QGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | C1 | sing | 1.51Å | 1.53Å | |
| O8 | C1 | doub | 1.21Å | 1.25Å | |
| O4 | P1 | sing | 1.61Å | 1.62Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| O5 | P1 | doub | 1.48Å | 1.48Å | |
| C1 | O9 | sing | 1.34Å | 1.25Å | |
| P1 | O6 | sing | 1.61Å | 1.48Å | |
| P1 | O3 | sing | 1.61Å | 1.60Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O3 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| O1 | C20 | sing | 1.43Å | 1.36Å | |
| O1 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.45Å | 1.44Å | |
| O2 | C7 | sing | 1.34Å | 1.38Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| O9 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C36 | H67 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H69 | sing | 1.09Å | 1.10Å | |
| C38 | H70 | sing | 1.09Å | 1.10Å | |
| C38 | H71 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.09Å | 1.10Å | |
| C39 | H73 | sing | 1.09Å | 1.10Å | |
| C39 | H74 | sing | 1.09Å | 1.10Å | |
| N1 | H75 | sing | 1.01Å | 1.00Å | |
| N1 | H76 | sing | 1.01Å | 1.00Å | |
| C19 | C40 | sing | 1.53Å | 284.22Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H78 | sing | 1.09Å | 1.10Å | |
| C40 | H77 | sing | 1.09Å | 0.00Å | |
| C40 | H79 | sing | 1.09Å | 0.00Å | |
| C40 | H80 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 109.2° | 109.5° |
| C39 | C38 | H70 | 109.5° | 109.4° |
| C39 | C38 | H71 | 109.5° | 109.5° |
| C38 | C39 | H72 | 109.5° | 109.5° |
| C38 | C39 | H73 | 109.5° | 109.5° |
| C38 | C39 | H74 | 109.5° | 109.5° |
| C38 | C37 | C36 | 109.6° | 109.5° |
| C38 | C37 | H68 | 109.5° | 109.5° |
| C38 | C37 | H69 | 109.4° | 109.5° |
| C37 | C38 | H70 | 109.6° | 109.4° |
| C37 | C38 | H71 | 109.5° | 109.5° |
| C37 | C36 | C35 | 109.2° | 109.5° |
| C37 | C36 | H66 | 109.5° | 109.5° |
| C37 | C36 | H67 | 109.5° | 109.4° |
| C36 | C37 | H68 | 109.4° | 109.5° |
| C36 | C37 | H69 | 109.4° | 109.4° |
| C36 | C35 | C34 | 109.8° | 109.5° |
| C36 | C35 | H64 | 109.4° | 109.5° |
| C36 | C35 | H65 | 109.4° | 109.4° |
| C35 | C36 | H66 | 109.5° | 109.5° |
| C35 | C36 | H67 | 109.5° | 109.5° |
| C35 | C34 | C33 | 109.7° | 109.5° |
| C35 | C34 | H62 | 109.4° | 109.5° |
| C35 | C34 | H63 | 109.4° | 109.5° |
| C34 | C35 | H64 | 109.4° | 109.5° |
| C34 | C35 | H65 | 109.4° | 109.5° |
| C34 | C33 | C32 | 109.5° | 109.4° |
| C34 | C33 | H60 | 109.5° | 109.5° |
| C34 | C33 | H61 | 109.5° | 109.5° |
| C33 | C34 | H62 | 109.4° | 109.5° |
| C33 | C34 | H63 | 109.4° | 109.5° |
| C33 | C32 | C31 | 108.7° | 109.4° |
| C33 | C32 | H58 | 109.7° | 109.5° |
| C33 | C32 | H59 | 109.7° | 109.5° |
| C32 | C33 | H60 | 109.5° | 109.4° |
| C32 | C33 | H61 | 109.5° | 109.5° |
| C32 | C31 | C30 | 109.7° | 109.5° |
| C32 | C31 | H56 | 109.4° | 109.5° |
| C32 | C31 | H57 | 109.4° | 109.5° |
| C31 | C32 | H58 | 109.7° | 109.4° |
| C31 | C32 | H59 | 109.7° | 109.5° |
| C31 | C30 | C29 | 108.9° | 109.5° |
| C31 | C30 | H54 | 109.6° | 109.5° |
| C31 | C30 | H55 | 109.6° | 109.4° |
| C30 | C31 | H56 | 109.4° | 109.5° |
| C30 | C31 | H57 | 109.4° | 109.4° |
| C30 | C29 | C28 | 111.0° | 109.5° |
| C30 | C29 | H52 | 109.1° | 109.4° |
| C30 | C29 | H53 | 109.1° | 109.5° |
| C29 | C30 | H54 | 109.6° | 109.5° |
| C29 | C30 | H55 | 109.6° | 109.5° |
| C29 | C28 | C27 | 107.5° | 109.5° |
| C29 | C28 | H50 | 110.0° | 109.4° |
| C29 | C28 | H51 | 110.0° | 109.5° |
| C28 | C29 | H52 | 109.1° | 109.5° |
| C28 | C29 | H53 | 109.1° | 109.5° |
| C28 | C27 | C26 | 110.8° | 109.5° |
| C28 | C27 | H48 | 109.1° | 109.5° |
| C28 | C27 | H49 | 109.1° | 109.5° |
| C27 | C28 | H50 | 110.0° | 109.4° |
| C27 | C28 | H51 | 110.0° | 109.4° |
| N1 | C6 | C5 | 110.6° | 109.5° |
| N1 | C6 | C1 | 108.6° | 109.5° |
| N1 | C6 | H8 | 110.0° | 109.4° |
| C6 | N1 | H75 | 109.5° | 111.0° |
| C6 | N1 | H76 | 109.5° | 111.0° |
| C27 | C26 | C25 | 108.2° | 109.4° |
| C27 | C26 | H46 | 109.8° | 109.4° |
| C27 | C26 | H47 | 109.8° | 109.4° |
| C26 | C27 | H48 | 109.2° | 109.4° |
