PRD_000290
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.50Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.26Å | |
| C5 | O3 | sing | 1.34Å | 1.25Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C6 | sing | 1.46Å | 1.45Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.56Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.47Å | 1.45Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | O5 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O6 | doub | 1.21Å | 1.23Å | |
| C14 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | C19 | sing | 1.46Å | 1.45Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | sing | 1.43Å | 1.44Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.51Å | 1.54Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | O8 | doub | 1.21Å | 1.24Å | |
| N6 | C25 | sing | 1.47Å | 1.47Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | O9 | doub | 1.21Å | 1.27Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| N7 | C28 | sing | 1.47Å | 1.50Å | |
| N7 | H48 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.22Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | O11 | doub | 1.21Å | 1.25Å | |
| C32 | O12 | sing | 1.34Å | 1.26Å | |
| O12 | H54 | sing | 0.97Å | 0.95Å | |
| N8 | C33 | sing | 1.47Å | 1.49Å | |
| N8 | H55 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.50Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | O13 | doub | 1.21Å | 1.26Å | |
| C34 | O14 | sing | 1.34Å | 1.27Å | |
| C35 | C36 | sing | 1.51Å | 1.46Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | H59 | sing | 1.08Å | 1.08Å | |
| C38 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | H60 | sing | 1.08Å | 1.08Å | |
| C39 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | H61 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | H62 | sing | 1.08Å | 1.08Å | |
| C41 | H63 | sing | 1.08Å | 1.08Å | |
| O14 | H64 | sing | 0.97Å | 0.95Å | |
| C12 | N5 | sing | 1.35Å | 1.33Å | |
| C24 | N6 | sing | 1.35Å | 1.34Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C7 | N3 | sing | 1.35Å | 1.33Å | |
| C26 | N7 | sing | 1.35Å | 1.39Å | |
| C29 | N8 | sing | 1.35Å | 1.39Å |
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 | 110.7° | 109.4° |
| N1 | C1 | C3 | 110.5° | 109.4° |
| N1 | C1 | H3 | 109.4° | 109.4° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 108.3° | 109.5° |
| C2 | C1 | H3 | 108.9° | 109.5° |
| C1 | C2 | O1 | 120.5° | 120.0° |
| C1 | C2 | N2 | 117.4° | 120.0° |
| C3 | C1 | H3 | 109.0° | 109.5° |
| C1 | C3 | C4 | 113.5° | 109.5° |
| C1 | C3 | H4 | 108.4° | 109.6° |
| C1 | C3 | H5 | 108.4° | 109.5° |
| O1 | C2 | N2 | 122.0° | 120.0° |
| C4 | C3 | H4 | 108.5° | 109.4° |
| C4 | C3 | H5 | 108.5° | 109.4° |
| C3 | C4 | C5 | 113.5° | 109.5° |
| C3 | C4 | H6 | 108.5° | 109.4° |
| C3 | C4 | H7 | 108.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C5 | C4 | H6 | 108.5° | 109.5° |
| C5 | C4 | H7 | 108.4° | 109.5° |
| C4 | C5 | O2 | 118.1° | 120.0° |
| C4 | C5 | O3 | 119.1° | 120.0° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| O2 | C5 | O3 | 122.8° | 120.0° |
| C5 | O3 | H8 | 109.5° | 117.0° |
| C6 | N2 | H9 | 119.7° | 120.0° |
| N2 | C6 | C7 | 107.2° | 109.5° |
| N2 | C6 | C8 | 114.1° | 109.5° |
| N2 | C6 | H10 | 109.6° | 109.5° |
| C6 | N2 | C2 | 120.6° | 120.1° |
| H9 | N2 | C2 | 119.7° | 119.9° |
| C7 | C6 | C8 | 109.1° | 109.5° |
| C7 | C6 | H10 | 108.8° | 109.4° |
| C6 | C7 | O4 | 121.5° | 120.0° |
| C6 | C7 | N3 | 115.1° | 120.0° |
| C8 | C6 | H10 | 108.1° | 109.4° |
| C6 | C8 | C9 | 109.7° | 109.4° |
| C6 | C8 | C10 | 111.0° | 109.4° |
| C6 | C8 | H11 | 108.1° | 109.5° |
| O4 | C7 | N3 | 123.3° | 120.0° |
| C9 | C8 | C10 | 111.5° | 109.5° |
