PRD_002360
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.45Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.46Å | |
| C5 | O2 | doub | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å | |
| N3 | C15 | sing | 1.47Å | 1.46Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | O4 | doub | 1.21Å | 1.23Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.46Å | 1.46Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | O5 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | N5 | sing | 1.47Å | 1.46Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | C24 | sing | 1.37Å | 1.34Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C24 | N6 | sing | 1.33Å | 1.26Å | |
| C24 | N7 | doub | 1.33Å | 1.34Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| N7 | H39 | sing | 0.97Å | 1.00Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | N9 | sing | 1.46Å | 1.44Å | |
| N9 | C25 | sing | 1.35Å | 1.33Å | |
| C25 | S1 | doub | 1.60Å | 1.57Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C30 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| N9 | H67 | sing | 0.97Å | 1.00Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C16 | N4 | sing | 1.35Å | 1.34Å | |
| C20 | N8 | sing | 1.35Å | 1.33Å | |
| N2 | C25 | sing | 1.40Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.6° | 109.5° |
| C1 | O1 | C5 | 123.5° | 117.0° |
| O1 | C1 | H1 | 109.2° | 109.4° |
| O1 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | C8 | 120.7° | 120.0° |
| C1 | C2 | C6 | 119.2° | 120.0° |
| C2 | C1 | H1 | 109.2° | 109.5° |
| C2 | C1 | H2 | 109.2° | 109.4° |
| C8 | C2 | C6 | 120.1° | 120.0° |
| C2 | C8 | C4 | 119.9° | 120.0° |
| C2 | C8 | H7 | 120.0° | 120.0° |
| C2 | C6 | C3 | 119.9° | 120.0° |
| C2 | C6 | H5 | 120.1° | 120.0° |
| C7 | C3 | C6 | 120.0° | 120.0° |
| C3 | C7 | C4 | 120.1° | 120.0° |
| C7 | C3 | H3 | 120.0° | 120.0° |
| C3 | C7 | H6 | 119.9° | 120.0° |
| C6 | C3 | H3 | 120.0° | 120.0° |
| C3 | C6 | H5 | 120.1° | 120.1° |
| C8 | C4 | C7 | 120.0° | 120.1° |
| C8 | C4 | H4 | 120.0° | 120.0° |
| C4 | C8 | H7 | 120.0° | 120.0° |
| C7 | C4 | H4 | 120.0° | 119.9° |
| C4 | C7 | H6 | 120.0° | 120.0° |
| O1 | C5 | O2 | 115.9° | 120.0° |
| O1 | C5 | N1 | 120.3° | 120.0° |
| O2 | C5 | N1 | 123.7° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| C9 | N1 | H8 | 116.1° | 120.0° |
| N1 | C9 | C10 | 108.1° | 109.5° |
| N1 | C9 | C11 | 109.9° | 109.5° |
| N1 | C9 | H9 | 109.4° | 109.5° |
| C9 | N1 | C5 | 127.7° | 119.9° |
| H8 | N1 | C5 | 116.2° | 120.0° |
| C10 | C9 | C11 | 112.3° | 109.5° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C9 | C10 | O3 | 120.7° | 120.0° |
| C9 | C10 | N3 | 115.7° | 120.0° |
| C11 | C9 | H9 | 108.3° | 109.4° |
| C9 | C11 | C12 | 116.7° | 109.5° |
| C9 | C11 | H10 | 107.6° | 109.5° |
| C9 | C11 | H11 | 107.6° | 109.5° |
| O3 | C10 | N3 | 123.6° | 120.0° |
| C12 | C11 | H10 | 107.7° | 109.4° |
| C12 | C11 | H11 | 107.6° | 109.5° |
| C11 | C12 | C13 | 111.2° | 109.5° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| C11 | C12 | H13 | 109.0° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| C13 | C12 | H12 | 109.1° | 109.5° |
| C13 | C12 | H13 | 109.0° | 109.5° |
| C12 | C13 | C14 | 114.4° | 109.5° |
| C12 | C13 | H14 | 108.2° | 109.4° |
| C12 | C13 | H15 | 108.3° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| C14 | C13 | H14 | 108.3° | 109.5° |
| C14 | C13 | H15 | 108.2° | 109.5° |
| C13 | C14 | N2 | 113.8° | 109.4° |
| C13 | C14 | H16 | 108.4° | 109.5° |
