | 121.7° |
| C17 | C16 | C18 | 109.3° | 109.6° |
| C17 | C16 | H28 | 106.6° | 109.6° |
| C16 | C17 | O5 | 120.5° | 120.6° |
| C16 | C17 | N8 | 116.6° | 118.8° |
| C18 | C16 | H28 | 106.1° | 109.7° |
| C16 | C18 | C19 | 111.3° | 109.5° |
| C16 | C18 | C20 | 113.6° | 109.5° |
| C16 | C18 | H29 | 109.9° | 109.5° |
| O5 | C17 | N8 | 122.8° | 120.6° |
| C19 | C18 | C20 | 99.9° | 109.5° |
| C19 | C18 | H29 | 110.9° | 109.5° |
| C18 | C19 | C21 | 113.6° | 109.5° |
| C18 | C19 | H30 | 108.5° | 109.5° |
| C18 | C19 | H31 | 108.4° | 109.5° |
| C20 | C18 | H29 | 110.8° | 109.4° |
| C18 | C20 | H32 | 109.5° | 109.4° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| C21 | C19 | H30 | 108.4° | 109.4° |
| C21 | C19 | H31 | 108.4° | 109.4° |
| C19 | C21 | H35 | 109.5° | 109.5° |
| C19 | C21 | H36 | 109.5° | 109.5° |
| C19 | C21 | H37 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H32 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.5° |
| H35 | C21 | H37 | 109.4° | 109.4° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| C22 | N8 | H38 | 119.7° | 122.3° |
| N8 | C22 | C23 | 109.4° | 108.7° |
| N8 | C22 | C24 | 115.0° | 109.6° |
| N8 | C22 | H39 | 108.1° | 109.5° |
| C22 | N8 | C17 | 120.6° | 115.4° |
| H38 | N8 | C17 | 119.7° | 122.3° |
| C23 | C22 | C24 | 109.6° | 109.6° |
| C23 | C22 | H39 | 107.7° | 109.6° |
| C22 | C23 | O6 | 117.8° | 120.5° |
| C22 | C23 | N9 | 117.0° | 119.1° |
| C24 | C22 | H39 | 106.9° | 109.8° |
| C22 | C24 | C25 | 112.7° | 109.5° |
| C22 | C24 | H40 | 108.7° | 109.5° |
| C22 | C24 | H41 | 108.7° | 109.5° |
| O6 | C23 | N9 | 125.1° | 120.4° |
| C25 | C24 | H40 | 108.7° | 109.5° |
| C25 | C24 | H41 | 108.7° | 109.4° |
| C24 | C25 | O7 | 118.5° | 120.0° |
| C24 | C25 | O8 | 120.2° | 120.0° |
| H40 | C24 | H41 | 109.5° | 109.5° |
| O7 | C25 | O8 | 121.2° | 120.0° |
| C25 | O8 | H42 | 109.5° | 117.0° |
| C26 | N9 | H43 | 118.5° | 121.7° |
| N9 | C26 | C27 | 106.8° | 108.9° |
| N9 | C26 | C28 | 111.8° | 109.6° |
| N9 | C26 | H44 | 109.3° | 109.6° |
| C26 | N9 | C23 | 122.9° | 116.6° |
| H43 | N9 | C23 | 118.5° | 121.7° |
| C27 | C26 | C28 | 112.1° | 109.6° |
| C27 | C26 | H44 | 108.4° | 109.5° |
| C26 | C27 | O9 | 121.4° | 120.6° |
| C26 | C27 | N11 | 115.2° | 118.8° |
| C28 | C26 | H44 | 108.4° | 109.7° |
| C26 | C28 | C29 | 113.5° | 109.5° |
| C26 | C28 | H45 | 108.4° | 109.5° |
| C26 | C28 | H46 | 108.4° | 109.5° |
| O9 | C27 | N11 | 123.3° | 120.6° |
| C29 | C28 | H45 | 108.5° | 109.5° |
| C29 | C28 | H46 | 108.4° | 109.4° |
| C28 | C29 | O10 | 122.0° | 120.0° |
| C28 | C29 | N10 | 116.0° | 120.0° |
| H45 | C28 | H46 | 109.5° | 109.5° |
| O10 | C29 | N10 | 122.0° | 120.0° |
| C29 | N10 | H47 | 120.0° | 120.0° |
| C29 | N10 | H48 | 120.0° | 120.0° |
| H47 | N10 | H48 | 120.0° | 120.1° |
| C30 | N11 | H49 | 119.1° | 122.3° |
| N11 | C30 | C31 | 108.5° | 108.7° |
| N11 | C30 | C32 | 110.1° | 109.6° |
| N11 | C30 | H50 | 109.2° | 109.6° |
| C30 | N11 | C27 | 121.8° | 115.4° |
| H49 | N11 | C27 | 119.1° | 122.3° |
| C31 | C30 | C32 | 112.3° | 109.6° |
| C31 | C30 | H50 | 108.4° | 109.6° |
| C30 | C31 | O11 | 120.4° | 120.4° |