| C26 | C27 | H49 | 109.1° | 109.4° |
| C26 | C25 | C24 | 108.4° | 109.5° |
| C26 | C25 | H44 | 109.7° | 109.5° |
| C26 | C25 | H45 | 109.8° | 109.5° |
| C25 | C26 | H46 | 109.8° | 109.5° |
| C25 | C26 | H47 | 109.8° | 109.5° |
| C6 | C5 | O4 | 110.9° | 109.5° |
| C5 | C6 | C1 | 109.1° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.5° |
| C6 | C5 | H7 | 109.1° | 109.5° |
| C5 | C6 | H8 | 109.3° | 109.5° |
| C5 | O4 | P1 | 120.3° | 123.0° |
| O4 | C5 | H6 | 109.1° | 109.5° |
| O4 | C5 | H7 | 109.1° | 109.4° |
| C6 | C1 | O8 | 116.8° | 120.1° |
| C6 | C1 | O9 | 117.2° | 120.0° |
| C1 | C6 | H8 | 109.2° | 109.5° |
| O8 | C1 | O9 | 126.0° | 119.9° |
| O4 | P1 | O5 | 107.6° | 109.5° |
| O4 | P1 | O6 | 107.9° | 109.5° |
| O4 | P1 | O3 | 103.9° | 109.5° |
| C25 | C24 | C23 | 111.1° | 109.5° |
| C25 | C24 | H42 | 109.1° | 109.5° |
| C25 | C24 | H43 | 109.1° | 109.4° |
| C24 | C25 | H44 | 109.7° | 109.5° |
| C24 | C25 | H45 | 109.7° | 109.4° |
| O5 | P1 | O6 | 119.5° | 109.4° |
| O5 | P1 | O3 | 109.1° | 109.5° |
| C1 | O9 | H16 | 109.5° | 117.0° |
| O6 | P1 | O3 | 107.8° | 109.5° |
| P1 | O6 | H9 | 109.5° | 113.9° |
| P1 | O3 | C4 | 117.7° | 123.0° |
| C24 | C23 | C22 | 110.2° | 109.4° |
| C24 | C23 | H40 | 109.3° | 109.5° |
| C24 | C23 | H41 | 109.3° | 109.5° |
| C23 | C24 | H42 | 109.0° | 109.5° |
| C23 | C24 | H43 | 109.0° | 109.5° |
| C23 | C22 | C21 | 110.5° | 109.4° |
| C23 | C22 | H38 | 109.2° | 109.5° |
| C23 | C22 | H39 | 109.2° | 109.5° |
| C22 | C23 | H40 | 109.3° | 109.4° |
| C22 | C23 | H41 | 109.3° | 109.5° |
| C22 | C21 | C20 | 118.8° | 109.5° |
| C22 | C21 | H37 | 107.1° | 109.5° |
| C21 | C22 | H38 | 109.2° | 109.4° |
| C21 | C22 | H39 | 109.2° | 109.4° |
| C22 | C21 | H78 | 107.1° | 109.5° |
| O3 | C4 | C2 | 113.0° | 109.5° |
| O3 | C4 | H4 | 108.6° | 109.4° |
| O3 | C4 | H5 | 108.6° | 109.5° |
| C4 | C2 | C3 | 111.9° | 109.5° |
| C4 | C2 | O2 | 106.5° | 109.5° |
| C4 | C2 | H1 | 109.6° | 109.5° |
| C2 | C4 | H4 | 108.6° | 109.5° |
| C2 | C4 | H5 | 108.6° | 109.5° |
| C21 | C20 | O1 | 118.3° | 109.5° |
| C21 | C20 | H36 | 107.2° | 109.5° |
| C20 | C21 | H37 | 107.1° | 109.5° |
| C21 | C20 | H35 | 107.2° | 109.4° |
| C20 | C21 | H78 | 107.1° | 109.4° |
| C20 | O1 | C3 | 105.8° | 114.0° |
| O1 | C20 | H36 | 107.2° | 109.5° |
| O1 | C20 | H35 | 107.2° | 109.5° |
| O1 | C3 | C2 | 113.8° | 109.4° |
| O1 | C3 | H2 | 108.4° | 109.5° |
| O1 | C3 | H3 | 108.4° | 109.5° |
| C3 | C2 | O2 | 108.3° | 109.5° |
| C3 | C2 | H1 | 109.5° | 109.4° |
| C2 | C3 | H2 | 108.4° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C2 | O2 | C7 | 118.2° | 117.0° |
| O2 | C2 | H1 | 111.1° | 109.4° |
| O2 | C7 | O7 | 125.6° | 120.0° |
| O2 | C7 | C8 | 114.8° | 120.0° |
| C10 | C11 | C12 | 129.1° | 109.5° |
| C11 | C10 | C9 | 114.4° | 109.5° |
| C11 | C10 | H14 | 108.2° | 109.5° |
| C11 | C10 | H15 | 108.2° | 109.4° |
| C10 | C11 | H17 | 104.4° | 109.5° |
| C10 | C11 | H18 | 104.3° | 109.4° |
| C11 | C12 | C13 | 127.0° | 109.5° |
| C12 | C11 | H17 | 104.4° | 109.5° |
| C12 | C11 | H18 | 104.4° | 109.4° |
| C11 | C12 | H19 | 105.0° | 109.5° |
| C11 | C12 | H20 | 104.9° | 109.4° |
| O7 | C7 | C8 | 119.2° | 120.0° |
| C7 | C8 | C9 | 112.4° | 109.5° |
| C7 | C8 | H10 | 108.7° | 109.4° |
| C7 | C8 | H11 | 108.7° | 109.4° |
| C10 | C9 | C8 | 112.0° | 109.5° |
| C10 | C9 | H12 | 108.9° | 109.5° |
| C10 | C9 | H13 | 108.9° | 109.5° |
| C9 | C10 | H14 | 108.2° | 109.5° |
| C9 | C10 | H15 | 108.2° | 109.5° |
| C9 | C8 | H10 | 108.8° | 109.5° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C8 | C9 | H12 | 108.8° | 109.5° |
| C8 | C9 | H13 | 108.8° | 109.5° |
| C12 | C13 | C14 | 119.4° | 109.5° |
| C13 | C12 | H19 | 104.9° | 109.5° |
| C13 | C12 | H20 | 105.0° | 109.5° |
| C12 | C13 | H21 | 106.9° | 109.5° |
| C12 | C13 | H22 | 106.9° | 109.5° |
| C13 | C14 | C15 | 106.0° | 109.5° |
| C14 | C13 | H21 | 106.9° | 109.5° |
| C14 | C13 | H22 | 106.9° | 109.5° |
| C13 | C14 | H23 | 110.3° | 109.5° |
| C13 | C14 | H24 | 110.3° | 109.4° |