| C13 | C14 | H17 | 108.4° | 109.5° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| N2 | C14 | H16 | 108.4° | 109.5° |
| N2 | C14 | H17 | 108.4° | 109.4° |
| C14 | N2 | H18 | 105.4° | 109.5° |
| C14 | N2 | H19 | 105.4° | 109.4° |
| C14 | N2 | C25 | 125.1° | 109.5° |
| H16 | C14 | H17 | 109.4° | 109.5° |
| H18 | N2 | H19 | 109.4° | 109.4° |
| H18 | N2 | C25 | 105.4° | 109.5° |
| H19 | N2 | C25 | 105.4° | 109.5° |
| C15 | N3 | H20 | 115.8° | 120.0° |
| N3 | C15 | C16 | 106.6° | 109.5° |
| N3 | C15 | C17 | 110.5° | 109.4° |
| N3 | C15 | C18 | 112.1° | 109.5° |
| C15 | N3 | C10 | 128.5° | 120.0° |
| H20 | N3 | C10 | 115.8° | 120.0° |
| C16 | C15 | C17 | 110.3° | 109.5° |
| C16 | C15 | C18 | 109.2° | 109.5° |
| C15 | C16 | O4 | 119.4° | 120.0° |
| C15 | C16 | N4 | 118.3° | 120.0° |
| C17 | C15 | C18 | 108.0° | 109.5° |
| C15 | C17 | H21 | 109.5° | 109.5° |
| C15 | C17 | H22 | 109.5° | 109.4° |
| C15 | C17 | H23 | 109.5° | 109.5° |
| C15 | C18 | H24 | 109.5° | 109.4° |
| C15 | C18 | H25 | 109.5° | 109.5° |
| C15 | C18 | H26 | 109.5° | 109.5° |
| O4 | C16 | N4 | 122.2° | 120.0° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H23 | 109.4° | 109.4° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H24 | C18 | H26 | 109.4° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| C19 | N4 | H27 | 116.8° | 120.0° |
| N4 | C19 | C20 | 115.8° | 109.5° |
| N4 | C19 | C21 | 109.4° | 109.5° |
| N4 | C19 | H28 | 106.2° | 109.5° |
| C19 | N4 | C16 | 126.4° | 120.0° |
| H27 | N4 | C16 | 116.8° | 120.0° |
| C20 | C19 | C21 | 113.5° | 109.5° |
| C20 | C19 | H28 | 105.6° | 109.5° |
| C19 | C20 | O5 | 121.0° | 120.0° |
| C19 | C20 | N8 | 118.5° | 120.0° |
| C21 | C19 | H28 | 105.4° | 109.5° |
| C19 | C21 | C22 | 111.7° | 109.5° |
| C19 | C21 | H29 | 108.9° | 109.5° |
| C19 | C21 | H30 | 108.9° | 109.5° |
| O5 | C20 | N8 | 120.5° | 120.0° |
| C22 | C21 | H29 | 108.9° | 109.5° |
| C22 | C21 | H30 | 108.9° | 109.5° |
| C21 | C22 | C23 | 114.0° | 109.5° |
| C21 | C22 | H31 | 108.3° | 109.5° |
| C21 | C22 | H32 | 108.3° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| C23 | C22 | H31 | 108.3° | 109.5° |
| C23 | C22 | H32 | 108.3° | 109.4° |
| C22 | C23 | N5 | 113.6° | 109.5° |
| C22 | C23 | H33 | 108.4° | 109.5° |
| C22 | C23 | H34 | 108.4° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.4° |
| N5 | C23 | H33 | 108.4° | 109.5° |
| N5 | C23 | H34 | 108.4° | 109.4° |
| C23 | N5 | C24 | 125.8° | 120.0° |
| C23 | N5 | H35 | 117.1° | 120.0° |
| H33 | C23 | H34 | 109.5° | 109.4° |
| C24 | N5 | H35 | 117.1° | 120.0° |
| N5 | C24 | N6 | 119.0° | 120.0° |
| N5 | C24 | N7 | 122.3° | 120.0° |
| N6 | C24 | N7 | 118.7° | 120.0° |
| C24 | N6 | H36 | 120.0° | 120.0° |
| C24 | N6 | H37 | 120.0° | 119.9° |
| C24 | N7 | H38 | 120.0° | 120.0° |
| C24 | N7 | H39 | 120.0° | 120.0° |
| H36 | N6 | H37 | 120.0° | 120.0° |
| H38 | N7 | H39 | 120.0° | 120.0° |
| H40 | N8 | H41 | 120.0° | 120.0° |
| H40 | N8 | C20 | 120.0° | 120.0° |
| H41 | N8 | C20 | 120.0° | 120.0° |
| C34 | C33 | C32 | 110.9° | 109.4° |
| C33 | C34 | C35 | 112.8° | 109.4° |
| C34 | C33 | H56 | 109.1° | 109.4° |
| C34 | C33 | H57 | 109.1° | 109.5° |
| C33 | C34 | H58 | 108.6° | 109.4° |
| C33 | C34 | H59 | 108.6° | 109.4° |
| C33 | C32 | C31 | 112.6° | 109.4° |
| C33 | C32 | H54 | 108.7° | 109.5° |
| C33 | C32 | H55 | 108.7° | 109.5° |
| C32 | C33 | H56 | 109.1° | 109.5° |
| C32 | C33 | H57 | 109.1° | 109.5° |
| C34 | C35 | C36 | 111.0° | 109.4° |