| C30 | C31 | N12 | 115.3° | 119.1° |
| C32 | C30 | H50 | 108.3° | 109.7° |
| C30 | C32 | C33 | 119.0° | 109.5° |
| C30 | C32 | H51 | 107.1° | 109.5° |
| C30 | C32 | H52 | 107.1° | 109.4° |
| O11 | C31 | N12 | 124.2° | 120.5° |
| C33 | C32 | H51 | 107.0° | 109.5° |
| C33 | C32 | H52 | 107.0° | 109.5° |
| C32 | C33 | C34 | 112.1° | 109.5° |
| C32 | C33 | C35 | 112.8° | 109.5° |
| C32 | C33 | H53 | 107.5° | 109.5° |
| H51 | C32 | H52 | 109.4° | 109.4° |
| C34 | C33 | C35 | 108.9° | 109.4° |
| C34 | C33 | H53 | 107.6° | 109.5° |
| C33 | C34 | H54 | 109.5° | 109.5° |
| C33 | C34 | H55 | 109.4° | 109.5° |
| C33 | C34 | H56 | 109.5° | 109.4° |
| C35 | C33 | H53 | 107.6° | 109.5° |
| C33 | C35 | H57 | 109.5° | 109.5° |
| C33 | C35 | H58 | 109.4° | 109.4° |
| C33 | C35 | H59 | 109.5° | 109.5° |
| H54 | C34 | H55 | 109.5° | 109.5° |
| H54 | C34 | H56 | 109.5° | 109.5° |
| H55 | C34 | H56 | 109.5° | 109.4° |
| H57 | C35 | H58 | 109.4° | 109.4° |
| H57 | C35 | H59 | 109.5° | 109.5° |
| H58 | C35 | H59 | 109.5° | 109.4° |
| C36 | N12 | H60 | 118.0° | 121.7° |
| N12 | C36 | C37 | 112.8° | 109.0° |
| N12 | C36 | C38 | 110.8° | 109.6° |
| N12 | C36 | H61 | 108.3° | 109.6° |
| C36 | N12 | C31 | 124.1° | 116.5° |
| H60 | N12 | C31 | 117.9° | 121.7° |
| C37 | C36 | C38 | 109.5° | 109.4° |
| C37 | C36 | H61 | 107.7° | 109.7° |
| C36 | C37 | O12 | 120.5° | 120.6° |
| C36 | C37 | N1 | 115.7° | 118.8° |
| C38 | C36 | H61 | 107.5° | 109.7° |
| C36 | C38 | C39 | 113.0° | 109.5° |
| C36 | C38 | H62 | 108.6° | 109.5° |
| C36 | C38 | H63 | 108.6° | 109.5° |
| O12 | C37 | N1 | 123.8° | 120.6° |
| C39 | C38 | H62 | 108.6° | 109.5° |
| C39 | C38 | H63 | 108.6° | 109.4° |
| C38 | C39 | O13 | 119.9° | 119.9° |
| C38 | C39 | O14 | 117.7° | 120.0° |
| H62 | C38 | H63 | 109.5° | 109.4° |
| O13 | C39 | O14 | 122.4° | 120.1° |
| C39 | O14 | H64 | 109.5° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C37 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 124.5° | 119.7° |
| N1 | C1 | C2 | H2 | 118.0° | 119.8° |
| N1 | C1 | C3 | H2 | 117.8° | 120.4° |
| N1 | C1 | C2 | O1 | 151.1° | 32.8° |
| N1 | C1 | C3 | O2 | 47.0° | 176.9° |
| N1 | C1 | C3 | H3 | 167.4° | 63.2° |
| N1 | C1 | C3 | H4 | 73.3° | 56.9° |
| C1 | N1 | C37 | C36 | 179.5° | 179.8° |
| C1 | N1 | C37 | O12 | 0.6° | 0.1° |
| N1 | C1 | C2 | N2 | 30.0° | 147.2° |
| H1 | N1 | C1 | C2 | 79.5° | 49.4° |
| H1 | N1 | C1 | C3 | 45.8° | 169.1° |
| H1 | N1 | C1 | H2 | 163.0° | 70.4° |
| H1 | N1 | C37 | C36 | 0.5° | 0.4° |
| H1 | N1 | C37 | O12 | 179.4° | 179.9° |
| C2 | C1 | C3 | H2 | 117.6° | 120.4° |
| C1 | C2 | O1 | N2 | 178.9° | 179.9° |
| C2 | C1 | C3 | O2 | 77.5° | 57.8° |
| C2 | C1 | C3 | H3 | 42.8° | 177.7° |
| C2 | C1 | C3 | H4 | 162.1° | 62.3° |
| C1 | C2 | N2 | C4 | 177.8° | 179.9° |
| C1 | C2 | N2 | H6 | 2.2° | 0.1° |
| C2 | C1 | N1 | C37 | 100.5° | 130.8° |
| C3 | C1 | C2 | O1 | 26.6° | 152.5° |
| C1 | C3 | O2 | H3 | 120.4° | 119.9° |
| C1 | C3 | O2 | H4 | 120.3° | 120.0° |
| C1 | C3 | H3 | H4 | 119.0° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C3 | C1 | N1 | C37 | 134.1° | 11.2° |
| C3 | C1 | C2 | N2 | 154.4° | 27.5° |
