JQ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C5 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | O6 | sing | 1.43Å | 1.44Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | O9 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| O6 | C4 | sing | 1.43Å | 1.42Å | |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| C7 | O10 | sing | 1.43Å | 1.42Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C4 | O5 | sing | 1.43Å | 1.39Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.35Å | 1.32Å | |
| C2 | O5 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| O7 | C3 | doub | 1.21Å | 1.23Å | |
| C3 | C1 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | sing | 1.46Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| N2 | C15 | sing | 1.35Å | 1.33Å | |
| O1 | P1 | sing | 1.61Å | 1.60Å | |
| O15 | C20 | doub | 1.21Å | 1.20Å | |
| C15 | O11 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | O13 | sing | 1.34Å | 1.34Å | |
| O4 | P1 | sing | 1.61Å | 1.61Å | |
| O4 | C17 | sing | 1.43Å | 1.45Å | |
| P1 | O2 | doub | 1.48Å | 1.50Å | |
| P1 | O3 | sing | 1.61Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | C28 | sing | 1.53Å | 1.49Å | |
| O13 | C19 | sing | 1.45Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O12 | sing | 1.45Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| O12 | C25 | sing | 1.34Å | 1.35Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| C25 | O14 | doub | 1.21Å | 1.19Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C50 | sing | 1.53Å | 1.50Å | |
| C50 | C51 | sing | 1.53Å | 1.50Å | |
| C51 | C52 | sing | 1.53Å | 1.50Å | |
| C52 | C53 | sing | 1.53Å | 1.51Å | |
| C53 | C54 | sing | 1.53Å | 1.51Å | |
| C54 | C55 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | 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 | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O3 | H73 | sing | 0.97Å | 0.95Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| O9 | H23 | sing | 0.97Å | 0.95Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C33 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C50 | H60 | sing | 1.09Å | 1.10Å | |
| C50 | H61 | sing | 1.09Å | 1.10Å | |
| C51 | H62 | sing | 1.09Å | 1.10Å | |
| C51 | H63 | sing | 1.09Å | 1.10Å | |
| C52 | H64 | sing | 1.09Å | 1.10Å | |
| C52 | H65 | sing | 1.09Å | 1.10Å | |
| C53 | H66 | sing | 1.09Å | 1.10Å | |
| C53 | H67 | sing | 1.09Å | 1.10Å | |
| C54 | H68 | sing | 1.09Å | 1.10Å | |
| C54 | H69 | sing | 1.09Å | 1.10Å | |
| C55 | H72 | sing | 1.09Å | 1.10Å | |
| C55 | H70 | sing | 1.09Å | 1.10Å | |
| C55 | H71 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C14 | C5 | 111.1° | 109.4° |
| O8 | C14 | H21 | 109.1° | 109.4° |
| O8 | C14 | H20 | 109.1° | 109.5° |
| C14 | O8 | H22 | 109.5° | 114.0° |
| C14 | C5 | C6 | 115.6° | 109.4° |
| C14 | C5 | O6 | 107.3° | 109.5° |
| C5 | C14 | H21 | 109.1° | 109.5° |
| C5 | C14 | H20 | 109.1° | 109.6° |
| C14 | C5 | H6 | 106.9° | 109.4° |
| C12 | C11 | C10 | 115.1° | 109.5° |
| C11 | C12 | C13 | 116.5° | 109.5° |
| C12 | C11 | H15 | 108.0° | 109.4° |
| C12 | C11 | H14 | 108.0° | 109.5° |
| C11 | C12 | H16 | 107.7° | 109.5° |
| C11 | C12 | H17 | 107.7° | 109.5° |
| C11 | C10 | C9 | 114.2° | 109.5° |
| C11 | C10 | H13 | 108.3° | 109.4° |
| C11 | C10 | H12 | 108.3° | 109.5° |
| C10 | C11 | H15 | 108.0° | 109.5° |
| C10 | C11 | H14 | 108.0° | 109.5° |
| C13 | C12 | H16 | 107.7° | 109.5° |
| C13 | C12 | H17 | 107.7° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C12 | C13 | H36 | 109.5° | 109.4° |
| C12 | C13 | H18 | 109.5° | 109.4° |
| C6 | C5 | O6 | 112.0° | 109.4° |
| C5 | C6 | O9 | 113.0° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.1° |
| C6 | C5 | H6 | 106.8° | 109.5° |
| C5 | C6 | H7 | 107.7° | 109.6° |
| C5 | O6 | C4 | 115.1° | 114.1° |
| O6 | C5 | H6 | 107.9° | 109.5° |
| C10 | C9 | N1 | 113.3° | 109.5° |
| C9 | C10 | H13 | 108.2° | 109.5° |
| C9 | C10 | H12 | 108.3° | 109.4° |
| C10 | C9 | H11 | 108.5° | 109.5° |
| C10 | C9 | H10 | 108.5° | 109.4° |
| O9 | C6 | C7 | 108.7° | 109.5° |