| C9 | C8 | H11 | 108.2° | 109.5° |
| C8 | C9 | H12 | 109.5° | 109.4° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C10 | C8 | H11 | 108.3° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.4° |
| C8 | C10 | H17 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.4° | 109.5° |
| H12 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| C11 | N3 | H18 | 118.8° | 120.0° |
| N3 | C11 | C12 | 105.8° | 109.5° |
| N3 | C11 | C13 | 110.3° | 109.5° |
| N3 | C11 | H19 | 110.6° | 109.4° |
| C11 | N3 | C7 | 122.5° | 120.0° |
| H18 | N3 | C7 | 118.7° | 120.0° |
| C12 | C11 | C13 | 110.8° | 109.5° |
| C12 | C11 | H19 | 109.7° | 109.5° |
| C11 | C12 | O5 | 121.3° | 120.0° |
| C11 | C12 | N5 | 115.3° | 120.0° |
| C13 | C11 | H19 | 109.6° | 109.5° |
| C11 | C13 | C14 | 112.0° | 109.5° |
| C11 | C13 | H20 | 108.8° | 109.5° |
| C11 | C13 | H21 | 108.8° | 109.4° |
| O5 | C12 | N5 | 123.4° | 120.0° |
| C14 | C13 | H20 | 108.8° | 109.5° |
| C14 | C13 | H21 | 108.8° | 109.5° |
| C13 | C14 | O6 | 120.1° | 120.1° |
| C13 | C14 | N4 | 116.9° | 120.0° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| O6 | C14 | N4 | 123.1° | 120.0° |
| C14 | N4 | H22 | 120.0° | 119.9° |
| C14 | N4 | H23 | 120.0° | 120.0° |
| H22 | N4 | H23 | 120.0° | 120.1° |
| C17 | C15 | H24 | 109.5° | 109.4° |
| C17 | C15 | H25 | 109.4° | 109.5° |
| C17 | C15 | H26 | 109.5° | 109.5° |
| C15 | C17 | C16 | 110.7° | 109.5° |
| C15 | C17 | C18 | 108.6° | 109.5° |
| C15 | C17 | H30 | 108.8° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H26 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| C17 | C16 | H27 | 109.5° | 109.5° |
| C17 | C16 | H28 | 109.4° | 109.5° |
| C17 | C16 | H29 | 109.5° | 109.5° |
| C16 | C17 | C18 | 111.4° | 109.5° |
| C16 | C17 | H30 | 108.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H29 | 109.4° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| C18 | C17 | H30 | 108.7° | 109.5° |
| C17 | C18 | C19 | 111.1° | 109.5° |
| C17 | C18 | H31 | 109.1° | 109.5° |
| C17 | C18 | H32 | 109.0° | 109.5° |
| C19 | C18 | H31 | 109.1° | 109.5° |
| C19 | C18 | H32 | 109.1° | 109.5° |
| C18 | C19 | N5 | 108.1° | 109.5° |
| C18 | C19 | C20 | 111.3° | 109.4° |
| C18 | C19 | H34 | 107.9° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C19 | N5 | H33 | 118.8° | 120.1° |
| N5 | C19 | C20 | 112.7° | 109.5° |
| N5 | C19 | H34 | 108.9° | 109.6° |
| C19 | N5 | C12 | 122.4° | 120.0° |
| H33 | N5 | C12 | 118.8° | 120.0° |
| C20 | C19 | H34 | 107.8° | 109.4° |
| C19 | C20 | O7 | 110.5° | 109.5° |
| C19 | C20 | H35 | 107.9° | 109.5° |
| C19 | C20 | C21 | 111.5° | 109.4° |
| O7 | C20 | H35 | 109.2° | 109.5° |
| O7 | C20 | C21 | 109.8° | 109.5° |
| C20 | O7 | H36 | 109.5° | 114.0° |
| H35 | C20 | C21 | 107.9° | 109.5° |
| C20 | C21 | C22 | 115.4° | 109.5° |
| C20 | C21 | H37 | 108.0° | 109.5° |
| C20 | C21 | H38 | 108.0° | 109.4° |
| C22 | C21 | H37 | 108.0° | 109.5° |
| C22 | C21 | H38 | 108.0° | 109.5° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C21 | C22 | C24 | 109.1° | 109.5° |
| C21 | C22 | H39 | 109.2° | 109.5° |
| H37 | C21 | H38 | 109.4° | 109.5° |
| C23 | C22 | C24 | 109.7° | 109.5° |
| C23 | C22 | H39 | 109.2° | 109.5° |
| C22 | C23 | H40 | 109.5° | 109.4° |
| C22 | C23 | H41 | 109.5° | 109.5° |
| C22 | C23 | H42 | 109.4° | 109.5° |
| C24 | C22 | H39 | 109.1° | 109.5° |
| C22 | C24 | O8 | 119.4° | 120.0° |
| C22 | C24 | N6 | 116.4° | 120.0° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H40 | C23 | H42 | 109.5° | 109.4° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| O8 | C24 | N6 | 124.2° | 120.0° |
| C25 | N6 | H43 | 118.4° | 120.0° |
| N6 | C25 | C26 | 103.2° | 109.5° |
| N6 | C25 | C27 | 111.1° | 109.5° |
