LBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N1 | sing | 1.47Å | 1.52Å | |
| O3 | P1 | sing | 1.55Å | 1.48Å | |
| O2 | C9 | sing | 1.43Å | 1.34Å | |
| O2 | P1 | sing | 1.61Å | 1.77Å | |
| C9 | C6 | sing | 1.53Å | 1.55Å | |
| O4 | P1 | doub | 1.54Å | 1.47Å | |
| P1 | O1 | sing | 1.61Å | 1.69Å | |
| C6 | N1 | sing | 1.47Å | 1.53Å | |
| N1 | C15 | sing | 1.47Å | 1.52Å | |
| N1 | C18 | sing | 1.47Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O7 | sing | 1.45Å | 1.45Å | |
| C3 | O5 | sing | 1.45Å | 1.43Å | |
| O6 | C25 | doub | 1.21Å | 1.21Å | |
| O5 | C25 | sing | 1.34Å | 1.37Å | |
| O7 | C34 | sing | 1.34Å | 1.38Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | O8 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.53Å | 1.57Å | |
| C41 | C40 | sing | 1.53Å | 1.57Å | |
| C41 | C42 | sing | 1.51Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C42 | C5 | doub | 1.31Å | 1.34Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C5 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | C11 | sing | 1.53Å | 1.58Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.56Å | |
| C33 | C4 | sing | 1.53Å | 1.55Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C4 | C7 | sing | 1.53Å | 1.55Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C10 | C13 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C13 | C16 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C16 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C20 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| C21 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C22 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.09Å | 1.10Å | |
| C24 | H50 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H68 | sing | 1.09Å | 1.10Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C37 | H72 | sing | 1.09Å | 1.10Å | |
| C38 | H73 | sing | 1.09Å | 1.10Å | |
| C38 | H74 | sing | 1.09Å | 1.10Å | |
| C39 | H75 | sing | 1.09Å | 1.10Å | |
| C40 | H76 | sing | 1.09Å | 1.10Å | |
| C41 | H77 | sing | 1.09Å | 1.10Å | |
| C41 | H78 | sing | 1.09Å | 1.10Å | |
| C42 | H79 | sing | 1.08Å | 1.08Å | |
| C11 | H80 | sing | 1.09Å | 1.10Å | |
| C14 | H81 | sing | 1.09Å | 1.10Å | |
| C39 | H82 | sing | 1.09Å | 1.10Å | |
| C40 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C6 | 111.3° | 109.4° |
| C12 | N1 | C15 | 109.9° | 109.5° |
| C12 | N1 | C18 | 108.3° | 109.5° |
| N1 | C12 | H20 | 109.5° | 109.4° |
| N1 | C12 | H21 | 109.5° | 109.5° |
| N1 | C12 | H22 | 109.4° | 109.5° |
| O3 | P1 | O2 | 97.2° | 109.5° |
| O3 | P1 | O4 | 127.8° | 109.5° |
| O3 | P1 | O1 | 109.9° | 109.5° |
| C9 | O2 | P1 | 119.6° | 123.0° |
| O2 | C9 | C6 | 104.4° | 109.4° |
| O2 | C9 | H15 | 110.7° | 109.5° |
| O2 | C9 | H16 | 110.7° | 109.5° |
| O2 | P1 | O4 | 101.4° | 109.5° |
| O2 | P1 | O1 | 107.8° | 109.5° |
| C9 | C6 | N1 | 112.6° | 109.5° |
| C9 | C6 | H9 | 108.7° | 109.5° |
| C9 | C6 | H10 | 108.6° | 109.4° |
| C6 | C9 | H15 | 110.7° | 109.5° |
| C6 | C9 | H16 | 110.7° | 109.4° |
| O4 | P1 | O1 | 109.9° | 109.5° |
| P1 | O1 | C1 | 124.2° | 123.0° |
| C6 | N1 | C15 | 108.9° | 109.5° |
| C6 | N1 | C18 | 110.0° | 109.5° |
| N1 | C6 | H9 | 108.7° | 109.5° |
| N1 | C6 | H10 | 108.7° | 109.5° |
| C15 | N1 | C18 | 108.5° | 109.5° |
| N1 | C15 | H26 | 109.5° | 109.5° |
| N1 | C15 | H27 | 109.5° | 109.5° |
| N1 | C15 | H28 | 109.5° | 109.5° |
| N1 | C18 | H34 | 109.5° | 109.5° |
| N1 | C18 | H35 | 109.5° | 109.5° |
| N1 | C18 | H36 | 109.5° | 109.4° |
| O1 | C1 | C2 | 108.8° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| O1 | C1 | H2 | 109.6° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.4° |
| C1 | C2 | O7 | 111.9° | 109.4° |
| C2 | C1 | H1 | 109.6° | 109.5° |
| C2 | C1 | H2 | 109.7° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C3 | C2 | O7 | 104.8° | 109.5° |
| C2 | C3 | O5 | 109.2° | 109.5° |
| C3 | C2 | H3 | 109.6° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.6° | 109.5° |
| C2 | O7 | C34 | 125.5° | 117.0° |
| O7 | C2 | H3 | 110.9° | 109.5° |
| C3 | O5 | C25 | 118.9° | 117.0° |
| O5 | C3 | H4 | 109.5° | 109.4° |
| O5 | C3 | H5 | 109.5° | 109.5° |
| O6 | C25 | O5 | 121.4° | 120.0° |
| O6 | C25 | C26 | 123.8° | 120.0° |
| O5 | C25 | C26 | 114.7° | 120.0° |