| C35 | C34 | H58 | 108.6° | 109.5° |
| C35 | C34 | H59 | 108.6° | 109.4° |
| C34 | C35 | H60 | 109.1° | 109.5° |
| C34 | C35 | H61 | 109.1° | 109.4° |
| C35 | C36 | C37 | 113.3° | 109.4° |
| C36 | C35 | H60 | 109.1° | 109.5° |
| C36 | C35 | H61 | 109.1° | 109.5° |
| C35 | C36 | H62 | 108.5° | 109.5° |
| C35 | C36 | H63 | 108.5° | 109.5° |
| C32 | C31 | C30 | 109.2° | 109.4° |
| C32 | C31 | H52 | 109.5° | 109.5° |
| C32 | C31 | H53 | 109.5° | 109.5° |
| C31 | C32 | H54 | 108.7° | 109.5° |
| C31 | C32 | H55 | 108.7° | 109.5° |
| C31 | C30 | C29 | 114.5° | 109.4° |
| C31 | C30 | H50 | 108.2° | 109.5° |
| C31 | C30 | H51 | 108.2° | 109.5° |
| C30 | C31 | H52 | 109.5° | 109.5° |
| C30 | C31 | H53 | 109.5° | 109.5° |
| C37 | C36 | H62 | 108.5° | 109.5° |
| C37 | C36 | H63 | 108.5° | 109.5° |
| C36 | C37 | H64 | 109.5° | 109.5° |
| C36 | C37 | H65 | 109.5° | 109.5° |
| C36 | C37 | H66 | 109.5° | 109.5° |
| C30 | C29 | C28 | 113.8° | 109.4° |
| C30 | C29 | H48 | 108.4° | 109.5° |
| C30 | C29 | H49 | 108.4° | 109.5° |
| C29 | C30 | H50 | 108.2° | 109.5° |
| C29 | C30 | H51 | 108.2° | 109.5° |
| C29 | C28 | C27 | 114.2° | 109.4° |
| C29 | C28 | H46 | 108.3° | 109.5° |
| C29 | C28 | H47 | 108.3° | 109.4° |
| C28 | C29 | H48 | 108.4° | 109.5° |
| C28 | C29 | H49 | 108.4° | 109.4° |
| C28 | C27 | C26 | 109.7° | 109.4° |
| C28 | C27 | H44 | 109.4° | 109.5° |
| C28 | C27 | H45 | 109.4° | 109.5° |
| C27 | C28 | H46 | 108.3° | 109.5° |
| C27 | C28 | H47 | 108.3° | 109.5° |
| C27 | C26 | N9 | 109.3° | 109.5° |
| C27 | C26 | H42 | 109.5° | 109.5° |
| C27 | C26 | H43 | 109.5° | 109.5° |
| C26 | C27 | H44 | 109.4° | 109.5° |
| C26 | C27 | H45 | 109.4° | 109.5° |
| C26 | N9 | C25 | 123.0° | 120.0° |
| N9 | C26 | H42 | 109.5° | 109.5° |
| N9 | C26 | H43 | 109.5° | 109.5° |
| C26 | N9 | H67 | 118.5° | 120.0° |
| N9 | C25 | S1 | 116.3° | 120.0° |
| C25 | N9 | H67 | 118.5° | 120.0° |
| N9 | C25 | N2 | 121.5° | 120.0° |
| S1 | C25 | N2 | 122.2° | 120.0° |
| H42 | C26 | H43 | 109.4° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.5° |
| H46 | C28 | H47 | 109.4° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.5° |
| H50 | C30 | H51 | 109.5° | 109.5° |
| H52 | C31 | H53 | 109.5° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.4° | 109.5° |
| H58 | C34 | H59 | 109.4° | 109.5° |
| H60 | C35 | H61 | 109.4° | 109.5° |
| H62 | C36 | H63 | 109.5° | 109.5° |
| H64 | C37 | H65 | 109.5° | 109.5° |
| H64 | C37 | H66 | 109.5° | 109.5° |
| H65 | C37 | H66 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 120.2° | 120.0° |
| O1 | C1 | C2 | H2 | 120.1° | 120.0° |
| O1 | C1 | C2 | C8 | 31.3° | 90.0° |
| O1 | C1 | C2 | C6 | 149.3° | 89.7° |
| C1 | O1 | C5 | O2 | 168.2° | 0.1° |
| O1 | C1 | H1 | H2 | 119.5° | 120.0° |
| C1 | O1 | C5 | N1 | 14.6° | 180.0° |
| C1 | C2 | C8 | C6 | 179.4° | 179.7° |
| C1 | C2 | C6 | C3 | 179.5° | 180.0° |
| C1 | C2 | C8 | C4 | 179.4° | 180.0° |
| C2 | C1 | O1 | C5 | 103.2° | 179.9° |
| C2 | C1 | H1 | H2 | 119.5° | 120.0° |
| C1 | C2 | C6 | H5 | 0.5° | 0.1° |
| C1 | C2 | C8 | H7 | 0.6° | 0.1° |
| C8 | C2 | C6 | C3 | 0.1° | 0.2° |
| C2 | C8 | C4 | H7 | 180.0° | 179.9° |
| C2 | C8 | C4 | C7 | 0.2° | 0.0° |
| C8 | C2 | C1 | H1 | 151.5° | 150.0° |
| C8 | C2 | C1 | H2 | 88.9° | 30.0° |
| C2 | C8 | C4 | H4 | 179.8° | 179.9° |
| C8 | C2 | C6 | H5 | 179.9° | 179.8° |
| C2 | C6 | C3 | C7 | 0.4° | 0.1° |
| C2 | C6 | C3 | H5 | 180.0° | 180.0° |
| C6 | C2 | C8 | C4 | 0.0° | 0.2° |
| C6 | C2 | C1 | H1 | 29.1° | 30.3° |