| N6 | C25 | H44 | 110.6° | 109.4° |
| C25 | N6 | C24 | 123.2° | 120.0° |
| H43 | N6 | C24 | 118.4° | 120.0° |
| C26 | C25 | C27 | 112.0° | 109.5° |
| C26 | C25 | H44 | 109.8° | 109.5° |
| C25 | C26 | O9 | 121.8° | 120.0° |
| C25 | C26 | N7 | 114.3° | 120.0° |
| C27 | C25 | H44 | 109.9° | 109.5° |
| C25 | C27 | H45 | 109.5° | 109.5° |
| C25 | C27 | H46 | 109.5° | 109.5° |
| C25 | C27 | H47 | 109.5° | 109.5° |
| O9 | C26 | N7 | 123.6° | 120.0° |
| H45 | C27 | H46 | 109.5° | 109.4° |
| H45 | C27 | H47 | 109.5° | 109.4° |
| H46 | C27 | H47 | 109.5° | 109.5° |
| C28 | N7 | H48 | 116.5° | 120.0° |
| N7 | C28 | C29 | 126.0° | 109.4° |
| N7 | C28 | C30 | 109.9° | 109.5° |
| N7 | C28 | H49 | 101.4° | 109.5° |
| C28 | N7 | C26 | 126.9° | 120.0° |
| H48 | N7 | C26 | 116.5° | 120.0° |
| C29 | C28 | C30 | 112.6° | 109.5° |
| C29 | C28 | H49 | 101.3° | 109.4° |
| C28 | C29 | O10 | 130.0° | 120.0° |
| C28 | C29 | N8 | 96.3° | 120.0° |
| C30 | C28 | H49 | 101.2° | 109.5° |
| C28 | C30 | C31 | 110.1° | 109.5° |
| C28 | C30 | H50 | 109.3° | 109.5° |
| C28 | C30 | H51 | 109.3° | 109.4° |
| O10 | C29 | N8 | 133.6° | 120.0° |
| C31 | C30 | H50 | 109.3° | 109.5° |
| C31 | C30 | H51 | 109.3° | 109.5° |
| C30 | C31 | C32 | 114.6° | 109.5° |
| C30 | C31 | H52 | 108.2° | 109.5° |
| C30 | C31 | H53 | 108.1° | 109.5° |
| H50 | C30 | H51 | 109.4° | 109.5° |
| C32 | C31 | H52 | 108.2° | 109.5° |
| C32 | C31 | H53 | 108.2° | 109.5° |
| C31 | C32 | O11 | 118.3° | 120.0° |
| C31 | C32 | O12 | 118.5° | 120.0° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| O11 | C32 | O12 | 123.2° | 120.0° |
| C32 | O12 | H54 | 109.5° | 117.0° |
| C33 | N8 | H55 | 105.6° | 120.0° |
| N8 | C33 | C34 | 114.3° | 109.5° |
| N8 | C33 | C35 | 110.6° | 109.4° |
| N8 | C33 | H56 | 106.3° | 109.4° |
| C33 | N8 | C29 | 148.7° | 120.0° |
| H55 | N8 | C29 | 105.6° | 120.0° |
| C34 | C33 | C35 | 113.2° | 109.5° |
| C34 | C33 | H56 | 105.7° | 109.5° |
| C33 | C34 | O13 | 124.6° | 120.1° |
| C33 | C34 | O14 | 120.6° | 120.0° |
| C35 | C33 | H56 | 106.1° | 109.5° |
| C33 | C35 | C36 | 106.5° | 109.5° |
| C33 | C35 | H57 | 110.2° | 109.5° |
| C33 | C35 | H58 | 110.2° | 109.4° |
| O13 | C34 | O14 | 114.5° | 120.0° |
| C34 | O14 | H64 | 109.5° | 117.0° |
| C36 | C35 | H57 | 110.2° | 109.4° |
| C36 | C35 | H58 | 110.2° | 109.5° |
| C35 | C36 | C37 | 118.3° | 120.0° |
| C35 | C36 | C38 | 121.7° | 120.0° |
| H57 | C35 | H58 | 109.5° | 109.5° |
| C37 | C36 | C38 | 120.0° | 120.0° |
| C36 | C37 | C39 | 120.5° | 120.0° |
| C36 | C37 | H59 | 119.8° | 119.9° |
| C36 | C38 | C40 | 120.3° | 120.0° |
| C36 | C38 | H60 | 119.8° | 120.0° |
| C39 | C37 | H59 | 119.7° | 120.0° |
| C37 | C39 | C41 | 118.7° | 120.0° |
| C37 | C39 | H61 | 120.6° | 120.0° |
| C40 | C38 | H60 | 119.9° | 120.0° |
| C38 | C40 | C41 | 119.3° | 120.0° |
| C38 | C40 | H62 | 120.4° | 120.0° |
| C41 | C39 | H61 | 120.7° | 120.0° |
| C39 | C41 | C40 | 121.2° | 120.0° |
| C39 | C41 | H63 | 119.4° | 120.0° |
| C41 | C40 | H62 | 120.3° | 120.0° |
| C40 | C41 | H63 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C1 | C2 | C3 | 121.3° | 120.0° |
| N1 | C1 | C2 | H3 | 120.3° | 120.0° |
| N1 | C1 | C3 | H3 | 120.3° | 120.0° |
| N1 | C1 | C2 | O1 | 36.3° | 20.0° |
| N1 | C1 | C3 | C4 | 168.5° | 65.0° |
| N1 | C1 | C3 | H4 | 47.8° | 55.0° |
| N1 | C1 | C3 | H5 | 71.0° | 175.0° |
| N1 | C1 | C2 | N2 | 142.0° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C3 | 60.0° | 59.9° |
| H1 | N1 | C1 | H3 | 60.0° | 180.0° |
| H2 | N1 | C1 | C2 | 60.0° | 176.0° |
| H2 | N1 | C1 | C3 | 180.0° | 64.0° |
| H2 | N1 | C1 | H3 | 60.0° | 56.0° |
| C2 | C1 | C3 | H3 | 118.3° | 120.1° |
| C1 | C2 | O1 | N2 | 178.2° | 180.0° |