| C14 | C15 | C16 | 123.6° | 109.5° |
| C15 | C14 | H23 | 110.3° | 109.5° |
| C15 | C14 | H24 | 110.3° | 109.4° |
| C14 | C15 | H25 | 105.8° | 109.5° |
| C14 | C15 | H26 | 105.8° | 109.4° |
| C15 | C16 | C17 | 130.7° | 109.5° |
| C16 | C15 | H25 | 105.8° | 109.5° |
| C16 | C15 | H26 | 105.8° | 109.4° |
| C15 | C16 | H27 | 103.9° | 109.5° |
| C15 | C16 | H28 | 103.9° | 109.5° |
| C19 | C18 | C17 | 119.2° | 109.5° |
| C19 | C18 | H31 | 107.0° | 109.5° |
| C19 | C18 | H32 | 107.0° | 109.5° |
| C18 | C19 | H33 | 114.6° | 109.4° |
| C18 | C19 | H34 | 114.6° | 109.4° |
| C18 | C19 | C40 | 87.7° | 109.4° |
| C16 | C17 | C18 | 125.4° | 109.5° |
| C17 | C16 | H27 | 103.9° | 109.5° |
| C17 | C16 | H28 | 103.9° | 109.5° |
| C16 | C17 | H29 | 105.3° | 109.5° |
| C16 | C17 | H30 | 105.3° | 109.5° |
| C18 | C17 | H29 | 105.4° | 109.5° |
| C18 | C17 | H30 | 105.4° | 109.5° |
| C17 | C18 | H31 | 107.0° | 109.5° |
| C17 | C18 | H32 | 107.0° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.4° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.4° | 109.5° |
| H33 | C19 | C40 | 114.6° | 109.5° |
| H34 | C19 | C40 | 114.6° | 109.5° |
| H36 | C20 | H35 | 109.5° | 109.4° |
| H37 | C21 | H78 | 109.4° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.5° | 109.5° |
| H42 | C24 | H43 | 109.5° | 109.4° |
| H44 | C25 | H45 | 109.5° | 109.4° |
| H46 | C26 | H47 | 109.5° | 109.5° |
| H48 | C27 | H49 | 109.5° | 109.5° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| H52 | C29 | H53 | 109.5° | 109.4° |
| H54 | C30 | H55 | 109.5° | 109.4° |
| H56 | C31 | H57 | 109.5° | 109.4° |
| H58 | C32 | H59 | 109.4° | 109.5° |
| H60 | C33 | H61 | 109.5° | 109.5° |
| H62 | C34 | H63 | 109.5° | 109.4° |
| H64 | C35 | H65 | 109.5° | 109.4° |
| H66 | C36 | H67 | 109.5° | 109.5° |
| H68 | C37 | H69 | 109.5° | 109.5° |
| H70 | C38 | H71 | 109.5° | 109.5° |
| H72 | C39 | H73 | 109.4° | 109.4° |
| H72 | C39 | H74 | 109.5° | 109.5° |
| H73 | C39 | H74 | 109.5° | 109.5° |
| H75 | N1 | H76 | 109.5° | 111.0° |
| C19 | C40 | H77 | 90.0° | 109.5° |
| C19 | C40 | H79 | 90.0° | 109.4° |
| C19 | C40 | H80 | 90.0° | 109.5° |
| H77 | C40 | H79 | 90.0° | 109.5° |
| H77 | C40 | H80 | 90.0° | 109.5° |
| H79 | C40 | H80 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H70 | 120.0° | 119.9° |
| C39 | C38 | C37 | H71 | 119.9° | 120.1° |
| C39 | C38 | C37 | C36 | 180.0° | 179.9° |
| C39 | C38 | C37 | H68 | 60.0° | 60.0° |
| C39 | C38 | C37 | H69 | 60.0° | 60.0° |
| C39 | C38 | H70 | H71 | 120.1° | 120.1° |
| C38 | C39 | H72 | H73 | 120.0° | 120.0° |
| C38 | C39 | H72 | H74 | 120.0° | 120.1° |
| C38 | C39 | H73 | H74 | 120.0° | 120.1° |
| C38 | C37 | C36 | H68 | 120.0° | 120.0° |
| C38 | C37 | C36 | H69 | 120.0° | 120.0° |
| C38 | C37 | C36 | C35 | 179.9° | 180.0° |
| C38 | C37 | C36 | H66 | 60.1° | 60.0° |
| C38 | C37 | C36 | H67 | 59.9° | 60.0° |
| C38 | C37 | H68 | H69 | 120.0° | 120.0° |
| C37 | C38 | H70 | H71 | 120.1° | 120.0° |
| C37 | C38 | C39 | H72 | 180.0° | 180.0° |
| C37 | C38 | C39 | H73 | 60.0° | 60.1° |
| C37 | C38 | C39 | H74 | 60.0° | 60.0° |
| C37 | C36 | C35 | H66 | 120.0° | 120.0° |
| C37 | C36 | C35 | H67 | 120.0° | 119.9° |
| C37 | C36 | C35 | C34 | 180.0° | 180.0° |
| C37 | C36 | C35 | H64 | 59.9° | 59.9° |
| C37 | C36 | C35 | H65 | 60.0° | 60.0° |
| C37 | C36 | H66 | H67 | 120.1° | 120.0° |
| C36 | C37 | H68 | H69 | 119.9° | 120.0° |
| C36 | C37 | C38 | H70 | 60.0° | 60.0° |
| C36 | C37 | C38 | H71 | 60.1° | 60.0° |
| C36 | C35 | C34 | H64 | 120.1° | 120.0° |
| C36 | C35 | C34 | H65 | 120.0° | 120.0° |
| C36 | C35 | C34 | C33 | 60.1° | 180.0° |
| C36 | C35 | C34 | H62 | 179.9° | 59.9° |
| C36 | C35 | C34 | H63 | 59.9° | 60.0° |
| C36 | C35 | H64 | H65 | 119.8° | 119.9° |
| C35 | C36 | H66 | H67 | 120.1° | 120.0° |
| C35 | C36 | C37 | H68 | 59.9° | 59.9° |
| C35 | C36 | C37 | H69 | 60.1° | 60.1° |
| C35 | C34 | C33 | H62 | 120.0° | 120.0° |
| C35 | C34 | C33 | H63 | 120.0° | 120.0° |
| C35 | C34 | C33 | C32 | 179.7° | 180.0° |