| O9 | C6 | H7 | 109.0° | 109.6° |
| C6 | O9 | H23 | 109.5° | 114.0° |
| C6 | C7 | O10 | 110.5° | 109.6° |
| C6 | C7 | C8 | 111.8° | 109.1° |
| C7 | C6 | H7 | 107.8° | 109.6° |
| C6 | C7 | H8 | 108.5° | 109.6° |
| O6 | C4 | O5 | 108.4° | 109.5° |
| O6 | C4 | C8 | 111.3° | 109.5° |
| O6 | C4 | H5 | 110.3° | 109.5° |
| C9 | N1 | C3 | 122.6° | 120.0° |
| N1 | C9 | H11 | 108.5° | 109.5° |
| N1 | C9 | H10 | 108.5° | 109.5° |
| C9 | N1 | H4 | 118.7° | 120.0° |
| O10 | C7 | C8 | 107.6° | 109.5° |
| O10 | C7 | H8 | 109.9° | 109.5° |
| C7 | O10 | H24 | 109.5° | 114.0° |
| C7 | C8 | C4 | 111.3° | 109.1° |
| C7 | C8 | N2 | 112.2° | 109.6° |
| C8 | C7 | H8 | 108.5° | 109.6° |
| C7 | C8 | H9 | 107.9° | 109.5° |
| O5 | C4 | C8 | 107.2° | 109.5° |
| C4 | O5 | C2 | 114.7° | 114.0° |
| O5 | C4 | H5 | 110.8° | 109.4° |
| C4 | C8 | N2 | 108.4° | 109.5° |
| C8 | C4 | H5 | 108.9° | 109.5° |
| C4 | C8 | H9 | 107.9° | 109.5° |
| N1 | C3 | O7 | 123.0° | 119.9° |
| N1 | C3 | C1 | 117.9° | 120.1° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| O5 | C2 | C1 | 108.8° | 109.5° |
| O5 | C2 | H3 | 109.6° | 109.5° |
| O5 | C2 | H2 | 109.6° | 109.4° |
| C2 | C1 | C3 | 110.2° | 109.5° |
| C2 | C1 | O1 | 107.8° | 109.4° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H3 | 109.6° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.4° |
| O7 | C3 | C1 | 119.1° | 120.0° |
| C3 | C1 | O1 | 110.5° | 109.5° |
| C3 | C1 | H1 | 109.0° | 109.5° |
| C8 | N2 | C15 | 123.4° | 120.0° |
| N2 | C8 | H9 | 109.0° | 109.6° |
| C8 | N2 | H25 | 118.3° | 120.1° |
| C1 | O1 | P1 | 123.5° | 123.0° |
| O1 | C1 | H1 | 110.2° | 109.5° |
| N2 | C15 | O11 | 122.2° | 120.0° |
| N2 | C15 | C16 | 115.6° | 120.0° |
| C15 | N2 | H25 | 118.3° | 119.9° |
| O1 | P1 | O4 | 103.0° | 109.5° |
| O1 | P1 | O2 | 107.8° | 109.5° |
| O1 | P1 | O3 | 106.6° | 109.5° |
| O15 | C20 | C21 | 125.3° | 120.0° |
| O15 | C20 | O13 | 122.5° | 120.0° |
| O11 | C15 | C16 | 122.1° | 120.0° |
| C15 | C16 | C28 | 112.6° | 109.5° |
| C15 | C16 | H27 | 108.7° | 109.5° |
| C15 | C16 | H28 | 108.7° | 109.5° |
| C21 | C20 | O13 | 112.2° | 120.0° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | O13 | C19 | 117.7° | 117.0° |
| P1 | O4 | C17 | 122.3° | 123.0° |
| O4 | P1 | O2 | 114.1° | 109.5° |
| O4 | P1 | O3 | 106.1° | 109.4° |
| O4 | C17 | C18 | 108.1° | 109.5° |
| O4 | C17 | H29 | 109.8° | 109.5° |
| O4 | C17 | H30 | 109.8° | 109.4° |
| O2 | P1 | O3 | 118.0° | 109.5° |
| P1 | O3 | H73 | 109.5° | 114.0° |
| C17 | C18 | C19 | 113.9° | 109.5° |
| C17 | C18 | O12 | 108.2° | 109.5° |
| C18 | C17 | H29 | 109.8° | 109.5° |
| C18 | C17 | H30 | 109.8° | 109.4° |
| C17 | C18 | H31 | 108.6° | 109.5° |
| C16 | C28 | C29 | 113.5° | 109.5° |
| C28 | C16 | H27 | 108.7° | 109.4° |
| C28 | C16 | H28 | 108.7° | 109.5° |
| C16 | C28 | H38 | 108.5° | 109.5° |
| C16 | C28 | H39 | 108.5° | 109.5° |
| O13 | C19 | C18 | 108.0° | 109.5° |
| O13 | C19 | H33 | 109.8° | 109.5° |
| O13 | C19 | H32 | 109.8° | 109.4° |
| C19 | C18 | O12 | 108.3° | 109.5° |
| C19 | C18 | H31 | 108.5° | 109.5° |
| C18 | C19 | H33 | 109.8° | 109.5° |
| C18 | C19 | H32 | 109.8° | 109.5° |
| C18 | O12 | C25 | 118.7° | 117.0° |
| O12 | C18 | H31 | 109.3° | 109.5° |
| C28 | C29 | C30 | 115.0° | 109.5° |
| C29 | C28 | H38 | 108.5° | 109.5° |
| C29 | C28 | H39 | 108.4° | 109.5° |
| C28 | C29 | H40 | 108.1° | 109.5° |
| C28 | C29 | H41 | 108.1° | 109.5° |
| O12 | C25 | C26 | 111.7° | 120.0° |
| O12 | C25 | O14 | 123.4° | 120.0° |
| C29 | C30 | C31 | 113.3° | 109.5° |
| C30 | C29 | H40 | 108.1° | 109.4° |
| C30 | C29 | H41 | 108.1° | 109.5° |
| C29 | C30 | H44 | 108.5° | 109.4° |
| C29 | C30 | H45 | 108.5° | 109.5° |
| C26 | C25 | O14 | 124.8° | 120.0° |
| C25 | C26 | H37 | 109.5° | 109.5° |
| C25 | C26 | H42 | 109.5° | 109.5° |
| C25 | C26 | H43 | 109.4° | 109.4° |
| C30 | C31 | C32 | 114.5° | 109.5° |
| C31 | C30 | H44 | 108.5° | 109.5° |
| C31 | C30 | H45 | 108.5° | 109.5° |
| C30 | C31 | H46 | 108.2° | 109.5° |
| C30 | C31 | H47 | 108.2° | 109.5° |
| C31 | C32 | C33 | 115.2° | 109.5° |
