PRD_000794
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.54Å | 1.54Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.55Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.50Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| O4 | C14 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | C17 | doub | 1.35Å | 1.35Å | Aromatic |
| C17 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C18 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H45 | sing | 1.08Å | 1.08Å | |
| C31 | H46 | sing | 1.08Å | 1.08Å | |
| C33 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| N5 | C32 | sing | 1.34Å | 1.37Å | Aromatic |
| C32 | H47 | sing | 1.08Å | 1.08Å | |
| N5 | C33 | doub | 1.30Å | 1.30Å | Aromatic |
| C33 | H48 | sing | 1.08Å | 1.08Å | |
| N6 | C34 | sing | 1.47Å | 1.46Å | |
| N6 | H49 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.49Å | |
| C34 | C36 | sing | 1.53Å | 1.56Å | |
| C34 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | O5 | doub | 1.21Å | 1.26Å | |
| C36 | O6 | sing | 1.43Å | 1.42Å | |
| C36 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| O6 | H53 | sing | 0.97Å | 0.95Å | |
| N7 | C37 | sing | 1.46Å | 1.43Å | |
| N7 | H54 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C40 | sing | 1.51Å | 1.48Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | O7 | sing | 1.43Å | 1.41Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| O7 | P1 | sing | 1.61Å | 1.65Å | |
| P1 | O8 | doub | 1.48Å | 1.48Å | |
| P1 | O9 | sing | 1.61Å | 1.53Å | |
| P1 | O10 | sing | 1.61Å | 1.51Å | |
| O9 | H60 | sing | 0.97Å | 0.95Å | |
| O10 | H61 | sing | 0.97Å | 0.95Å | |
| C40 | O11 | doub | 1.21Å | 1.19Å | |
| N8 | H62 | sing | 0.97Å | 1.00Å | |
| N8 | H63 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | N6 | sing | 1.35Å | 1.34Å | |
| C35 | N7 | sing | 1.35Å | 1.34Å | |
| C40 | N8 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.2° | 120.0° |
| O1 | C1 | N1 | 117.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 118.3° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | C7 | 111.3° | 108.7° |
| N1 | C3 | C4 | 113.6° | 109.9° |
| N1 | C3 | C5 | 106.1° | 107.2° |
| N1 | C3 | H4 | 109.7° | 109.9° |
| C3 | N1 | C1 | 124.4° | 125.6° |
| N1 | C7 | C6 | 106.8° | 104.8° |
| N1 | C7 | H9 | 110.2° | 110.4° |
| N1 | C7 | H10 | 110.1° | 110.4° |
| C7 | N1 | C1 | 124.2° | 125.7° |
| C4 | C3 | C5 | 109.1° | 109.9° |
| C4 | C3 | H4 | 109.3° | 109.9° |
| C3 | C4 | O2 | 122.2° | 120.0° |
| C3 | C4 | N2 | 112.9° | 120.0° |
| C5 | C3 | H4 | 108.9° | 110.0° |
| C3 | C5 | C6 | 105.7° | 102.9° |
| C3 | C5 | H5 | 110.4° | 110.7° |
| C3 | C5 | H6 | 110.4° | 110.7° |
| O2 | C4 | N2 | 124.6° | 120.0° |
| C6 | C5 | H5 | 110.4° | 110.8° |
| C6 | C5 | H6 | 110.4° | 110.7° |
| C5 | C6 | C7 | 106.3° | 101.5° |
| C5 | C6 | H7 | 110.3° | 111.0° |
| C5 | C6 | H8 | 110.3° | 111.0° |
| H5 | C5 | H6 | 109.5° | 110.8° |
| C7 | C6 | H7 | 110.2° | 111.2° |
| C7 | C6 | H8 | 110.2° | 110.9° |
| C6 | C7 | H9 | 110.1° | 110.5° |
| C6 | C7 | H10 | 110.1° | 110.3° |
| H7 | C6 | H8 | 109.5° | 110.9° |
| H9 | C7 | H10 | 109.5° | 110.4° |
| C8 | N2 | H11 | 119.3° | 120.0° |
| N2 | C8 | C9 | 113.6° | 109.5° |
| N2 | C8 | C10 | 110.7° | 109.4° |
| N2 | C8 | H12 | 108.7° | 109.5° |
| C8 | N2 | C4 | 121.3° | 120.0° |
| H11 | N2 | C4 | 119.4° | 120.0° |
| C9 | C8 | C10 | 107.7° | 109.5° |
| C9 | C8 | H12 | 108.0° | 109.5° |
| C8 | C9 | O3 | 122.7° | 120.0° |
| C8 | C9 | N3 | 114.7° | 120.0° |
| C10 | C8 | H12 | 108.0° | 109.5° |
| C8 | C10 | C11 | 109.7° | 109.5° |
| C8 | C10 | H13 | 109.4° | 109.5° |
| C8 | C10 | H14 | 109.4° | 109.4° |
| O3 | C9 | N3 | 122.6° | 120.0° |