| H2 | C1 | C2 | O1 | 91.0° | 87.0° |
| H2 | C1 | C3 | O2 | 164.8° | 62.6° |
| H2 | C1 | C3 | H3 | 74.8° | 57.3° |
| H2 | C1 | C3 | H4 | 44.5° | 177.3° |
| H2 | C1 | N1 | C37 | 16.9° | 109.3° |
| H2 | C1 | C2 | N2 | 88.0° | 93.0° |
| O1 | C2 | N2 | C4 | 3.3° | 0.0° |
| O1 | C2 | N2 | H6 | 176.7° | 180.0° |
| O2 | C3 | H3 | H4 | 118.9° | 120.0° |
| H3 | C3 | O2 | H5 | 59.7° | 60.1° |
| H4 | C3 | O2 | H5 | 59.6° | 60.0° |
| C4 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 131.7° | 119.8° |
| N2 | C4 | C5 | H7 | 116.7° | 119.8° |
| N2 | C4 | C6 | H7 | 113.6° | 120.3° |
| N2 | C4 | C5 | O3 | 132.2° | 30.8° |
| N2 | C4 | C6 | C7 | 146.5° | 65.0° |
| N2 | C4 | C6 | H8 | 26.0° | 55.0° |
| N2 | C4 | C6 | H9 | 93.0° | 175.0° |
| N2 | C4 | C5 | N5 | 50.1° | 149.2° |
| H6 | N2 | C4 | C5 | 128.7° | 48.7° |
| H6 | N2 | C4 | C6 | 101.0° | 71.1° |
| H6 | N2 | C4 | H7 | 12.2° | 168.6° |
| C5 | C4 | C6 | H7 | 111.6° | 120.3° |
| C4 | C5 | O3 | N5 | 177.6° | 180.0° |
| C5 | C4 | C6 | C7 | 78.7° | 175.6° |
| C5 | C4 | C6 | H8 | 160.7° | 64.3° |
| C5 | C4 | C6 | H9 | 41.8° | 55.6° |
| C4 | C5 | N5 | C10 | 174.6° | 180.0° |
| C4 | C5 | N5 | H14 | 5.4° | 0.1° |
| C5 | C4 | N2 | C2 | 51.3° | 131.3° |
| C6 | C4 | C5 | O3 | 0.4° | 89.0° |
| C4 | C6 | C7 | H8 | 120.5° | 120.0° |
| C4 | C6 | C7 | H9 | 120.6° | 120.0° |
| C4 | C6 | H8 | H9 | 118.4° | 120.0° |
| C4 | C6 | C7 | N3 | 126.8° | 94.9° |
| C4 | C6 | C7 | C8 | 50.9° | 85.3° |
| C6 | C4 | N2 | C2 | 79.0° | 108.9° |
| C6 | C4 | C5 | N5 | 178.2° | 91.0° |
| H7 | C4 | C5 | O3 | 111.1° | 150.6° |
| H7 | C4 | C6 | C7 | 32.9° | 55.3° |
| H7 | C4 | C6 | H8 | 87.7° | 175.3° |
| H7 | C4 | C6 | H9 | 153.4° | 64.7° |
| H7 | C4 | N2 | C2 | 167.8° | 11.4° |
| H7 | C4 | C5 | N5 | 66.6° | 29.4° |
| O3 | C5 | N5 | C10 | 3.1° | 0.0° |
| O3 | C5 | N5 | H14 | 176.9° | 179.9° |
| C7 | C6 | H8 | H9 | 118.3° | 120.0° |
| C6 | C7 | N3 | C8 | 178.2° | 179.8° |
| C6 | C7 | N3 | C9 | 178.8° | 180.0° |
| C6 | C7 | N3 | H10 | 1.2° | 0.1° |
| C6 | C7 | C8 | N4 | 178.8° | 180.0° |
| C6 | C7 | C8 | H11 | 1.2° | 0.0° |
| H8 | C6 | C7 | N3 | 6.3° | 25.1° |
| H8 | C6 | C7 | C8 | 171.5° | 154.7° |
| H9 | C6 | C7 | N3 | 112.6° | 145.0° |
| H9 | C6 | C7 | C8 | 69.6° | 34.8° |
| C7 | N3 | C9 | H10 | 180.0° | 179.9° |
| N3 | C7 | C8 | N4 | 0.8° | 0.2° |
| N3 | C7 | C8 | H11 | 179.2° | 179.8° |
| C7 | N3 | C9 | N4 | 0.1° | 0.1° |
| C7 | N3 | C9 | H12 | 179.9° | 180.0° |
| C8 | C7 | N3 | C9 | 0.6° | 0.2° |
| C8 | C7 | N3 | H10 | 179.4° | 179.8° |
| C7 | C8 | N4 | H11 | 180.0° | 180.0° |
| C7 | C8 | N4 | C9 | 0.8° | 0.2° |
| C7 | C8 | N4 | H13 | 179.2° | 179.9° |
| N3 | C9 | N4 | C8 | 0.4° | 0.0° |
| N3 | C9 | N4 | H12 | 180.0° | 179.9° |
| N3 | C9 | N4 | H13 | 179.6° | 179.8° |
| H10 | N3 | C9 | N4 | 179.9° | 179.9° |
| H10 | N3 | C9 | H12 | 0.1° | 0.0° |
| C8 | N4 | C9 | H13 | 180.0° | 179.8° |
| C8 | N4 | C9 | H12 | 179.6° | 179.9° |
| H11 | C8 | N4 | C9 | 179.2° | 179.8° |
| H11 | C8 | N4 | H13 | 0.8° | 0.1° |
| H12 | C9 | N4 | H13 | 0.4° | 0.1° |
| C10 | N5 | H14 | C5 | 180.0° | 179.9° |
| N5 | C10 | C11 | C12 | 117.7° | 119.8° |