| O7 | C34 | C35 | 112.9° | 120.0° |
| O7 | C34 | O8 | 120.6° | 120.0° |
| C25 | C26 | C27 | 114.0° | 109.5° |
| C25 | C26 | H51 | 108.3° | 109.5° |
| C25 | C26 | H52 | 108.3° | 109.5° |
| C35 | C34 | O8 | 126.5° | 120.0° |
| C34 | C35 | C36 | 116.2° | 109.5° |
| C34 | C35 | H67 | 107.8° | 109.5° |
| C34 | C35 | H68 | 107.7° | 109.5° |
| C26 | C27 | C28 | 113.9° | 109.4° |
| C27 | C26 | H51 | 108.3° | 109.4° |
| C27 | C26 | H52 | 108.3° | 109.5° |
| C26 | C27 | H53 | 108.3° | 109.4° |
| C26 | C27 | H54 | 108.3° | 109.5° |
| C35 | C36 | C37 | 117.4° | 109.5° |
| C36 | C35 | H67 | 107.7° | 109.4° |
| C36 | C35 | H68 | 107.8° | 109.5° |
| C35 | C36 | H69 | 107.4° | 109.4° |
| C35 | C36 | H70 | 107.4° | 109.5° |
| C27 | C28 | C29 | 115.9° | 109.4° |
| C28 | C27 | H53 | 108.4° | 109.5° |
| C28 | C27 | H54 | 108.3° | 109.5° |
| C27 | C28 | H55 | 107.9° | 109.4° |
| C27 | C28 | H56 | 107.8° | 109.5° |
| C36 | C37 | C38 | 117.1° | 109.5° |
| C37 | C36 | H69 | 107.4° | 109.4° |
| C37 | C36 | H70 | 107.5° | 109.6° |
| C36 | C37 | H71 | 107.5° | 109.4° |
| C36 | C37 | H72 | 107.5° | 109.5° |
| C28 | C29 | C30 | 114.4° | 109.5° |
| C29 | C28 | H55 | 107.8° | 109.4° |
| C29 | C28 | H56 | 107.8° | 109.5° |
| C28 | C29 | H57 | 108.2° | 109.4° |
| C28 | C29 | H58 | 108.2° | 109.5° |
| C37 | C38 | C39 | 114.1° | 109.5° |
| C38 | C37 | H71 | 107.6° | 109.4° |
| C38 | C37 | H72 | 107.6° | 109.5° |
| C37 | C38 | H73 | 108.3° | 109.4° |
| C37 | C38 | H74 | 108.3° | 109.5° |
| C29 | C30 | C31 | 117.1° | 109.5° |
| C30 | C29 | H57 | 108.2° | 109.5° |
| C30 | C29 | H58 | 108.2° | 109.5° |
| C29 | C30 | H59 | 107.5° | 109.5° |
| C29 | C30 | H60 | 107.5° | 109.4° |
| C38 | C39 | C40 | 116.0° | 109.5° |
| C39 | C38 | H73 | 108.3° | 109.5° |
| C39 | C38 | H74 | 108.3° | 109.5° |
| C38 | C39 | H75 | 107.8° | 109.4° |
| C38 | C39 | H82 | 107.8° | 109.5° |
| C39 | C40 | C41 | 119.8° | 109.4° |
| C40 | C39 | H75 | 107.8° | 109.5° |
| C39 | C40 | H76 | 106.8° | 109.5° |
| C40 | C39 | H82 | 107.8° | 109.5° |
| C39 | C40 | H83 | 106.8° | 109.5° |
| C40 | C41 | C42 | 113.6° | 109.4° |
| C41 | C40 | H76 | 106.8° | 109.5° |
| C40 | C41 | H77 | 108.4° | 109.5° |
| C40 | C41 | H78 | 108.4° | 109.5° |
| C41 | C40 | H83 | 106.8° | 109.4° |
| C41 | C42 | C5 | 129.7° | 119.9° |
| C42 | C41 | H77 | 108.4° | 109.5° |
| C42 | C41 | H78 | 108.4° | 109.4° |
| C41 | C42 | H79 | 115.2° | 120.0° |
| C30 | C31 | C32 | 115.7° | 109.5° |
| C31 | C30 | H59 | 107.5° | 109.5° |
| C31 | C30 | H60 | 107.5° | 109.5° |
| C30 | C31 | H61 | 107.9° | 109.5° |
| C30 | C31 | H62 | 107.9° | 109.4° |
| C42 | C5 | C8 | 129.2° | 120.0° |
| C42 | C5 | H8 | 115.4° | 119.9° |
| C5 | C42 | H79 | 115.2° | 120.0° |
| C31 | C32 | C33 | 115.2° | 109.5° |
| C32 | C31 | H61 | 107.9° | 109.4° |
| C32 | C31 | H62 | 107.9° | 109.5° |
| C31 | C32 | H63 | 108.0° | 109.5° |
| C31 | C32 | H64 | 108.0° | 109.5° |
| C5 | C8 | C11 | 118.3° | 109.5° |
| C8 | C5 | H8 | 115.4° | 120.0° |
| C5 | C8 | H13 | 107.2° | 109.5° |
| C5 | C8 | H14 | 107.2° | 109.4° |
| C8 | C11 | C14 | 116.3° | 109.4° |
| C11 | C8 | H13 | 107.2° | 109.5° |
| C11 | C8 | H14 | 107.2° | 109.5° |
| C8 | C11 | H19 | 107.8° | 109.5° |
| C8 | C11 | H80 | 107.7° | 109.5° |
| C32 | C33 | C4 | 115.1° | 109.5° |
| C33 | C32 | H63 | 108.0° | 109.4° |
| C33 | C32 | H64 | 108.0° | 109.5° |
| C32 | C33 | H65 | 108.0° | 109.5° |
| C32 | C33 | H66 | 108.1° | 109.4° |
| C11 | C14 | C17 | 115.5° | 109.5° |
| C14 | C11 | H19 | 107.7° | 109.4° |
| C11 | C14 | H25 | 107.9° | 109.5° |
| C14 | C11 | H80 | 107.7° | 109.5° |
| C11 | C14 | H81 | 107.9° | 109.5° |
| C33 | C4 | C7 | 116.2° | 109.5° |
| C33 | C4 | H6 | 107.8° | 109.5° |
| C33 | C4 | H7 | 107.7° | 109.5° |
| C4 | C33 | H65 | 108.0° | 109.5° |
| C4 | C33 | H66 | 108.0° | 109.5° |
| C14 | C17 | C20 | 114.0° | 109.5° |
| C17 | C14 | H25 | 108.0° | 109.4° |
| C14 | C17 | H32 | 108.3° | 109.4° |
| C14 | C17 | H33 | 108.3° | 109.4° |
| C17 | C14 | H81 | 107.9° | 109.5° |
| C4 | C7 | C10 | 115.1° | 109.5° |
| C7 | C4 | H6 | 107.8° | 109.4° |
| C7 | C4 | H7 | 107.8° | 109.5° |
| C4 | C7 | H11 | 108.1° | 109.4° |
| C4 | C7 | H12 | 108.1° | 109.4° |
| C17 | C20 | C22 | 117.0° | 109.4° |