| C6 | C2 | C1 | H2 | 90.6° | 150.3° |
| C2 | C6 | C3 | H3 | 179.6° | 179.7° |
| C6 | C2 | C8 | H7 | 180.0° | 179.6° |
| C7 | C3 | C6 | H3 | 180.0° | 179.6° |
| C3 | C7 | C4 | C8 | 0.6° | 0.3° |
| C3 | C7 | C4 | H6 | 180.0° | 179.6° |
| C3 | C7 | C4 | H4 | 179.5° | 179.7° |
| C7 | C3 | C6 | H5 | 179.6° | 179.9° |
| C6 | C3 | C7 | C4 | 0.6° | 0.3° |
| C6 | C3 | C7 | H6 | 179.4° | 180.0° |
| C8 | C4 | C7 | H4 | 180.0° | 180.0° |
| C8 | C4 | C7 | H6 | 179.4° | 180.0° |
| C4 | C7 | C3 | H3 | 179.3° | 180.0° |
| C7 | C4 | C8 | H7 | 179.8° | 179.9° |
| O1 | C5 | O2 | N1 | 177.1° | 179.9° |
| C5 | O1 | C1 | H1 | 136.6° | 60.0° |
| C5 | O1 | C1 | H2 | 16.9° | 60.0° |
| O1 | C5 | N1 | C9 | 117.6° | 180.0° |
| O1 | C5 | N1 | H8 | 62.4° | 0.0° |
| O2 | C5 | N1 | C9 | 65.5° | 0.0° |
| O2 | C5 | N1 | H8 | 114.5° | 180.0° |
| H3 | C3 | C6 | H5 | 0.5° | 0.3° |
| H3 | C3 | C7 | H6 | 0.7° | 0.4° |
| H4 | C4 | C7 | H6 | 0.5° | 0.0° |
| H4 | C4 | C8 | H7 | 0.2° | 0.1° |
| C9 | N1 | H8 | C5 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 121.4° | 120.0° |
| N1 | C9 | C10 | H9 | 118.7° | 120.0° |
| N1 | C9 | C11 | H9 | 119.5° | 120.0° |
| N1 | C9 | C10 | O3 | 48.6° | 20.0° |
| N1 | C9 | C11 | C12 | 177.1° | 65.0° |
| N1 | C9 | C11 | H10 | 56.1° | 55.0° |
| N1 | C9 | C11 | H11 | 61.8° | 175.0° |
| N1 | C9 | C10 | N3 | 129.8° | 160.0° |
| H8 | N1 | C9 | C10 | 47.0° | 120.0° |
| H8 | N1 | C9 | C11 | 75.9° | 120.0° |
| H8 | N1 | C9 | H9 | 165.3° | 0.0° |
| C10 | C9 | C11 | H9 | 120.1° | 120.0° |
| C9 | C10 | O3 | N3 | 178.3° | 179.9° |
| C10 | C9 | C11 | C12 | 62.5° | 175.0° |
| C10 | C9 | C11 | H10 | 176.5° | 65.0° |
| C10 | C9 | C11 | H11 | 58.6° | 55.0° |
| C9 | C10 | N3 | C15 | 157.8° | 180.0° |
| C9 | C10 | N3 | H20 | 22.2° | 0.0° |
| C10 | C9 | N1 | C5 | 133.0° | 60.0° |
| C11 | C9 | C10 | O3 | 72.9° | 100.1° |
| C9 | C11 | C12 | H10 | 121.0° | 120.0° |
| C9 | C11 | C12 | H11 | 121.0° | 120.0° |
| C9 | C11 | H10 | H11 | 116.7° | 120.0° |
| C9 | C11 | C12 | C13 | 158.0° | 180.0° |
| C9 | C11 | C12 | H12 | 37.7° | 60.0° |
| C9 | C11 | C12 | H13 | 81.7° | 60.0° |
| C11 | C9 | N1 | C5 | 104.1° | 60.0° |
| C11 | C9 | C10 | N3 | 108.8° | 80.0° |
| H9 | C9 | C10 | O3 | 167.3° | 140.0° |
| H9 | C9 | C11 | C12 | 57.6° | 55.0° |
| H9 | C9 | C11 | H10 | 63.4° | 175.0° |
| H9 | C9 | C11 | H11 | 178.7° | 65.0° |
| H9 | C9 | N1 | C5 | 14.7° | 180.0° |
| H9 | C9 | C10 | N3 | 11.1° | 39.9° |
| O3 | C10 | N3 | C15 | 23.9° | 0.0° |
| O3 | C10 | N3 | H20 | 156.2° | 179.9° |
| C12 | C11 | H10 | H11 | 116.7° | 120.0° |
| C11 | C12 | C13 | H12 | 120.3° | 120.0° |
| C11 | C12 | C13 | H13 | 120.2° | 120.0° |
| C11 | C12 | H12 | H13 | 119.2° | 120.0° |
| C11 | C12 | C13 | C14 | 124.6° | 180.0° |
| C11 | C12 | C13 | H14 | 3.8° | 60.0° |
| C11 | C12 | C13 | H15 | 114.7° | 60.0° |
| H10 | C11 | C12 | C13 | 81.0° | 60.0° |
| H10 | C11 | C12 | H12 | 158.8° | 180.0° |
| H10 | C11 | C12 | H13 | 39.3° | 60.0° |
| H11 | C11 | C12 | C13 | 37.0° | 60.0° |
| H11 | C11 | C12 | H12 | 83.3° | 60.1° |
| H11 | C11 | C12 | H13 | 157.2° | 180.0° |
| C13 | C12 | H12 | H13 | 119.2° | 120.0° |
| C12 | C13 | C14 | H14 | 120.7° | 119.9° |
| C12 | C13 | C14 | H15 | 120.7° | 120.0° |
| C12 | C13 | H14 | H15 | 117.8° | 120.0° |
| C12 | C13 | C14 | N2 | 151.1° | 180.0° |
| C12 | C13 | C14 | H16 | 30.4° | 60.0° |
| C12 | C13 | C14 | H17 | 88.2° | 60.0° |
| H12 | C12 | C13 | C14 | 115.2° | 60.0° |
| H12 | C12 | C13 | H14 | 124.1° | 180.0° |