| C2 | C1 | C3 | C4 | 70.1° | 175.0° |
| C2 | C1 | C3 | H4 | 169.2° | 64.9° |
| C2 | C1 | C3 | H5 | 50.4° | 55.1° |
| C1 | C2 | N2 | C6 | 176.4° | 180.0° |
| C1 | C2 | N2 | H9 | 3.6° | 0.0° |
| C3 | C1 | C2 | O1 | 85.0° | 99.9° |
| C1 | C3 | C4 | H4 | 120.6° | 120.1° |
| C1 | C3 | C4 | H5 | 120.6° | 120.0° |
| C1 | C3 | H4 | H5 | 118.1° | 120.0° |
| C1 | C3 | C4 | C5 | 177.8° | 179.9° |
| C1 | C3 | C4 | H6 | 57.2° | 59.9° |
| C1 | C3 | C4 | H7 | 61.6° | 60.0° |
| C3 | C1 | C2 | N2 | 96.7° | 80.1° |
| H3 | C1 | C2 | O1 | 156.7° | 140.0° |
| H3 | C1 | C3 | C4 | 48.2° | 55.0° |
| H3 | C1 | C3 | H4 | 72.5° | 175.0° |
| H3 | C1 | C3 | H5 | 168.7° | 65.0° |
| H3 | C1 | C2 | N2 | 21.7° | 40.0° |
| O1 | C2 | N2 | C6 | 5.3° | 0.0° |
| O1 | C2 | N2 | H9 | 174.6° | 180.0° |
| C4 | C3 | H4 | H5 | 118.2° | 119.9° |
| C3 | C4 | C5 | H6 | 120.6° | 120.0° |
| C3 | C4 | C5 | H7 | 120.6° | 120.0° |
| C3 | C4 | H6 | H7 | 118.2° | 119.9° |
| C3 | C4 | C5 | O2 | 18.7° | 0.0° |
| C3 | C4 | C5 | O3 | 162.1° | 180.0° |
| H4 | C3 | C4 | C5 | 61.6° | 60.0° |
| H4 | C3 | C4 | H6 | 177.8° | 180.0° |
| H4 | C3 | C4 | H7 | 59.0° | 60.1° |
| H5 | C3 | C4 | C5 | 57.2° | 60.0° |
| H5 | C3 | C4 | H6 | 63.4° | 60.0° |
| H5 | C3 | C4 | H7 | 177.8° | 180.0° |
| C5 | C4 | H6 | H7 | 118.1° | 120.0° |
| C4 | C5 | O2 | O3 | 179.2° | 179.9° |
| C4 | C5 | O3 | H8 | 179.2° | 180.0° |
| H6 | C4 | C5 | O2 | 139.3° | 120.0° |
| H6 | C4 | C5 | O3 | 41.4° | 60.1° |
| H7 | C4 | C5 | O2 | 101.9° | 120.0° |
| H7 | C4 | C5 | O3 | 77.3° | 59.9° |
| O2 | C5 | O3 | H8 | 0.0° | 0.0° |
| C6 | N2 | H9 | C2 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 124.0° | 120.0° |
| N2 | C6 | C7 | H10 | 118.4° | 120.0° |
| N2 | C6 | C8 | H10 | 122.1° | 120.0° |
| N2 | C6 | C7 | O4 | 30.1° | 0.1° |
| N2 | C6 | C8 | C9 | 84.5° | 59.9° |
| N2 | C6 | C8 | C10 | 39.2° | 60.0° |
| N2 | C6 | C8 | H11 | 157.8° | 180.0° |
| N2 | C6 | C7 | N3 | 146.5° | 180.0° |
| H9 | N2 | C6 | C7 | 56.6° | 25.0° |
| H9 | N2 | C6 | C8 | 64.3° | 95.0° |
| H9 | N2 | C6 | H10 | 174.4° | 145.0° |
| C7 | C6 | C8 | H10 | 118.1° | 120.0° |
| C6 | C7 | O4 | N3 | 176.3° | 179.9° |
| C7 | C6 | C8 | C9 | 155.7° | 180.0° |
| C7 | C6 | C8 | C10 | 80.5° | 60.0° |
| C7 | C6 | C8 | H11 | 38.0° | 59.9° |
| C6 | C7 | N3 | C11 | 177.7° | 175.2° |
| C6 | C7 | N3 | H18 | 2.3° | 4.7° |
| C7 | C6 | N2 | C2 | 123.4° | 154.9° |
| C8 | C6 | C7 | O4 | 93.9° | 120.0° |
| C6 | C8 | C9 | C10 | 123.4° | 119.9° |
| C6 | C8 | C9 | H11 | 117.6° | 120.0° |
| C6 | C8 | C10 | H11 | 118.4° | 120.0° |
| C6 | C8 | C9 | H12 | 180.0° | 180.0° |
| C6 | C8 | C9 | H13 | 60.0° | 60.1° |
| C6 | C8 | C9 | H14 | 60.0° | 60.0° |
| C6 | C8 | C10 | H15 | 180.0° | 60.0° |
| C6 | C8 | C10 | H16 | 60.0° | 180.0° |
| C6 | C8 | C10 | H17 | 60.0° | 60.0° |
| C8 | C6 | N2 | C2 | 115.7° | 85.0° |
| C8 | C6 | C7 | N3 | 89.5° | 59.9° |
| H10 | C6 | C7 | O4 | 148.5° | 120.0° |
| H10 | C6 | C8 | C9 | 37.7° | 60.0° |
| H10 | C6 | C8 | C10 | 161.4° | 180.0° |
| H10 | C6 | C8 | H11 | 80.1° | 60.0° |
| H10 | C6 | N2 | C2 | 5.6° | 35.0° |
| H10 | C6 | C7 | N3 | 28.1° | 60.0° |
| O4 | C7 | N3 | C11 | 5.8° | 4.7° |
| O4 | C7 | N3 | H18 | 174.2° | 175.4° |
| C9 | C8 | C10 | H11 | 118.9° | 120.1° |
| C8 | C9 | H12 | H13 | 120.0° | 120.0° |
| C8 | C9 | H12 | H14 | 120.0° | 120.0° |
| C8 | C9 | H13 | H14 | 120.0° | 120.1° |
| C9 | C8 | C10 | H15 | 57.4° | 179.9° |
| C9 | C8 | C10 | H16 | 62.7° | 60.0° |
| C9 | C8 | C10 | H17 | 177.3° | 59.9° |
| C10 | C8 | C9 | H12 | 56.6° | 60.0° |
| C10 | C8 | C9 | H13 | 176.6° | 180.0° |
| C10 | C8 | C9 | H14 | 63.4° | 59.9° |
| C8 | C10 | H15 | H16 | 120.0° | 120.0° |
| C8 | C10 | H15 | H17 | 120.0° | 120.0° |