| N5 | C10 | C11 | H15 | 121.7° | 119.8° |
| N5 | C10 | C12 | H15 | 121.5° | 120.4° |
| N5 | C10 | C11 | O4 | 28.3° | 33.4° |
| N5 | C10 | C12 | C13 | 56.9° | 63.6° |
| N5 | C10 | C12 | H16 | 64.0° | 176.4° |
| N5 | C10 | C12 | H17 | 177.8° | 56.4° |
| N5 | C10 | C11 | N7 | 155.7° | 146.7° |
| H14 | N5 | C10 | C11 | 48.0° | 50.9° |
| H14 | N5 | C10 | C12 | 69.4° | 170.6° |
| H14 | N5 | C10 | H15 | 169.5° | 68.9° |
| C11 | C10 | C12 | H15 | 120.8° | 120.4° |
| C10 | C11 | O4 | N7 | 176.0° | 179.9° |
| C11 | C10 | C12 | C13 | 174.6° | 55.6° |
| C11 | C10 | C12 | H16 | 53.7° | 64.4° |
| C11 | C10 | C12 | H17 | 64.5° | 175.6° |
| C10 | C11 | N7 | C16 | 175.7° | 179.9° |
| C10 | C11 | N7 | H27 | 4.3° | 0.1° |
| C11 | C10 | N5 | C5 | 132.0° | 129.0° |
| C12 | C10 | C11 | O4 | 89.4° | 153.2° |
| C10 | C12 | C13 | H16 | 120.9° | 120.0° |
| C10 | C12 | C13 | H17 | 120.9° | 120.0° |
| C10 | C12 | H16 | H17 | 117.3° | 120.0° |
| C10 | C12 | C13 | C14 | 66.4° | 173.9° |
| C10 | C12 | C13 | H18 | 54.2° | 53.8° |
| C10 | C12 | C13 | H19 | 173.0° | 66.2° |
| C12 | C10 | N5 | C5 | 110.6° | 9.2° |
| C12 | C10 | C11 | N7 | 86.7° | 26.9° |
| H15 | C10 | C11 | O4 | 150.0° | 86.3° |
| H15 | C10 | C12 | C13 | 64.6° | 176.0° |
| H15 | C10 | C12 | H16 | 174.5° | 56.0° |
| H15 | C10 | C12 | H17 | 56.3° | 64.0° |
| H15 | C10 | N5 | C5 | 10.5° | 111.2° |
| H15 | C10 | C11 | N7 | 33.9° | 93.6° |
| O4 | C11 | N7 | C16 | 0.2° | 0.0° |
| O4 | C11 | N7 | H27 | 179.7° | 180.0° |
| C13 | C12 | H16 | H17 | 117.2° | 120.0° |
| C12 | C13 | C14 | H18 | 120.6° | 120.1° |
| C12 | C13 | C14 | H19 | 120.6° | 120.0° |
| C12 | C13 | H18 | H19 | 118.1° | 120.0° |
| C12 | C13 | C14 | C15 | 177.7° | 180.0° |
| C12 | C13 | C14 | H20 | 58.1° | 60.0° |
| C12 | C13 | C14 | H21 | 62.6° | 60.0° |
| H16 | C12 | C13 | C14 | 172.7° | 66.1° |
| H16 | C12 | C13 | H18 | 66.7° | 173.9° |
| H16 | C12 | C13 | H19 | 52.1° | 53.9° |
| H17 | C12 | C13 | C14 | 54.5° | 53.9° |
| H17 | C12 | C13 | H18 | 175.1° | 66.1° |
| H17 | C12 | C13 | H19 | 66.2° | 173.9° |
| C14 | C13 | H18 | H19 | 118.1° | 119.9° |
| C13 | C14 | C15 | H20 | 119.7° | 120.0° |
| C13 | C14 | C15 | H21 | 119.6° | 120.0° |
| C13 | C14 | H20 | H21 | 121.0° | 120.0° |
| C13 | C14 | C15 | N6 | 172.6° | 180.0° |
| C13 | C14 | C15 | H22 | 52.3° | 60.0° |
| C13 | C14 | C15 | H23 | 67.1° | 60.0° |
| H18 | C13 | C14 | C15 | 61.7° | 59.9° |
| H18 | C13 | C14 | H20 | 178.7° | 179.9° |
| H18 | C13 | C14 | H21 | 58.0° | 60.0° |
| H19 | C13 | C14 | C15 | 57.1° | 60.0° |
| H19 | C13 | C14 | H20 | 62.6° | 60.0° |
| H19 | C13 | C14 | H21 | 176.7° | 180.0° |
| C15 | C14 | H20 | H21 | 121.0° | 120.0° |
| C14 | C15 | N6 | H22 | 120.3° | 120.0° |
| C14 | C15 | N6 | H23 | 120.4° | 120.0° |
| C14 | C15 | H22 | H23 | 119.0° | 120.1° |
| C14 | C15 | N6 | H24 | 180.0° | 60.0° |
| C14 | C15 | N6 | H25 | 60.0° | 60.1° |
| C14 | C15 | N6 | H26 | 60.0° | 180.0° |
| H20 | C14 | C15 | N6 | 67.7° | 60.0° |
| H20 | C14 | C15 | H22 | 172.0° | 180.0° |
| H20 | C14 | C15 | H23 | 52.6° | 59.9° |
| H21 | C14 | C15 | N6 | 53.0° | 60.0° |
| H21 | C14 | C15 | H22 | 67.4° | 60.0° |