| H12 | C12 | C13 | H15 | 5.6° | 60.0° |
| H13 | C12 | C13 | C14 | 4.3° | 60.0° |
| H13 | C12 | C13 | H14 | 116.4° | 60.0° |
| H13 | C12 | C13 | H15 | 125.0° | 180.0° |
| C14 | C13 | H14 | H15 | 117.8° | 120.1° |
| C13 | C14 | N2 | H16 | 120.7° | 120.0° |
| C13 | C14 | N2 | H17 | 120.6° | 119.9° |
| C13 | C14 | H16 | H17 | 118.0° | 120.0° |
| C13 | C14 | N2 | H18 | 98.0° | 60.0° |
| C13 | C14 | N2 | H19 | 17.8° | 60.0° |
| C13 | C14 | N2 | C25 | 139.9° | 180.0° |
| H14 | C13 | C14 | N2 | 88.2° | 60.0° |
| H14 | C13 | C14 | H16 | 151.2° | 180.0° |
| H14 | C13 | C14 | H17 | 32.5° | 59.9° |
| H15 | C13 | C14 | N2 | 30.4° | 60.0° |
| H15 | C13 | C14 | H16 | 90.3° | 60.0° |
| H15 | C13 | C14 | H17 | 151.0° | 179.9° |
| N2 | C14 | H16 | H17 | 118.0° | 120.0° |
| C14 | N2 | H18 | H19 | 112.9° | 120.0° |
| C14 | N2 | H18 | C25 | 134.1° | 120.1° |
| C14 | N2 | H19 | C25 | 134.1° | 120.0° |
| C14 | N2 | C25 | N9 | 128.9° | 180.0° |
| C14 | N2 | C25 | S1 | 51.8° | 0.0° |
| H16 | C14 | N2 | H18 | 141.4° | 180.0° |
| H16 | C14 | N2 | H19 | 102.9° | 60.0° |
| H16 | C14 | N2 | C25 | 19.3° | 60.0° |
| H17 | C14 | N2 | H18 | 22.7° | 60.0° |
| H17 | C14 | N2 | H19 | 138.4° | 179.9° |
| H17 | C14 | N2 | C25 | 99.4° | 60.1° |
| H18 | N2 | H19 | C25 | 113.0° | 120.0° |
| H18 | N2 | C25 | N9 | 6.8° | 59.9° |
| H18 | N2 | C25 | S1 | 173.9° | 120.0° |
| H19 | N2 | C25 | N9 | 109.0° | 60.0° |
| H19 | N2 | C25 | S1 | 70.4° | 120.0° |
| C15 | N3 | H20 | C10 | 180.0° | 180.0° |
| N3 | C15 | C16 | C17 | 120.1° | 120.0° |
| N3 | C15 | C16 | C18 | 121.4° | 120.0° |
| N3 | C15 | C17 | C18 | 123.0° | 120.0° |
| N3 | C15 | C16 | O4 | 32.7° | 145.0° |
| N3 | C15 | C17 | H21 | 180.0° | 60.0° |
| N3 | C15 | C17 | H22 | 60.0° | 180.0° |
| N3 | C15 | C17 | H23 | 60.0° | 60.0° |
| N3 | C15 | C18 | H24 | 180.0° | 60.0° |
| N3 | C15 | C18 | H25 | 60.0° | 180.0° |
| N3 | C15 | C18 | H26 | 60.0° | 60.0° |
| N3 | C15 | C16 | N4 | 145.3° | 35.0° |
| H20 | N3 | C15 | C16 | 26.8° | 0.0° |
| H20 | N3 | C15 | C17 | 93.1° | 120.1° |
| H20 | N3 | C15 | C18 | 146.4° | 120.0° |
| C16 | C15 | C17 | C18 | 119.3° | 120.0° |
| C15 | C16 | O4 | N4 | 177.8° | 180.0° |
| C16 | C15 | C17 | H21 | 62.3° | 180.0° |
| C16 | C15 | C17 | H22 | 177.7° | 60.0° |
| C16 | C15 | C17 | H23 | 57.7° | 60.0° |
| C16 | C15 | C18 | H24 | 62.0° | 60.0° |
| C16 | C15 | C18 | H25 | 58.0° | 60.0° |
| C16 | C15 | C18 | H26 | 178.0° | 180.0° |
| C15 | C16 | N4 | C19 | 111.3° | 180.0° |
| C15 | C16 | N4 | H27 | 68.7° | 0.0° |
| C16 | C15 | N3 | C10 | 153.1° | 180.0° |
| C17 | C15 | C16 | O4 | 87.4° | 25.0° |
| C15 | C17 | H21 | H22 | 120.0° | 120.0° |
| C15 | C17 | H21 | H23 | 120.0° | 120.0° |
| C15 | C17 | H22 | H23 | 120.0° | 120.0° |
| C17 | C15 | C18 | H24 | 58.0° | 179.9° |
| C17 | C15 | C18 | H25 | 178.0° | 60.0° |
| C17 | C15 | C18 | H26 | 62.0° | 60.0° |
| C17 | C15 | N3 | C10 | 86.9° | 60.0° |
| C17 | C15 | C16 | N4 | 94.7° | 155.0° |
| C18 | C15 | C16 | O4 | 154.0° | 95.0° |
| C18 | C15 | C17 | H21 | 57.1° | 60.0° |
| C18 | C15 | C17 | H22 | 63.0° | 60.0° |
| C18 | C15 | C17 | H23 | 177.0° | 180.0° |
| C15 | C18 | H24 | H25 | 120.0° | 120.0° |
| C15 | C18 | H24 | H26 | 120.0° | 120.0° |
| C15 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C15 | N3 | C10 | 33.6° | 60.0° |
| C18 | C15 | C16 | N4 | 23.9° | 85.0° |
| O4 | C16 | N4 | C19 | 70.9° | 0.0° |
| O4 | C16 | N4 | H27 | 109.1° | 180.0° |
| H21 | C17 | H22 | H23 | 119.9° | 119.9° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| C19 | N4 | H27 | C16 | 180.0° | 180.0° |