| C11 | C10 | H13 | 109.4° | 109.5° |
| C11 | C10 | H14 | 109.4° | 109.4° |
| C10 | C11 | C12 | 111.3° | 109.5° |
| C10 | C11 | C13 | 110.7° | 109.5° |
| C10 | C11 | H15 | 110.7° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| C12 | C11 | C13 | 102.2° | 109.5° |
| C12 | C11 | H15 | 110.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.4° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C13 | C11 | H15 | 111.2° | 109.4° |
| C11 | C13 | H19 | 109.5° | 109.5° |
| C11 | C13 | H20 | 109.5° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.4° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H21 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| O4 | C14 | C15 | 123.8° | 120.0° |
| O4 | C14 | N6 | 120.6° | 120.0° |
| C14 | C15 | N3 | 106.9° | 109.5° |
| C14 | C15 | C16 | 112.8° | 109.4° |
| C14 | C15 | H23 | 108.3° | 109.4° |
| C15 | C14 | N6 | 115.0° | 120.0° |
| C15 | N3 | H22 | 119.8° | 120.0° |
| N3 | C15 | C16 | 112.2° | 109.5° |
| N3 | C15 | H23 | 108.7° | 109.5° |
| C15 | N3 | C9 | 120.3° | 120.0° |
| H22 | N3 | C9 | 119.8° | 120.0° |
| C16 | C15 | H23 | 107.9° | 109.5° |
| C15 | C16 | C17 | 114.4° | 109.5° |
| C15 | C16 | H24 | 108.2° | 109.5° |
| C15 | C16 | H25 | 108.2° | 109.5° |
| C17 | C16 | H24 | 108.2° | 109.5° |
| C17 | C16 | H25 | 108.2° | 109.4° |
| C16 | C17 | C32 | 128.9° | 126.6° |
| C16 | C17 | N4 | 123.6° | 126.6° |
| H24 | C16 | H25 | 109.4° | 109.5° |
| C32 | C17 | N4 | 107.5° | 106.8° |
| C17 | C32 | N5 | 107.8° | 108.0° |
| C17 | C32 | H47 | 126.1° | 126.0° |
| C17 | N4 | C18 | 124.5° | 126.4° |
| C17 | N4 | C33 | 106.1° | 107.2° |
| N4 | C18 | C19 | 106.9° | 109.5° |
| N4 | C18 | H26 | 110.1° | 109.4° |
| N4 | C18 | H27 | 110.1° | 109.5° |
| C18 | N4 | C33 | 129.3° | 126.4° |
| C19 | C18 | H26 | 110.1° | 109.5° |
| C19 | C18 | H27 | 110.1° | 109.5° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | H28 | 109.1° | 109.5° |
| C18 | C19 | H29 | 109.1° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
| C20 | C19 | H28 | 109.1° | 109.5° |
| C20 | C19 | H29 | 109.1° | 109.5° |
| C19 | C20 | C21 | 107.9° | 109.5° |
| C19 | C20 | H30 | 109.8° | 109.5° |
| C19 | C20 | H31 | 109.9° | 109.5° |
| H28 | C19 | H29 | 109.4° | 109.5° |
| C21 | C20 | H30 | 109.8° | 109.4° |
| C21 | C20 | H31 | 109.8° | 109.5° |
| C20 | C21 | C22 | 102.3° | 109.5° |
| C20 | C21 | H32 | 111.2° | 109.4° |
| C20 | C21 | H33 | 111.2° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| C22 | C21 | H32 | 111.2° | 109.5° |
| C22 | C21 | H33 | 111.2° | 109.5° |
| C21 | C22 | C23 | 105.6° | 109.4° |
| C21 | C22 | H34 | 110.4° | 109.5° |
| C21 | C22 | H35 | 110.4° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
| C23 | C22 | H34 | 110.4° | 109.5° |
| C23 | C22 | H35 | 110.4° | 109.5° |
| C22 | C23 | C24 | 108.3° | 109.4° |
| C22 | C23 | H36 | 109.8° | 109.5° |
| C22 | C23 | H37 | 109.8° | 109.5° |
| H34 | C22 | H35 | 109.5° | 109.5° |
| C24 | C23 | H36 | 109.7° | 109.5° |
| C24 | C23 | H37 | 109.7° | 109.4° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C23 | C24 | H38 | 109.0° | 109.5° |
| C23 | C24 | H39 | 108.9° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| C25 | C24 | H38 | 109.0° | 109.5° |
| C25 | C24 | H39 | 109.0° | 109.5° |
| C24 | C25 | C26 | 115.9° | 109.5° |
| C24 | C25 | H40 | 107.9° | 109.5° |
| C24 | C25 | H41 | 107.8° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| C26 | C25 | H40 | 107.9° | 109.5° |
| C26 | C25 | H41 | 107.9° | 109.5° |
| C25 | C26 | C31 | 119.0° | 120.0° |
| C25 | C26 | C27 | 122.0° | 120.0° |
| H40 | C25 | H41 | 109.4° | 109.5° |
| C31 | C26 | C27 | 119.0° | 120.0° |