| C8 | C10 | H16 | H17 | 120.0° | 120.0° |
| H11 | C8 | C9 | H12 | 62.3° | 60.0° |
| H11 | C8 | C9 | H13 | 57.6° | 59.9° |
| H11 | C8 | C9 | H14 | 177.6° | 180.0° |
| H11 | C8 | C10 | H15 | 61.6° | 60.0° |
| H11 | C8 | C10 | H16 | 178.4° | 60.1° |
| H11 | C8 | C10 | H17 | 58.4° | 180.0° |
| H12 | C9 | H13 | H14 | 120.0° | 120.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| C11 | N3 | H18 | C7 | 180.0° | 179.9° |
| N3 | C11 | C12 | C13 | 119.6° | 120.0° |
| N3 | C11 | C12 | H19 | 119.4° | 120.0° |
| N3 | C11 | C13 | H19 | 122.0° | 119.9° |
| N3 | C11 | C12 | O5 | 110.7° | 0.0° |
| N3 | C11 | C13 | C14 | 79.8° | 65.0° |
| N3 | C11 | C13 | H20 | 40.6° | 55.0° |
| N3 | C11 | C13 | H21 | 159.8° | 175.0° |
| N3 | C11 | C12 | N5 | 70.5° | 180.0° |
| H18 | N3 | C11 | C12 | 35.9° | 92.3° |
| H18 | N3 | C11 | C13 | 84.0° | 27.7° |
| H18 | N3 | C11 | H19 | 154.7° | 147.7° |
| C12 | C11 | C13 | H19 | 121.1° | 120.0° |
| C11 | C12 | O5 | N5 | 178.6° | 180.0° |
| C12 | C11 | C13 | C14 | 163.4° | 175.0° |
| C12 | C11 | C13 | H20 | 76.3° | 65.1° |
| C12 | C11 | C13 | H21 | 43.0° | 54.9° |
| C11 | C12 | N5 | C19 | 177.7° | 180.0° |
| C11 | C12 | N5 | H33 | 2.3° | 0.0° |
| C12 | C11 | N3 | C7 | 144.1° | 87.6° |
| C13 | C11 | C12 | O5 | 8.8° | 120.0° |
| C11 | C13 | C14 | H20 | 120.4° | 120.0° |
| C11 | C13 | C14 | H21 | 120.4° | 120.0° |
| C11 | C13 | H20 | H21 | 118.8° | 120.0° |
| C11 | C13 | C14 | O6 | 75.7° | 5.1° |
| C11 | C13 | C14 | N4 | 103.6° | 174.9° |
| C13 | C11 | C12 | N5 | 169.9° | 60.0° |
| C13 | C11 | N3 | C7 | 96.0° | 152.4° |
| H19 | C11 | C12 | O5 | 129.9° | 120.0° |
| H19 | C11 | C13 | C14 | 42.2° | 54.9° |
| H19 | C11 | C13 | H20 | 162.6° | 174.9° |
| H19 | C11 | C13 | H21 | 78.2° | 65.1° |
| H19 | C11 | C12 | N5 | 48.8° | 60.0° |
| H19 | C11 | N3 | C7 | 25.3° | 32.5° |
| O5 | C12 | N5 | C19 | 3.6° | 0.0° |
| O5 | C12 | N5 | H33 | 176.4° | 180.0° |
| C14 | C13 | H20 | H21 | 118.8° | 120.1° |
| C13 | C14 | O6 | N4 | 179.2° | 179.9° |
| C13 | C14 | N4 | H22 | 179.3° | 0.0° |
| C13 | C14 | N4 | H23 | 0.7° | 180.0° |
| H20 | C13 | C14 | O6 | 163.9° | 125.1° |
| H20 | C13 | C14 | N4 | 16.8° | 55.0° |
| H21 | C13 | C14 | O6 | 44.7° | 114.9° |
| H21 | C13 | C14 | N4 | 136.1° | 65.1° |
| O6 | C14 | N4 | H22 | 0.0° | 180.0° |
| O6 | C14 | N4 | H23 | 180.0° | 0.0° |
| C14 | N4 | H22 | H23 | 180.0° | 180.0° |
| C17 | C15 | H24 | H25 | 120.0° | 120.0° |
| C17 | C15 | H24 | H26 | 120.0° | 120.0° |
| C17 | C15 | H25 | H26 | 120.0° | 120.1° |
| C15 | C17 | C16 | C18 | 121.0° | 120.0° |
| C15 | C17 | C16 | H30 | 119.4° | 120.0° |
| C15 | C17 | C16 | H27 | 180.0° | 180.0° |
| C15 | C17 | C16 | H28 | 60.0° | 60.0° |
| C15 | C17 | C16 | H29 | 60.0° | 59.9° |
| C15 | C17 | C18 | H30 | 118.3° | 120.0° |
| C15 | C17 | C18 | C19 | 76.2° | 175.0° |
| C15 | C17 | C18 | H31 | 44.1° | 65.0° |
| C15 | C17 | C18 | H32 | 163.6° | 55.0° |
| H24 | C15 | H25 | H26 | 120.0° | 119.9° |
| H24 | C15 | C17 | C16 | 180.0° | 60.0° |
| H24 | C15 | C17 | C18 | 57.4° | 180.0° |
| H24 | C15 | C17 | H30 | 60.8° | 60.0° |
| H25 | C15 | C17 | C16 | 60.0° | 180.0° |
| H25 | C15 | C17 | C18 | 177.4° | 60.0° |
| H25 | C15 | C17 | H30 | 59.2° | 60.0° |
| H26 | C15 | C17 | C16 | 60.0° | 59.9° |
| H26 | C15 | C17 | C18 | 62.7° | 60.0° |
| H26 | C15 | C17 | H30 | 179.2° | 179.9° |
| C17 | C16 | H27 | H28 | 120.0° | 120.0° |
| C17 | C16 | H27 | H29 | 120.0° | 120.1° |
| C17 | C16 | H28 | H29 | 120.0° | 120.0° |
| C16 | C17 | C18 | H30 | 119.5° | 120.0° |
| C16 | C17 | C18 | C19 | 161.6° | 65.0° |
| C16 | C17 | C18 | H31 | 78.2° | 55.0° |
| C16 | C17 | C18 | H32 | 41.4° | 175.0° |
| H27 | C16 | H28 | H29 | 119.9° | 120.0° |
| H27 | C16 | C17 | C18 | 59.0° | 60.0° |