| C20 | C17 | H32 | 108.3° | 109.5° |
| C20 | C17 | H33 | 108.3° | 109.5° |
| C17 | C20 | H39 | 107.5° | 109.5° |
| C17 | C20 | H40 | 107.5° | 109.5° |
| C7 | C10 | C13 | 114.6° | 109.5° |
| C10 | C7 | H11 | 108.0° | 109.5° |
| C10 | C7 | H12 | 108.0° | 109.5° |
| C7 | C10 | H17 | 108.1° | 109.5° |
| C7 | C10 | H18 | 108.2° | 109.5° |
| C20 | C22 | C23 | 108.9° | 109.5° |
| C22 | C20 | H39 | 107.5° | 109.5° |
| C22 | C20 | H40 | 107.6° | 109.5° |
| C20 | C22 | H44 | 109.6° | 109.5° |
| C20 | C22 | H45 | 109.6° | 109.5° |
| C10 | C13 | C16 | 113.4° | 109.5° |
| C13 | C10 | H17 | 108.2° | 109.5° |
| C13 | C10 | H18 | 108.1° | 109.4° |
| C10 | C13 | H23 | 108.5° | 109.5° |
| C10 | C13 | H24 | 108.5° | 109.4° |
| C22 | C23 | C24 | 115.7° | 109.5° |
| C23 | C22 | H44 | 109.7° | 109.5° |
| C23 | C22 | H45 | 109.6° | 109.4° |
| C22 | C23 | H46 | 107.9° | 109.5° |
| C22 | C23 | H47 | 107.9° | 109.4° |
| C13 | C16 | C19 | 112.7° | 109.5° |
| C16 | C13 | H23 | 108.5° | 109.5° |
| C16 | C13 | H24 | 108.5° | 109.4° |
| C13 | C16 | H30 | 108.7° | 109.5° |
| C13 | C16 | H31 | 108.7° | 109.5° |
| C24 | C23 | H46 | 107.9° | 109.5° |
| C24 | C23 | H47 | 107.9° | 109.5° |
| C23 | C24 | H48 | 109.5° | 109.5° |
| C23 | C24 | H49 | 109.5° | 109.4° |
| C23 | C24 | H50 | 109.4° | 109.4° |
| C16 | C19 | C21 | 113.2° | 109.5° |
| C19 | C16 | H30 | 108.7° | 109.4° |
| C19 | C16 | H31 | 108.6° | 109.4° |
| C16 | C19 | H37 | 108.5° | 109.5° |
| C16 | C19 | H38 | 108.6° | 109.4° |
| C21 | C19 | H37 | 108.5° | 109.5° |
| C21 | C19 | H38 | 108.5° | 109.5° |
| C19 | C21 | H41 | 109.5° | 109.5° |
| C19 | C21 | H42 | 109.5° | 109.4° |
| C19 | C21 | H43 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H19 | C11 | H80 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H20 | C12 | H22 | 109.5° | 109.4° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H25 | C14 | H81 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H26 | C15 | H28 | 109.4° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.4° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.5° |
| H34 | C18 | H35 | 109.5° | 109.5° |
| H34 | C18 | H36 | 109.5° | 109.5° |
| H35 | C18 | H36 | 109.4° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.4° |
| H39 | C20 | H40 | 109.5° | 109.5° |
| H41 | C21 | H42 | 109.5° | 109.4° |
| H41 | C21 | H43 | 109.4° | 109.5° |
| H42 | C21 | H43 | 109.5° | 109.5° |
| H44 | C22 | H45 | 109.5° | 109.5° |
| H46 | C23 | H47 | 109.5° | 109.4° |
| H48 | C24 | H49 | 109.5° | 109.5° |
| H48 | C24 | H50 | 109.5° | 109.5° |
| H49 | C24 | H50 | 109.5° | 109.5° |
| H51 | C26 | H52 | 109.5° | 109.5° |
| H53 | C27 | H54 | 109.5° | 109.5° |
| H55 | C28 | H56 | 109.5° | 109.5° |
| H57 | C29 | H58 | 109.5° | 109.4° |
| H59 | C30 | H60 | 109.5° | 109.4° |
| H61 | C31 | H62 | 109.5° | 109.5° |
| H63 | C32 | H64 | 109.5° | 109.5° |
| H65 | C33 | H66 | 109.5° | 109.5° |
| H67 | C35 | H68 | 109.5° | 109.4° |
| H69 | C36 | H70 | 109.5° | 109.5° |
| H71 | C37 | H72 | 109.4° | 109.5° |
| H73 | C38 | H74 | 109.5° | 109.4° |
| H75 | C39 | H82 | 109.4° | 109.4° |
| H76 | C40 | H83 | 109.5° | 109.5° |
| H77 | C41 | H78 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C6 | C9 | 55.8° | 67.3° |
| C12 | N1 | C6 | C15 | 121.3° | 120.0° |
| C12 | N1 | C6 | C18 | 120.0° | 120.0° |
| C12 | N1 | C15 | C18 | 118.2° | 120.0° |
| C12 | N1 | C6 | H9 | 176.3° | 52.7° |
| C12 | N1 | C6 | H10 | 64.6° | 172.7° |
| N1 | C12 | H20 | H21 | 120.0° | 120.0° |
| N1 | C12 | H20 | H22 | 120.0° | 120.0° |
| N1 | C12 | H21 | H22 | 120.0° | 120.0° |
| C12 | N1 | C15 | H26 | 180.0° | 60.0° |
| C12 | N1 | C15 | H27 | 60.0° | 60.0° |
| C12 | N1 | C15 | H28 | 60.0° | 180.0° |
| C12 | N1 | C18 | H34 | 180.0° | 180.0° |
| C12 | N1 | C18 | H35 | 60.0° | 60.0° |
| C12 | N1 | C18 | H36 | 60.0° | 60.0° |
| O3 | P1 | O2 | C9 | 157.2° | 65.0° |
| O3 | P1 | O2 | O4 | 131.0° | 120.0° |
| O3 | P1 | O2 | O1 | 113.6° | 120.0° |
| O3 | P1 | O4 | O1 | 137.6° | 120.0° |
| O3 | P1 | O1 | C1 | 98.3° | 65.0° |
| O2 | C9 | C6 | H15 | 119.2° | 120.0° |
| O2 | C9 | C6 | H16 | 119.2° | 120.0° |
| C9 | O2 | P1 | O4 | 26.2° | 55.0° |
| C9 | O2 | P1 | O1 | 89.2° | 175.0° |
| O2 | C9 | C6 | N1 | 173.0° | 68.0° |
