D2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C12 | sing | 1.53Å | 1.51Å | |
| C8 | C5 | sing | 1.53Å | 1.53Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | N1 | sing | 1.47Å | 1.50Å | |
| C11 | O3 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| O3 | S1 | sing | 1.52Å | 1.53Å | |
| C3 | C9 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | S1 | sing | 1.81Å | 1.68Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| C24 | H48 | sing | 1.09Å | 1.10Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C25 | C16 | 112.8° | 109.4° |
| C32 | C25 | H23 | 108.6° | 109.4° |
| C32 | C25 | H24 | 108.6° | 109.5° |
| C25 | C32 | H49 | 109.5° | 109.4° |
| C25 | C32 | H50 | 109.5° | 109.4° |
| C25 | C32 | H51 | 109.5° | 109.5° |
| C25 | C16 | C17 | 116.7° | 109.5° |
| C25 | C16 | C15 | 105.6° | 109.5° |
| C25 | C16 | H7 | 107.8° | 109.5° |
| C16 | C25 | H23 | 108.6° | 109.5° |
| C16 | C25 | H24 | 108.6° | 109.5° |
| C17 | C16 | C15 | 110.9° | 109.5° |
| C17 | C16 | H7 | 107.7° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.4° |
| C16 | C17 | H9 | 109.5° | 109.4° |
| C16 | C17 | H10 | 109.5° | 109.4° |
| C16 | C15 | C12 | 114.0° | 109.5° |
| C16 | C15 | H5 | 108.3° | 109.5° |
| C16 | C15 | H6 | 108.3° | 109.5° |
| C15 | C16 | H7 | 107.9° | 109.5° |
| C15 | C12 | C11 | 107.4° | 109.5° |
| C12 | C15 | H5 | 108.3° | 109.5° |
| C12 | C15 | H6 | 108.3° | 109.5° |
| C15 | C12 | H40 | 110.0° | 109.5° |
| C15 | C12 | H41 | 110.0° | 109.5° |
| C8 | C5 | C4 | 99.7° | 109.5° |
| C8 | C5 | N1 | 113.5° | 109.5° |
| C8 | C5 | H28 | 109.5° | 109.4° |
| C5 | C8 | H32 | 109.5° | 109.4° |
| C5 | C8 | H33 | 109.5° | 109.5° |
| C5 | C8 | H34 | 109.5° | 109.5° |
| O1 | C7 | C6 | 117.2° | 120.0° |
| O1 | C7 | H31 | 121.4° | 120.0° |
| C12 | C11 | C13 | 111.7° | 109.5° |
| C12 | C11 | O3 | 112.8° | 109.5° |
| C12 | C11 | H39 | 104.9° | 109.5° |
| C11 | C12 | H40 | 110.0° | 109.4° |
| C11 | C12 | H41 | 110.0° | 109.4° |
| C14 | C13 | C11 | 110.3° | 109.5° |
| C13 | C14 | H2 | 109.5° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.5° |
| C13 | C14 | H4 | 109.5° | 109.5° |
| C14 | C13 | H42 | 109.3° | 109.5° |
| C14 | C13 | H43 | 109.2° | 109.5° |
| C7 | C6 | N1 | 116.0° | 109.4° |
| C7 | C6 | H29 | 107.8° | 109.4° |
| C7 | C6 | H30 | 107.8° | 109.5° |
| C6 | C7 | H31 | 121.4° | 120.0° |
| C13 | C11 | O3 | 115.8° | 109.5° |
| C13 | C11 | H39 | 104.8° | 109.5° |
| C11 | C13 | H42 | 109.2° | 109.5° |
| C11 | C13 | H43 | 109.3° | 109.4° |
| C4 | C5 | N1 | 114.4° | 109.5° |
| C5 | C4 | C3 | 117.3° | 109.3° |
| C5 | C4 | H26 | 107.5° | 109.5° |
| C5 | C4 | H27 | 107.5° | 109.6° |
| C4 | C5 | H28 | 109.4° | 109.4° |