| C32 | C31 | H46 | 108.2° | 109.4° |
| C32 | C31 | H47 | 108.2° | 109.5° |
| C31 | C32 | H48 | 108.1° | 109.4° |
| C31 | C32 | H49 | 108.0° | 109.5° |
| C32 | C33 | C34 | 114.0° | 109.5° |
| C33 | C32 | H48 | 108.0° | 109.5° |
| C33 | C32 | H49 | 108.0° | 109.5° |
| C32 | C33 | H50 | 108.3° | 109.5° |
| C32 | C33 | H51 | 108.3° | 109.5° |
| C33 | C34 | C35 | 114.0° | 109.5° |
| C34 | C33 | H50 | 108.3° | 109.5° |
| C34 | C33 | H51 | 108.3° | 109.4° |
| C33 | C34 | H52 | 108.3° | 109.5° |
| C33 | C34 | H53 | 108.3° | 109.4° |
| C34 | C35 | C36 | 114.7° | 109.5° |
| C35 | C34 | H52 | 108.3° | 109.5° |
| C35 | C34 | H53 | 108.3° | 109.4° |
| C34 | C35 | H54 | 108.1° | 109.5° |
| C34 | C35 | H55 | 108.1° | 109.4° |
| C35 | C36 | C37 | 113.5° | 109.4° |
| C36 | C35 | H54 | 108.1° | 109.5° |
| C36 | C35 | H55 | 108.2° | 109.4° |
| C35 | C36 | H56 | 108.4° | 109.5° |
| C35 | C36 | H57 | 108.5° | 109.4° |
| C36 | C37 | C50 | 114.7° | 109.5° |
| C37 | C36 | H56 | 108.5° | 109.5° |
| C37 | C36 | H57 | 108.5° | 109.4° |
| C36 | C37 | H58 | 108.1° | 109.5° |
| C36 | C37 | H59 | 108.2° | 109.4° |
| C37 | C50 | C51 | 114.6° | 109.5° |
| C50 | C37 | H58 | 108.1° | 109.5° |
| C50 | C37 | H59 | 108.1° | 109.4° |
| C37 | C50 | H60 | 108.2° | 109.5° |
| C37 | C50 | H61 | 108.2° | 109.5° |
| C50 | C51 | C52 | 114.2° | 109.5° |
| C51 | C50 | H60 | 108.2° | 109.5° |
| C51 | C50 | H61 | 108.2° | 109.5° |
| C50 | C51 | H62 | 108.2° | 109.5° |
| C50 | C51 | H63 | 108.3° | 109.5° |
| C51 | C52 | C53 | 114.8° | 109.5° |
| C52 | C51 | H62 | 108.3° | 109.4° |
| C52 | C51 | H63 | 108.3° | 109.5° |
| C51 | C52 | H64 | 108.1° | 109.5° |
| C51 | C52 | H65 | 108.1° | 109.5° |
| C52 | C53 | C54 | 114.0° | 109.5° |
| C53 | C52 | H64 | 108.1° | 109.4° |
| C53 | C52 | H65 | 108.1° | 109.5° |
| C52 | C53 | H66 | 108.3° | 109.4° |
| C52 | C53 | H67 | 108.3° | 109.5° |
| C53 | C54 | C55 | 113.8° | 109.5° |
| C54 | C53 | H66 | 108.3° | 109.5° |
| C54 | C53 | H67 | 108.3° | 109.5° |
| C53 | C54 | H68 | 108.4° | 109.5° |
| C53 | C54 | H69 | 108.3° | 109.5° |
| C55 | C54 | H68 | 108.4° | 109.4° |
| C55 | C54 | H69 | 108.4° | 109.5° |
| C54 | C55 | H72 | 109.5° | 109.5° |
| C54 | C55 | H70 | 109.5° | 109.5° |
| C54 | C55 | H71 | 109.5° | 109.5° |
| H13 | C10 | H12 | 109.5° | 109.5° |
| H15 | C11 | H14 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H19 | C13 | H36 | 109.4° | 109.5° |
| H19 | C13 | H18 | 109.5° | 109.5° |
| H36 | C13 | H18 | 109.5° | 109.5° |
| H21 | C14 | H20 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H33 | C19 | H32 | 109.5° | 109.4° |
| H3 | C2 | H2 | 109.5° | 109.5° |
| H35 | C21 | H26 | 109.5° | 109.5° |
| H35 | C21 | H34 | 109.5° | 109.4° |
| H26 | C21 | H34 | 109.5° | 109.5° |
| H37 | C26 | H42 | 109.4° | 109.5° |
| H37 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.5° |
| H11 | C9 | H10 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H40 | C29 | H41 | 109.4° | 109.5° |
| H44 | C30 | H45 | 109.5° | 109.5° |
| H46 | C31 | H47 | 109.5° | 109.4° |
| H48 | C32 | H49 | 109.4° | 109.5° |
| H50 | C33 | H51 | 109.5° | 109.4° |
| H52 | C34 | H53 | 109.5° | 109.5° |
| H54 | C35 | H55 | 109.5° | 109.5° |
| H56 | C36 | H57 | 109.5° | 109.5° |
| H58 | C37 | H59 | 109.5° | 109.5° |
| H60 | C50 | H61 | 109.5° | 109.4° |
| H62 | C51 | H63 | 109.5° | 109.5° |
| H64 | C52 | H65 | 109.5° | 109.5° |
| H66 | C53 | H67 | 109.5° | 109.4° |
| H68 | C54 | H69 | 109.5° | 109.5° |
| H72 | C55 | H70 | 109.5° | 109.5° |
| H72 | C55 | H71 | 109.5° | 109.5° |
| H70 | C55 | H71 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C14 | C5 | H21 | 120.2° | 119.9° |
| O8 | C14 | C5 | H20 | 120.2° | 120.0° |
| O8 | C14 | C5 | C6 | 173.8° | 175.0° |
| O8 | C14 | C5 | O6 | 48.1° | 65.0° |
| O8 | C14 | H21 | H20 | 119.3° | 120.0° |
| O8 | C14 | C5 | H6 | 67.5° | 55.0° |
| C14 | C5 | C6 | O6 | 123.3° | 120.0° |
| C14 | C5 | C6 | H6 | 118.8° | 119.9° |
| C14 | C5 | O6 | H6 | 114.9° | 120.0° |
| C14 | C5 | C6 | O9 | 13.2° | 57.8° |
| C14 | C5 | C6 | C7 | 135.2° | 177.6° |
| C14 | C5 | O6 | C4 | 80.0° | 178.9° |