| N4 | C19 | C20 | C21 | 127.8° | 120.0° |
| N4 | C19 | C20 | H28 | 117.2° | 120.1° |
| N4 | C19 | C21 | H28 | 113.8° | 120.0° |
| N4 | C19 | C20 | O5 | 101.0° | 0.0° |
| N4 | C19 | C21 | C22 | 135.9° | 65.0° |
| N4 | C19 | C21 | H29 | 15.5° | 55.0° |
| N4 | C19 | C21 | H30 | 103.8° | 175.0° |
| N4 | C19 | C20 | N8 | 78.9° | 180.0° |
| H27 | N4 | C19 | C20 | 143.9° | 95.0° |
| H27 | N4 | C19 | C21 | 86.3° | 25.0° |
| H27 | N4 | C19 | H28 | 27.0° | 145.0° |
| C20 | C19 | C21 | H28 | 115.1° | 120.0° |
| C19 | C20 | O5 | N8 | 179.9° | 180.0° |
| C20 | C19 | C21 | C22 | 93.1° | 175.0° |
| C20 | C19 | C21 | H29 | 146.6° | 65.0° |
| C20 | C19 | C21 | H30 | 27.3° | 55.0° |
| C19 | C20 | N8 | H40 | 179.9° | 0.0° |
| C19 | C20 | N8 | H41 | 0.1° | 180.0° |
| C20 | C19 | N4 | C16 | 36.1° | 85.0° |
| C21 | C19 | C20 | O5 | 26.8° | 120.0° |
| C19 | C21 | C22 | H29 | 120.3° | 120.0° |
| C19 | C21 | C22 | H30 | 120.3° | 120.0° |
| C19 | C21 | H29 | H30 | 119.0° | 120.0° |
| C19 | C21 | C22 | C23 | 62.5° | 180.0° |
| C19 | C21 | C22 | H31 | 176.9° | 60.0° |
| C19 | C21 | C22 | H32 | 58.2° | 60.0° |
| C21 | C19 | N4 | C16 | 93.7° | 155.0° |
| C21 | C19 | C20 | N8 | 153.2° | 60.0° |
| H28 | C19 | C20 | O5 | 141.8° | 120.0° |
| H28 | C19 | C21 | C22 | 22.0° | 55.0° |
| H28 | C19 | C21 | H29 | 98.3° | 175.0° |
| H28 | C19 | C21 | H30 | 142.4° | 65.0° |
| H28 | C19 | N4 | C16 | 153.0° | 35.0° |
| H28 | C19 | C20 | N8 | 38.3° | 60.0° |
| O5 | C20 | N8 | H40 | 0.0° | 180.0° |
| O5 | C20 | N8 | H41 | 180.0° | 0.0° |
| C22 | C21 | H29 | H30 | 119.0° | 120.0° |
| C21 | C22 | C23 | H31 | 120.7° | 120.1° |
| C21 | C22 | C23 | H32 | 120.7° | 120.0° |
| C21 | C22 | H31 | H32 | 118.0° | 120.1° |
| C21 | C22 | C23 | N5 | 76.4° | 180.0° |
| C21 | C22 | C23 | H33 | 44.2° | 60.0° |
| C21 | C22 | C23 | H34 | 163.0° | 60.0° |
| H29 | C21 | C22 | C23 | 57.9° | 60.0° |
| H29 | C21 | C22 | H31 | 62.8° | 180.0° |
| H29 | C21 | C22 | H32 | 178.5° | 60.0° |
| H30 | C21 | C22 | C23 | 177.2° | 60.0° |
| H30 | C21 | C22 | H31 | 56.5° | 60.0° |
| H30 | C21 | C22 | H32 | 62.2° | 180.0° |
| C23 | C22 | H31 | H32 | 117.9° | 119.9° |
| C22 | C23 | N5 | H33 | 120.6° | 120.1° |
| C22 | C23 | N5 | H34 | 120.6° | 120.0° |
| C22 | C23 | H33 | H34 | 118.1° | 120.0° |
| C22 | C23 | N5 | C24 | 75.9° | 180.0° |
| C22 | C23 | N5 | H35 | 104.1° | 0.0° |
| H31 | C22 | C23 | N5 | 162.9° | 59.9° |
| H31 | C22 | C23 | H33 | 76.5° | 180.0° |
| H31 | C22 | C23 | H34 | 42.3° | 60.0° |
| H32 | C22 | C23 | N5 | 44.2° | 60.0° |
| H32 | C22 | C23 | H33 | 164.8° | 60.1° |
| H32 | C22 | C23 | H34 | 76.4° | 180.0° |
| N5 | C23 | H33 | H34 | 118.1° | 119.9° |
| C23 | N5 | C24 | H35 | 180.0° | 180.0° |
| C23 | N5 | C24 | N6 | 158.0° | 0.1° |
| C23 | N5 | C24 | N7 | 22.4° | 180.0° |
| H33 | C23 | N5 | C24 | 163.5° | 59.9° |
| H33 | C23 | N5 | H35 | 16.5° | 120.0° |
| H34 | C23 | N5 | C24 | 44.7° | 60.0° |
| H34 | C23 | N5 | H35 | 135.3° | 120.0° |
| N5 | C24 | N6 | N7 | 179.7° | 179.9° |
| N5 | C24 | N6 | H36 | 179.7° | 0.0° |
| N5 | C24 | N6 | H37 | 0.3° | 180.0° |
| N5 | C24 | N7 | H38 | 179.7° | 0.0° |
| N5 | C24 | N7 | H39 | 0.3° | 180.0° |
| H35 | N5 | C24 | N6 | 22.0° | 180.0° |
| H35 | N5 | C24 | N7 | 157.7° | 0.0° |
| C24 | N6 | H36 | H37 | 180.0° | 180.0° |
| N6 | C24 | N7 | H38 | 0.0° | 180.0° |
| N6 | C24 | N7 | H39 | 180.0° | 0.1° |
| N7 | C24 | N6 | H36 | 0.0° | 180.0° |
| N7 | C24 | N6 | H37 | 180.0° | 0.1° |