| C26 | C31 | C30 | 122.9° | 120.0° |
| C26 | C31 | H46 | 118.5° | 120.0° |
| C26 | C27 | C28 | 118.5° | 120.0° |
| C26 | C27 | H42 | 120.7° | 120.0° |
| C28 | C27 | H42 | 120.7° | 120.0° |
| C27 | C28 | C29 | 121.3° | 120.0° |
| C27 | C28 | H43 | 119.4° | 120.0° |
| C29 | C28 | H43 | 119.3° | 120.0° |
| C28 | C29 | C30 | 121.0° | 120.0° |
| C28 | C29 | H44 | 119.5° | 120.0° |
| C30 | C29 | H44 | 119.5° | 120.0° |
| C29 | C30 | C31 | 117.2° | 120.1° |
| C29 | C30 | H45 | 121.4° | 120.0° |
| C31 | C30 | H45 | 121.4° | 120.0° |
| C30 | C31 | H46 | 118.5° | 120.0° |
| N4 | C33 | N5 | 109.6° | 108.7° |
| N4 | C33 | H48 | 125.2° | 125.6° |
| N5 | C32 | H47 | 126.1° | 126.0° |
| C32 | N5 | C33 | 109.0° | 109.3° |
| N5 | C33 | H48 | 125.2° | 125.6° |
| C34 | N6 | H49 | 118.3° | 120.0° |
| N6 | C34 | C35 | 108.5° | 109.5° |
| N6 | C34 | C36 | 109.5° | 109.4° |
| N6 | C34 | H50 | 108.4° | 109.4° |
| C34 | N6 | C14 | 123.4° | 120.1° |
| H49 | N6 | C14 | 118.3° | 120.0° |
| C35 | C34 | C36 | 115.1° | 109.5° |
| C35 | C34 | H50 | 108.0° | 109.5° |
| C34 | C35 | O5 | 126.0° | 120.0° |
| C34 | C35 | N7 | 115.0° | 120.0° |
| C36 | C34 | H50 | 107.2° | 109.5° |
| C34 | C36 | O6 | 108.8° | 109.5° |
| C34 | C36 | H51 | 109.7° | 109.4° |
| C34 | C36 | H52 | 109.6° | 109.5° |
| O5 | C35 | N7 | 119.0° | 120.0° |
| O6 | C36 | H51 | 109.6° | 109.5° |
| O6 | C36 | H52 | 109.7° | 109.5° |
| C36 | O6 | H53 | 109.5° | 114.0° |
| H51 | C36 | H52 | 109.4° | 109.4° |
| C37 | N7 | H54 | 118.9° | 120.0° |
| N7 | C37 | C38 | 108.6° | 109.5° |
| N7 | C37 | C40 | 115.8° | 109.5° |
| N7 | C37 | H55 | 108.3° | 109.5° |
| C37 | N7 | C35 | 122.3° | 120.0° |
| H54 | N7 | C35 | 118.9° | 120.0° |
| C38 | C37 | C40 | 109.1° | 109.4° |
| C38 | C37 | H55 | 107.0° | 109.5° |
| C37 | C38 | C39 | 107.6° | 109.4° |
| C37 | C38 | O7 | 107.3° | 109.5° |
| C37 | C38 | H56 | 110.8° | 109.4° |
| C40 | C37 | H55 | 107.7° | 109.5° |
| C37 | C40 | O11 | 122.1° | 120.0° |
| C37 | C40 | N8 | 116.4° | 120.0° |
| C39 | C38 | O7 | 107.4° | 109.5° |
| C39 | C38 | H56 | 110.8° | 109.5° |
| C38 | C39 | H57 | 109.5° | 109.5° |
| C38 | C39 | H58 | 109.5° | 109.5° |
| C38 | C39 | H59 | 109.5° | 109.5° |
| O7 | C38 | H56 | 112.7° | 109.5° |
| C38 | O7 | P1 | 116.5° | 123.0° |
| H57 | C39 | H58 | 109.4° | 109.4° |
| H57 | C39 | H59 | 109.4° | 109.5° |
| H58 | C39 | H59 | 109.5° | 109.5° |
| O7 | P1 | O8 | 106.2° | 109.5° |
| O7 | P1 | O9 | 101.8° | 109.5° |
| O7 | P1 | O10 | 106.5° | 109.5° |
| O8 | P1 | O9 | 114.9° | 109.5° |
| O8 | P1 | O10 | 114.8° | 109.4° |
| O9 | P1 | O10 | 111.2° | 109.5° |
| P1 | O9 | H60 | 109.5° | 114.0° |
| P1 | O10 | H61 | 109.5° | 114.0° |
| O11 | C40 | N8 | 121.5° | 120.0° |
| H62 | N8 | H63 | 120.0° | 120.0° |
| H62 | N8 | C40 | 120.0° | 120.0° |
| H63 | N8 | C40 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 171.3° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.1° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 5.3° | 0.0° |
| O1 | C1 | N1 | C7 | 172.2° | 179.7° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 177.1° | 179.7° |
| C2 | C1 | N1 | C7 | 0.4° | 0.6° |
| H1 | C2 | H2 | H3 | 120.0° | 119.9° |
| H1 | C2 | C1 | N1 | 171.4° | 89.7° |
| H2 | C2 | C1 | N1 | 51.4° | 30.3° |
| H3 | C2 | C1 | N1 | 68.6° | 150.3° |
| C3 | N1 | C7 | C1 | 177.8° | 179.7° |
| N1 | C3 | C4 | C5 | 118.1° | 117.8° |
| N1 | C3 | C4 | H4 | 122.9° | 121.1° |
| N1 | C3 | C5 | H4 | 118.0° | 119.5° |
| N1 | C3 | C4 | O2 | 28.8° | 18.5° |
| N1 | C3 | C5 | C6 | 18.2° | 22.2° |
| N1 | C3 | C5 | H5 | 137.6° | 140.6° |
| N1 | C3 | C5 | H6 | 101.2° | 96.1° |
| C3 | N1 | C7 | C6 | 2.0° | 24.4° |
| C3 | N1 | C7 | H9 | 117.5° | 94.5° |