| C5 | C14 | H21 | H20 | 119.3° | 120.1° |
| C14 | C5 | C6 | H7 | 107.3° | 62.4° |
| C5 | C14 | O8 | H22 | 180.0° | 180.0° |
| C12 | C11 | C10 | H15 | 120.8° | 120.0° |
| C12 | C11 | C10 | H14 | 120.8° | 120.0° |
| C11 | C12 | C13 | H16 | 121.0° | 120.0° |
| C11 | C12 | C13 | H17 | 121.0° | 120.1° |
| C12 | C11 | C10 | C9 | 131.3° | 180.0° |
| C12 | C11 | C10 | H13 | 10.7° | 60.0° |
| C12 | C11 | C10 | H12 | 107.9° | 60.0° |
| C12 | C11 | H15 | H14 | 117.4° | 120.0° |
| C11 | C12 | H16 | H17 | 116.8° | 120.0° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C11 | C12 | C13 | H36 | 60.0° | 60.0° |
| C11 | C12 | C13 | H18 | 60.0° | 60.0° |
| C10 | C11 | C12 | C13 | 68.1° | 180.0° |
| C11 | C10 | C9 | H13 | 120.7° | 120.0° |
| C11 | C10 | C9 | H12 | 120.7° | 120.0° |
| C11 | C10 | C9 | N1 | 71.2° | 180.0° |
| C11 | C10 | H13 | H12 | 117.8° | 120.0° |
| C10 | C11 | H15 | H14 | 117.4° | 120.0° |
| C10 | C11 | C12 | H16 | 170.9° | 60.0° |
| C10 | C11 | C12 | H17 | 53.0° | 60.0° |
| C11 | C10 | C9 | H11 | 168.2° | 60.0° |
| C11 | C10 | C9 | H10 | 49.3° | 60.0° |
| C13 | C12 | C11 | H15 | 171.1° | 60.0° |
| C13 | C12 | C11 | H14 | 52.8° | 60.0° |
| C13 | C12 | H16 | H17 | 116.9° | 120.0° |
| C12 | C13 | H19 | H36 | 120.0° | 120.0° |
| C12 | C13 | H19 | H18 | 120.0° | 120.0° |
| C12 | C13 | H36 | H18 | 120.0° | 119.9° |
| C6 | C5 | O6 | H6 | 117.3° | 120.0° |
| C5 | C6 | O9 | C7 | 123.0° | 119.6° |
| C5 | C6 | O9 | H7 | 119.8° | 120.2° |
| C5 | C6 | C7 | H7 | 117.5° | 120.0° |
| C6 | C5 | O6 | C4 | 47.9° | 61.1° |
| C5 | C6 | C7 | O10 | 176.1° | 176.8° |
| C5 | C6 | C7 | C8 | 56.4° | 57.0° |
| C6 | C5 | C14 | H21 | 66.0° | 65.1° |
| C6 | C5 | C14 | H20 | 53.5° | 55.0° |
| C5 | C6 | C7 | H8 | 63.3° | 63.0° |
| C5 | C6 | O9 | H23 | 180.0° | 60.1° |
| O6 | C5 | C6 | O9 | 110.0° | 62.3° |
| O6 | C5 | C6 | C7 | 12.0° | 57.6° |
| C5 | O6 | C4 | O5 | 179.8° | 58.9° |
| C5 | O6 | C4 | C8 | 62.2° | 61.1° |
| O6 | C5 | C14 | H21 | 168.3° | 54.9° |
| O6 | C5 | C14 | H20 | 72.2° | 174.9° |
| C5 | O6 | C4 | H5 | 58.7° | 178.8° |
| O6 | C5 | C6 | H7 | 129.4° | 177.6° |
| C10 | C9 | N1 | H11 | 120.6° | 120.0° |
| C10 | C9 | N1 | H10 | 120.5° | 120.0° |
| C10 | C9 | N1 | C3 | 126.6° | 180.0° |
| C9 | C10 | H13 | H12 | 117.8° | 120.0° |
| C9 | C10 | C11 | H15 | 107.8° | 60.0° |
| C9 | C10 | C11 | H14 | 10.5° | 60.0° |
| C10 | C9 | H11 | H10 | 118.3° | 120.0° |
| C10 | C9 | N1 | H4 | 53.3° | 0.0° |
| O9 | C6 | C7 | H7 | 118.0° | 120.2° |
| O9 | C6 | C7 | O10 | 51.6° | 57.0° |
| O9 | C6 | C7 | C8 | 68.2° | 62.9° |
| O9 | C6 | C5 | H6 | 132.1° | 177.7° |
| O9 | C6 | C7 | H8 | 172.2° | 177.2° |
| C6 | C7 | O10 | C8 | 122.3° | 119.6° |
| C6 | C7 | O10 | H8 | 119.7° | 120.2° |
| C6 | C7 | C8 | H8 | 119.6° | 120.0° |
| C6 | C7 | C8 | C4 | 42.9° | 57.0° |
| C6 | C7 | C8 | N2 | 164.5° | 176.9° |
| C7 | C6 | C5 | H6 | 105.9° | 62.4° |
| C6 | C7 | C8 | H9 | 75.4° | 62.9° |
| C6 | C7 | O10 | H24 | 180.0° | 60.0° |
| C7 | C6 | O9 | H23 | 57.0° | 179.7° |
| O6 | C4 | C8 | C7 | 13.6° | 57.6° |
| O6 | C4 | O5 | C8 | 120.2° | 120.0° |
| O6 | C4 | O5 | H5 | 121.1° | 120.0° |
| O6 | C4 | C8 | H5 | 121.8° | 120.0° |
| O6 | C4 | O5 | C2 | 64.6° | 70.4° |
| O6 | C4 | C8 | N2 | 110.2° | 177.5° |
| C4 | O6 | C5 | H6 | 165.1° | 58.9° |
| O6 | C4 | C8 | H9 | 131.9° | 62.3° |
| C9 | N1 | C3 | H4 | 180.0° | 179.9° |
| C9 | N1 | C3 | O7 | 49.7° | 0.0° |
| C9 | N1 | C3 | C1 | 130.5° | 180.0° |
| N1 | C9 | C10 | H13 | 49.5° | 60.0° |
| N1 | C9 | C10 | H12 | 168.1° | 60.0° |
| N1 | C9 | H11 | H10 | 118.3° | 120.0° |
| O10 | C7 | C8 | H8 | 118.9° | 120.1° |
| O10 | C7 | C8 | C4 | 164.3° | 176.9° |
| O10 | C7 | C8 | N2 | 74.0° | 63.2° |
| O10 | C7 | C6 | H7 | 66.4° | 63.2° |
| O10 | C7 | C8 | H9 | 46.0° | 57.1° |
| C7 | C8 | C4 | O5 | 132.0° | 62.4° |
| C7 | C8 | C4 | N2 | 123.8° | 119.9° |
| C7 | C8 | C4 | H9 | 118.3° | 119.9° |
| C7 | C8 | N2 | H9 | 119.4° | 120.2° |
| C7 | C8 | N2 | C15 | 129.9° | 158.1° |
| C7 | C8 | C4 | H5 | 108.2° | 177.6° |
| C8 | C7 | C6 | H7 | 173.8° | 176.9° |
| C7 | C8 | N2 | H25 | 50.1° | 21.8° |