| C24 | N7 | H38 | H39 | 180.0° | 180.0° |
| H40 | N8 | H41 | C20 | 180.0° | 180.0° |
| C34 | C33 | C32 | H56 | 120.2° | 119.9° |
| C34 | C33 | C32 | H57 | 120.2° | 120.0° |
| C33 | C34 | C35 | H58 | 120.5° | 120.0° |
| C33 | C34 | C35 | H59 | 120.5° | 119.9° |
| C33 | C34 | C35 | C36 | 171.3° | 180.0° |
| C34 | C33 | C32 | C31 | 112.9° | 180.0° |
| C34 | C33 | C32 | H54 | 7.5° | 60.0° |
| C34 | C33 | C32 | H55 | 126.6° | 60.0° |
| C34 | C33 | H56 | H57 | 119.3° | 120.0° |
| C33 | C34 | H58 | H59 | 118.5° | 120.0° |
| C33 | C34 | C35 | H60 | 51.0° | 60.0° |
| C33 | C34 | C35 | H61 | 68.5° | 60.1° |
| C32 | C33 | C34 | C35 | 115.6° | 180.0° |
| C33 | C32 | C31 | H54 | 120.5° | 120.0° |
| C33 | C32 | C31 | H55 | 120.5° | 120.0° |
| C33 | C32 | C31 | C30 | 151.0° | 180.0° |
| C33 | C32 | C31 | H52 | 31.0° | 60.0° |
| C33 | C32 | C31 | H53 | 89.0° | 60.0° |
| C33 | C32 | H54 | H55 | 118.6° | 120.0° |
| C32 | C33 | H56 | H57 | 119.3° | 120.0° |
| C32 | C33 | C34 | H58 | 5.0° | 60.0° |
| C32 | C33 | C34 | H59 | 123.9° | 60.0° |
| C34 | C35 | C36 | H60 | 120.3° | 120.0° |
| C34 | C35 | C36 | H61 | 120.3° | 119.9° |
| C34 | C35 | C36 | C37 | 118.7° | 180.0° |
| C35 | C34 | C33 | H56 | 4.7° | 60.0° |
| C35 | C34 | C33 | H57 | 124.2° | 60.1° |
| C35 | C34 | H58 | H59 | 118.5° | 120.0° |
| C34 | C35 | H60 | H61 | 119.3° | 120.0° |
| C34 | C35 | C36 | H62 | 1.8° | 60.0° |
| C34 | C35 | C36 | H63 | 120.7° | 60.1° |
| C35 | C36 | C37 | H62 | 120.5° | 120.0° |
| C35 | C36 | C37 | H63 | 120.6° | 120.0° |
| C36 | C35 | C34 | H58 | 68.2° | 60.0° |
| C36 | C35 | C34 | H59 | 50.8° | 60.1° |
| C36 | C35 | H60 | H61 | 119.3° | 120.0° |
| C35 | C36 | H62 | H63 | 118.3° | 120.0° |
| C35 | C36 | C37 | H64 | 180.0° | 60.0° |
| C35 | C36 | C37 | H65 | 60.0° | 60.0° |
| C35 | C36 | C37 | H66 | 60.0° | 180.0° |
| C32 | C31 | C30 | H52 | 120.0° | 120.0° |
| C32 | C31 | C30 | H53 | 119.9° | 120.0° |
| C32 | C31 | C30 | C29 | 144.8° | 180.0° |
| C32 | C31 | C30 | H50 | 24.0° | 60.0° |
| C32 | C31 | C30 | H51 | 94.5° | 60.0° |
| C32 | C31 | H52 | H53 | 120.1° | 120.0° |
| C31 | C32 | H54 | H55 | 118.6° | 120.0° |
| C31 | C32 | C33 | H56 | 126.8° | 60.1° |
| C31 | C32 | C33 | H57 | 7.3° | 60.0° |
| C31 | C30 | C29 | H50 | 120.8° | 120.0° |
| C31 | C30 | C29 | H51 | 120.7° | 120.0° |
| C31 | C30 | C29 | C28 | 57.9° | 180.0° |
| C31 | C30 | C29 | H48 | 178.5° | 60.0° |
| C31 | C30 | C29 | H49 | 62.8° | 60.1° |
| C31 | C30 | H50 | H51 | 117.7° | 120.0° |
| C30 | C31 | H52 | H53 | 120.1° | 120.0° |
| C30 | C31 | C32 | H54 | 88.5° | 60.0° |
| C30 | C31 | C32 | H55 | 30.6° | 60.0° |
| C37 | C36 | C35 | H60 | 121.0° | 60.0° |
| C37 | C36 | C35 | H61 | 1.5° | 60.0° |
| C37 | C36 | H62 | H63 | 118.3° | 120.0° |
| C36 | C37 | H64 | H65 | 120.0° | 120.0° |
| C36 | C37 | H64 | H66 | 120.0° | 120.0° |
| C36 | C37 | H65 | H66 | 120.0° | 120.0° |
| C30 | C29 | C28 | H48 | 120.7° | 120.0° |
| C30 | C29 | C28 | H49 | 120.6° | 120.0° |
| C30 | C29 | C28 | C27 | 63.6° | 180.0° |
| C30 | C29 | C28 | H46 | 175.6° | 60.0° |
| C30 | C29 | C28 | H47 | 57.1° | 60.0° |
| C30 | C29 | H48 | H49 | 118.0° | 120.1° |
| C29 | C30 | H50 | H51 | 117.7° | 120.0° |
| C29 | C30 | C31 | H52 | 95.2° | 60.0° |
| C29 | C30 | C31 | H53 | 24.8° | 60.0° |
| C29 | C28 | C27 | H46 | 120.7° | 120.0° |
| C29 | C28 | C27 | H47 | 120.7° | 119.9° |
| C29 | C28 | C27 | C26 | 89.1° | 180.0° |
| C29 | C28 | C27 | H44 | 150.8° | 60.0° |
| C29 | C28 | C27 | H45 | 30.9° | 60.1° |