| H27 | C16 | C17 | H30 | 60.6° | 60.0° |
| H28 | C16 | C17 | C18 | 61.0° | 180.0° |
| H28 | C16 | C17 | H30 | 179.4° | 60.0° |
| H29 | C16 | C17 | C18 | 179.0° | 60.1° |
| H29 | C16 | C17 | H30 | 59.4° | 179.9° |
| C17 | C18 | C19 | H31 | 120.2° | 120.0° |
| C17 | C18 | C19 | H32 | 120.2° | 120.0° |
| C17 | C18 | H31 | H32 | 119.2° | 120.0° |
| C17 | C18 | C19 | N5 | 59.1° | 65.0° |
| C17 | C18 | C19 | C20 | 176.7° | 175.0° |
| C17 | C18 | C19 | H34 | 58.6° | 55.1° |
| H30 | C17 | C18 | C19 | 42.1° | 55.0° |
| H30 | C17 | C18 | H31 | 162.4° | 175.0° |
| H30 | C17 | C18 | H32 | 78.1° | 65.0° |
| C19 | C18 | H31 | H32 | 119.3° | 120.0° |
| C18 | C19 | N5 | C20 | 123.4° | 120.0° |
| C18 | C19 | N5 | H34 | 116.9° | 120.0° |
| C18 | C19 | N5 | H33 | 49.6° | 95.0° |
| C18 | C19 | C20 | H34 | 118.1° | 119.9° |
| C18 | C19 | C20 | O7 | 53.8° | 60.0° |
| C18 | C19 | C20 | H35 | 65.5° | 60.0° |
| C18 | C19 | C20 | C21 | 176.3° | 180.0° |
| C18 | C19 | N5 | C12 | 130.4° | 85.0° |
| H31 | C18 | C19 | N5 | 179.3° | 175.0° |
| H31 | C18 | C19 | C20 | 56.4° | 55.0° |
| H31 | C18 | C19 | H34 | 61.7° | 64.9° |
| H32 | C18 | C19 | N5 | 61.1° | 55.0° |
| H32 | C18 | C19 | C20 | 63.1° | 65.0° |
| H32 | C18 | C19 | H34 | 178.8° | 175.1° |
| C19 | N5 | H33 | C12 | 180.0° | 180.0° |
| N5 | C19 | C20 | H34 | 120.3° | 120.1° |
| N5 | C19 | C20 | O7 | 67.8° | 60.0° |
| N5 | C19 | C20 | H35 | 172.9° | 180.0° |
| N5 | C19 | C20 | C21 | 54.7° | 60.0° |
| H33 | N5 | C19 | C20 | 73.9° | 25.0° |
| H33 | N5 | C19 | H34 | 166.5° | 145.0° |
| C19 | C20 | O7 | H35 | 118.5° | 120.0° |
| C19 | C20 | O7 | C21 | 123.4° | 120.0° |
| C19 | C20 | H35 | C21 | 120.6° | 120.0° |
| C19 | C20 | O7 | H36 | 180.0° | 60.0° |
| C19 | C20 | C21 | C22 | 153.5° | 175.7° |
| C19 | C20 | C21 | H37 | 85.6° | 64.3° |
| C19 | C20 | C21 | H38 | 32.7° | 55.7° |
| C20 | C19 | N5 | C12 | 106.1° | 155.0° |
| H34 | C19 | C20 | O7 | 172.0° | 180.0° |
| H34 | C19 | C20 | H35 | 52.6° | 59.9° |
| H34 | C19 | C20 | C21 | 65.6° | 60.1° |
| H34 | C19 | N5 | C12 | 13.5° | 35.0° |
| O7 | C20 | H35 | C21 | 119.3° | 120.0° |
| O7 | C20 | C21 | C22 | 83.6° | 64.3° |
| O7 | C20 | C21 | H37 | 37.3° | 55.7° |
| O7 | C20 | C21 | H38 | 155.5° | 175.7° |
| H35 | C20 | O7 | H36 | 61.5° | 180.0° |
| H35 | C20 | C21 | C22 | 35.3° | 55.7° |
| H35 | C20 | C21 | H37 | 156.2° | 175.7° |
| H35 | C20 | C21 | H38 | 85.6° | 64.3° |
| C21 | C20 | O7 | H36 | 56.6° | 60.0° |
| C20 | C21 | C22 | H37 | 120.9° | 120.0° |
| C20 | C21 | C22 | H38 | 120.9° | 120.0° |
| C20 | C21 | H37 | H38 | 117.3° | 120.0° |
| C20 | C21 | C22 | C23 | 154.9° | 173.9° |
| C20 | C21 | C22 | C24 | 84.4° | 66.1° |
| C20 | C21 | C22 | H39 | 34.8° | 53.9° |
| C22 | C21 | H37 | H38 | 117.3° | 120.0° |
| C21 | C22 | C23 | C24 | 120.3° | 120.0° |
| C21 | C22 | C23 | H39 | 120.1° | 120.0° |
| C21 | C22 | C24 | H39 | 119.2° | 120.0° |
| C21 | C22 | C23 | H40 | 180.0° | 175.1° |
| C21 | C22 | C23 | H41 | 60.0° | 55.1° |
| C21 | C22 | C23 | H42 | 60.0° | 65.0° |
| C21 | C22 | C24 | O8 | 46.4° | 0.0° |
| C21 | C22 | C24 | N6 | 131.5° | 180.0° |
| H37 | C21 | C22 | C23 | 34.0° | 53.9° |
| H37 | C21 | C22 | C24 | 154.7° | 173.9° |
| H37 | C21 | C22 | H39 | 86.1° | 66.1° |
| H38 | C21 | C22 | C23 | 84.2° | 66.1° |
| H38 | C21 | C22 | C24 | 36.5° | 53.9° |
| H38 | C21 | C22 | H39 | 155.7° | 173.9° |
| C23 | C22 | C24 | H39 | 119.6° | 120.0° |
| C22 | C23 | H40 | H41 | 120.0° | 120.0° |
| C22 | C23 | H40 | H42 | 120.0° | 120.0° |
| C22 | C23 | H41 | H42 | 120.0° | 120.1° |
| C23 | C22 | C24 | O8 | 74.8° | 120.0° |
| C23 | C22 | C24 | N6 | 107.3° | 60.0° |
| C24 | C22 | C23 | H40 | 59.7° | 65.0° |
| C24 | C22 | C23 | H41 | 179.7° | 175.1° |