| O2 | C9 | C6 | H9 | 66.6° | 52.0° |
| O2 | C9 | C6 | H10 | 52.5° | 172.0° |
| O2 | C9 | H15 | H16 | 122.3° | 120.0° |
| P1 | O2 | C9 | C6 | 147.1° | 180.0° |
| O2 | P1 | O4 | O1 | 113.9° | 120.0° |
| O2 | P1 | O1 | C1 | 6.6° | 175.0° |
| P1 | O2 | C9 | H15 | 93.7° | 60.0° |
| P1 | O2 | C9 | H16 | 27.9° | 60.0° |
| C9 | C6 | N1 | H9 | 120.5° | 120.0° |
| C9 | C6 | N1 | H10 | 120.4° | 119.9° |
| C9 | C6 | N1 | C15 | 177.1° | 52.7° |
| C9 | C6 | N1 | C18 | 64.1° | 172.6° |
| C9 | C6 | H9 | H10 | 118.5° | 119.9° |
| C6 | C9 | H15 | H16 | 122.4° | 120.0° |
| O4 | P1 | O1 | C1 | 116.2° | 55.0° |
| P1 | O1 | C1 | C2 | 81.6° | 180.0° |
| P1 | O1 | C1 | H1 | 38.3° | 60.0° |
| P1 | O1 | C1 | H2 | 158.5° | 60.0° |
| C6 | N1 | C15 | C18 | 119.7° | 120.0° |
| N1 | C6 | H9 | H10 | 118.6° | 120.0° |
| N1 | C6 | C9 | H15 | 53.8° | 172.0° |
| N1 | C6 | C9 | H16 | 67.9° | 51.9° |
| C6 | N1 | C12 | H20 | 180.0° | 166.0° |
| C6 | N1 | C12 | H21 | 60.0° | 46.0° |
| C6 | N1 | C12 | H22 | 60.0° | 74.1° |
| C6 | N1 | C15 | H26 | 57.9° | 180.0° |
| C6 | N1 | C15 | H27 | 62.2° | 60.0° |
| C6 | N1 | C15 | H28 | 177.9° | 60.0° |
| C6 | N1 | C18 | H34 | 58.2° | 60.0° |
| C6 | N1 | C18 | H35 | 178.2° | 60.0° |
| C6 | N1 | C18 | H36 | 61.8° | 180.0° |
| C15 | N1 | C6 | H9 | 62.4° | 172.7° |
| C15 | N1 | C6 | H10 | 56.6° | 67.3° |
| C15 | N1 | C12 | H20 | 59.3° | 74.0° |
| C15 | N1 | C12 | H21 | 60.7° | 166.0° |
| C15 | N1 | C12 | H22 | 179.3° | 45.9° |
| N1 | C15 | H26 | H27 | 120.0° | 120.0° |
| N1 | C15 | H26 | H28 | 120.0° | 120.0° |
| N1 | C15 | H27 | H28 | 120.0° | 120.0° |
| C15 | N1 | C18 | H34 | 60.8° | 60.0° |
| C15 | N1 | C18 | H35 | 59.2° | 180.0° |
| C15 | N1 | C18 | H36 | 179.2° | 60.0° |
| C18 | N1 | C6 | H9 | 56.3° | 67.3° |
| C18 | N1 | C6 | H10 | 175.4° | 52.7° |
| C18 | N1 | C12 | H20 | 59.0° | 46.0° |
| C18 | N1 | C12 | H21 | 179.1° | 74.0° |
| C18 | N1 | C12 | H22 | 61.0° | 165.9° |
| C18 | N1 | C15 | H26 | 61.8° | 60.0° |
| C18 | N1 | C15 | H27 | 178.2° | 180.0° |
| C18 | N1 | C15 | H28 | 58.2° | 60.0° |
| N1 | C18 | H34 | H35 | 120.0° | 120.0° |
| N1 | C18 | H34 | H36 | 120.0° | 120.0° |
| N1 | C18 | H35 | H36 | 120.0° | 119.9° |
| O1 | C1 | C2 | H1 | 119.9° | 120.0° |
| O1 | C1 | C2 | H2 | 119.9° | 120.0° |
| O1 | C1 | C2 | C3 | 152.7° | 55.0° |
| O1 | C1 | C2 | O7 | 91.1° | 65.0° |
| O1 | C1 | H1 | H2 | 120.3° | 120.0° |
| O1 | C1 | C2 | H3 | 32.1° | 175.0° |
| C1 | C2 | C3 | O7 | 120.6° | 120.0° |
| C1 | C2 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | O7 | H3 | 122.3° | 120.0° |
| C1 | C2 | C3 | O5 | 152.9° | 55.0° |
| C1 | C2 | O7 | C34 | 31.7° | 90.0° |
| C2 | C1 | H1 | H2 | 120.3° | 120.0° |
| C1 | C2 | C3 | H4 | 87.2° | 175.0° |
| C1 | C2 | C3 | H5 | 33.0° | 65.1° |
| C3 | C2 | O7 | H3 | 118.1° | 120.1° |
| C2 | C3 | O5 | H4 | 119.9° | 120.0° |
| C2 | C3 | O5 | H5 | 120.0° | 120.1° |
| C2 | C3 | O5 | C25 | 169.6° | 180.0° |
| C3 | C2 | O7 | C34 | 87.8° | 150.0° |
| C3 | C2 | C1 | H1 | 32.8° | 65.0° |
| C3 | C2 | C1 | H2 | 87.4° | 175.0° |
| C2 | C3 | H4 | H5 | 120.2° | 120.0° |
| O7 | C2 | C3 | O5 | 32.3° | 64.9° |
| C2 | O7 | C34 | C35 | 125.1° | 180.0° |
| C2 | O7 | C34 | O8 | 56.1° | 0.1° |
| O7 | C2 | C1 | H1 | 149.0° | 175.0° |
| O7 | C2 | C1 | H2 | 28.8° | 55.0° |
| O7 | C2 | C3 | H4 | 152.3° | 55.0° |
| O7 | C2 | C3 | H5 | 87.6° | 175.0° |
| C3 | O5 | C25 | O6 | 120.2° | 0.0° |
| C3 | O5 | C25 | C26 | 60.1° | 180.0° |
| O5 | C3 | C2 | H3 | 86.7° | 175.0° |
| O5 | C3 | H4 | H5 | 120.1° | 120.0° |
| O6 | C25 | O5 | C26 | 179.6° | 180.0° |
| O6 | C25 | C26 | C27 | 80.2° | 0.0° |
| O6 | C25 | C26 | H51 | 40.5° | 120.0° |
| O6 | C25 | C26 | H52 | 159.2° | 120.0° |
| O5 | C25 | C26 | C27 | 99.5° | 180.0° |
| C25 | O5 | C3 | H4 | 70.4° | 60.0° |
| C25 | O5 | C3 | H5 | 49.7° | 60.0° |
| O5 | C25 | C26 | H51 | 139.9° | 60.0° |
| O5 | C25 | C26 | H52 | 21.2° | 60.0° |
| O7 | C34 | C35 | O8 | 178.8° | 180.0° |
| O7 | C34 | C35 | C36 | 136.5° | 180.0° |
| C34 | O7 | C2 | H3 | 154.0° | 29.9° |
| O7 | C34 | C35 | H67 | 102.5° | 60.0° |
| O7 | C34 | C35 | H68 | 15.5° | 60.0° |
| C25 | C26 | C27 | H51 | 120.7° | 120.0° |
| C25 | C26 | C27 | H52 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 175.2° | 180.0° |