| C35 | C34 | C33 | H60 | 60.3° | 60.0° |
| C35 | C34 | C33 | H61 | 59.7° | 60.0° |
| C35 | C34 | H62 | H63 | 119.9° | 120.0° |
| C34 | C35 | H64 | H65 | 119.9° | 120.1° |
| C34 | C35 | C36 | H66 | 60.1° | 60.0° |
| C34 | C35 | C36 | H67 | 60.0° | 60.1° |
| C34 | C33 | C32 | H60 | 120.0° | 120.0° |
| C34 | C33 | C32 | H61 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 179.6° | 180.0° |
| C34 | C33 | C32 | H58 | 59.7° | 60.1° |
| C34 | C33 | C32 | H59 | 60.6° | 60.0° |
| C34 | C33 | H60 | H61 | 120.0° | 120.1° |
| C33 | C34 | H62 | H63 | 119.9° | 120.0° |
| C33 | C34 | C35 | H64 | 60.0° | 60.0° |
| C33 | C34 | C35 | H65 | 179.9° | 60.0° |
| C33 | C32 | C31 | H58 | 119.9° | 119.9° |
| C33 | C32 | C31 | H59 | 119.9° | 120.0° |
| C33 | C32 | C31 | C30 | 179.0° | 180.0° |
| C33 | C32 | C31 | H56 | 61.0° | 60.0° |
| C33 | C32 | C31 | H57 | 59.0° | 60.0° |
| C33 | C32 | H58 | H59 | 120.4° | 120.1° |
| C32 | C33 | H60 | H61 | 120.0° | 120.0° |
| C32 | C33 | C34 | H62 | 59.7° | 60.0° |
| C32 | C33 | C34 | H63 | 60.3° | 59.9° |
| C32 | C31 | C30 | H56 | 120.0° | 120.0° |
| C32 | C31 | C30 | H57 | 120.0° | 120.0° |
| C32 | C31 | C30 | C29 | 178.9° | 180.0° |
| C32 | C31 | C30 | H54 | 59.0° | 60.0° |
| C32 | C31 | C30 | H55 | 61.2° | 60.0° |
| C32 | C31 | H56 | H57 | 119.9° | 120.0° |
| C31 | C32 | H58 | H59 | 120.4° | 120.0° |
| C31 | C32 | C33 | H60 | 60.4° | 60.0° |
| C31 | C32 | C33 | H61 | 59.6° | 60.0° |
| C31 | C30 | C29 | H54 | 119.9° | 120.0° |
| C31 | C30 | C29 | H55 | 119.9° | 120.0° |
| C31 | C30 | C29 | C28 | 61.6° | 180.0° |
| C31 | C30 | C29 | H52 | 58.6° | 60.0° |
| C31 | C30 | C29 | H53 | 178.2° | 60.0° |
| C31 | C30 | H54 | H55 | 120.3° | 119.9° |
| C30 | C31 | H56 | H57 | 119.9° | 119.9° |
| C30 | C31 | C32 | H58 | 59.1° | 60.0° |
| C30 | C31 | C32 | H59 | 61.1° | 60.0° |
| C30 | C29 | C28 | H52 | 120.2° | 119.9° |
| C30 | C29 | C28 | H53 | 120.2° | 120.1° |
| C30 | C29 | C28 | C27 | 178.2° | 180.0° |
| C30 | C29 | C28 | H50 | 62.1° | 60.1° |
| C30 | C29 | C28 | H51 | 58.5° | 60.0° |
| C30 | C29 | H52 | H53 | 119.3° | 120.0° |
| C29 | C30 | H54 | H55 | 120.3° | 120.0° |
| C29 | C30 | C31 | H56 | 61.0° | 60.0° |
| C29 | C30 | C31 | H57 | 58.9° | 60.0° |
| C29 | C28 | C27 | H50 | 119.7° | 119.9° |
| C29 | C28 | C27 | H51 | 119.7° | 120.0° |
| C29 | C28 | C27 | C26 | 178.5° | 180.0° |
| C29 | C28 | C27 | H48 | 61.3° | 60.1° |
| C29 | C28 | C27 | H49 | 58.3° | 60.0° |
| C29 | C28 | H50 | H51 | 121.0° | 120.1° |
| C28 | C29 | H52 | H53 | 119.3° | 120.1° |
| C28 | C29 | C30 | H54 | 178.5° | 60.0° |
| C28 | C29 | C30 | H55 | 58.3° | 59.9° |
| C28 | C27 | C26 | H48 | 120.2° | 120.0° |
| C28 | C27 | C26 | H49 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 178.2° | 180.0° |
| C28 | C27 | C26 | H46 | 62.0° | 60.0° |
| C28 | C27 | C26 | H47 | 58.4° | 60.0° |
| C28 | C27 | H48 | H49 | 119.4° | 120.1° |
| C27 | C28 | H50 | H51 | 120.9° | 120.0° |
| C27 | C28 | C29 | H52 | 58.0° | 60.1° |
| C27 | C28 | C29 | H53 | 61.6° | 60.0° |
| N1 | C6 | C5 | C1 | 119.4° | 120.0° |
| N1 | C6 | C5 | H8 | 121.3° | 120.0° |
| N1 | C6 | C5 | O4 | 179.2° | 65.0° |
| N1 | C6 | C1 | H8 | 120.0° | 119.9° |
| N1 | C6 | C1 | O8 | 24.7° | 20.3° |
| N1 | C6 | C1 | O9 | 155.5° | 160.0° |
| N1 | C6 | C5 | H6 | 59.0° | 175.0° |
| N1 | C6 | C5 | H7 | 60.6° | 55.0° |
| C6 | N1 | H75 | H76 | 120.0° | 123.9° |
| C27 | C26 | C25 | H46 | 119.8° | 119.9° |
| C27 | C26 | C25 | H47 | 119.8° | 120.0° |
| C27 | C26 | C25 | C24 | 62.1° | 180.0° |
| C27 | C26 | C25 | H44 | 57.7° | 60.0° |
| C27 | C26 | C25 | H45 | 178.1° | 60.0° |
| C27 | C26 | H46 | H47 | 120.6° | 120.0° |
| C26 | C27 | H48 | H49 | 119.4° | 120.0° |
| C26 | C27 | C28 | H50 | 58.8° | 60.0° |
| C26 | C27 | C28 | H51 | 61.8° | 60.0° |
| C26 | C25 | C24 | H44 | 119.8° | 120.1° |
| C26 | C25 | C24 | H45 | 119.8° | 120.0° |
| C26 | C25 | C24 | C23 | 179.0° | 180.0° |
| C26 | C25 | C24 | H42 | 60.7° | 59.9° |
| C26 | C25 | C24 | H43 | 58.8° | 60.0° |