| H21 | C14 | C15 | H23 | 173.3° | 180.0° |
| N6 | C15 | H22 | H23 | 119.0° | 119.9° |
| C15 | N6 | H24 | H25 | 120.0° | 120.0° |
| C15 | N6 | H24 | H26 | 120.0° | 120.0° |
| C15 | N6 | H25 | H26 | 120.0° | 120.0° |
| H22 | C15 | N6 | H24 | 59.7° | 180.0° |
| H22 | C15 | N6 | H25 | 179.7° | 60.0° |
| H22 | C15 | N6 | H26 | 60.3° | 60.0° |
| H23 | C15 | N6 | H24 | 59.6° | 60.0° |
| H23 | C15 | N6 | H25 | 60.3° | 179.9° |
| H23 | C15 | N6 | H26 | 179.6° | 60.0° |
| H24 | N6 | H25 | H26 | 120.0° | 120.0° |
| C16 | N7 | H27 | C11 | 180.0° | 180.0° |
| N7 | C16 | C17 | C18 | 128.7° | 119.8° |
| N7 | C16 | C17 | H28 | 117.0° | 119.8° |
| N7 | C16 | C18 | H28 | 118.6° | 120.3° |
| N7 | C16 | C17 | O5 | 142.8° | 30.8° |
| N7 | C16 | C18 | C19 | 134.2° | 175.0° |
| N7 | C16 | C18 | C20 | 113.9° | 65.0° |
| N7 | C16 | C18 | H29 | 10.9° | 55.0° |
| N7 | C16 | C17 | N8 | 36.3° | 149.3° |
| H27 | N7 | C16 | C17 | 127.0° | 47.9° |
| H27 | N7 | C16 | C18 | 1.4° | 71.9° |
| H27 | N7 | C16 | H28 | 116.5° | 167.7° |
| C17 | C16 | C18 | H28 | 114.6° | 120.3° |
| C16 | C17 | O5 | N8 | 179.1° | 180.0° |
| C17 | C16 | C18 | C19 | 99.0° | 65.6° |
| C17 | C16 | C18 | C20 | 12.9° | 54.4° |
| C17 | C16 | C18 | H29 | 137.7° | 174.4° |
| C16 | C17 | N8 | C22 | 169.1° | 179.9° |
| C16 | C17 | N8 | H38 | 10.9° | 0.2° |
| C17 | C16 | N7 | C11 | 53.0° | 132.1° |
| C18 | C16 | C17 | O5 | 88.4° | 89.0° |
| C16 | C18 | C19 | C20 | 120.3° | 120.0° |
| C16 | C18 | C19 | H29 | 122.8° | 120.0° |
| C16 | C18 | C20 | H29 | 124.3° | 120.0° |
| C16 | C18 | C19 | C21 | 91.2° | 65.0° |
| C16 | C18 | C19 | H30 | 148.3° | 175.0° |
| C16 | C18 | C19 | H31 | 29.4° | 55.0° |
| C16 | C18 | C20 | H32 | 180.0° | 60.0° |
| C16 | C18 | C20 | H33 | 60.0° | 180.0° |
| C16 | C18 | C20 | H34 | 60.0° | 60.0° |
| C18 | C16 | N7 | C11 | 178.6° | 108.1° |
| C18 | C16 | C17 | N8 | 92.4° | 90.9° |
| H28 | C16 | C17 | O5 | 25.9° | 150.6° |
| H28 | C16 | C18 | C19 | 15.7° | 54.7° |
| H28 | C16 | C18 | C20 | 127.5° | 174.7° |
| H28 | C16 | C18 | H29 | 107.7° | 65.3° |
| H28 | C16 | N7 | C11 | 63.5° | 12.3° |
| H28 | C16 | C17 | N8 | 153.3° | 29.4° |
| O5 | C17 | N8 | C22 | 11.7° | 0.0° |
| O5 | C17 | N8 | H38 | 168.3° | 179.8° |
| C19 | C18 | C20 | H29 | 117.0° | 120.0° |
| C18 | C19 | C21 | H30 | 120.6° | 120.0° |
| C18 | C19 | C21 | H31 | 120.6° | 120.0° |
| C18 | C19 | H30 | H31 | 118.2° | 120.1° |
| C19 | C18 | C20 | H32 | 61.4° | 60.0° |
| C19 | C18 | C20 | H33 | 178.7° | 60.0° |
| C19 | C18 | C20 | H34 | 58.7° | 180.0° |
| C18 | C19 | C21 | H35 | 180.0° | 180.0° |
| C18 | C19 | C21 | H36 | 60.0° | 60.0° |
| C18 | C19 | C21 | H37 | 60.0° | 60.0° |
| C20 | C18 | C19 | C21 | 148.5° | 175.0° |
| C20 | C18 | C19 | H30 | 27.9° | 55.0° |
| C20 | C18 | C19 | H31 | 90.9° | 65.1° |
| C18 | C20 | H32 | H33 | 120.0° | 120.0° |
| C18 | C20 | H32 | H34 | 120.0° | 120.0° |
| C18 | C20 | H33 | H34 | 120.0° | 120.0° |
| H29 | C18 | C19 | C21 | 31.6° | 55.1° |
| H29 | C18 | C19 | H30 | 89.0° | 64.9° |
| H29 | C18 | C19 | H31 | 152.2° | 175.0° |
| H29 | C18 | C20 | H32 | 55.7° | NaN° |
| H29 | C18 | C20 | H33 | 64.3° | 60.0° |