| C5 | N1 | C6 | 115.2° | 111.0° |
| C5 | N1 | C1 | 110.3° | 111.2° |
| N1 | C5 | H28 | 109.9° | 109.5° |
| C11 | O3 | S1 | 126.2° | 114.0° |
| O3 | C11 | H39 | 105.7° | 109.4° |
| C4 | C3 | C9 | 111.1° | 109.5° |
| C4 | C3 | C2 | 109.3° | 109.2° |
| C4 | C3 | H25 | 108.6° | 109.6° |
| C3 | C4 | H26 | 107.5° | 109.5° |
| C3 | C4 | H27 | 107.5° | 109.5° |
| C6 | N1 | C1 | 105.7° | 111.0° |
| N1 | C6 | H29 | 107.8° | 109.4° |
| N1 | C6 | H30 | 107.8° | 109.5° |
| N1 | C1 | C2 | 105.7° | 109.5° |
| N1 | C1 | C18 | 111.3° | 109.5° |
| N1 | C1 | H1 | 108.9° | 109.5° |
| O2 | S1 | O3 | 109.8° | 104.3° |
| O2 | S1 | C10 | 106.9° | 110.5° |
| O2 | S1 | O4 | 109.3° | 121.0° |
| O3 | S1 | C10 | 113.4° | 104.5° |
| O3 | S1 | O4 | 108.6° | 104.3° |
| C9 | C3 | C2 | 110.7° | 109.5° |
| C3 | C9 | C10 | 113.1° | 109.5° |
| C9 | C3 | H25 | 108.5° | 109.5° |
| C3 | C9 | H35 | 108.5° | 109.5° |
| C3 | C9 | H36 | 108.5° | 109.5° |
| C3 | C2 | C1 | 104.6° | 109.3° |
| C3 | C2 | H14 | 110.7° | 109.5° |
| C3 | C2 | H15 | 110.6° | 109.6° |
| C2 | C3 | H25 | 108.7° | 109.5° |
| C9 | C10 | S1 | 116.1° | 109.5° |
| C10 | C9 | H35 | 108.6° | 109.5° |
| C10 | C9 | H36 | 108.6° | 109.4° |
| C9 | C10 | H37 | 107.8° | 109.4° |
| C9 | C10 | H38 | 107.8° | 109.5° |
| C10 | S1 | O4 | 108.9° | 110.5° |
| S1 | C10 | H37 | 107.8° | 109.5° |
| S1 | C10 | H38 | 107.8° | 109.5° |
| C2 | C1 | C18 | 114.2° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H14 | 110.7° | 109.5° |
| C1 | C2 | H15 | 110.7° | 109.5° |
| C1 | C18 | C19 | 121.6° | 109.5° |
| C18 | C1 | H1 | 108.2° | 109.4° |
| C1 | C18 | H11 | 106.4° | 109.5° |
| C1 | C18 | H12 | 106.4° | 109.5° |
| C18 | C19 | C20 | 111.4° | 109.5° |
| C18 | C19 | C23 | 115.5° | 109.5° |
| C19 | C18 | H11 | 106.4° | 109.4° |
| C19 | C18 | H12 | 106.4° | 109.5° |
| C18 | C19 | H13 | 106.8° | 109.4° |
| C20 | C19 | C23 | 108.6° | 109.5° |
| C19 | C20 | C21 | 116.1° | 109.5° |
| C20 | C19 | H13 | 107.1° | 109.5° |
| C19 | C20 | H16 | 107.8° | 109.5° |
| C19 | C20 | H17 | 107.8° | 109.5° |
| C19 | C23 | C24 | 111.1° | 109.5° |
| C23 | C19 | H13 | 107.0° | 109.4° |
| C19 | C23 | H44 | 109.1° | 109.5° |
| C19 | C23 | H45 | 109.1° | 109.5° |
| C20 | C21 | C22 | 110.5° | 109.5° |
| C21 | C20 | H16 | 107.8° | 109.5° |
| C21 | C20 | H17 | 107.8° | 109.5° |
| C20 | C21 | H18 | 109.2° | 109.5° |
| C20 | C21 | H19 | 109.2° | 109.5° |
| C24 | C23 | H44 | 109.0° | 109.4° |
| C24 | C23 | H45 | 109.1° | 109.5° |
| C23 | C24 | H46 | 109.5° | 109.5° |
| C23 | C24 | H47 | 109.5° | 109.4° |
| C23 | C24 | H48 | 109.5° | 109.5° |
| C22 | C21 | H18 | 109.2° | 109.4° |