| C26 | C25 | H44 | H45 | 120.5° | 120.0° |
| C25 | C26 | H46 | H47 | 120.6° | 120.1° |
| C25 | C26 | C27 | H48 | 58.0° | 60.0° |
| C25 | C26 | C27 | H49 | 61.6° | 60.0° |
| C6 | C5 | O4 | H6 | 120.2° | 120.0° |
| C6 | C5 | O4 | H7 | 120.2° | 120.0° |
| C5 | C6 | C1 | H8 | 119.4° | 120.1° |
| C5 | C6 | C1 | O8 | 95.9° | 99.7° |
| C6 | C5 | O4 | P1 | 77.8° | 180.0° |
| C5 | C6 | C1 | O9 | 83.9° | 80.0° |
| C6 | C5 | H6 | H7 | 119.4° | 120.0° |
| C5 | C6 | N1 | H75 | 180.0° | 176.1° |
| C5 | C6 | N1 | H76 | 60.0° | 60.0° |
| O4 | C5 | C6 | C1 | 61.4° | 175.0° |
| C5 | O4 | P1 | O5 | 22.8° | 55.0° |
| C5 | O4 | P1 | O6 | 153.0° | 65.0° |
| C5 | O4 | P1 | O3 | 92.8° | 175.0° |
| O4 | C5 | H6 | H7 | 119.4° | 120.0° |
| O4 | C5 | C6 | H8 | 58.0° | 55.0° |
| C6 | C1 | O8 | O9 | 179.8° | 179.6° |
| C1 | C6 | C5 | H6 | 178.4° | 55.0° |
| C1 | C6 | C5 | H7 | 58.8° | 65.0° |
| C6 | C1 | O9 | H16 | 179.8° | 180.0° |
| C1 | C6 | N1 | H75 | 60.3° | 63.9° |
| C1 | C6 | N1 | H76 | 59.7° | 60.0° |
| O8 | C1 | C6 | H8 | 144.7° | 140.3° |
| O8 | C1 | O9 | H16 | 0.0° | 0.4° |
| O4 | P1 | O5 | O6 | 123.3° | 120.0° |
| O4 | P1 | O5 | O3 | 112.1° | 120.0° |
| O4 | P1 | O6 | O3 | 111.6° | 120.0° |
| O4 | P1 | O3 | C4 | 91.4° | 175.0° |
| P1 | O4 | C5 | H6 | 42.4° | 60.0° |
| P1 | O4 | C5 | H7 | 162.0° | 60.0° |
| O4 | P1 | O6 | H9 | 123.2° | 60.0° |
| C25 | C24 | C23 | H42 | 120.3° | 120.0° |
| C25 | C24 | C23 | H43 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 58.0° | 180.0° |
| C25 | C24 | C23 | H40 | 178.2° | 60.0° |
| C25 | C24 | C23 | H41 | 62.1° | 60.0° |
| C25 | C24 | H42 | H43 | 119.3° | 119.9° |
| C24 | C25 | H44 | H45 | 120.5° | 119.9° |
| C24 | C25 | C26 | H46 | 178.1° | 60.0° |
| C24 | C25 | C26 | H47 | 57.7° | 60.1° |
| O5 | P1 | O6 | O3 | 125.2° | 120.0° |
| O5 | P1 | O3 | C4 | 154.1° | 55.0° |
| O5 | P1 | O6 | H9 | 0.0° | 179.9° |
| O9 | C1 | C6 | H8 | 35.5° | 40.1° |
| O6 | P1 | O3 | C4 | 22.9° | 65.0° |
| P1 | O3 | C4 | C2 | 132.0° | 180.0° |
| P1 | O3 | C4 | H4 | 11.5° | 60.0° |
| P1 | O3 | C4 | H5 | 107.5° | 59.9° |
| O3 | P1 | O6 | H9 | 125.2° | 60.1° |
| C24 | C23 | C22 | H40 | 120.1° | 120.0° |
| C24 | C23 | C22 | H41 | 120.1° | 120.0° |
| C24 | C23 | C22 | C21 | 178.5° | 180.0° |
| C24 | C23 | C22 | H38 | 61.3° | 60.1° |
| C24 | C23 | C22 | H39 | 58.3° | 60.0° |
| C24 | C23 | H40 | H41 | 119.7° | 120.0° |
| C23 | C24 | H42 | H43 | 119.2° | 120.0° |
| C23 | C24 | C25 | H44 | 59.2° | 60.0° |
| C23 | C24 | C25 | H45 | 61.1° | 60.0° |
| C23 | C22 | C21 | H38 | 120.1° | 119.9° |
| C23 | C22 | C21 | H39 | 120.2° | 120.0° |
| C23 | C22 | C21 | C20 | 72.4° | 180.0° |
| C23 | C22 | C21 | H37 | 166.3° | 60.0° |
| C23 | C22 | H38 | H39 | 119.5° | 120.1° |
| C22 | C23 | H40 | H41 | 119.7° | 120.0° |
| C22 | C23 | C24 | H42 | 62.2° | 60.0° |
| C22 | C23 | C24 | H43 | 178.3° | 60.0° |
| C23 | C22 | C21 | H78 | 49.0° | 60.0° |
| C22 | C21 | C20 | H37 | 121.3° | 120.0° |
| C22 | C21 | C20 | H78 | 121.4° | 120.0° |
| C22 | C21 | C20 | O1 | 0.4° | 180.0° |
| C22 | C21 | C20 | H36 | 120.9° | 60.0° |
| C22 | C21 | H37 | H78 | 115.8° | 120.0° |
| C21 | C22 | H38 | H39 | 119.5° | 120.0° |
| C21 | C22 | C23 | H40 | 58.4° | 60.0° |
| C21 | C22 | C23 | H41 | 61.4° | 60.0° |
| C22 | C21 | C20 | H35 | 121.6° | 60.0° |
| O3 | C4 | C2 | H4 | 120.5° | 119.9° |
| O3 | C4 | C2 | H5 | 120.5° | 120.0° |
| O3 | C4 | C2 | C3 | 60.5° | 55.0° |
| O3 | C4 | C2 | O2 | 178.6° | 65.0° |
| O3 | C4 | C2 | H1 | 61.2° | 175.0° |
| O3 | C4 | H4 | H5 | 118.4° | 120.0° |
| C4 | C2 | C3 | O1 | 65.7° | 55.0° |
| C4 | C2 | C3 | O2 | 117.0° | 120.0° |
| C4 | C2 | C3 | H1 | 121.8° | 120.0° |
| C4 | C2 | O2 | H1 | 119.3° | 120.0° |
| C4 | C2 | O2 | C7 | 169.9° | 90.0° |
| C4 | C2 | C3 | H2 | 173.7° | 65.0° |
| C4 | C2 | C3 | H3 | 55.0° | 175.0° |
| C2 | C4 | H4 | H5 | 118.4° | 120.1° |
| C21 | C20 | O1 | H36 | 121.3° | 120.1° |
| C21 | C20 | O1 | H35 | 121.3° | 120.0° |
| C21 | C20 | O1 | C3 | 176.8° | 180.0° |
| C21 | C20 | H36 | H35 | 116.0° | 119.9° |