| C3 | N1 | C7 | H10 | 121.6° | 143.2° |
| N1 | C3 | C4 | N2 | 144.9° | 161.5° |
| C7 | N1 | C3 | C4 | 109.5° | 120.7° |
| C7 | N1 | C3 | C5 | 10.3° | 1.3° |
| C7 | N1 | C3 | H4 | 127.8° | 118.2° |
| N1 | C7 | C6 | C5 | 13.4° | 37.3° |
| N1 | C7 | C6 | H9 | 119.6° | 118.9° |
| N1 | C7 | C6 | H10 | 119.6° | 118.8° |
| N1 | C7 | C6 | H7 | 106.1° | 80.8° |
| N1 | C7 | C6 | H8 | 132.9° | 155.3° |
| N1 | C7 | H9 | H10 | 121.3° | 122.3° |
| C4 | C3 | C5 | H4 | 119.3° | 121.1° |
| C3 | C4 | O2 | N2 | 172.9° | 180.0° |
| C4 | C3 | C5 | C6 | 104.5° | 97.2° |
| C4 | C3 | C5 | H5 | 14.9° | 21.1° |
| C4 | C3 | C5 | H6 | 136.1° | 144.4° |
| C3 | C4 | N2 | C8 | 178.1° | 180.0° |
| C3 | C4 | N2 | H11 | 1.9° | 0.0° |
| C4 | C3 | N1 | C1 | 68.3° | 59.6° |
| C5 | C3 | C4 | O2 | 89.3° | 99.3° |
| C3 | C5 | C6 | H5 | 119.4° | 118.4° |
| C3 | C5 | C6 | H6 | 119.4° | 118.4° |
| C3 | C5 | H5 | H6 | 121.7° | 123.3° |
| C3 | C5 | C6 | C7 | 19.5° | 35.6° |
| C3 | C5 | C6 | H7 | 100.0° | 82.6° |
| C3 | C5 | C6 | H8 | 139.0° | 153.6° |
| C5 | C3 | N1 | C1 | 171.9° | 179.0° |
| C5 | C3 | C4 | N2 | 97.0° | 80.7° |
| H4 | C3 | C4 | O2 | 151.7° | 139.6° |
| H4 | C3 | C5 | C6 | 136.2° | 141.6° |
| H4 | C3 | C5 | H5 | 104.4° | 100.0° |
| H4 | C3 | C5 | H6 | 16.8° | 23.3° |
| H4 | C3 | N1 | C1 | 54.4° | 61.5° |
| H4 | C3 | C4 | N2 | 22.0° | 40.4° |
| O2 | C4 | N2 | C8 | 4.6° | 0.0° |
| O2 | C4 | N2 | H11 | 175.4° | 180.0° |
| C6 | C5 | H5 | H6 | 121.7° | 123.2° |
| C5 | C6 | C7 | H7 | 119.5° | 118.1° |
| C5 | C6 | C7 | H8 | 119.5° | 118.0° |
| C5 | C6 | H7 | H8 | 121.5° | 123.9° |
| C5 | C6 | C7 | H9 | 106.2° | 81.6° |
| C5 | C6 | C7 | H10 | 133.0° | 156.1° |
| H5 | C5 | C6 | C7 | 138.9° | 154.0° |
| H5 | C5 | C6 | H7 | 19.4° | 35.8° |
| H5 | C5 | C6 | H8 | 101.6° | 88.1° |
| H6 | C5 | C6 | C7 | 99.9° | 82.7° |
| H6 | C5 | C6 | H7 | 140.6° | 159.1° |
| H6 | C5 | C6 | H8 | 19.6° | 35.2° |
| C7 | C6 | H7 | H8 | 121.4° | 124.0° |
| C6 | C7 | H9 | H10 | 121.2° | 122.3° |
| C6 | C7 | N1 | C1 | 175.8° | 155.8° |
| H7 | C6 | C7 | H9 | 134.3° | 160.3° |
| H7 | C6 | C7 | H10 | 13.5° | 38.0° |
| H8 | C6 | C7 | H9 | 13.3° | 36.4° |
| H8 | C6 | C7 | H10 | 107.5° | 85.9° |
| H9 | C7 | N1 | C1 | 64.7° | 85.3° |
| H10 | C7 | N1 | C1 | 56.2° | 37.0° |
| C8 | N2 | H11 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 122.9° | 119.9° |
| N2 | C8 | C9 | H12 | 120.6° | 120.0° |
| N2 | C8 | C10 | H12 | 118.9° | 120.0° |
| N2 | C8 | C9 | O3 | 179.8° | 0.0° |
| N2 | C8 | C10 | C11 | 71.9° | 65.0° |
| N2 | C8 | C10 | H13 | 48.1° | 55.0° |
| N2 | C8 | C10 | H14 | 168.0° | 175.0° |
| N2 | C8 | C9 | N3 | 1.5° | 180.0° |
| H11 | N2 | C8 | C9 | 83.2° | 25.0° |
| H11 | N2 | C8 | C10 | 38.1° | 95.0° |
| H11 | N2 | C8 | H12 | 156.5° | 145.0° |
| C9 | C8 | C10 | H12 | 116.4° | 120.0° |
| C8 | C9 | O3 | N3 | 178.6° | 180.0° |
| C9 | C8 | C10 | C11 | 163.4° | 175.0° |
| C9 | C8 | C10 | H13 | 76.6° | 64.9° |
| C9 | C8 | C10 | H14 | 43.3° | 55.0° |
| C8 | C9 | N3 | C15 | 171.6° | 180.0° |
| C8 | C9 | N3 | H22 | 8.5° | 0.1° |
| C9 | C8 | N2 | C4 | 96.8° | 155.0° |
| C10 | C8 | C9 | O3 | 56.9° | 120.0° |
| C8 | C10 | C11 | H13 | 120.0° | 120.1° |
| C8 | C10 | C11 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H14 | 119.9° | 120.0° |
| C8 | C10 | C11 | C12 | 176.0° | 175.0° |
| C8 | C10 | C11 | C13 | 63.2° | 64.9° |
| C8 | C10 | C11 | H15 | 60.6° | 55.0° |
| C10 | C8 | N2 | C4 | 141.9° | 85.0° |
| C10 | C8 | C9 | N3 | 124.4° | 60.0° |
| H12 | C8 | C9 | O3 | 59.6° | 120.0° |
| H12 | C8 | C10 | C11 | 46.9° | 55.0° |
| H12 | C8 | C10 | H13 | 166.9° | 175.0° |
| H12 | C8 | C10 | H14 | 73.1° | 65.0° |