| H29 | C18 | C20 | H34 | 175.7° | 60.0° |
| C21 | C19 | H30 | H31 | 118.1° | 119.9° |
| C19 | C21 | H35 | H36 | 120.0° | 120.1° |
| C19 | C21 | H35 | H37 | 120.0° | 120.0° |
| C19 | C21 | H36 | H37 | 120.0° | 120.0° |
| H30 | C19 | C21 | H35 | 59.4° | 59.9° |
| H30 | C19 | C21 | H36 | 179.4° | 180.0° |
| H30 | C19 | C21 | H37 | 60.6° | 60.0° |
| H31 | C19 | C21 | H35 | 59.4° | 60.0° |
| H31 | C19 | C21 | H36 | 60.6° | 60.0° |
| H31 | C19 | C21 | H37 | 179.4° | 180.0° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| H35 | C21 | H36 | H37 | 119.9° | 119.9° |
| C22 | N8 | H38 | C17 | 180.0° | 179.8° |
| N8 | C22 | C23 | C24 | 126.8° | 119.7° |
| N8 | C22 | C23 | H39 | 117.2° | 119.7° |
| N8 | C22 | C24 | H39 | 119.9° | 120.3° |
| N8 | C22 | C23 | O6 | 177.4° | 33.4° |
| N8 | C22 | C24 | C25 | 54.0° | 176.8° |
| N8 | C22 | C24 | H40 | 174.4° | 56.7° |
| N8 | C22 | C24 | H41 | 66.5° | 63.3° |
| N8 | C22 | C23 | N9 | 3.4° | 146.6° |
| H38 | N8 | C22 | C23 | 81.1° | 50.7° |
| H38 | N8 | C22 | C24 | 42.6° | 170.4° |
| H38 | N8 | C22 | H39 | 161.9° | 69.1° |
| C23 | C22 | C24 | H39 | 116.5° | 120.5° |
| C22 | C23 | O6 | N9 | 179.1° | 180.0° |
| C23 | C22 | C24 | C25 | 69.7° | 64.1° |
| C23 | C22 | C24 | H40 | 50.8° | 175.9° |
| C23 | C22 | C24 | H41 | 169.9° | 55.9° |
| C22 | C23 | N9 | C26 | 173.1° | 179.9° |
| C22 | C23 | N9 | H43 | 6.9° | 0.1° |
| C23 | C22 | N8 | C17 | 98.9° | 129.2° |
| C24 | C22 | C23 | O6 | 55.8° | 153.1° |
| C22 | C24 | C25 | H40 | 120.5° | 120.0° |
| C22 | C24 | C25 | H41 | 120.5° | 120.0° |
| C22 | C24 | H40 | H41 | 118.5° | 120.0° |
| C22 | C24 | C25 | O7 | 171.8° | 8.9° |
| C22 | C24 | C25 | O8 | 10.6° | 171.0° |
| C24 | C22 | N8 | C17 | 137.4° | 9.4° |
| C24 | C22 | C23 | N9 | 123.4° | 26.9° |
| H39 | C22 | C23 | O6 | 60.2° | 86.3° |
| H39 | C22 | C24 | C25 | 173.9° | 56.4° |
| H39 | C22 | C24 | H40 | 65.7° | 63.6° |
| H39 | C22 | C24 | H41 | 53.4° | 176.4° |
| H39 | C22 | N8 | C17 | 18.1° | 111.1° |
| H39 | C22 | C23 | N9 | 120.7° | 93.7° |
| O6 | C23 | N9 | C26 | 7.8° | 0.1° |
| O6 | C23 | N9 | H43 | 172.2° | 179.9° |
| C25 | C24 | H40 | H41 | 118.5° | 120.0° |
| C24 | C25 | O7 | O8 | 177.5° | 180.0° |
| C24 | C25 | O8 | H42 | 177.5° | 180.0° |
| H40 | C24 | C25 | O7 | 51.3° | 111.1° |
| H40 | C24 | C25 | O8 | 131.1° | 68.9° |
| H41 | C24 | C25 | O7 | 67.7° | 128.9° |
| H41 | C24 | C25 | O8 | 109.8° | 51.1° |
| O7 | C25 | O8 | H42 | 0.0° | 0.0° |
| C26 | N9 | H43 | C23 | 180.0° | 180.0° |
| N9 | C26 | C27 | C28 | 122.7° | 119.8° |
| N9 | C26 | C27 | H44 | 117.7° | 119.8° |
| N9 | C26 | C28 | H44 | 120.6° | 120.3° |
| N9 | C26 | C27 | O9 | 86.4° | 30.0° |
| N9 | C26 | C28 | C29 | 159.2° | 65.0° |
| N9 | C26 | C28 | H45 | 38.6° | 55.0° |
| N9 | C26 | C28 | H46 | 80.2° | 175.0° |
| N9 | C26 | C27 | N11 | 91.2° | 150.1° |
| H43 | N9 | C26 | C27 | 27.9° | 48.0° |
| H43 | N9 | C26 | C28 | 95.0° | 71.8° |
| H43 | N9 | C26 | H44 | 145.0° | 167.8° |
| C27 | C26 | C28 | H44 | 119.6° | 120.3° |
| C26 | C27 | O9 | N11 | 177.4° | 179.9° |
| C27 | C26 | C28 | C29 | 80.9° | 175.6° |
| C27 | C26 | C28 | H45 | 158.5° | 64.4° |