| C29 | C28 | H46 | H47 | 117.8° | 119.9° |
| C28 | C29 | H48 | H49 | 118.0° | 119.9° |
| C28 | C29 | C30 | H50 | 62.9° | 60.0° |
| C28 | C29 | C30 | H51 | 178.6° | 60.1° |
| C28 | C27 | C26 | H44 | 120.0° | 119.9° |
| C28 | C27 | C26 | H45 | 120.0° | 120.0° |
| C28 | C27 | C26 | N9 | 102.6° | 180.0° |
| C28 | C27 | C26 | H42 | 17.4° | 60.0° |
| C28 | C27 | C26 | H43 | 137.4° | 60.0° |
| C28 | C27 | H44 | H45 | 119.9° | 120.0° |
| C27 | C28 | H46 | H47 | 117.9° | 120.1° |
| C27 | C28 | C29 | H48 | 57.0° | 60.0° |
| C27 | C28 | C29 | H49 | 175.7° | 60.0° |
| C27 | C26 | N9 | H42 | 120.0° | 120.0° |
| C27 | C26 | N9 | H43 | 120.0° | 120.0° |
| C27 | C26 | N9 | C25 | 127.8° | 180.0° |
| C27 | C26 | H42 | H43 | 120.1° | 120.0° |
| C26 | C27 | H44 | H45 | 119.9° | 120.0° |
| C26 | C27 | C28 | H46 | 31.6° | 60.0° |
| C26 | C27 | C28 | H47 | 150.2° | 60.1° |
| C27 | C26 | N9 | H67 | 52.2° | 0.0° |
| C26 | N9 | C25 | H67 | 180.0° | 180.0° |
| C26 | N9 | C25 | S1 | 161.6° | 0.0° |
| N9 | C26 | H42 | H43 | 120.1° | 120.0° |
| N9 | C26 | C27 | H44 | 137.4° | 60.0° |
| N9 | C26 | C27 | H45 | 17.4° | 60.0° |
| C26 | N9 | C25 | N2 | 19.0° | 180.0° |
| N9 | C25 | S1 | N2 | 179.3° | 180.0° |
| C25 | N9 | C26 | H42 | 7.8° | 60.0° |
| C25 | N9 | C26 | H43 | 112.2° | 60.0° |
| S1 | C25 | N9 | H67 | 18.4° | 180.0° |
| H42 | C26 | C27 | H44 | 102.7° | 179.9° |
| H42 | C26 | C27 | H45 | 137.4° | 60.0° |
| H42 | C26 | N9 | H67 | 172.2° | 120.0° |
| H43 | C26 | C27 | H44 | 17.4° | 59.9° |
| H43 | C26 | C27 | H45 | 102.5° | 180.0° |
| H43 | C26 | N9 | H67 | 67.8° | 120.0° |
| H44 | C27 | C28 | H46 | 88.5° | 180.0° |
| H44 | C27 | C28 | H47 | 30.1° | 59.9° |
| H45 | C27 | C28 | H46 | 151.6° | 59.9° |
| H45 | C27 | C28 | H47 | 89.8° | 180.0° |
| H46 | C28 | C29 | H48 | 63.7° | 180.0° |
| H46 | C28 | C29 | H49 | 55.0° | 60.0° |
| H47 | C28 | C29 | H48 | 177.7° | 60.0° |
| H47 | C28 | C29 | H49 | 63.6° | 180.0° |
| H48 | C29 | C30 | H50 | 57.8° | 180.0° |
| H48 | C29 | C30 | H51 | 60.8° | 59.9° |
| H49 | C29 | C30 | H50 | 176.5° | 59.9° |
| H49 | C29 | C30 | H51 | 58.0° | 180.0° |
| H50 | C30 | C31 | H52 | 144.0° | NaN° |
| H50 | C30 | C31 | H53 | 95.9° | 60.0° |
| H51 | C30 | C31 | H52 | 25.5° | 60.0° |
| H51 | C30 | C31 | H53 | 145.6° | 180.0° |
| H52 | C31 | C32 | H54 | 151.5° | 180.0° |
| H52 | C31 | C32 | H55 | 89.4° | 59.9° |
| H53 | C31 | C32 | H54 | 31.4° | 59.9° |
| H53 | C31 | C32 | H55 | 150.5° | 180.0° |
| H54 | C32 | C33 | H56 | 112.7° | 179.9° |
| H54 | C32 | C33 | H57 | 127.8° | 60.0° |
| H55 | C32 | C33 | H56 | 6.3° | 59.9° |
| H55 | C32 | C33 | H57 | 113.2° | 180.0° |
| H56 | C33 | C34 | H58 | 125.2° | 180.0° |
| H56 | C33 | C34 | H59 | 115.8° | 59.9° |
| H57 | C33 | C34 | H58 | 115.3° | 60.0° |
| H57 | C33 | C34 | H59 | 3.7° | 180.0° |
| H58 | C34 | C35 | H60 | 171.5° | 180.0° |
| H58 | C34 | C35 | H61 | 52.0° | 59.9° |
| H59 | C34 | C35 | H60 | 69.5° | 60.0° |
| H59 | C34 | C35 | H61 | 171.0° | 180.0° |
| H60 | C35 | C36 | H62 | 118.4° | 180.0° |
| H60 | C35 | C36 | H63 | 0.4° | 59.9° |
| H61 | C35 | C36 | H62 | 122.1° | 59.9° |
| H61 | C35 | C36 | H63 | 119.1° | 180.0° |
| H62 | C36 | C37 | H64 | 59.4° | NaN° |
| H62 | C36 | C37 | H65 | 179.5° | 60.0° |
| H62 | C36 | C37 | H66 | 60.6° | 60.0° |
| H63 | C36 | C37 | H64 | 59.4° | 60.0° |
| H63 | C36 | C37 | H65 | 60.6° | 180.0° |
| H63 | C36 | C37 | H66 | 179.4° | 60.0° |
| H64 | C37 | H65 | H66 | 120.0° | 120.0° |
| H67 | N9 | C25 | N2 | 161.0° | 0.0° |