| C8 | C7 | O10 | H24 | 57.7° | 179.6° |
| O5 | C4 | C8 | H5 | 119.9° | 120.0° |
| C4 | O5 | C2 | C1 | 163.0° | 174.8° |
| O5 | C4 | C8 | N2 | 8.1° | 57.5° |
| C4 | O5 | C2 | H3 | 43.1° | 65.2° |
| C4 | O5 | C2 | H2 | 77.1° | 54.8° |
| O5 | C4 | C8 | H9 | 109.8° | 177.7° |
| C8 | C4 | O5 | C2 | 175.2° | 169.6° |
| C4 | C8 | N2 | H9 | 117.2° | 120.1° |
| C4 | C8 | N2 | C15 | 106.7° | 82.2° |
| C4 | C8 | C7 | H8 | 76.8° | 63.0° |
| C4 | C8 | N2 | H25 | 73.2° | 97.8° |
| N1 | C3 | C1 | C2 | 84.7° | 60.0° |
| N1 | C3 | O7 | C1 | 179.8° | 179.9° |
| N1 | C3 | C1 | O1 | 156.2° | 180.0° |
| N1 | C3 | C1 | H1 | 34.9° | 60.0° |
| C3 | N1 | C9 | H11 | 112.8° | 60.0° |
| C3 | N1 | C9 | H10 | 6.1° | 60.0° |
| O5 | C2 | C1 | H3 | 119.9° | 120.0° |
| O5 | C2 | C1 | H2 | 119.9° | 119.9° |
| O5 | C2 | C1 | C3 | 146.7° | 175.0° |
| O5 | C2 | C1 | O1 | 25.9° | 65.0° |
| O5 | C2 | C1 | H1 | 93.7° | 54.9° |
| O5 | C2 | H3 | H2 | 120.3° | 120.0° |
| C2 | O5 | C4 | H5 | 56.5° | 49.6° |
| C2 | C1 | C3 | O7 | 95.5° | 120.0° |
| C2 | C1 | C3 | O1 | 119.1° | 120.0° |
| C2 | C1 | C3 | H1 | 119.6° | 120.0° |
| C2 | C1 | O1 | H1 | 118.9° | 120.0° |
| C2 | C1 | O1 | P1 | 156.0° | 115.9° |
| C1 | C2 | H3 | H2 | 120.3° | 120.0° |
| O7 | C3 | C1 | O1 | 23.6° | 0.1° |
| O7 | C3 | C1 | H1 | 144.9° | 120.0° |
| O7 | C3 | N1 | H4 | 130.3° | 180.0° |
| C3 | C1 | O1 | H1 | 120.6° | 120.0° |
| C3 | C1 | O1 | P1 | 83.5° | 124.1° |
| C3 | C1 | C2 | H3 | 93.4° | 65.0° |
| C3 | C1 | C2 | H2 | 26.8° | 55.0° |
| C1 | C3 | N1 | H4 | 49.5° | 0.1° |
| C8 | N2 | C15 | H25 | 180.0° | 180.0° |
| C8 | N2 | C15 | O11 | 45.9° | 5.3° |
| C8 | N2 | C15 | C16 | 135.3° | 174.7° |
| N2 | C8 | C4 | H5 | 128.0° | 62.5° |
| N2 | C8 | C7 | H8 | 44.9° | 56.9° |
| C1 | O1 | P1 | O4 | 30.0° | 174.5° |
| C1 | O1 | P1 | O2 | 150.9° | 54.4° |
| C1 | O1 | P1 | O3 | 81.4° | 65.6° |
| O1 | C1 | C2 | H3 | 145.8° | 55.0° |
| O1 | C1 | C2 | H2 | 94.0° | 175.0° |
| N2 | C15 | O11 | C16 | 178.7° | 180.0° |
| N2 | C15 | C16 | C28 | 111.6° | 174.8° |
| N2 | C15 | C16 | H27 | 8.9° | 54.9° |
| N2 | C15 | C16 | H28 | 127.9° | 65.2° |
| C15 | N2 | C8 | H9 | 10.5° | 37.9° |
| O1 | P1 | O4 | O2 | 116.6° | 120.0° |
| O1 | P1 | O4 | O3 | 111.8° | 120.0° |
| O1 | P1 | O4 | C17 | 105.7° | 176.4° |
| O1 | P1 | O2 | O3 | 120.7° | 120.0° |
| P1 | O1 | C1 | H1 | 37.1° | 4.1° |
| O1 | P1 | O3 | H73 | 121.3° | 60.0° |
| O15 | C20 | C21 | O13 | 179.3° | 179.9° |
| O15 | C20 | O13 | C19 | 89.5° | 0.1° |
| O15 | C20 | C21 | H35 | 0.0° | 90.1° |
| O15 | C20 | C21 | H26 | 120.0° | 29.9° |
| O15 | C20 | C21 | H34 | 120.0° | 150.0° |
| O11 | C15 | C16 | C28 | 67.2° | 5.2° |
| O11 | C15 | C16 | H27 | 172.3° | 125.1° |
| O11 | C15 | C16 | H28 | 53.3° | 114.8° |
| O11 | C15 | N2 | H25 | 134.0° | 174.6° |
| C15 | C16 | C28 | H27 | 120.5° | 120.0° |
| C15 | C16 | C28 | H28 | 120.5° | 120.0° |
| C15 | C16 | C28 | C29 | 94.7° | 175.3° |
| C15 | C16 | H27 | H28 | 118.6° | 120.1° |
| C16 | C15 | N2 | H25 | 44.7° | 5.4° |
| C15 | C16 | C28 | H38 | 25.9° | 55.3° |
| C15 | C16 | C28 | H39 | 144.7° | 64.6° |
| C21 | C20 | O13 | C19 | 91.2° | 180.0° |
| C20 | C21 | H35 | H26 | 120.0° | 120.0° |
| C20 | C21 | H35 | H34 | 120.0° | 120.0° |
| C20 | C21 | H26 | H34 | 120.0° | 120.1° |
| C20 | O13 | C19 | C18 | 159.3° | 180.0° |
| C20 | O13 | C19 | H33 | 39.6° | 59.9° |
| C20 | O13 | C19 | H32 | 80.9° | 60.0° |
| O13 | C20 | C21 | H35 | 179.3° | 90.0° |
| O13 | C20 | C21 | H26 | 59.3° | 150.0° |
| O13 | C20 | C21 | H34 | 60.7° | 29.9° |
| O4 | P1 | O2 | O3 | 125.6° | 120.0° |
| P1 | O4 | C17 | C18 | 130.0° | 175.2° |
| P1 | O4 | C17 | H29 | 110.2° | 64.8° |
| P1 | O4 | C17 | H30 | 10.2° | 55.2° |
| O4 | P1 | O3 | H73 | 129.4° | 60.0° |
| C17 | O4 | P1 | O2 | 10.9° | 56.4° |
| C17 | O4 | P1 | O3 | 142.5° | 63.6° |
| O4 | C17 | C18 | H29 | 119.8° | 120.0° |
| O4 | C17 | C18 | H30 | 119.8° | 120.0° |
| O4 | C17 | C18 | C19 | 76.3° | 174.7° |
| O4 | C17 | C18 | O12 | 44.2° | 65.3° |
| O4 | C17 | H29 | H30 | 120.6° | 120.0° |
| O4 | C17 | C18 | H31 | 162.7° | 54.7° |