| C27 | C26 | C28 | H46 | 39.7° | 55.6° |
| C26 | C27 | N11 | C30 | 167.7° | 179.9° |
| C26 | C27 | N11 | H49 | 12.3° | 0.1° |
| C27 | C26 | N9 | C23 | 152.1° | 132.0° |
| C28 | C26 | C27 | O9 | 36.3° | 89.8° |
| C26 | C28 | C29 | H45 | 120.6° | 120.0° |
| C26 | C28 | C29 | H46 | 120.6° | 120.0° |
| C26 | C28 | H45 | H46 | 118.1° | 120.0° |
| C26 | C28 | C29 | O10 | 20.4° | 0.0° |
| C26 | C28 | C29 | N10 | 160.3° | 180.0° |
| C28 | C26 | N9 | C23 | 85.0° | 108.2° |
| C28 | C26 | C27 | N11 | 146.1° | 90.1° |
| H44 | C26 | C27 | O9 | 155.9° | 149.8° |
| H44 | C26 | C28 | C29 | 38.7° | 55.3° |
| H44 | C26 | C28 | H45 | 81.9° | 175.4° |
| H44 | C26 | C28 | H46 | 159.3° | 64.6° |
| H44 | C26 | N9 | C23 | 35.0° | 12.2° |
| H44 | C26 | C27 | N11 | 26.5° | 30.3° |
| O9 | C27 | N11 | C30 | 9.9° | 0.0° |
| O9 | C27 | N11 | H49 | 170.1° | 180.0° |
| C29 | C28 | H45 | H46 | 118.1° | 120.0° |
| C28 | C29 | O10 | N10 | 179.3° | 180.0° |
| C28 | C29 | N10 | H47 | 179.3° | 0.0° |
| C28 | C29 | N10 | H48 | 0.7° | 180.0° |
| H45 | C28 | C29 | O10 | 141.0° | 120.0° |
| H45 | C28 | C29 | N10 | 39.7° | 60.0° |
| H46 | C28 | C29 | O10 | 100.2° | 120.0° |
| H46 | C28 | C29 | N10 | 79.1° | 60.0° |
| O10 | C29 | N10 | H47 | 0.0° | 180.0° |
| O10 | C29 | N10 | H48 | 180.0° | 0.0° |
| C29 | N10 | H47 | H48 | 180.0° | 179.9° |
| C30 | N11 | H49 | C27 | 180.0° | 180.0° |
| N11 | C30 | C31 | C32 | 121.9° | 119.8° |
| N11 | C30 | C31 | H50 | 118.5° | 119.7° |
| N11 | C30 | C32 | H50 | 119.3° | 120.4° |
| N11 | C30 | C31 | O11 | 148.2° | 32.6° |
| N11 | C30 | C32 | C33 | 82.8° | 80.4° |
| N11 | C30 | C32 | H51 | 38.6° | 39.7° |
| N11 | C30 | C32 | H52 | 155.8° | 159.7° |
| N11 | C30 | C31 | N12 | 29.3° | 147.3° |
| H49 | N11 | C30 | C31 | 109.7° | 51.7° |
| H49 | N11 | C30 | C32 | 13.6° | 171.5° |
| H49 | N11 | C30 | H50 | 132.3° | 68.1° |
| C31 | C30 | C32 | H50 | 119.7° | 120.4° |
| C30 | C31 | O11 | N12 | 177.2° | 179.9° |
| C31 | C30 | C32 | C33 | 156.2° | 160.5° |
| C31 | C30 | C32 | H51 | 82.4° | 79.5° |
| C31 | C30 | C32 | H52 | 34.8° | 40.5° |
| C30 | C31 | N12 | C36 | 177.4° | 180.0° |
| C30 | C31 | N12 | H60 | 2.6° | 0.0° |
| C31 | C30 | N11 | C27 | 70.3° | 128.3° |
| C32 | C30 | C31 | O11 | 89.9° | 152.4° |
| C30 | C32 | C33 | H51 | 121.4° | 120.1° |
| C30 | C32 | C33 | H52 | 121.4° | 120.0° |
| C30 | C32 | H51 | H52 | 115.7° | 120.0° |
| C30 | C32 | C33 | C34 | 171.0° | 172.6° |
| C30 | C32 | C33 | C35 | 47.6° | 67.5° |
| C30 | C32 | C33 | H53 | 70.9° | 52.5° |
| C32 | C30 | N11 | C27 | 166.4° | 8.6° |
| C32 | C30 | C31 | N12 | 92.6° | 27.5° |
| H50 | C30 | C31 | O11 | 29.7° | 87.1° |
| H50 | C30 | C32 | C33 | 36.5° | 40.1° |
| H50 | C30 | C32 | H51 | 157.9° | 160.1° |
| H50 | C30 | C32 | H52 | 84.9° | 79.9° |
| H50 | C30 | N11 | C27 | 47.6° | 111.9° |
| H50 | C30 | C31 | N12 | 147.8° | 93.0° |
| O11 | C31 | N12 | C36 | 0.0° | 0.1° |
| O11 | C31 | N12 | H60 | 180.0° | 180.0° |
| C33 | C32 | H51 | H52 | 115.7° | 120.0° |
| C32 | C33 | C34 | C35 | 125.6° | 119.9° |
| C32 | C33 | C34 | H53 | 118.0° | 120.1° |
| C32 | C33 | C35 | H53 | 118.5° | 120.0° |
| C32 | C33 | C34 | H54 | 180.0° | 59.9° |