| H12 | C8 | N2 | C4 | 23.4° | 35.0° |
| H12 | C8 | C9 | N3 | 119.1° | 60.0° |
| O3 | C9 | N3 | C15 | 7.2° | 0.0° |
| O3 | C9 | N3 | H22 | 172.8° | 180.0° |
| C11 | C10 | H13 | H14 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 118.1° | 120.1° |
| C10 | C11 | C12 | H15 | 123.5° | 120.0° |
| C10 | C11 | C13 | H15 | 123.5° | 120.0° |
| C10 | C11 | C12 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 179.9° |
| C10 | C11 | C12 | H18 | 60.0° | 60.0° |
| C10 | C11 | C13 | H19 | 180.0° | 60.0° |
| C10 | C11 | C13 | H20 | 60.0° | 180.0° |
| C10 | C11 | C13 | H21 | 60.0° | 60.1° |
| H13 | C10 | C11 | C12 | 63.9° | 54.9° |
| H13 | C10 | C11 | C13 | 176.8° | 175.0° |
| H13 | C10 | C11 | H15 | 59.4° | 65.0° |
| H14 | C10 | C11 | C12 | 56.0° | 65.0° |
| H14 | C10 | C11 | C13 | 56.9° | 55.0° |
| H14 | C10 | C11 | H15 | 179.4° | 175.0° |
| C12 | C11 | C13 | H15 | 117.9° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H16 | H18 | 120.0° | 120.0° |
| C11 | C12 | H17 | H18 | 120.0° | 120.0° |
| C12 | C11 | C13 | H19 | 61.4° | 180.0° |
| C12 | C11 | C13 | H20 | 58.6° | 60.0° |
| C12 | C11 | C13 | H21 | 178.6° | 60.0° |
| C13 | C11 | C12 | H16 | 61.9° | 60.0° |
| C13 | C11 | C12 | H17 | 178.1° | 60.0° |
| C13 | C11 | C12 | H18 | 58.1° | 180.0° |
| C11 | C13 | H19 | H20 | 120.0° | 120.0° |
| C11 | C13 | H19 | H21 | 120.0° | 120.0° |
| C11 | C13 | H20 | H21 | 120.0° | 119.9° |
| H15 | C11 | C12 | H16 | 56.5° | 180.0° |
| H15 | C11 | C12 | H17 | 63.5° | 60.0° |
| H15 | C11 | C12 | H18 | 176.5° | 60.0° |
| H15 | C11 | C13 | H19 | 56.5° | 60.0° |
| H15 | C11 | C13 | H20 | 176.5° | 60.0° |
| H15 | C11 | C13 | H21 | 63.5° | 180.0° |
| H16 | C12 | H17 | H18 | 120.0° | 120.0° |
| H19 | C13 | H20 | H21 | 120.0° | 120.0° |
| O4 | C14 | C15 | N6 | 171.0° | 180.0° |
| O4 | C14 | C15 | N3 | 20.8° | 20.0° |
| O4 | C14 | C15 | C16 | 103.0° | 100.0° |
| O4 | C14 | C15 | H23 | 137.7° | 140.0° |
| O4 | C14 | N6 | C34 | 8.7° | 0.0° |
| O4 | C14 | N6 | H49 | 171.3° | 180.0° |
| C14 | C15 | N3 | C16 | 124.1° | 119.9° |
| C14 | C15 | N3 | H23 | 116.7° | 120.0° |
| C14 | C15 | N3 | H22 | 28.5° | 120.1° |
| C14 | C15 | C16 | H23 | 119.5° | 119.9° |
| C14 | C15 | C16 | C17 | 70.1° | 175.0° |
| C14 | C15 | C16 | H24 | 50.7° | 65.0° |
| C14 | C15 | C16 | H25 | 169.2° | 55.0° |
| C15 | C14 | N6 | C34 | 180.0° | 180.0° |
| C15 | C14 | N6 | H49 | 0.0° | 0.1° |
| C14 | C15 | N3 | C9 | 151.6° | 60.0° |
| C15 | N3 | H22 | C9 | 180.0° | 179.9° |
| N3 | C15 | C16 | H23 | 119.7° | 120.1° |
| N3 | C15 | C16 | C17 | 50.7° | 65.0° |
| N3 | C15 | C16 | H24 | 171.4° | 55.0° |
| N3 | C15 | C16 | H25 | 70.0° | 175.0° |
| N3 | C15 | C14 | N6 | 168.2° | 160.0° |
| H22 | N3 | C15 | C16 | 95.7° | 120.0° |
| H22 | N3 | C15 | H23 | 145.1° | 0.1° |
| C15 | C16 | C17 | H24 | 120.7° | 120.0° |
| C15 | C16 | C17 | H25 | 120.7° | 120.0° |
| C15 | C16 | H24 | H25 | 117.7° | 120.0° |
| C15 | C16 | C17 | C32 | 82.6° | 84.7° |
| C15 | C16 | C17 | N4 | 98.6° | 95.0° |
| C16 | C15 | N3 | C9 | 84.3° | 60.0° |
| C16 | C15 | C14 | N6 | 68.0° | 80.0° |
| H23 | C15 | C16 | C17 | 170.4° | 55.0° |
| H23 | C15 | C16 | H24 | 68.9° | 175.1° |
| H23 | C15 | C16 | H25 | 49.6° | 64.9° |
| H23 | C15 | N3 | C9 | 34.9° | 180.0° |
| H23 | C15 | C14 | N6 | 51.3° | 39.9° |
| C17 | C16 | H24 | H25 | 117.7° | 120.0° |
| C16 | C17 | C32 | N4 | 178.9° | 179.8° |
| C16 | C17 | N4 | C18 | 2.4° | 0.1° |
| C16 | C17 | N4 | C33 | 178.4° | 180.0° |
| C16 | C17 | C32 | N5 | 178.0° | 180.0° |
| C16 | C17 | C32 | H47 | 2.1° | 0.0° |
| H24 | C16 | C17 | C32 | 38.1° | 35.3° |
| H24 | C16 | C17 | N4 | 140.7° | 145.0° |
| H25 | C16 | C17 | C32 | 156.6° | 155.3° |