| O2 | P1 | O3 | H73 | 0.0° | 180.0° |
| C17 | C18 | C19 | O13 | 114.9° | 175.0° |
| C17 | C18 | C19 | O12 | 120.4° | 120.0° |
| C17 | C18 | C19 | H31 | 121.0° | 120.0° |
| C17 | C18 | O12 | H31 | 118.1° | 120.0° |
| C17 | C18 | O12 | C25 | 97.0° | 90.8° |
| C18 | C17 | H29 | H30 | 120.6° | 120.0° |
| C17 | C18 | C19 | H33 | 4.8° | 65.0° |
| C17 | C18 | C19 | H32 | 125.3° | 55.0° |
| C16 | C28 | C29 | H38 | 120.6° | 120.0° |
| C16 | C28 | C29 | H39 | 120.6° | 120.1° |
| C16 | C28 | C29 | C30 | 173.4° | 175.1° |
| C28 | C16 | H27 | H28 | 118.5° | 120.0° |
| C16 | C28 | H38 | H39 | 118.2° | 120.0° |
| C16 | C28 | C29 | H40 | 65.7° | 64.9° |
| C16 | C28 | C29 | H41 | 52.6° | 55.1° |
| O13 | C19 | C18 | H33 | 119.8° | 120.0° |
| O13 | C19 | C18 | H32 | 119.8° | 120.0° |
| O13 | C19 | C18 | O12 | 124.6° | 65.0° |
| O13 | C19 | C18 | H31 | 6.1° | 55.0° |
| O13 | C19 | H33 | H32 | 120.7° | 119.9° |
| C19 | C18 | O12 | H31 | 118.0° | 120.0° |
| C19 | C18 | O12 | C25 | 139.1° | 149.2° |
| C19 | C18 | C17 | H29 | 43.4° | 54.6° |
| C19 | C18 | C17 | H30 | 163.9° | 65.4° |
| C18 | C19 | H33 | H32 | 120.7° | 120.0° |
| C18 | O12 | C25 | C26 | 105.3° | 176.8° |
| C18 | O12 | C25 | O14 | 75.8° | 3.3° |
| O12 | C18 | C17 | H29 | 163.9° | 174.7° |
| O12 | C18 | C17 | H30 | 75.6° | 54.6° |
| O12 | C18 | C19 | H33 | 115.6° | 55.0° |
| O12 | C18 | C19 | H32 | 4.9° | 175.0° |
| C28 | C29 | C30 | H40 | 120.8° | 120.0° |
| C28 | C29 | C30 | H41 | 120.8° | 120.0° |
| C28 | C29 | C30 | C31 | 155.3° | 180.0° |
| C29 | C28 | C16 | H27 | 144.8° | 64.7° |
| C29 | C28 | C16 | H28 | 25.8° | 55.3° |
| C29 | C28 | H38 | H39 | 118.2° | 120.0° |
| C28 | C29 | H40 | H41 | 117.5° | 120.0° |
| C28 | C29 | C30 | H44 | 34.7° | 60.0° |
| C28 | C29 | C30 | H45 | 84.1° | 60.0° |
| O12 | C25 | C26 | O14 | 178.8° | 180.0° |
| C25 | O12 | C18 | H31 | 21.1° | 29.2° |
| O12 | C25 | C26 | H37 | 178.8° | 84.9° |
| O12 | C25 | C26 | H42 | 61.2° | 35.0° |
| O12 | C25 | C26 | H43 | 58.8° | 155.0° |
| C29 | C30 | C31 | H44 | 120.6° | 120.0° |
| C29 | C30 | C31 | H45 | 120.6° | 120.0° |
| C29 | C30 | C31 | C32 | 161.9° | 180.0° |
| C30 | C29 | C28 | H38 | 52.9° | 55.1° |
| C30 | C29 | C28 | H39 | 66.0° | 64.8° |
| C30 | C29 | H40 | H41 | 117.5° | 120.0° |
| C29 | C30 | H44 | H45 | 118.2° | 120.0° |
| C29 | C30 | C31 | H46 | 41.1° | 60.0° |
| C29 | C30 | C31 | H47 | 77.4° | 59.9° |
| C25 | C26 | H37 | H42 | 120.0° | 120.0° |
| C25 | C26 | H37 | H43 | 120.0° | 120.0° |
| C25 | C26 | H42 | H43 | 120.0° | 120.0° |
| O14 | C25 | C26 | H37 | 0.0° | 95.0° |
| O14 | C25 | C26 | H42 | 120.0° | 145.0° |
| O14 | C25 | C26 | H43 | 120.0° | 25.0° |
| C30 | C31 | C32 | H46 | 120.8° | 120.0° |
| C30 | C31 | C32 | H47 | 120.7° | 120.1° |
| C30 | C31 | C32 | C33 | 150.6° | 180.0° |
| C31 | C30 | C29 | H40 | 83.9° | 60.0° |
| C31 | C30 | C29 | H41 | 34.5° | 60.0° |
| C31 | C30 | H44 | H45 | 118.2° | 120.0° |
| C30 | C31 | H46 | H47 | 117.7° | 120.0° |
| C30 | C31 | C32 | H48 | 29.8° | 60.0° |
| C30 | C31 | C32 | H49 | 88.5° | 60.0° |
| C31 | C32 | C33 | H48 | 120.9° | 120.0° |
| C31 | C32 | C33 | H49 | 120.9° | 120.0° |
| C31 | C32 | C33 | C34 | 80.4° | 180.0° |
| C32 | C31 | C30 | H44 | 77.6° | 60.0° |
| C32 | C31 | C30 | H45 | 41.3° | 60.0° |
| C32 | C31 | H46 | H47 | 117.7° | 120.0° |
| C31 | C32 | H48 | H49 | 117.4° | 120.0° |
| C31 | C32 | C33 | H50 | 40.3° | 60.0° |
| C31 | C32 | C33 | H51 | 159.0° | 60.0° |
| C32 | C33 | C34 | H50 | 120.7° | 120.0° |
| C32 | C33 | C34 | H51 | 120.6° | 120.1° |
| C32 | C33 | C34 | C35 | 165.6° | 180.0° |
| C33 | C32 | C31 | H46 | 88.6° | 60.0° |
| C33 | C32 | C31 | H47 | 29.9° | 59.9° |
| C33 | C32 | H48 | H49 | 117.4° | 120.0° |
| C32 | C33 | H50 | H51 | 118.0° | 120.1° |
| C32 | C33 | C34 | H52 | 73.8° | 60.0° |
| C32 | C33 | C34 | H53 | 44.9° | 60.0° |
| C33 | C34 | C35 | H52 | 120.7° | 120.1° |
| C33 | C34 | C35 | H53 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 171.9° | 180.0° |
| C34 | C33 | C32 | H48 | 158.8° | 60.0° |
| C34 | C33 | C32 | H49 | 40.5° | 60.0° |