| C20 | C21 | H37 | H78 | 115.8° | 119.9° |
| C20 | C21 | C22 | H38 | 47.8° | 60.0° |
| C20 | C21 | C22 | H39 | 167.5° | 60.0° |
| C20 | O1 | C3 | C2 | 78.4° | 180.0° |
| C20 | O1 | C3 | H2 | 42.3° | 60.0° |
| C20 | O1 | C3 | H3 | 161.0° | 60.0° |
| O1 | C20 | H36 | H35 | 116.0° | 120.0° |
| O1 | C20 | C21 | H37 | 121.7° | 59.9° |
| O1 | C20 | C21 | H78 | 121.0° | 60.0° |
| O1 | C3 | C2 | H2 | 120.6° | 120.0° |
| O1 | C3 | C2 | H3 | 120.6° | 120.0° |
| O1 | C3 | C2 | O2 | 177.3° | 65.0° |
| O1 | C3 | C2 | H1 | 56.1° | 175.1° |
| O1 | C3 | H2 | H3 | 118.1° | 120.0° |
| C3 | O1 | C20 | H36 | 61.9° | 59.9° |
| C3 | O1 | C20 | H35 | 55.6° | 60.0° |
| C3 | C2 | O2 | H1 | 120.3° | 119.9° |
| C3 | C2 | O2 | C7 | 69.6° | 149.9° |
| C2 | C3 | H2 | H3 | 118.0° | 120.0° |
| C3 | C2 | C4 | H4 | 60.0° | 64.9° |
| C3 | C2 | C4 | H5 | 179.0° | 175.0° |
| C2 | O2 | C7 | O7 | 15.8° | 0.0° |
| C2 | O2 | C7 | C8 | 171.0° | 180.0° |
| O2 | C2 | C3 | H2 | 56.7° | 175.0° |
| O2 | C2 | C3 | H3 | 62.0° | 55.0° |
| O2 | C2 | C4 | H4 | 58.0° | 175.1° |
| O2 | C2 | C4 | H5 | 60.9° | 55.0° |
| O2 | C7 | O7 | C8 | 172.9° | 180.0° |
| O2 | C7 | C8 | C9 | 33.9° | 179.9° |
| C7 | O2 | C2 | H1 | 50.6° | 30.0° |
| O2 | C7 | C8 | H10 | 154.4° | 60.0° |
| O2 | C7 | C8 | H11 | 86.5° | 60.0° |
| C10 | C11 | C12 | H17 | 122.6° | 120.0° |
| C10 | C11 | C12 | H18 | 122.5° | 119.9° |
| C11 | C10 | C9 | H14 | 120.7° | 120.0° |
| C11 | C10 | C9 | H15 | 120.7° | 119.9° |
| C11 | C10 | C9 | C8 | 177.0° | 180.0° |
| C10 | C11 | C12 | C13 | 57.1° | 180.0° |
| C11 | C10 | C9 | H12 | 56.7° | 59.9° |
| C11 | C10 | C9 | H13 | 62.6° | 60.0° |
| C11 | C10 | H14 | H15 | 117.7° | 119.9° |
| C10 | C11 | H17 | H18 | 111.2° | 120.0° |
| C10 | C11 | C12 | H19 | 179.4° | 59.9° |
| C10 | C11 | C12 | H20 | 65.3° | 60.1° |
| C12 | C11 | C10 | C9 | 65.8° | 180.0° |
| C11 | C12 | C13 | H19 | 122.3° | 120.1° |
| C11 | C12 | C13 | H20 | 122.3° | 119.9° |
| C11 | C12 | C13 | C14 | 71.4° | 180.0° |
| C12 | C11 | C10 | H14 | 54.9° | 59.9° |
| C12 | C11 | C10 | H15 | 173.5° | 60.0° |
| C12 | C11 | H17 | H18 | 111.3° | 120.0° |
| C11 | C12 | H19 | H20 | 112.2° | 119.9° |
| C11 | C12 | C13 | H21 | 50.1° | 59.9° |
| C11 | C12 | C13 | H22 | 167.2° | 60.0° |
| O7 | C7 | C8 | C9 | 139.7° | 0.1° |
| O7 | C7 | C8 | H10 | 19.3° | 120.0° |
| O7 | C7 | C8 | H11 | 99.8° | 120.0° |
| C7 | C8 | C9 | C10 | 62.6° | 180.0° |
| C7 | C8 | C9 | H10 | 120.4° | 120.0° |
| C7 | C8 | C9 | H11 | 120.4° | 119.9° |
| C7 | C8 | H10 | H11 | 118.7° | 119.9° |
| C7 | C8 | C9 | H12 | 57.8° | 59.9° |
| C7 | C8 | C9 | H13 | 177.0° | 60.0° |
| C10 | C9 | C8 | H12 | 120.4° | 120.1° |
| C10 | C9 | C8 | H13 | 120.4° | 120.0° |
| C10 | C9 | C8 | H10 | 57.8° | 60.0° |
| C10 | C9 | C8 | H11 | 176.9° | 60.1° |
| C10 | C9 | H12 | H13 | 118.9° | 120.0° |
| C9 | C10 | H14 | H15 | 117.8° | 120.0° |
| C9 | C10 | C11 | H17 | 56.7° | 60.0° |
| C9 | C10 | C11 | H18 | 171.6° | 60.1° |
| C9 | C8 | H10 | H11 | 118.7° | 120.0° |
| C8 | C9 | H12 | H13 | 118.8° | 120.0° |
| C8 | C9 | C10 | H14 | 62.2° | 60.0° |
| C8 | C9 | C10 | H15 | 56.3° | 60.1° |
| C12 | C13 | C14 | H21 | 121.4° | 120.0° |
| C12 | C13 | C14 | H22 | 121.4° | 120.0° |
| C12 | C13 | C14 | C15 | 178.8° | 180.0° |
| C13 | C12 | C11 | H17 | 65.5° | 60.0° |
| C13 | C12 | C11 | H18 | 179.6° | 60.1° |
| C13 | C12 | H19 | H20 | 112.2° | 120.0° |
| C12 | C13 | H21 | H22 | 115.5° | 120.0° |
| C12 | C13 | C14 | H23 | 61.7° | 59.9° |
| C12 | C13 | C14 | H24 | 59.3° | 60.1° |
| C13 | C14 | C15 | H23 | 119.5° | 120.1° |
| C13 | C14 | C15 | H24 | 119.4° | 119.9° |
| C13 | C14 | C15 | C16 | 174.7° | NaN° |
| C14 | C13 | C12 | H19 | 166.3° | 59.9° |
| C14 | C13 | C12 | H20 | 50.9° | 60.1° |
| C14 | C13 | H21 | H22 | 115.5° | 120.0° |
| C13 | C14 | H23 | H24 | 121.6° | 120.0° |
| C13 | C14 | C15 | H25 | 63.4° | 60.0° |
| C13 | C14 | C15 | H26 | 52.8° | 60.1° |
| C14 | C15 | C16 | H25 | 121.9° | 120.0° |
| C14 | C15 | C16 | H26 | 121.9° | 119.9° |
| C14 | C15 | C16 | C17 | 61.0° | 180.0° |