| C22 | C21 | H19 | 109.2° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.5° |
| C21 | C22 | H21 | 109.4° | 109.4° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H4 | 109.5° | 109.4° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H8 | C17 | H10 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H22 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.5° |
| H29 | C6 | H30 | 109.5° | 109.5° |
| H32 | C8 | H33 | 109.5° | 109.5° |
| H32 | C8 | H34 | 109.5° | 109.4° |
| H33 | C8 | H34 | 109.4° | 109.5° |
| H35 | C9 | H36 | 109.5° | 109.5° |
| H37 | C10 | H38 | 109.5° | 109.5° |
| H40 | C12 | H41 | 109.5° | 109.5° |
| H42 | C13 | H43 | 109.5° | 109.5° |
| H44 | C23 | H45 | 109.5° | 109.4° |
| H46 | C24 | H47 | 109.5° | 109.5° |
| H46 | C24 | H48 | 109.4° | 109.5° |
| H47 | C24 | H48 | 109.5° | 109.4° |
| H49 | C32 | H50 | 109.4° | 109.5° |
| H49 | C32 | H51 | 109.5° | 109.5° |
| H50 | C32 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C25 | C16 | H23 | 120.5° | 119.9° |
| C32 | C25 | C16 | H24 | 120.5° | 120.0° |
| C32 | C25 | C16 | C17 | 86.0° | 65.0° |
| C32 | C25 | C16 | C15 | 150.3° | 175.0° |
| C32 | C25 | C16 | H7 | 35.2° | 55.0° |
| C32 | C25 | H23 | H24 | 118.5° | 120.0° |
| C25 | C32 | H49 | H50 | 120.0° | 119.9° |
| C25 | C32 | H49 | H51 | 120.0° | 120.0° |
| C25 | C32 | H50 | H51 | 120.0° | 120.0° |
| C25 | C16 | C17 | C15 | 120.9° | 120.0° |
| C25 | C16 | C17 | H7 | 121.3° | 120.0° |
| C25 | C16 | C15 | H7 | 115.0° | 120.0° |
| C25 | C16 | C15 | C12 | 163.1° | 175.0° |
| C25 | C16 | C15 | H5 | 76.2° | 65.0° |
| C25 | C16 | C15 | H6 | 42.5° | 55.0° |
| C25 | C16 | C17 | H8 | 180.0° | 60.0° |
| C25 | C16 | C17 | H9 | 60.0° | 180.0° |
| C25 | C16 | C17 | H10 | 60.0° | 60.0° |
| C16 | C25 | H23 | H24 | 118.5° | 120.1° |
| C16 | C25 | C32 | H49 | 180.0° | 180.0° |
| C16 | C25 | C32 | H50 | 60.0° | 60.0° |
| C16 | C25 | C32 | H51 | 60.0° | 60.0° |
| C17 | C16 | C15 | H7 | 117.7° | 120.0° |
| C17 | C16 | C15 | C12 | 69.6° | 65.0° |
| C17 | C16 | C15 | H5 | 51.1° | 55.0° |
| C17 | C16 | C15 | H6 | 169.8° | 175.0° |
| C16 | C17 | H8 | H9 | 120.0° | 120.0° |
| C16 | C17 | H8 | H10 | 120.0° | 120.0° |
| C16 | C17 | H9 | H10 | 120.0° | 120.0° |
| C17 | C16 | C25 | H23 | 34.5° | 175.0° |
| C17 | C16 | C25 | H24 | 153.5° | 55.0° |
| C16 | C15 | C12 | H5 | 120.7° | 120.0° |
| C16 | C15 | C12 | H6 | 120.6° | 120.0° |
| C16 | C15 | C12 | C11 | 177.1° | 175.3° |
| C16 | C15 | H5 | H6 | 117.9° | 120.0° |
| C15 | C16 | C17 | H8 | 59.1° | 60.0° |
| C15 | C16 | C17 | H9 | 179.1° | 60.0° |
| C15 | C16 | C17 | H10 | 60.9° | 180.0° |
| C15 | C16 | C25 | H23 | 89.2° | 55.1° |
| C15 | C16 | C25 | H24 | 29.9° | 65.0° |