| C32 | C33 | C34 | H55 | 60.0° | 180.0° |
| C32 | C33 | C34 | H56 | 60.0° | 60.0° |
| C32 | C33 | C35 | H57 | 180.0° | 60.0° |
| C32 | C33 | C35 | H58 | 60.0° | 60.0° |
| C32 | C33 | C35 | H59 | 60.0° | 179.9° |
| H51 | C32 | C33 | C34 | 67.6° | 52.5° |
| H51 | C32 | C33 | C35 | 169.0° | 172.5° |
| H51 | C32 | C33 | H53 | 50.5° | 67.5° |
| H52 | C32 | C33 | C34 | 49.6° | 67.4° |
| H52 | C32 | C33 | C35 | 73.8° | 52.5° |
| H52 | C32 | C33 | H53 | 167.7° | 172.5° |
| C34 | C33 | C35 | H53 | 116.4° | 120.0° |
| C33 | C34 | H54 | H55 | 120.0° | 120.0° |
| C33 | C34 | H54 | H56 | 120.0° | 120.0° |
| C33 | C34 | H55 | H56 | 120.0° | 119.9° |
| C34 | C33 | C35 | H57 | 54.8° | 60.0° |
| C34 | C33 | C35 | H58 | 65.2° | 180.0° |
| C34 | C33 | C35 | H59 | 174.8° | 60.1° |
| C35 | C33 | C34 | H54 | 54.4° | 60.0° |
| C35 | C33 | C34 | H55 | 174.5° | 60.1° |
| C35 | C33 | C34 | H56 | 65.6° | 180.0° |
| C33 | C35 | H57 | H58 | 120.0° | 120.0° |
| C33 | C35 | H57 | H59 | 120.0° | 120.1° |
| C33 | C35 | H58 | H59 | 120.0° | 120.0° |
| H53 | C33 | C34 | H54 | 61.9° | 180.0° |
| H53 | C33 | C34 | H55 | 58.1° | 59.9° |
| H53 | C33 | C34 | H56 | 178.0° | 60.0° |
| H53 | C33 | C35 | H57 | 61.6° | 180.0° |
| H53 | C33 | C35 | H58 | 178.5° | 60.0° |
| H53 | C33 | C35 | H59 | 58.4° | 59.9° |
| H54 | C34 | H55 | H56 | 120.0° | 120.0° |
| H57 | C35 | H58 | H59 | 120.0° | 120.0° |
| C36 | N12 | H60 | C31 | 180.0° | 179.9° |
| N12 | C36 | C37 | C38 | 123.9° | 119.7° |
| N12 | C36 | C37 | H61 | 119.5° | 120.0° |
| N12 | C36 | C38 | H61 | 118.1° | 120.3° |
| N12 | C36 | C37 | O12 | 137.4° | 32.0° |
| N12 | C36 | C38 | C39 | 82.9° | 65.1° |
| N12 | C36 | C38 | H62 | 37.7° | 55.0° |
| N12 | C36 | C38 | H63 | 156.6° | 174.9° |
| N12 | C36 | C37 | N1 | 42.8° | 147.8° |
| H60 | N12 | C36 | C37 | 122.1° | 48.2° |
| H60 | N12 | C36 | C38 | 1.1° | 71.4° |
| H60 | N12 | C36 | H61 | 118.7° | 168.2° |
| C37 | C36 | C38 | H61 | 116.8° | 120.3° |
| C36 | C37 | O12 | N1 | 179.9° | 179.8° |
| C37 | C36 | C38 | C39 | 152.0° | 175.6° |
| C37 | C36 | C38 | H62 | 87.4° | 64.4° |
| C37 | C36 | C38 | H63 | 31.5° | 55.6° |
| C37 | C36 | N12 | C31 | 57.9° | 131.9° |
| C38 | C36 | C37 | O12 | 98.7° | 87.7° |
| C36 | C38 | C39 | H62 | 120.5° | 120.0° |
| C36 | C38 | C39 | H63 | 120.5° | 120.0° |
| C36 | C38 | H62 | H63 | 118.4° | 120.0° |
| C36 | C38 | C39 | O13 | 14.2° | 0.0° |
| C36 | C38 | C39 | O14 | 165.7° | 180.0° |
| C38 | C36 | C37 | N1 | 81.2° | 92.5° |
| C38 | C36 | N12 | C31 | 178.9° | 108.6° |
| H61 | C36 | C37 | O12 | 17.9° | 152.0° |
| H61 | C36 | C38 | C39 | 35.3° | 55.3° |
| H61 | C36 | C38 | H62 | 155.8° | 175.3° |
| H61 | C36 | C38 | H63 | 85.2° | 64.7° |
| H61 | C36 | C37 | N1 | 162.2° | 27.8° |
| H61 | C36 | N12 | C31 | 61.3° | 11.8° |
| C39 | C38 | H62 | H63 | 118.4° | 119.9° |
| C38 | C39 | O13 | O14 | 179.9° | 180.0° |
| C38 | C39 | O14 | H64 | 180.0° | 180.0° |
| H62 | C38 | C39 | O13 | 134.7° | 120.0° |
| H62 | C38 | C39 | O14 | 45.2° | 60.0° |
| H63 | C38 | C39 | O13 | 106.3° | 120.1° |
| H63 | C38 | C39 | O14 | 73.8° | 60.0° |
| O13 | C39 | O14 | H64 | 0.0° | 0.0° |