| C15 | C14 | C13 | H21 | 57.4° | 60.0° |
| C15 | C14 | C13 | H22 | 59.8° | 60.0° |
| C15 | C14 | H23 | H24 | 121.6° | 120.0° |
| C14 | C15 | H25 | H26 | 113.7° | 120.0° |
| C14 | C15 | C16 | H27 | 176.3° | 59.9° |
| C14 | C15 | C16 | H28 | 61.7° | 60.0° |
| C15 | C16 | C17 | H27 | 122.7° | 120.1° |
| C15 | C16 | C17 | H28 | 122.7° | 120.0° |
| C15 | C16 | C17 | C18 | 64.9° | 180.0° |
| C16 | C15 | C14 | H23 | 55.2° | 59.9° |
| C16 | C15 | C14 | H24 | 65.9° | 60.1° |
| C16 | C15 | H25 | H26 | 113.7° | 120.0° |
| C15 | C16 | H27 | H28 | 110.5° | 120.0° |
| C15 | C16 | C17 | H29 | 57.2° | 59.9° |
| C15 | C16 | C17 | H30 | 172.9° | 60.0° |
| C19 | C18 | C17 | C16 | 64.5° | 180.0° |
| C19 | C18 | C17 | H31 | 121.4° | 120.1° |
| C19 | C18 | C17 | H32 | 121.4° | 120.0° |
| C19 | C18 | C17 | H29 | 57.7° | 60.0° |
| C19 | C18 | C17 | H30 | 173.4° | 60.0° |
| C19 | C18 | H31 | H32 | 115.6° | 120.0° |
| C18 | C19 | H33 | H34 | 130.4° | 119.9° |
| C18 | C19 | H33 | C40 | 99.3° | 120.0° |
| C18 | C19 | H34 | C40 | 99.3° | 120.0° |
| C18 | C19 | C40 | H77 | 90.0° | 60.0° |
| C18 | C19 | C40 | H79 | 90.0° | 179.9° |
| C18 | C19 | C40 | H80 | 90.0° | 60.0° |
| C16 | C17 | C18 | H29 | 122.1° | 120.0° |
| C16 | C17 | C18 | H30 | 122.1° | 120.0° |
| C17 | C16 | C15 | H25 | 60.9° | 60.0° |
| C17 | C16 | C15 | H26 | 177.1° | 60.1° |
| C17 | C16 | H27 | H28 | 110.6° | 119.9° |
| C16 | C17 | H29 | H30 | 112.8° | 120.0° |
| C16 | C17 | C18 | H31 | 56.9° | 59.9° |
| C16 | C17 | C18 | H32 | 174.2° | 60.0° |
| C18 | C17 | C16 | H27 | 172.4° | 59.9° |
| C18 | C17 | C16 | H28 | 57.8° | 60.0° |
| C18 | C17 | H29 | H30 | 112.8° | 120.0° |
| C17 | C18 | H31 | H32 | 115.6° | 119.9° |
| C17 | C18 | C19 | H33 | 95.7° | 60.0° |
| C17 | C18 | C19 | H34 | 136.6° | 60.0° |
| C17 | C18 | C19 | C40 | 20.4° | 180.0° |
| H1 | C2 | C3 | H2 | 64.6° | 55.1° |
| H1 | C2 | C3 | H3 | 176.7° | 65.0° |
| H1 | C2 | C4 | H4 | 178.3° | 55.1° |
| H1 | C2 | C4 | H5 | 59.3° | 65.0° |
| H6 | C5 | C6 | H8 | 62.2° | 65.0° |
| H7 | C5 | C6 | H8 | 178.2° | 174.9° |
| H8 | C6 | N1 | H75 | 59.2° | 56.1° |
| H8 | C6 | N1 | H76 | 179.2° | 180.0° |
| H10 | C8 | C9 | H12 | 178.2° | 179.9° |
| H10 | C8 | C9 | H13 | 62.6° | 60.0° |
| H11 | C8 | C9 | H12 | 62.6° | 60.0° |
| H11 | C8 | C9 | H13 | 56.5° | 179.9° |
| H12 | C9 | C10 | H14 | 177.4° | 180.0° |
| H12 | C9 | C10 | H15 | 64.1° | 60.0° |
| H13 | C9 | C10 | H14 | 58.2° | 60.0° |
| H13 | C9 | C10 | H15 | 176.7° | 180.0° |
| H14 | C10 | C11 | H17 | 177.5° | 180.0° |
| H14 | C10 | C11 | H18 | 67.6° | 60.0° |
| H15 | C10 | C11 | H17 | 64.0° | 60.0° |
| H15 | C10 | C11 | H18 | 50.9° | 179.9° |
| H17 | C11 | C12 | H19 | 56.8° | 180.0° |
| H17 | C11 | C12 | H20 | 172.2° | 60.0° |
| H18 | C11 | C12 | H19 | 58.1° | 60.0° |
| H18 | C11 | C12 | H20 | 57.3° | 180.0° |
| H19 | C12 | C13 | H21 | 72.3° | 180.0° |
| H19 | C12 | C13 | H22 | 44.9° | 60.0° |
| H20 | C12 | C13 | H21 | 172.4° | 60.0° |
| H20 | C12 | C13 | H22 | 70.4° | 179.9° |
| H21 | C13 | C14 | H23 | 176.8° | 180.0° |
| H21 | C13 | C14 | H24 | 62.1° | 59.9° |
| H22 | C13 | C14 | H23 | 59.6° | 60.0° |
| H22 | C13 | C14 | H24 | 179.3° | 179.9° |
| H23 | C14 | C15 | H25 | 177.1° | 179.9° |
| H23 | C14 | C15 | H26 | 66.7° | 60.0° |
| H24 | C14 | C15 | H25 | 56.0° | 59.9° |
| H24 | C14 | C15 | H26 | 172.2° | NaN° |
| H25 | C15 | C16 | H27 | 61.8° | 180.0° |
| H25 | C15 | C16 | H28 | 176.4° | 60.0° |
| H26 | C15 | C16 | H27 | 54.4° | 60.0° |
| H26 | C15 | C16 | H28 | 60.2° | 179.9° |
| H27 | C16 | C17 | H29 | 65.5° | 180.0° |
| H27 | C16 | C17 | H30 | 50.2° | 60.1° |
| H28 | C16 | C17 | H29 | 180.0° | 60.0° |
| H28 | C16 | C17 | H30 | 64.3° | NaN° |
| H29 | C17 | C18 | H31 | 179.1° | 180.0° |
| H29 | C17 | C18 | H32 | 63.7° | 60.0° |
| H30 | C17 | C18 | H31 | 65.2° | 60.0° |
| H30 | C17 | C18 | H32 | 52.0° | 180.0° |
| H31 | C18 | C19 | H33 | 143.0° | 180.0° |
| H31 | C18 | C19 | H34 | 15.2° | 60.0° |
| H31 | C18 | C19 | C40 | 100.9° | 60.0° |