| C24 | C22 | C23 | H42 | 60.3° | 55.0° |
| C22 | C24 | O8 | N6 | 177.7° | 180.0° |
| C22 | C24 | N6 | C25 | 175.9° | 180.0° |
| C22 | C24 | N6 | H43 | 4.1° | 0.0° |
| H39 | C22 | C23 | H40 | 59.9° | 55.1° |
| H39 | C22 | C23 | H41 | 60.1° | 64.9° |
| H39 | C22 | C23 | H42 | 179.9° | 175.0° |
| H39 | C22 | C24 | O8 | 165.5° | 120.0° |
| H39 | C22 | C24 | N6 | 12.3° | 60.0° |
| H40 | C23 | H41 | H42 | 120.0° | 120.0° |
| O8 | C24 | N6 | C25 | 6.4° | 0.0° |
| O8 | C24 | N6 | H43 | 173.7° | 179.9° |
| C25 | N6 | H43 | C24 | 180.0° | 180.0° |
| N6 | C25 | C26 | C27 | 119.6° | 120.1° |
| N6 | C25 | C26 | H44 | 118.0° | 119.9° |
| N6 | C25 | C27 | H44 | 122.8° | 119.9° |
| N6 | C25 | C26 | O9 | 49.3° | 0.0° |
| N6 | C25 | C27 | H45 | 180.0° | 60.0° |
| N6 | C25 | C27 | H46 | 60.0° | 180.0° |
| N6 | C25 | C27 | H47 | 60.0° | 60.0° |
| N6 | C25 | C26 | N7 | 137.3° | 180.0° |
| H43 | N6 | C25 | C26 | 120.3° | 25.1° |
| H43 | N6 | C25 | C27 | 0.1° | 95.0° |
| H43 | N6 | C25 | H44 | 122.3° | 145.0° |
| C26 | C25 | C27 | H44 | 122.4° | 120.0° |
| C25 | C26 | O9 | N7 | 172.7° | 180.0° |
| C26 | C25 | C27 | H45 | 65.2° | 60.0° |
| C26 | C25 | C27 | H46 | 174.8° | 60.0° |
| C26 | C25 | C27 | H47 | 54.8° | 180.0° |
| C25 | C26 | N7 | C28 | 165.2° | 180.0° |
| C25 | C26 | N7 | H48 | 14.8° | 0.0° |
| C26 | C25 | N6 | C24 | 59.7° | 155.0° |
| C27 | C25 | C26 | O9 | 70.3° | 120.0° |
| C25 | C27 | H45 | H46 | 120.0° | 120.0° |
| C25 | C27 | H45 | H47 | 120.0° | 120.0° |
| C25 | C27 | H46 | H47 | 120.0° | 120.1° |
| C27 | C25 | N6 | C24 | 179.9° | 85.0° |
| C27 | C25 | C26 | N7 | 103.1° | 60.0° |
| H44 | C25 | C26 | O9 | 167.2° | 120.0° |
| H44 | C25 | C27 | H45 | 57.2° | 179.9° |
| H44 | C25 | C27 | H46 | 62.8° | 60.1° |
| H44 | C25 | C27 | H47 | 177.2° | 60.0° |
| H44 | C25 | N6 | C24 | 57.7° | 35.0° |
| H44 | C25 | C26 | N7 | 19.4° | 60.0° |
| O9 | C26 | N7 | C28 | 21.6° | 0.0° |
| O9 | C26 | N7 | H48 | 158.4° | 180.0° |
| H45 | C27 | H46 | H47 | 120.0° | 120.0° |
| C28 | N7 | H48 | C26 | 180.0° | 180.0° |
| N7 | C28 | C29 | C30 | 139.3° | 120.0° |
| N7 | C28 | C29 | H49 | 113.3° | 120.0° |
| N7 | C28 | C30 | H49 | 106.7° | 120.0° |
| N7 | C28 | C29 | O10 | 68.2° | 0.1° |
| N7 | C28 | C30 | C31 | 113.6° | 65.1° |
| N7 | C28 | C30 | H50 | 6.6° | 55.0° |
| N7 | C28 | C30 | H51 | 126.3° | 175.0° |
| N7 | C28 | C29 | N8 | 110.9° | 180.0° |
| H48 | N7 | C28 | C29 | 117.5° | 25.0° |
| H48 | N7 | C28 | C30 | 22.7° | 95.0° |
| H48 | N7 | C28 | H49 | 129.2° | 144.9° |
| C29 | C28 | C30 | H49 | 107.4° | 120.0° |
| C28 | C29 | O10 | N8 | 178.7° | 179.9° |
| C29 | C28 | C30 | C31 | 100.5° | 175.0° |
| C29 | C28 | C30 | H50 | 139.3° | 64.9° |
| C29 | C28 | C30 | H51 | 19.6° | 55.0° |
| C28 | C29 | N8 | C33 | 179.2° | 179.9° |
| C28 | C29 | N8 | H55 | 0.8° | 0.0° |
| C29 | C28 | N7 | C26 | 62.5° | 155.0° |
| C30 | C28 | C29 | O10 | 71.1° | 119.9° |
| C28 | C30 | C31 | H50 | 120.1° | 120.0° |
| C28 | C30 | C31 | H51 | 120.1° | 119.9° |
| C28 | C30 | H50 | H51 | 119.7° | 120.0° |
| C28 | C30 | C31 | C32 | 127.4° | 179.9° |
| C28 | C30 | C31 | H52 | 6.6° | 59.9° |
| C28 | C30 | C31 | H53 | 111.9° | 60.1° |
| C30 | C28 | N7 | C26 | 157.3° | 85.0° |
| C30 | C28 | C29 | N8 | 109.8° | 60.0° |
| H49 | C28 | C29 | O10 | 178.5° | 120.0° |
| H49 | C28 | C30 | C31 | 6.9° | 55.0° |
| H49 | C28 | C30 | H50 | 113.2° | 175.0° |
| H49 | C28 | C30 | H51 | 127.0° | 65.0° |
| H49 | C28 | N7 | C26 | 50.8° | 35.0° |
| H49 | C28 | C29 | N8 | 2.5° | 60.1° |
| O10 | C29 | N8 | C33 | 0.2° | 0.0° |
| O10 | C29 | N8 | H55 | 179.8° | 179.9° |
| C31 | C30 | H50 | H51 | 119.7° | 120.0° |
| C30 | C31 | C32 | H52 | 120.7° | 120.0° |
| C30 | C31 | C32 | H53 | 120.7° | 120.0° |