| C25 | C26 | H51 | H52 | 117.9° | 120.0° |
| C25 | C26 | C27 | H53 | 54.6° | 60.0° |
| C25 | C26 | C27 | H54 | 64.1° | 60.0° |
| C34 | C35 | C36 | H67 | 121.0° | 120.0° |
| C34 | C35 | C36 | H68 | 121.0° | 120.1° |
| C34 | C35 | C36 | C37 | 97.8° | 180.0° |
| C34 | C35 | H67 | H68 | 116.9° | 120.1° |
| C34 | C35 | C36 | H69 | 141.0° | 60.1° |
| C34 | C35 | C36 | H70 | 23.3° | 59.9° |
| O8 | C34 | C35 | C36 | 42.2° | 0.0° |
| O8 | C34 | C35 | H67 | 78.7° | 120.0° |
| O8 | C34 | C35 | H68 | 163.2° | 120.0° |
| C26 | C27 | C28 | H53 | 120.6° | 119.9° |
| C26 | C27 | C28 | H54 | 120.6° | 120.0° |
| C26 | C27 | C28 | C29 | 90.0° | 180.0° |
| C27 | C26 | H51 | H52 | 117.9° | 120.0° |
| C26 | C27 | H53 | H54 | 118.0° | 120.0° |
| C26 | C27 | C28 | H55 | 149.1° | 60.1° |
| C26 | C27 | C28 | H56 | 31.0° | 60.0° |
| C35 | C36 | C37 | H69 | 121.1° | 119.9° |
| C35 | C36 | C37 | H70 | 121.2° | 120.0° |
| C35 | C36 | C37 | C38 | 153.4° | 180.0° |
| C36 | C35 | H67 | H68 | 116.9° | 119.9° |
| C35 | C36 | H69 | H70 | 116.4° | 120.0° |
| C35 | C36 | C37 | H71 | 85.5° | 60.1° |
| C35 | C36 | C37 | H72 | 32.3° | 59.9° |
| C27 | C28 | C29 | H55 | 120.9° | 119.9° |
| C27 | C28 | C29 | H56 | 121.0° | 120.0° |
| C27 | C28 | C29 | C30 | 116.0° | 180.0° |
| C28 | C27 | C26 | H51 | 64.1° | 60.1° |
| C28 | C27 | C26 | H52 | 54.6° | 60.0° |
| C28 | C27 | H53 | H54 | 118.0° | 120.1° |
| C27 | C28 | H55 | H56 | 117.1° | 120.1° |
| C27 | C28 | C29 | H57 | 123.3° | 60.0° |
| C27 | C28 | C29 | H58 | 4.7° | 59.9° |
| C36 | C37 | C38 | H71 | 121.1° | 119.9° |
| C36 | C37 | C38 | H72 | 121.1° | 120.1° |
| C36 | C37 | C38 | C39 | 7.2° | 180.0° |
| C37 | C36 | C35 | H67 | 23.1° | 60.0° |
| C37 | C36 | C35 | H68 | 141.2° | 59.9° |
| C37 | C36 | H69 | H70 | 116.4° | 120.1° |
| C36 | C37 | H71 | H72 | 116.5° | 120.0° |
| C36 | C37 | C38 | H73 | 113.5° | 60.0° |
| C36 | C37 | C38 | H74 | 127.9° | 59.9° |
| C28 | C29 | C30 | H57 | 120.7° | 120.0° |
| C28 | C29 | C30 | H58 | 120.7° | 120.0° |
| C28 | C29 | C30 | C31 | 161.1° | 179.9° |
| C29 | C28 | C27 | H53 | 30.7° | 60.1° |
| C29 | C28 | C27 | H54 | 149.4° | 60.0° |
| C29 | C28 | H55 | H56 | 117.1° | 120.0° |
| C28 | C29 | H57 | H58 | 117.8° | 120.0° |
| C28 | C29 | C30 | H59 | 77.8° | 60.0° |
| C28 | C29 | C30 | H60 | 39.9° | 60.0° |
| C37 | C38 | C39 | H73 | 120.7° | 120.0° |
| C37 | C38 | C39 | H74 | 120.7° | 120.1° |
| C37 | C38 | C39 | C40 | 140.4° | 180.0° |
| C38 | C37 | C36 | H69 | 32.3° | 60.1° |
| C38 | C37 | C36 | H70 | 85.4° | 60.0° |
| C38 | C37 | H71 | H72 | 116.6° | 120.0° |
| C37 | C38 | H73 | H74 | 117.9° | 120.0° |
| C37 | C38 | C39 | H75 | 19.4° | 60.0° |
| C37 | C38 | C39 | H82 | 98.6° | 59.9° |
| C29 | C30 | C31 | H59 | 121.1° | 120.1° |
| C29 | C30 | C31 | H60 | 121.1° | 120.0° |
| C29 | C30 | C31 | C32 | 142.2° | 180.0° |
| C30 | C29 | C28 | H55 | 4.9° | 60.0° |
| C30 | C29 | C28 | H56 | 123.0° | 60.0° |
| C30 | C29 | H57 | H58 | 117.8° | 120.0° |
| C29 | C30 | H59 | H60 | 116.5° | 119.9° |
| C29 | C30 | C31 | H61 | 96.9° | 60.0° |
| C29 | C30 | C31 | H62 | 21.3° | 60.1° |
| C38 | C39 | C40 | H75 | 121.0° | 120.0° |
| C38 | C39 | C40 | H82 | 121.0° | 120.0° |
| C38 | C39 | C40 | C41 | 176.4° | 180.0° |
| C39 | C38 | C37 | H71 | 128.3° | 60.0° |
| C39 | C38 | C37 | H72 | 113.9° | 60.0° |
| C39 | C38 | H73 | H74 | 117.9° | 120.0° |
| C38 | C39 | H75 | H82 | 117.0° | 120.0° |
| C38 | C39 | C40 | H76 | 54.9° | 60.0° |
| C38 | C39 | C40 | H83 | 62.2° | 60.0° |
| C39 | C40 | C41 | H76 | 121.4° | 120.0° |
| C39 | C40 | C41 | H83 | 121.4° | 120.0° |
| C39 | C40 | C41 | C42 | 69.6° | 180.0° |
| C40 | C39 | C38 | H73 | 98.9° | 60.0° |
| C40 | C39 | C38 | H74 | 19.7° | 60.0° |
| C40 | C39 | H75 | H82 | 117.0° | 120.0° |
| C39 | C40 | H76 | H83 | 115.3° | 120.1° |
| C39 | C40 | C41 | H77 | 169.7° | 60.0° |
| C39 | C40 | C41 | H78 | 51.0° | 60.1° |
| C40 | C41 | C42 | H77 | 120.6° | 120.0° |
| C40 | C41 | C42 | H78 | 120.6° | 120.0° |
| C40 | C41 | C42 | C5 | 126.3° | 127.0° |
| C41 | C40 | C39 | H75 | 62.6° | 60.0° |
| C41 | C40 | H76 | H83 | 115.3° | 120.0° |
| C40 | C41 | H77 | H78 | 118.1° | 120.1° |
| C40 | C41 | C42 | H79 | 53.8° | 53.0° |
| C41 | C40 | C39 | H82 | 55.4° | 60.0° |