| H25 | C16 | C17 | N4 | 22.1° | 25.0° |
| C32 | C17 | N4 | C18 | 176.6° | 179.7° |
| C32 | C17 | N4 | C33 | 0.6° | 0.2° |
| C17 | C32 | N5 | H47 | 180.0° | 179.9° |
| C17 | C32 | N5 | C33 | 1.0° | 0.1° |
| C17 | N4 | C18 | C33 | 175.0° | 179.9° |
| C17 | N4 | C18 | C19 | 84.4° | 84.9° |
| C17 | N4 | C18 | H26 | 35.2° | 35.1° |
| C17 | N4 | C18 | H27 | 156.0° | 155.0° |
| N4 | C17 | C32 | N5 | 1.0° | 0.2° |
| N4 | C17 | C32 | H47 | 179.0° | 179.7° |
| C17 | N4 | C33 | N5 | 0.1° | 0.1° |
| C17 | N4 | C33 | H48 | 179.9° | 180.0° |
| N4 | C18 | C19 | H26 | 119.6° | 120.0° |
| N4 | C18 | C19 | H27 | 119.6° | 120.0° |
| N4 | C18 | H26 | H27 | 121.2° | 119.9° |
| N4 | C18 | C19 | C20 | 178.9° | 180.0° |
| N4 | C18 | C19 | H28 | 60.8° | 60.0° |
| N4 | C18 | C19 | H29 | 58.7° | 60.0° |
| C18 | N4 | C33 | N5 | 175.7° | 179.8° |
| C18 | N4 | C33 | H48 | 4.4° | 0.1° |
| C19 | C18 | H26 | H27 | 121.2° | 120.0° |
| C18 | C19 | C20 | H28 | 120.2° | 120.0° |
| C18 | C19 | C20 | H29 | 120.2° | 120.0° |
| C18 | C19 | H28 | H29 | 119.3° | 120.0° |
| C18 | C19 | C20 | C21 | 177.6° | 180.0° |
| C18 | C19 | C20 | H30 | 62.7° | 60.0° |
| C18 | C19 | C20 | H31 | 57.8° | 60.0° |
| C19 | C18 | N4 | C33 | 90.6° | 94.9° |
| H26 | C18 | C19 | C20 | 59.3° | 60.0° |
| H26 | C18 | C19 | H28 | 179.6° | 60.0° |
| H26 | C18 | C19 | H29 | 60.9° | 180.0° |
| H26 | C18 | N4 | C33 | 149.8° | 145.0° |
| H27 | C18 | C19 | C20 | 61.5° | 60.0° |
| H27 | C18 | C19 | H28 | 58.8° | 180.0° |
| H27 | C18 | C19 | H29 | 178.3° | 60.0° |
| H27 | C18 | N4 | C33 | 29.0° | 25.1° |
| C20 | C19 | H28 | H29 | 119.3° | 120.0° |
| C19 | C20 | C21 | H30 | 119.8° | 119.9° |
| C19 | C20 | C21 | H31 | 119.8° | 120.0° |
| C19 | C20 | H30 | H31 | 120.7° | 120.0° |
| C19 | C20 | C21 | C22 | 161.3° | NaN° |
| C19 | C20 | C21 | H32 | 79.9° | 60.1° |
| C19 | C20 | C21 | H33 | 42.5° | 60.0° |
| H28 | C19 | C20 | C21 | 57.3° | 60.0° |
| H28 | C19 | C20 | H30 | 177.1° | 180.0° |
| H28 | C19 | C20 | H31 | 62.4° | 60.0° |
| H29 | C19 | C20 | C21 | 62.2° | 60.0° |
| H29 | C19 | C20 | H30 | 57.6° | 60.0° |
| H29 | C19 | C20 | H31 | 178.1° | 180.0° |
| C21 | C20 | H30 | H31 | 120.7° | 120.0° |
| C20 | C21 | C22 | H32 | 118.8° | 119.9° |
| C20 | C21 | C22 | H33 | 118.8° | 120.0° |
| C20 | C21 | H32 | H33 | 123.3° | 120.0° |
| C20 | C21 | C22 | C23 | 174.7° | 180.0° |
| C20 | C21 | C22 | H34 | 65.9° | 60.0° |
| C20 | C21 | C22 | H35 | 55.3° | 60.0° |
| H30 | C20 | C21 | C22 | 41.5° | 60.1° |
| H30 | C20 | C21 | H32 | 160.4° | NaN° |
| H30 | C20 | C21 | H33 | 77.3° | 60.0° |
| H31 | C20 | C21 | C22 | 78.9° | 60.0° |
| H31 | C20 | C21 | H32 | 39.9° | 60.0° |
| H31 | C20 | C21 | H33 | 162.2° | NaN° |
| C22 | C21 | H32 | H33 | 123.3° | 120.0° |
| C21 | C22 | C23 | H34 | 119.4° | 120.0° |
| C21 | C22 | C23 | H35 | 119.4° | 120.0° |
| C21 | C22 | H34 | H35 | 121.8° | 120.0° |
| C21 | C22 | C23 | C24 | 79.1° | 180.0° |
| C21 | C22 | C23 | H36 | 161.1° | 60.0° |
| C21 | C22 | C23 | H37 | 40.7° | 60.0° |
| H32 | C21 | C22 | C23 | 55.8° | 60.0° |
| H32 | C21 | C22 | H34 | 175.2° | 180.0° |
| H32 | C21 | C22 | H35 | 63.5° | 60.0° |
| H33 | C21 | C22 | C23 | 66.5° | 60.0° |
| H33 | C21 | C22 | H34 | 52.9° | 60.0° |
| H33 | C21 | C22 | H35 | 174.1° | 180.0° |
| C23 | C22 | H34 | H35 | 121.8° | 120.0° |
| C22 | C23 | C24 | H36 | 119.8° | 120.0° |
| C22 | C23 | C24 | H37 | 119.8° | 120.0° |
| C22 | C23 | H36 | H37 | 120.6° | 120.0° |
| C22 | C23 | C24 | C25 | 172.3° | 180.0° |
| C22 | C23 | C24 | H38 | 67.4° | 60.0° |
| C22 | C23 | C24 | H39 | 52.0° | 60.0° |
| H34 | C22 | C23 | C24 | 40.3° | 60.0° |
| H34 | C22 | C23 | H36 | 79.5° | 180.0° |