| C30 | C31 | H52 | H53 | 117.6° | 120.0° |
| C30 | C31 | C32 | O11 | 36.0° | 0.0° |
| C30 | C31 | C32 | O12 | 143.3° | 180.0° |
| H50 | C30 | C31 | C32 | 112.5° | 60.0° |
| H50 | C30 | C31 | H52 | 126.7° | 180.0° |
| H50 | C30 | C31 | H53 | 8.2° | 60.0° |
| H51 | C30 | C31 | C32 | 7.3° | 60.0° |
| H51 | C30 | C31 | H52 | 113.5° | 60.0° |
| H51 | C30 | C31 | H53 | 128.0° | 180.0° |
| C32 | C31 | H52 | H53 | 117.7° | 120.0° |
| C31 | C32 | O11 | O12 | 179.3° | 180.0° |
| C31 | C32 | O12 | H54 | 179.2° | 180.0° |
| H52 | C31 | C32 | O11 | 156.7° | 119.9° |
| H52 | C31 | C32 | O12 | 22.6° | 60.0° |
| H53 | C31 | C32 | O11 | 84.7° | 120.0° |
| H53 | C31 | C32 | O12 | 96.0° | 60.0° |
| O11 | C32 | O12 | H54 | 0.0° | 0.0° |
| C33 | N8 | H55 | C29 | 180.0° | 179.9° |
| N8 | C33 | C34 | C35 | 127.8° | 120.0° |
| N8 | C33 | C34 | H56 | 116.4° | 119.9° |
| N8 | C33 | C35 | H56 | 114.8° | 119.9° |
| N8 | C33 | C34 | O13 | 18.3° | 0.0° |
| N8 | C33 | C34 | O14 | 167.7° | 180.0° |
| N8 | C33 | C35 | C36 | 83.1° | 64.9° |
| N8 | C33 | C35 | H57 | 157.3° | 55.0° |
| N8 | C33 | C35 | H58 | 36.4° | 175.0° |
| H55 | N8 | C33 | C34 | 145.4° | 94.9° |
| H55 | N8 | C33 | C35 | 85.5° | 25.1° |
| H55 | N8 | C33 | H56 | 29.3° | 145.1° |
| C34 | C33 | C35 | H56 | 115.5° | 120.1° |
| C33 | C34 | O13 | O14 | 174.3° | 180.0° |
| C34 | C33 | C35 | C36 | 46.6° | 175.0° |
| C34 | C33 | C35 | H57 | 73.0° | 65.0° |
| C34 | C33 | C35 | H58 | 166.1° | 55.0° |
| C33 | C34 | O14 | H64 | 174.6° | 180.0° |
| C34 | C33 | N8 | C29 | 34.6° | 85.0° |
| C35 | C33 | C34 | O13 | 146.1° | 120.0° |
| C35 | C33 | C34 | O14 | 39.9° | 60.0° |
| C33 | C35 | C36 | H57 | 119.5° | 120.0° |
| C33 | C35 | C36 | H58 | 119.5° | 120.0° |
| C33 | C35 | H57 | H58 | 121.4° | 120.0° |
| C33 | C35 | C36 | C37 | 42.1° | 90.0° |
| C33 | C35 | C36 | C38 | 137.9° | 90.3° |
| C35 | C33 | N8 | C29 | 94.6° | 155.0° |
| H56 | C33 | C34 | O13 | 98.1° | 119.9° |
| H56 | C33 | C34 | O14 | 75.9° | 60.0° |
| H56 | C33 | C35 | C36 | 162.0° | 55.0° |
| H56 | C33 | C35 | H57 | 42.5° | 175.0° |
| H56 | C33 | C35 | H58 | 78.4° | 65.1° |
| H56 | C33 | N8 | C29 | 150.7° | 35.0° |
| O13 | C34 | O14 | H64 | 0.0° | 0.1° |
| C36 | C35 | H57 | H58 | 121.4° | 120.0° |
| C35 | C36 | C37 | C38 | 180.0° | 179.7° |
| C35 | C36 | C37 | C39 | 179.9° | 180.0° |
| C35 | C36 | C37 | H59 | 0.1° | 0.1° |
| C35 | C36 | C38 | C40 | 178.8° | 180.0° |
| C35 | C36 | C38 | H60 | 1.2° | 0.1° |
| H57 | C35 | C36 | C37 | 161.6° | 30.0° |
| H57 | C35 | C36 | C38 | 18.4° | 149.7° |
| H58 | C35 | C36 | C37 | 77.4° | 150.0° |
| H58 | C35 | C36 | C38 | 102.6° | 29.7° |
| C36 | C37 | C39 | H59 | 180.0° | 179.9° |
| C37 | C36 | C38 | C40 | 1.2° | 0.3° |
| C37 | C36 | C38 | H60 | 178.8° | 179.6° |
| C36 | C37 | C39 | C41 | 1.3° | 0.0° |
| C36 | C37 | C39 | H61 | 178.7° | 179.9° |
| C38 | C36 | C37 | C39 | 0.1° | 0.3° |
| C38 | C36 | C37 | H59 | 179.9° | 179.8° |
| C36 | C38 | C40 | H60 | 180.0° | 179.9° |
| C36 | C38 | C40 | C41 | 1.4° | 0.0° |
| C36 | C38 | C40 | H62 | 178.6° | 180.0° |
| C37 | C39 | C41 | H61 | 180.0° | 179.9° |
| C37 | C39 | C41 | C40 | 1.1° | 0.3° |
| C37 | C39 | C41 | H63 | 178.9° | 180.0° |
| H59 | C37 | C39 | C41 | 178.7° | 179.9° |
| H59 | C37 | C39 | H61 | 1.3° | 0.1° |
| C38 | C40 | C41 | C39 | 0.2° | 0.3° |
| C38 | C40 | C41 | H62 | 180.0° | 180.0° |
| C38 | C40 | C41 | H63 | 179.8° | 180.0° |
| H60 | C38 | C40 | C41 | 178.6° | 179.9° |
| H60 | C38 | C40 | H62 | 1.4° | 0.0° |
| C39 | C41 | C40 | H63 | 180.0° | 179.7° |
| C39 | C41 | C40 | H62 | 179.7° | 179.7° |
| H61 | C39 | C41 | C40 | 178.9° | 179.9° |
| H61 | C39 | C41 | H63 | 1.1° | 0.1° |
| H62 | C40 | C41 | H63 | 0.3° | 0.1° |