| C34 | C33 | H50 | H51 | 117.9° | 119.9° |
| C33 | C34 | H52 | H53 | 117.9° | 120.0° |
| C33 | C34 | C35 | H54 | 67.4° | 59.9° |
| C33 | C34 | C35 | H55 | 51.1° | 60.0° |
| C34 | C35 | C36 | H54 | 120.8° | 120.0° |
| C34 | C35 | C36 | H55 | 120.8° | 119.9° |
| C34 | C35 | C36 | C37 | 169.3° | 180.0° |
| C35 | C34 | C33 | H50 | 44.9° | 59.9° |
| C35 | C34 | C33 | H51 | 73.8° | 60.0° |
| C35 | C34 | H52 | H53 | 117.9° | 119.9° |
| C34 | C35 | H54 | H55 | 117.6° | 119.9° |
| C34 | C35 | C36 | H56 | 48.7° | 59.9° |
| C34 | C35 | C36 | H57 | 70.1° | 60.1° |
| C35 | C36 | C37 | H56 | 120.6° | 120.0° |
| C35 | C36 | C37 | H57 | 120.6° | 119.9° |
| C35 | C36 | C37 | C50 | 173.9° | 180.0° |
| C36 | C35 | C34 | H52 | 51.2° | 59.9° |
| C36 | C35 | C34 | H53 | 67.4° | 60.1° |
| C36 | C35 | H54 | H55 | 117.6° | 120.0° |
| C35 | C36 | H56 | H57 | 118.2° | 120.0° |
| C35 | C36 | C37 | H58 | 53.1° | 60.0° |
| C35 | C36 | C37 | H59 | 65.3° | 60.1° |
| C36 | C37 | C50 | H58 | 120.8° | 120.1° |
| C36 | C37 | C50 | H59 | 120.8° | 119.9° |
| C36 | C37 | C50 | C51 | 155.6° | 179.9° |
| C37 | C36 | C35 | H54 | 69.9° | 60.0° |
| C37 | C36 | C35 | H55 | 48.6° | 60.1° |
| C37 | C36 | H56 | H57 | 118.2° | 120.0° |
| C36 | C37 | H58 | H59 | 117.6° | 120.0° |
| C36 | C37 | C50 | H60 | 34.8° | 59.9° |
| C36 | C37 | C50 | H61 | 83.7° | 60.0° |
| C37 | C50 | C51 | H60 | 120.8° | 120.0° |
| C37 | C50 | C51 | H61 | 120.7° | 120.0° |
| C37 | C50 | C51 | C52 | 86.7° | 180.0° |
| C50 | C37 | C36 | H56 | 65.5° | 60.0° |
| C50 | C37 | C36 | H57 | 53.3° | 60.1° |
| C50 | C37 | H58 | H59 | 117.6° | 120.0° |
| C37 | C50 | H60 | H61 | 117.7° | 120.0° |
| C37 | C50 | C51 | H62 | 152.5° | 60.0° |
| C37 | C50 | C51 | H63 | 33.9° | 60.0° |
| C50 | C51 | C52 | H62 | 120.7° | 120.0° |
| C50 | C51 | C52 | H63 | 120.7° | 120.0° |
| C50 | C51 | C52 | C53 | 84.1° | 180.0° |
| C51 | C50 | C37 | H58 | 83.7° | 60.0° |
| C51 | C50 | C37 | H59 | 34.8° | 60.0° |
| C51 | C50 | H60 | H61 | 117.6° | 120.0° |
| C50 | C51 | H62 | H63 | 117.8° | 120.0° |
| C50 | C51 | C52 | H64 | 155.1° | 60.0° |
| C50 | C51 | C52 | H65 | 36.7° | 60.0° |
| C51 | C52 | C53 | H64 | 120.8° | 120.0° |
| C51 | C52 | C53 | H65 | 120.8° | 120.0° |
| C51 | C52 | C53 | C54 | 153.3° | 180.0° |
| C52 | C51 | C50 | H60 | 34.0° | 60.0° |
| C52 | C51 | C50 | H61 | 152.5° | 59.9° |
| C52 | C51 | H62 | H63 | 117.9° | 120.0° |
| C51 | C52 | H64 | H65 | 117.6° | 120.0° |
| C51 | C52 | C53 | H66 | 32.7° | 60.0° |
| C51 | C52 | C53 | H67 | 86.0° | 59.9° |
| C52 | C53 | C54 | H66 | 120.7° | 119.9° |
| C52 | C53 | C54 | H67 | 120.7° | 120.1° |
| C52 | C53 | C54 | C55 | 166.2° | 180.0° |
| C53 | C52 | C51 | H62 | 36.5° | 60.0° |
| C53 | C52 | C51 | H63 | 155.2° | 60.0° |
| C53 | C52 | H64 | H65 | 117.6° | 120.0° |
| C52 | C53 | H66 | H67 | 117.9° | 120.0° |
| C52 | C53 | C54 | H68 | 45.6° | 60.1° |
| C52 | C53 | C54 | H69 | 73.2° | 60.0° |
| C53 | C54 | C55 | H68 | 120.7° | 120.0° |
| C53 | C54 | C55 | H69 | 120.6° | 120.0° |
| C54 | C53 | C52 | H64 | 85.9° | 60.0° |
| C54 | C53 | C52 | H65 | 32.5° | 60.0° |
| C54 | C53 | H66 | H67 | 117.9° | 120.0° |
| C53 | C54 | H68 | H69 | 118.0° | 120.1° |
| C53 | C54 | C55 | H72 | 180.0° | 60.0° |
| C53 | C54 | C55 | H70 | 60.0° | 179.9° |
| C53 | C54 | C55 | H71 | 60.0° | 60.0° |
| C55 | C54 | C53 | H66 | 73.1° | 60.0° |
| C55 | C54 | C53 | H67 | 45.5° | 60.0° |
| C55 | C54 | H68 | H69 | 118.0° | 120.0° |
| C54 | C55 | H72 | H70 | 120.0° | 120.0° |
| C54 | C55 | H72 | H71 | 120.0° | 120.0° |
| C54 | C55 | H70 | H71 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 26.2° | 175.0° |
| H1 | C1 | C2 | H2 | 146.4° | 65.0° |
| H13 | C10 | C11 | H15 | 131.5° | 60.0° |
| H13 | C10 | C11 | H14 | 110.2° | 179.9° |
| H13 | C10 | C9 | H11 | 71.1° | 180.0° |
| H13 | C10 | C9 | H10 | 170.0° | 60.0° |
| H12 | C10 | C11 | H15 | 12.9° | 180.0° |
| H12 | C10 | C11 | H14 | 131.2° | 59.9° |
| H12 | C10 | C9 | H11 | 47.5° | 60.0° |
| H12 | C10 | C9 | H10 | 71.4° | 180.0° |
| H15 | C11 | C12 | H16 | 50.1° | 180.0° |
| H15 | C11 | C12 | H17 | 67.9° | 60.1° |