| H34 | C22 | C23 | H37 | 160.1° | 60.0° |
| H35 | C22 | C23 | C24 | 161.5° | 60.0° |
| H35 | C22 | C23 | H36 | 41.7° | 60.0° |
| H35 | C22 | C23 | H37 | 78.7° | 180.0° |
| C24 | C23 | H36 | H37 | 120.5° | 120.0° |
| C23 | C24 | C25 | H38 | 120.3° | 120.0° |
| C23 | C24 | C25 | H39 | 120.3° | 120.0° |
| C23 | C24 | H38 | H39 | 119.0° | 120.0° |
| C23 | C24 | C25 | C26 | 60.1° | 180.0° |
| C23 | C24 | C25 | H40 | 60.9° | 60.0° |
| C23 | C24 | C25 | H41 | 179.0° | 60.0° |
| H36 | C23 | C24 | C25 | 52.5° | 60.0° |
| H36 | C23 | C24 | H38 | 172.8° | 180.0° |
| H36 | C23 | C24 | H39 | 67.8° | 60.0° |
| H37 | C23 | C24 | C25 | 67.9° | 60.0° |
| H37 | C23 | C24 | H38 | 52.4° | 60.0° |
| H37 | C23 | C24 | H39 | 171.8° | NaN° |
| C25 | C24 | H38 | H39 | 119.1° | 120.0° |
| C24 | C25 | C26 | H40 | 121.0° | 120.0° |
| C24 | C25 | C26 | H41 | 120.9° | 120.0° |
| C24 | C25 | H40 | H41 | 117.1° | 120.0° |
| C24 | C25 | C26 | C31 | 71.9° | 90.0° |
| C24 | C25 | C26 | C27 | 105.7° | 89.7° |
| H38 | C24 | C25 | C26 | 179.6° | 60.0° |
| H38 | C24 | C25 | H40 | 59.4° | 180.0° |
| H38 | C24 | C25 | H41 | 58.7° | 60.0° |
| H39 | C24 | C25 | C26 | 60.2° | 60.0° |
| H39 | C24 | C25 | H40 | 178.8° | 60.0° |
| H39 | C24 | C25 | H41 | 60.7° | 180.0° |
| C26 | C25 | H40 | H41 | 117.1° | 120.0° |
| C25 | C26 | C31 | C27 | 177.7° | 179.7° |
| C25 | C26 | C27 | C28 | 179.5° | 180.0° |
| C25 | C26 | C27 | H42 | 0.6° | 0.0° |
| C25 | C26 | C31 | C30 | 179.4° | 179.8° |
| C25 | C26 | C31 | H46 | 0.6° | 0.0° |
| H40 | C25 | C26 | C31 | 167.1° | 30.0° |
| H40 | C25 | C26 | C27 | 15.2° | 150.2° |
| H41 | C25 | C26 | C31 | 49.0° | 150.0° |
| H41 | C25 | C26 | C27 | 133.3° | 30.2° |
| C31 | C26 | C27 | C28 | 1.8° | 0.3° |
| C31 | C26 | C27 | H42 | 178.2° | 179.8° |
| C26 | C31 | C30 | C29 | 1.7° | 0.4° |
| C26 | C31 | C30 | H46 | 180.0° | 179.8° |
| C26 | C31 | C30 | H45 | 178.3° | 179.7° |
| C26 | C27 | C28 | H42 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 2.1° | 0.0° |
| C26 | C27 | C28 | H43 | 177.9° | 180.0° |
| C27 | C26 | C31 | C30 | 1.7° | 0.5° |
| C27 | C26 | C31 | H46 | 178.3° | 179.7° |
| C27 | C28 | C29 | H43 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 2.1° | 0.0° |
| C27 | C28 | C29 | H44 | 177.9° | 180.0° |
| H42 | C27 | C28 | C29 | 178.0° | 180.0° |
| H42 | C27 | C28 | H43 | 2.0° | 0.0° |
| C28 | C29 | C30 | H44 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.9° | 0.2° |
| C28 | C29 | C30 | H45 | 178.1° | 179.9° |
| H43 | C28 | C29 | C30 | 177.9° | 180.0° |
| H43 | C28 | C29 | H44 | 2.1° | 0.1° |
| C29 | C30 | C31 | H45 | 180.0° | 179.9° |
| C29 | C30 | C31 | H46 | 178.3° | 179.8° |
| H44 | C29 | C30 | C31 | 178.1° | 179.8° |
| H44 | C29 | C30 | H45 | 1.9° | 0.0° |
| H45 | C30 | C31 | H46 | 1.7° | 0.1° |
| N4 | C33 | N5 | C32 | 0.7° | 0.0° |
| N4 | C33 | N5 | H48 | 180.0° | 179.9° |
| C32 | N5 | C33 | H48 | 179.3° | 179.9° |
| H47 | C32 | N5 | C33 | 178.9° | 179.8° |
| C34 | N6 | H49 | C14 | 180.0° | 180.0° |
| N6 | C34 | C35 | C36 | 123.0° | 120.0° |
| N6 | C34 | C35 | H50 | 117.3° | 120.0° |
| N6 | C34 | C36 | H50 | 117.4° | 119.9° |
| N6 | C34 | C35 | O5 | 5.0° | 0.0° |
| N6 | C34 | C36 | O6 | 60.6° | 65.1° |
| N6 | C34 | C36 | H51 | 179.5° | 174.9° |
| N6 | C34 | C36 | H52 | 59.3° | 55.0° |
| N6 | C34 | C35 | N7 | 175.7° | 180.0° |
| H49 | N6 | C34 | C35 | 103.7° | 25.0° |
| H49 | N6 | C34 | C36 | 22.6° | 95.0° |
| H49 | N6 | C34 | H50 | 139.3° | 145.0° |
| C35 | C34 | C36 | H50 | 120.2° | 120.0° |
| C34 | C35 | O5 | N7 | 179.3° | 180.0° |
| C35 | C34 | C36 | O6 | 61.8° | 55.0° |
| C35 | C34 | C36 | H51 | 58.1° | 65.0° |
| C35 | C34 | C36 | H52 | 178.3° | 175.0° |