| H32 | C18 | C19 | H33 | 25.7° | 60.0° |
| H32 | C18 | C19 | H34 | 102.1° | 179.9° |
| H32 | C18 | C19 | C40 | 141.8° | 60.0° |
| H33 | C19 | H34 | C40 | 130.3° | 120.1° |
| H33 | C19 | C40 | H77 | 90.0° | 59.9° |
| H33 | C19 | C40 | H79 | 90.0° | 60.1° |
| H33 | C19 | C40 | H80 | 90.0° | NaN° |
| H34 | C19 | C40 | H77 | 90.0° | 180.0° |
| H34 | C19 | C40 | H79 | 90.0° | 60.0° |
| H34 | C19 | C40 | H80 | 90.0° | 59.9° |
| H36 | C20 | C21 | H37 | 0.4° | 180.0° |
| H36 | C20 | C21 | H78 | 117.8° | 60.1° |
| H37 | C21 | C22 | H38 | 73.5° | 180.0° |
| H37 | C21 | C22 | H39 | 46.1° | 60.0° |
| H37 | C21 | C20 | H35 | 117.1° | 60.1° |
| H38 | C22 | C23 | H40 | 178.6° | 180.0° |
| H38 | C22 | C23 | H41 | 58.8° | 59.9° |
| H38 | C22 | C21 | H78 | 169.1° | 60.0° |
| H39 | C22 | C23 | H40 | 61.7° | 59.9° |
| H39 | C22 | C23 | H41 | 178.4° | 180.0° |
| H39 | C22 | C21 | H78 | 71.2° | 180.0° |
| H40 | C23 | C24 | H42 | 57.9° | 179.9° |
| H40 | C23 | C24 | H43 | 61.6° | 60.0° |
| H41 | C23 | C24 | H42 | 177.7° | 60.0° |
| H41 | C23 | C24 | H43 | 58.2° | 180.0° |
| H42 | C24 | C25 | H44 | 179.4° | 180.0° |
| H42 | C24 | C25 | H45 | 59.1° | 60.1° |
| H43 | C24 | C25 | H44 | 61.0° | 60.1° |
| H43 | C24 | C25 | H45 | 178.6° | 180.0° |
| H44 | C25 | C26 | H46 | 62.1° | 179.9° |
| H44 | C25 | C26 | H47 | 177.5° | 60.0° |
| H45 | C25 | C26 | H46 | 58.3° | 60.0° |
| H45 | C25 | C26 | H47 | 62.1° | 180.0° |
| H46 | C26 | C27 | H48 | 177.8° | NaN° |
| H46 | C26 | C27 | H49 | 58.2° | 60.0° |
| H47 | C26 | C27 | H48 | 61.8° | 60.0° |
| H47 | C26 | C27 | H49 | 178.6° | 180.0° |
| H48 | C27 | C28 | H50 | 179.0° | 180.0° |
| H48 | C27 | C28 | H51 | 58.4° | 59.9° |
| H49 | C27 | C28 | H50 | 61.4° | 59.9° |
| H49 | C27 | C28 | H51 | 178.0° | 180.0° |
| H50 | C28 | C29 | H52 | 177.7° | 180.0° |
| H50 | C28 | C29 | H53 | 58.1° | 60.0° |
| H51 | C28 | C29 | H52 | 61.7° | 59.9° |
| H51 | C28 | C29 | H53 | 178.8° | 179.9° |
| H52 | C29 | C30 | H54 | 61.3° | 180.0° |
| H52 | C29 | C30 | H55 | 178.5° | 60.0° |
| H53 | C29 | C30 | H54 | 58.3° | 60.1° |
| H53 | C29 | C30 | H55 | 61.9° | 180.0° |
| H54 | C30 | C31 | H56 | 179.1° | 180.0° |
| H54 | C30 | C31 | H57 | 61.0° | 60.1° |
| H55 | C30 | C31 | H56 | 58.9° | 60.1° |
| H55 | C30 | C31 | H57 | 178.8° | 180.0° |
| H56 | C31 | C32 | H58 | 179.2° | 180.0° |
| H56 | C31 | C32 | H59 | 58.9° | 60.0° |
| H57 | C31 | C32 | H58 | 60.9° | 60.0° |
| H57 | C31 | C32 | H59 | 178.8° | 180.0° |
| H58 | C32 | C33 | H60 | 179.7° | 180.0° |
| H58 | C32 | C33 | H61 | 60.3° | 59.9° |
| H59 | C32 | C33 | H60 | 59.4° | 60.0° |
| H59 | C32 | C33 | H61 | 179.4° | 180.0° |
| H60 | C33 | C34 | H62 | 179.7° | 179.9° |
| H60 | C33 | C34 | H63 | 59.7° | 60.0° |
| H61 | C33 | C34 | H62 | 60.3° | 60.0° |
| H61 | C33 | C34 | H63 | 179.7° | 179.9° |
| H62 | C34 | C35 | H64 | 60.0° | 180.0° |
| H62 | C34 | C35 | H65 | 59.9° | 60.0° |
| H63 | C34 | C35 | H64 | 180.0° | 60.0° |
| H63 | C34 | C35 | H65 | 60.1° | 180.0° |
| H64 | C35 | C36 | H66 | 179.9° | 180.0° |
| H64 | C35 | C36 | H67 | 60.1° | 60.0° |
| H65 | C35 | C36 | H66 | 60.0° | 60.0° |
| H65 | C35 | C36 | H67 | 180.0° | 179.9° |
| H66 | C36 | C37 | H68 | 179.8° | NaN° |
| H66 | C36 | C37 | H69 | 59.9° | 60.0° |
| H67 | C36 | C37 | H68 | 60.1° | 60.0° |
| H67 | C36 | C37 | H69 | 179.9° | 180.0° |
| H68 | C37 | C38 | H70 | 180.0° | 180.0° |
| H68 | C37 | C38 | H71 | 59.9° | 60.0° |
| H69 | C37 | C38 | H70 | 60.0° | 59.9° |
| H69 | C37 | C38 | H71 | 179.9° | 179.9° |
| H70 | C38 | C39 | H72 | 60.0° | 60.1° |
| H70 | C38 | C39 | H73 | 60.0° | 180.0° |
| H70 | C38 | C39 | H74 | 180.0° | 59.9° |
| H71 | C38 | C39 | H72 | 60.1° | 60.0° |
| H71 | C38 | C39 | H73 | 179.9° | 60.0° |
| H71 | C38 | C39 | H74 | 59.9° | NaN° |
| H72 | C39 | H73 | H74 | 120.0° | 120.0° |
| C19 | C40 | H77 | H79 | 90.0° | 120.0° |
| C19 | C40 | H77 | H80 | 90.0° | 120.1° |
| C19 | C40 | H79 | H80 | 90.0° | 120.0° |
| H35 | C20 | C21 | H78 | 0.2° | 180.0° |
| H77 | C40 | H79 | H80 | 90.0° | 120.0° |