| C41 | C42 | C5 | H79 | 180.0° | 179.9° |
| C41 | C42 | C5 | C8 | 0.6° | 7.4° |
| C41 | C42 | C5 | H8 | 179.4° | 172.5° |
| C42 | C41 | C40 | H76 | 51.8° | 60.0° |
| C42 | C41 | H77 | H78 | 118.1° | 119.9° |
| C42 | C41 | C40 | H83 | 168.9° | 60.0° |
| C30 | C31 | C32 | H61 | 120.9° | 120.0° |
| C30 | C31 | C32 | H62 | 120.9° | 120.0° |
| C30 | C31 | C32 | C33 | 132.8° | 179.9° |
| C31 | C30 | C29 | H57 | 40.3° | 60.0° |
| C31 | C30 | C29 | H58 | 78.3° | 60.0° |
| C31 | C30 | H59 | H60 | 116.5° | 120.0° |
| C30 | C31 | H61 | H62 | 117.2° | 120.0° |
| C30 | C31 | C32 | H63 | 106.4° | 60.0° |
| C30 | C31 | C32 | H64 | 11.9° | 60.0° |
| C42 | C5 | C8 | H8 | 180.0° | 180.0° |
| C42 | C5 | C8 | C11 | 179.2° | 127.0° |
| C42 | C5 | C8 | H13 | 59.5° | 113.0° |
| C42 | C5 | C8 | H14 | 57.9° | 7.0° |
| C5 | C42 | C41 | H77 | 5.6° | 7.0° |
| C5 | C42 | C41 | H78 | 113.1° | 113.0° |
| C31 | C32 | C33 | H63 | 120.8° | 120.0° |
| C31 | C32 | C33 | H64 | 120.8° | 120.0° |
| C31 | C32 | C33 | C4 | 144.4° | 180.0° |
| C32 | C31 | C30 | H59 | 21.1° | 60.0° |
| C32 | C31 | C30 | H60 | 96.7° | 60.0° |
| C32 | C31 | H61 | H62 | 117.1° | 120.0° |
| C31 | C32 | H63 | H64 | 117.4° | 120.0° |
| C31 | C32 | C33 | H65 | 94.7° | 60.0° |
| C31 | C32 | C33 | H66 | 23.6° | 60.0° |
| C5 | C8 | C11 | H13 | 121.3° | 120.0° |
| C5 | C8 | C11 | H14 | 121.3° | 120.0° |
| C5 | C8 | C11 | C14 | 118.0° | 180.0° |
| C5 | C8 | H13 | H14 | 116.0° | 119.9° |
| C5 | C8 | C11 | H19 | 121.0° | 60.0° |
| C8 | C5 | C42 | H79 | 179.4° | 172.5° |
| C5 | C8 | C11 | H80 | 3.0° | 60.1° |
| C8 | C11 | C14 | H19 | 121.0° | 120.0° |
| C8 | C11 | C14 | H80 | 121.0° | 120.0° |
| C8 | C11 | C14 | C17 | 173.2° | 180.0° |
| C11 | C8 | C5 | H8 | 0.8° | 53.0° |
| C11 | C8 | H13 | H14 | 116.0° | 120.0° |
| C8 | C11 | H19 | H80 | 116.9° | 120.1° |
| C8 | C11 | C14 | H25 | 52.3° | 60.0° |
| C8 | C11 | C14 | H81 | 66.0° | 60.0° |
| C32 | C33 | C4 | H65 | 120.8° | 120.0° |
| C32 | C33 | C4 | H66 | 120.9° | 120.0° |
| C32 | C33 | C4 | C7 | 135.2° | 180.0° |
| C32 | C33 | C4 | H6 | 103.8° | 60.0° |
| C32 | C33 | C4 | H7 | 14.2° | 60.0° |
| C33 | C32 | C31 | H61 | 11.9° | 60.0° |
| C33 | C32 | C31 | H62 | 106.3° | 60.0° |
| C33 | C32 | H63 | H64 | 117.4° | 120.0° |
| C32 | C33 | H65 | H66 | 117.4° | 120.0° |
| C11 | C14 | C17 | H25 | 120.9° | 120.0° |
| C11 | C14 | C17 | H81 | 120.8° | 120.1° |
| C11 | C14 | C17 | C20 | 160.2° | 180.0° |
| C14 | C11 | C8 | H13 | 3.3° | 60.0° |
| C14 | C11 | C8 | H14 | 120.7° | 60.0° |
| C14 | C11 | H19 | H80 | 116.9° | 120.0° |
| C11 | C14 | H25 | H81 | 117.2° | 120.1° |
| C11 | C14 | C17 | H32 | 79.1° | 60.0° |
| C11 | C14 | C17 | H33 | 39.6° | 60.0° |
| C33 | C4 | C7 | H6 | 121.0° | 120.0° |
| C33 | C4 | C7 | H7 | 121.0° | 120.0° |
| C33 | C4 | C7 | C10 | 139.5° | 180.0° |
| C33 | C4 | H6 | H7 | 116.9° | 120.0° |
| C33 | C4 | C7 | H11 | 99.7° | 60.0° |
| C33 | C4 | C7 | H12 | 18.7° | 60.0° |
| C4 | C33 | C32 | H63 | 23.6° | 60.0° |
| C4 | C33 | C32 | H64 | 94.7° | 60.0° |
| C4 | C33 | H65 | H66 | 117.4° | 120.1° |
| C14 | C17 | C20 | H32 | 120.7° | 119.9° |
| C14 | C17 | C20 | H33 | 120.7° | 120.0° |
| C14 | C17 | C20 | C22 | 162.3° | 180.0° |
| C17 | C14 | C11 | H19 | 65.8° | 60.0° |
| C17 | C14 | H25 | H81 | 117.3° | 120.0° |
| C14 | C17 | H32 | H33 | 117.9° | 120.0° |
| C14 | C17 | C20 | H39 | 76.6° | 60.1° |
| C14 | C17 | C20 | H40 | 41.3° | 59.9° |
| C17 | C14 | C11 | H80 | 52.2° | 60.0° |
| C4 | C7 | C10 | H11 | 120.8° | 120.0° |
| C4 | C7 | C10 | H12 | 120.8° | 119.9° |
| C4 | C7 | C10 | C13 | 174.8° | 180.0° |
| C7 | C4 | H6 | H7 | 117.0° | 119.9° |
| C4 | C7 | H11 | H12 | 117.5° | 120.0° |
| C4 | C7 | C10 | H17 | 54.1° | 59.9° |
| C4 | C7 | C10 | H18 | 64.5° | 60.1° |
| C7 | C4 | C33 | H65 | 14.3° | 60.0° |
| C7 | C4 | C33 | H66 | 104.0° | 60.0° |
| C17 | C20 | C22 | H39 | 121.1° | 120.0° |
| C17 | C20 | C22 | H40 | 121.1° | 120.0° |
| C17 | C20 | C22 | C23 | 167.2° | 180.0° |
| C20 | C17 | C14 | H25 | 39.4° | 60.0° |
| C20 | C17 | H32 | H33 | 117.9° | 120.1° |
| C17 | C20 | H39 | H40 | 116.6° | 120.0° |
| C17 | C20 | C22 | H44 | 72.9° | 60.0° |
| C17 | C20 | C22 | H45 | 47.3° | 60.0° |
| C20 | C17 | C14 | H81 | 78.9° | 59.9° |