| H14 | C11 | C12 | H16 | 68.2° | 60.0° |
| H14 | C11 | C12 | H17 | 173.8° | 179.9° |
| H16 | C12 | C13 | H19 | 59.0° | 60.0° |
| H16 | C12 | C13 | H36 | 179.0° | 180.0° |
| H16 | C12 | C13 | H18 | 61.0° | 60.1° |
| H17 | C12 | C13 | H19 | 59.0° | 60.0° |
| H17 | C12 | C13 | H36 | 61.0° | 60.1° |
| H17 | C12 | C13 | H18 | 179.0° | 180.0° |
| H19 | C13 | H36 | H18 | 120.0° | 120.0° |
| H21 | C14 | C5 | H6 | 52.8° | 174.9° |
| H21 | C14 | O8 | H22 | 59.8° | 60.0° |
| H20 | C14 | C5 | H6 | 172.3° | 65.0° |
| H20 | C14 | O8 | H22 | 59.8° | 60.0° |
| H27 | C16 | C28 | H38 | 94.6° | 175.3° |
| H27 | C16 | C28 | H39 | 24.3° | 55.4° |
| H28 | C16 | C28 | H38 | 146.4° | 64.7° |
| H28 | C16 | C28 | H39 | 94.8° | 175.4° |
| H29 | C17 | C18 | H31 | 77.5° | 65.4° |
| H30 | C17 | C18 | H31 | 42.9° | 174.6° |
| H31 | C18 | C19 | H33 | 125.9° | 175.0° |
| H31 | C18 | C19 | H32 | 113.7° | 65.0° |
| H35 | C21 | H26 | H34 | 120.0° | 119.9° |
| H37 | C26 | H42 | H43 | 120.0° | 120.1° |
| H5 | C4 | C8 | H9 | 10.1° | 57.7° |
| H6 | C5 | C6 | H7 | 11.5° | 57.5° |
| H7 | C6 | C7 | H8 | 54.2° | 57.0° |
| H7 | C6 | O9 | H23 | 60.2° | 60.1° |
| H8 | C7 | C8 | H9 | 165.0° | 177.2° |
| H8 | C7 | O10 | H24 | 60.3° | 60.2° |
| H9 | C8 | N2 | H25 | 169.6° | 142.0° |
| H11 | C9 | N1 | H4 | 67.2° | 120.0° |
| H10 | C9 | N1 | H4 | 173.9° | 119.9° |
| H38 | C28 | C29 | H40 | 173.7° | 175.1° |
| H38 | C28 | C29 | H41 | 67.9° | 64.9° |
| H39 | C28 | C29 | H40 | 54.9° | 55.2° |
| H39 | C28 | C29 | H41 | 173.2° | 175.2° |
| H40 | C29 | C30 | H44 | 155.6° | 180.0° |
| H40 | C29 | C30 | H45 | 36.7° | 60.0° |
| H41 | C29 | C30 | H44 | 86.1° | 60.0° |
| H41 | C29 | C30 | H45 | 155.1° | 180.0° |
| H44 | C30 | C31 | H46 | 161.7° | 180.0° |
| H44 | C30 | C31 | H47 | 43.2° | 60.0° |
| H45 | C30 | C31 | H46 | 79.4° | 60.0° |
| H45 | C30 | C31 | H47 | 162.1° | 180.0° |
| H46 | C31 | C32 | H48 | 150.5° | 180.0° |
| H46 | C31 | C32 | H49 | 32.2° | 60.0° |
| H47 | C31 | C32 | H48 | 91.0° | 60.0° |
| H47 | C31 | C32 | H49 | 150.7° | 179.9° |
| H48 | C32 | C33 | H50 | 80.6° | 180.0° |
| H48 | C32 | C33 | H51 | 38.1° | 60.0° |
| H49 | C32 | C33 | H50 | 161.1° | 60.0° |
| H49 | C32 | C33 | H51 | 80.2° | 180.0° |
| H50 | C33 | C34 | H52 | 165.6° | 179.9° |
| H50 | C33 | C34 | H53 | 75.8° | 60.0° |
| H51 | C33 | C34 | H52 | 46.9° | 60.0° |
| H51 | C33 | C34 | H53 | 165.5° | 179.9° |
| H52 | C34 | C35 | H54 | 171.9° | NaN° |
| H52 | C34 | C35 | H55 | 69.6° | 60.0° |
| H53 | C34 | C35 | H54 | 53.3° | 60.0° |
| H53 | C34 | C35 | H55 | 171.8° | NaN° |
| H54 | C35 | C36 | H56 | 169.5° | 180.0° |
| H54 | C35 | C36 | H57 | 50.7° | 59.9° |
| H55 | C35 | C36 | H56 | 72.0° | 60.0° |
| H55 | C35 | C36 | H57 | 169.2° | 180.0° |
| H56 | C36 | C37 | H58 | 173.7° | 180.0° |
| H56 | C36 | C37 | H59 | 55.3° | 60.0° |
| H57 | C36 | C37 | H58 | 67.4° | 60.0° |
| H57 | C36 | C37 | H59 | 174.1° | 180.0° |
| H58 | C37 | C50 | H60 | 155.6° | 180.0° |
| H58 | C37 | C50 | H61 | 37.1° | 60.0° |
| H59 | C37 | C50 | H60 | 86.0° | 60.0° |
| H59 | C37 | C50 | H61 | 155.5° | 179.9° |
| H60 | C50 | C51 | H62 | 86.7° | 180.0° |
| H60 | C50 | C51 | H63 | 154.7° | 60.0° |
| H61 | C50 | C51 | H62 | 31.8° | 60.0° |
| H61 | C50 | C51 | H63 | 86.8° | 180.0° |
| H62 | C51 | C52 | H64 | 84.2° | 180.0° |
| H62 | C51 | C52 | H65 | 157.4° | 60.0° |
| H63 | C51 | C52 | H64 | 34.4° | 60.0° |
| H63 | C51 | C52 | H65 | 84.0° | 180.0° |
| H64 | C52 | C53 | H66 | 153.4° | 180.0° |
| H64 | C52 | C53 | H67 | 34.8° | 60.1° |
| H65 | C52 | C53 | H66 | 88.1° | 60.0° |
| H65 | C52 | C53 | H67 | 153.2° | 180.0° |
| H66 | C53 | C54 | H68 | 166.2° | 180.0° |
| H66 | C53 | C54 | H69 | 47.5° | 60.0° |
| H67 | C53 | C54 | H68 | 75.1° | 60.0° |
| H67 | C53 | C54 | H69 | 166.2° | 179.9° |
| H68 | C54 | C55 | H72 | 59.3° | 60.0° |
| H68 | C54 | C55 | H70 | 179.4° | 60.0° |
| H68 | C54 | C55 | H71 | 60.7° | 180.0° |
| H69 | C54 | C55 | H72 | 59.4° | 180.0° |
| H69 | C54 | C55 | H70 | 60.6° | 60.0° |
| H69 | C54 | C55 | H71 | 179.4° | 60.0° |
| H72 | C55 | H70 | H71 | 120.0° | 120.0° |