| C34 | C35 | N7 | C37 | 174.0° | 180.0° |
| C34 | C35 | N7 | H54 | 6.1° | 0.0° |
| C35 | C34 | N6 | C14 | 76.4° | 155.0° |
| C36 | C34 | C35 | O5 | 117.9° | 120.0° |
| C34 | C36 | O6 | H51 | 119.9° | 120.0° |
| C34 | C36 | O6 | H52 | 119.9° | 120.0° |
| C34 | C36 | H51 | H52 | 120.3° | 120.0° |
| C34 | C36 | O6 | H53 | 180.0° | 180.0° |
| C36 | C34 | N6 | C14 | 157.3° | 85.0° |
| C36 | C34 | C35 | N7 | 61.4° | 60.0° |
| H50 | C34 | C35 | O5 | 122.3° | 120.0° |
| H50 | C34 | C36 | O6 | 178.0° | 175.0° |
| H50 | C34 | C36 | H51 | 62.1° | 55.0° |
| H50 | C34 | C36 | H52 | 58.1° | 64.9° |
| H50 | C34 | N6 | C14 | 40.7° | 35.0° |
| H50 | C34 | C35 | N7 | 58.4° | 60.0° |
| O5 | C35 | N7 | C37 | 6.7° | 0.0° |
| O5 | C35 | N7 | H54 | 173.3° | 180.0° |
| O6 | C36 | H51 | H52 | 120.3° | 120.1° |
| H51 | C36 | O6 | H53 | 60.1° | 60.0° |
| H52 | C36 | O6 | H53 | 60.1° | 60.0° |
| C37 | N7 | H54 | C35 | 180.0° | 180.0° |
| N7 | C37 | C38 | C40 | 127.0° | 120.0° |
| N7 | C37 | C38 | H55 | 116.7° | 120.1° |
| N7 | C37 | C40 | H55 | 121.4° | 120.0° |
| N7 | C37 | C38 | C39 | 172.1° | 55.0° |
| N7 | C37 | C38 | O7 | 56.8° | 65.0° |
| N7 | C37 | C38 | H56 | 66.6° | 175.0° |
| N7 | C37 | C40 | O11 | 47.9° | 0.1° |
| N7 | C37 | C40 | N8 | 133.6° | 180.0° |
| H54 | N7 | C37 | C38 | 6.5° | 25.0° |
| H54 | N7 | C37 | C40 | 116.6° | 94.9° |
| H54 | N7 | C37 | H55 | 122.4° | 145.0° |
| C38 | C37 | C40 | H55 | 115.8° | 120.0° |
| C37 | C38 | C39 | O7 | 115.3° | 120.0° |
| C37 | C38 | C39 | H56 | 121.3° | 120.0° |
| C37 | C38 | O7 | H56 | 122.2° | 120.0° |
| C37 | C38 | C39 | H57 | 180.0° | 60.0° |
| C37 | C38 | C39 | H58 | 60.0° | 180.0° |
| C37 | C38 | C39 | H59 | 60.0° | 60.0° |
| C37 | C38 | O7 | P1 | 115.3° | 120.0° |
| C38 | C37 | C40 | O11 | 74.9° | 120.0° |
| C38 | C37 | N7 | C35 | 173.5° | 155.0° |
| C38 | C37 | C40 | N8 | 103.6° | 60.1° |
| C40 | C37 | C38 | C39 | 60.9° | 175.0° |
| C40 | C37 | C38 | O7 | 176.2° | 55.0° |
| C40 | C37 | C38 | H56 | 60.4° | 65.0° |
| C37 | C40 | O11 | N8 | 178.5° | 179.9° |
| C37 | C40 | N8 | H62 | 178.5° | 0.1° |
| C37 | C40 | N8 | H63 | 1.4° | 180.0° |
| C40 | C37 | N7 | C35 | 63.4° | 85.0° |
| H55 | C37 | C38 | C39 | 55.4° | 65.0° |
| H55 | C37 | C38 | O7 | 59.9° | 175.0° |
| H55 | C37 | C38 | H56 | 176.7° | 55.0° |
| H55 | C37 | C40 | O11 | 169.3° | 120.0° |
| H55 | C37 | N7 | C35 | 57.6° | 35.0° |
| H55 | C37 | C40 | N8 | 12.2° | 59.9° |
| C39 | C38 | O7 | H56 | 122.3° | 120.1° |
| C38 | C39 | H57 | H58 | 120.0° | 120.0° |
| C38 | C39 | H57 | H59 | 120.0° | 120.1° |
| C38 | C39 | H58 | H59 | 120.0° | 120.0° |
| C39 | C38 | O7 | P1 | 129.2° | 120.0° |
| O7 | C38 | C39 | H57 | 64.8° | 60.0° |
| O7 | C38 | C39 | H58 | 175.3° | 60.0° |
| O7 | C38 | C39 | H59 | 55.2° | 180.0° |
| C38 | O7 | P1 | O8 | 56.7° | 55.0° |
| C38 | O7 | P1 | O9 | 177.2° | 65.0° |
| C38 | O7 | P1 | O10 | 66.1° | 175.0° |
| H56 | C38 | C39 | H57 | 58.7° | 180.0° |
| H56 | C38 | C39 | H58 | 61.2° | 60.1° |
| H56 | C38 | C39 | H59 | 178.7° | 59.9° |
| H56 | C38 | O7 | P1 | 6.9° | 0.0° |
| H57 | C39 | H58 | H59 | 119.9° | 120.0° |
| O7 | P1 | O8 | O9 | 111.7° | 120.0° |
| O7 | P1 | O8 | O10 | 117.4° | 120.0° |
| O7 | P1 | O9 | O10 | 113.1° | 120.0° |
| O7 | P1 | O9 | H60 | 114.3° | 59.9° |
| O7 | P1 | O10 | H61 | 117.2° | 180.0° |
| O8 | P1 | O9 | O10 | 132.5° | 120.0° |
| O8 | P1 | O9 | H60 | 0.0° | 180.0° |
| O8 | P1 | O10 | H61 | 0.0° | 60.0° |
| O9 | P1 | O10 | H61 | 132.6° | 60.0° |
| O10 | P1 | O9 | H60 | 132.5° | 60.1° |
| O11 | C40 | N8 | H62 | 0.0° | 180.0° |
| O11 | C40 | N8 | H63 | 180.0° | 0.1° |
| H62 | N8 | H63 | C40 | 180.0° | 179.9° |