| C7 | C10 | C13 | H17 | 120.7° | 120.1° |
| C7 | C10 | C13 | H18 | 120.7° | 120.0° |
| C7 | C10 | C13 | C16 | 126.2° | 180.0° |
| C10 | C7 | C4 | H6 | 18.5° | 60.0° |
| C10 | C7 | C4 | H7 | 99.6° | 59.9° |
| C10 | C7 | H11 | H12 | 117.4° | 120.0° |
| C7 | C10 | H17 | H18 | 117.7° | 120.0° |
| C7 | C10 | C13 | H23 | 113.2° | 59.9° |
| C7 | C10 | C13 | H24 | 5.6° | 60.1° |
| C20 | C22 | C23 | H44 | 119.9° | 120.0° |
| C20 | C22 | C23 | H45 | 119.9° | 120.0° |
| C20 | C22 | C23 | C24 | 168.3° | 180.0° |
| C22 | C20 | C17 | H32 | 41.6° | 60.0° |
| C22 | C20 | C17 | H33 | 77.0° | 60.0° |
| C22 | C20 | H39 | H40 | 116.6° | 120.0° |
| C20 | C22 | H44 | H45 | 120.3° | 120.0° |
| C20 | C22 | C23 | H46 | 70.8° | 60.0° |
| C20 | C22 | C23 | H47 | 47.4° | 60.0° |
| C10 | C13 | C16 | H23 | 120.6° | 120.1° |
| C10 | C13 | C16 | H24 | 120.6° | 119.9° |
| C10 | C13 | C16 | C19 | 177.5° | 180.0° |
| C13 | C10 | C7 | H11 | 64.3° | 60.0° |
| C13 | C10 | C7 | H12 | 54.0° | 60.1° |
| C13 | C10 | H17 | H18 | 117.7° | 120.0° |
| C10 | C13 | H23 | H24 | 118.2° | 120.0° |
| C10 | C13 | C16 | H30 | 57.0° | 60.0° |
| C10 | C13 | C16 | H31 | 62.0° | 60.1° |
| C22 | C23 | C24 | H46 | 120.9° | 120.0° |
| C22 | C23 | C24 | H47 | 120.9° | 120.0° |
| C23 | C22 | C20 | H39 | 46.1° | 60.0° |
| C23 | C22 | C20 | H40 | 71.8° | 60.0° |
| C23 | C22 | H44 | H45 | 120.3° | 120.0° |
| C22 | C23 | H46 | H47 | 117.2° | 119.9° |
| C22 | C23 | C24 | H48 | 180.0° | 180.0° |
| C22 | C23 | C24 | H49 | 60.0° | 60.0° |
| C22 | C23 | C24 | H50 | 60.0° | 60.0° |
| C13 | C16 | C19 | H30 | 120.5° | 120.0° |
| C13 | C16 | C19 | H31 | 120.5° | 120.0° |
| C13 | C16 | C19 | C21 | 153.1° | 180.0° |
| C16 | C13 | C10 | H17 | 5.4° | 59.9° |
| C16 | C13 | C10 | H18 | 113.1° | 60.0° |
| C16 | C13 | H23 | H24 | 118.2° | 120.0° |
| C13 | C16 | H30 | H31 | 118.5° | 120.0° |
| C13 | C16 | C19 | H37 | 86.4° | 59.9° |
| C13 | C16 | C19 | H38 | 32.6° | 60.0° |
| C24 | C23 | C22 | H44 | 48.3° | 60.0° |
| C24 | C23 | C22 | H45 | 71.9° | 60.0° |
| C24 | C23 | H46 | H47 | 117.1° | 120.0° |
| C23 | C24 | H48 | H49 | 120.0° | 120.0° |
| C23 | C24 | H48 | H50 | 120.0° | 119.9° |
| C23 | C24 | H49 | H50 | 120.0° | 119.9° |
| C16 | C19 | C21 | H37 | 120.5° | 120.0° |
| C16 | C19 | C21 | H38 | 120.6° | 120.0° |
| C19 | C16 | C13 | H23 | 61.9° | 59.9° |
| C19 | C16 | C13 | H24 | 57.0° | 60.0° |
| C19 | C16 | H30 | H31 | 118.5° | 120.0° |
| C16 | C19 | H37 | H38 | 118.3° | 119.9° |
| C16 | C19 | C21 | H41 | 180.0° | 59.9° |
| C16 | C19 | C21 | H42 | 60.0° | 60.0° |
| C16 | C19 | C21 | H43 | 60.0° | 180.0° |
| C21 | C19 | C16 | H30 | 32.6° | 60.0° |
| C21 | C19 | C16 | H31 | 86.4° | 60.0° |
| C21 | C19 | H37 | H38 | 118.3° | 120.0° |
| C19 | C21 | H41 | H42 | 120.0° | 119.9° |
| C19 | C21 | H41 | H43 | 120.0° | 120.1° |
| C19 | C21 | H42 | H43 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 87.8° | 55.0° |
| H2 | C1 | C2 | H3 | 152.0° | 65.0° |
| H3 | C2 | C3 | H4 | 33.2° | 65.0° |
| H3 | C2 | C3 | H5 | 153.3° | 54.9° |
| H6 | C4 | C7 | H11 | 139.3° | 60.0° |
| H6 | C4 | C7 | H12 | 102.3° | 180.0° |
| H6 | C4 | C33 | H65 | 135.3° | 180.0° |
| H6 | C4 | C33 | H66 | 17.0° | 60.0° |
| H7 | C4 | C7 | H11 | 21.3° | 180.0° |
| H7 | C4 | C7 | H12 | 139.6° | 60.0° |
| H7 | C4 | C33 | H65 | 106.6° | 60.0° |
| H7 | C4 | C33 | H66 | 135.0° | 180.0° |
| H8 | C5 | C8 | H13 | 120.5° | 67.0° |
| H8 | C5 | C8 | H14 | 122.1° | 173.1° |
| H8 | C5 | C42 | H79 | 0.7° | 7.5° |
| H9 | C6 | C9 | H15 | 174.2° | 68.0° |
| H9 | C6 | C9 | H16 | 52.6° | 171.9° |
| H10 | C6 | C9 | H15 | 66.7° | 52.0° |
| H10 | C6 | C9 | H16 | 171.6° | 68.1° |
| H11 | C7 | C10 | H17 | 174.9° | 179.9° |
| H11 | C7 | C10 | H18 | 56.4° | 59.9° |
| H12 | C7 | C10 | H17 | 66.8° | 60.0° |
| H12 | C7 | C10 | H18 | 174.7° | 180.0° |
| H13 | C8 | C11 | H19 | 117.7° | 179.9° |
| H13 | C8 | C11 | H80 | 124.3° | 60.0° |
| H14 | C8 | C11 | H19 | 0.3° | 59.9° |
| H14 | C8 | C11 | H80 | 118.3° | 180.0° |
| H17 | C10 | C13 | H23 | 126.0° | 180.0° |
| H17 | C10 | C13 | H24 | 115.1° | 60.0° |
| H18 | C10 | C13 | H23 | 7.5° | 60.0° |
| H18 | C10 | C13 | H24 | 126.4° | 180.0° |
| H19 | C11 | C14 | H25 | 173.3° | 180.0° |
| H19 | C11 | C14 | H81 | 55.1° | 60.0° |
| H20 | C12 | H21 | H22 | 120.0° | 120.0° |
| H23 | C13 | C16 | H30 | 177.6° | 179.9° |
| H23 | C13 | C16 | H31 | 58.6° | 60.0° |
| H24 | C13 | C16 | H30 | 63.5° | 59.9° |
| H24 | C13 | C16 | H31 | 177.4° | 180.0° |
| H25 | C14 | C17 | H32 | 160.0° | 180.0° |
| H25 | C14 | C17 | H33 | 81.3° | 60.0° |
| H25 | C14 | C11 | H80 | 68.7° | 59.9° |
| H26 | C15 | H27 | H28 | 120.0° | 120.0° |
| H30 | C16 | C19 | H37 | 153.1° | 180.0° |
| H30 | C16 | C19 | H38 | 87.9° | 60.0° |
| H31 | C16 | C19 | H37 | 34.1° | 60.0° |
| H31 | C16 | C19 | H38 | 153.0° | 180.0° |
| H32 | C17 | C20 | H39 | 162.7° | 180.0° |
| H32 | C17 | C20 | H40 | 79.4° | 60.0° |
| H32 | C17 | C14 | H81 | 41.7° | 60.0° |
| H33 | C17 | C20 | H39 | 44.1° | 59.9° |
| H33 | C17 | C20 | H40 | 161.9° | 179.9° |
| H33 | C17 | C14 | H81 | 160.4° | 180.0° |
| H34 | C18 | H35 | H36 | 120.0° | 120.1° |
| H37 | C19 | C21 | H41 | 59.4° | 180.0° |
| H37 | C19 | C21 | H42 | 179.5° | 60.0° |
| H37 | C19 | C21 | H43 | 60.5° | 60.0° |
| H38 | C19 | C21 | H41 | 59.5° | 60.1° |
| H38 | C19 | C21 | H42 | 60.6° | 180.0° |
| H38 | C19 | C21 | H43 | 179.4° | 60.0° |
| H39 | C20 | C22 | H44 | 166.0° | 180.0° |
| H39 | C20 | C22 | H45 | 73.8° | 59.9° |
| H40 | C20 | C22 | H44 | 48.1° | 60.0° |
| H40 | C20 | C22 | H45 | 168.3° | 180.0° |
| H41 | C21 | H42 | H43 | 120.0° | 120.0° |
| H44 | C22 | C23 | H46 | 169.3° | 179.9° |
| H44 | C22 | C23 | H47 | 72.6° | 60.0° |
| H45 | C22 | C23 | H46 | 49.1° | 60.0° |
| H45 | C22 | C23 | H47 | 167.3° | 180.0° |
| H46 | C23 | C24 | H48 | 59.1° | 59.9° |
| H46 | C23 | C24 | H49 | 179.1° | 180.0° |
| H46 | C23 | C24 | H50 | 60.9° | 60.0° |
| H47 | C23 | C24 | H48 | 59.1° | 60.0° |
| H47 | C23 | C24 | H49 | 60.9° | 60.0° |
| H47 | C23 | C24 | H50 | 179.1° | 180.0° |
| H48 | C24 | H49 | H50 | 120.0° | 120.1° |
| H51 | C26 | C27 | H53 | 175.3° | 180.0° |
| H51 | C26 | C27 | H54 | 56.6° | 60.0° |
| H52 | C26 | C27 | H53 | 66.1° | 60.0° |
| H52 | C26 | C27 | H54 | 175.2° | 180.0° |
| H53 | C27 | C28 | H55 | 90.2° | 180.0° |
| H53 | C27 | C28 | H56 | 151.6° | 60.0° |
| H54 | C27 | C28 | H55 | 28.5° | 59.9° |
| H54 | C27 | C28 | H56 | 89.6° | NaN° |
| H55 | C28 | C29 | H57 | 115.8° | 179.9° |
| H55 | C28 | C29 | H58 | 125.6° | 60.0° |
| H56 | C28 | C29 | H57 | 2.3° | 60.0° |
| H56 | C28 | C29 | H58 | 116.3° | 180.0° |
| H57 | C29 | C30 | H59 | 161.4° | 180.0° |
| H57 | C29 | C30 | H60 | 80.8° | 60.0° |
| H58 | C29 | C30 | H59 | 42.8° | 60.1° |
| H58 | C29 | C30 | H60 | 160.6° | 180.0° |
| H59 | C30 | C31 | H61 | 142.0° | 180.0° |
| H59 | C30 | C31 | H62 | 99.8° | 60.0° |
| H60 | C30 | C31 | H61 | 24.2° | 60.0° |
| H60 | C30 | C31 | H62 | 142.4° | 180.0° |
| H61 | C31 | C32 | H63 | 132.7° | 180.0° |
| H61 | C31 | C32 | H64 | 109.0° | 60.0° |
| H62 | C31 | C32 | H63 | 14.5° | 60.0° |
| H62 | C31 | C32 | H64 | 132.8° | 180.0° |
| H63 | C32 | C33 | H65 | 144.4° | 60.0° |
| H63 | C32 | C33 | H66 | 97.2° | 180.0° |
| H64 | C32 | C33 | H65 | 26.1° | 180.0° |
| H64 | C32 | C33 | H66 | 144.4° | 60.0° |
| H67 | C35 | C36 | H69 | 98.0° | 179.9° |
| H67 | C35 | C36 | H70 | 144.3° | 60.1° |
| H68 | C35 | C36 | H69 | 20.1° | 60.0° |
| H68 | C35 | C36 | H70 | 97.6° | 180.0° |
| H69 | C36 | C37 | H71 | 153.4° | 180.0° |
| H69 | C36 | C37 | H72 | 88.8° | 60.0° |
| H70 | C36 | C37 | H71 | 35.7° | 59.9° |
| H70 | C36 | C37 | H72 | 153.5° | 179.9° |
| H71 | C37 | C38 | H73 | 7.6° | 180.0° |
| H71 | C37 | C38 | H74 | 111.0° | 60.0° |
| H72 | C37 | C38 | H73 | 125.4° | 60.0° |
| H72 | C37 | C38 | H74 | 6.8° | 180.0° |
| H73 | C38 | C39 | H75 | 140.1° | 180.0° |
| H73 | C38 | C39 | H82 | 22.1° | 60.0° |
| H74 | C38 | C39 | H75 | 101.3° | 60.1° |
| H74 | C38 | C39 | H82 | 140.7° | 180.0° |
| H75 | C39 | C40 | H76 | 175.9° | 180.0° |
| H75 | C39 | C40 | H83 | 58.8° | 60.0° |
| H76 | C40 | C41 | H77 | 68.8° | 180.0° |
| H76 | C40 | C41 | H78 | 172.4° | 59.9° |
| H76 | C40 | C39 | H82 | 66.0° | 60.0° |
| H77 | C41 | C42 | H79 | 174.4° | 173.1° |
| H77 | C41 | C40 | H83 | 48.3° | 60.0° |
| H78 | C41 | C42 | H79 | 66.9° | 66.9° |
| H78 | C41 | C40 | H83 | 70.5° | 179.9° |
| H80 | C11 | C14 | H81 | 173.0° | 180.0° |
| H82 | C39 | C40 | H83 | 176.9° | 180.0° |