| C16 | C15 | C12 | H40 | 57.4° | 64.7° |
| C16 | C15 | C12 | H41 | 63.2° | 55.4° |
| C15 | C12 | C11 | H40 | 119.7° | 120.0° |
| C15 | C12 | C11 | H41 | 119.7° | 120.0° |
| C15 | C12 | C11 | C13 | 75.2° | 176.1° |
| C15 | C12 | C11 | O3 | 152.3° | 63.9° |
| C12 | C15 | H5 | H6 | 117.9° | 120.0° |
| C12 | C15 | C16 | H7 | 48.1° | 55.0° |
| C15 | C12 | C11 | H39 | 37.8° | 56.0° |
| C15 | C12 | H40 | H41 | 121.0° | 120.0° |
| C8 | C5 | C4 | N1 | 121.5° | 120.0° |
| C8 | C5 | C4 | H28 | 114.8° | 119.9° |
| C8 | C5 | N1 | H28 | 122.9° | 120.0° |
| C8 | C5 | C4 | C3 | 150.6° | 179.2° |
| C8 | C5 | N1 | C6 | 84.7° | 54.1° |
| C8 | C5 | N1 | C1 | 155.8° | 178.2° |
| C8 | C5 | C4 | H26 | 29.4° | 60.9° |
| C8 | C5 | C4 | H27 | 88.3° | 59.3° |
| C5 | C8 | H32 | H33 | 120.0° | 120.0° |
| C5 | C8 | H32 | H34 | 120.0° | 120.0° |
| C5 | C8 | H33 | H34 | 120.0° | 120.0° |
| O1 | C7 | C6 | H31 | 180.0° | 180.0° |
| O1 | C7 | C6 | N1 | 77.8° | 120.7° |
| O1 | C7 | C6 | H29 | 43.2° | 0.8° |
| O1 | C7 | C6 | H30 | 161.3° | 119.2° |
| C12 | C11 | C13 | C14 | 112.0° | 175.5° |
| C12 | C11 | C13 | O3 | 130.9° | 120.0° |
| C12 | C11 | C13 | H39 | 113.0° | 120.0° |
| C12 | C11 | O3 | H39 | 114.0° | 120.0° |
| C12 | C11 | O3 | S1 | 61.8° | 110.0° |
| C11 | C12 | C15 | H5 | 62.3° | 55.4° |
| C11 | C12 | C15 | H6 | 56.4° | 64.6° |
| C11 | C12 | H40 | H41 | 120.9° | 120.0° |
| C12 | C11 | C13 | H42 | 127.9° | 64.5° |
| C12 | C11 | C13 | H43 | 8.2° | 55.5° |
| C14 | C13 | C11 | H42 | 120.1° | 120.0° |
| C14 | C13 | C11 | H43 | 120.1° | 120.0° |
| C14 | C13 | C11 | O3 | 117.1° | 64.5° |
| C13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C13 | C14 | H2 | H4 | 120.0° | 120.1° |
| C13 | C14 | H3 | H4 | 120.0° | 120.1° |
| C14 | C13 | C11 | H39 | 1.1° | 55.5° |
| C14 | C13 | H42 | H43 | 119.6° | 120.0° |
| C7 | C6 | N1 | C5 | 50.9° | 57.8° |
| C7 | C6 | N1 | H29 | 121.0° | 119.9° |
| C7 | C6 | N1 | H30 | 120.9° | 120.0° |
| C7 | C6 | N1 | C1 | 172.8° | 66.4° |
| C7 | C6 | H29 | H30 | 117.1° | 120.0° |
| C13 | C11 | O3 | H39 | 115.5° | 120.0° |
| C13 | C11 | O3 | S1 | 68.6° | 130.0° |
| C11 | C13 | C14 | H2 | 180.0° | 175.6° |
| C11 | C13 | C14 | H3 | 60.0° | 55.6° |
| C11 | C13 | C14 | H4 | 60.0° | 64.4° |
| C13 | C11 | C12 | H40 | 44.5° | 56.0° |
| C13 | C11 | C12 | H41 | 165.1° | 63.9° |
| C11 | C13 | H42 | H43 | 119.6° | 120.0° |
| C4 | C5 | N1 | H28 | 123.5° | 120.0° |
| C5 | C4 | C3 | H26 | 121.1° | 120.0° |
| C5 | C4 | C3 | H27 | 121.1° | 120.0° |
| C4 | C5 | N1 | C6 | 161.7° | 174.1° |
| C4 | C5 | N1 | C1 | 42.2° | 61.7° |
| C5 | C4 | C3 | C9 | 161.8° | 177.5° |
| C5 | C4 | C3 | C2 | 39.4° | 57.6° |
| C5 | C4 | C3 | H25 | 79.0° | 62.3° |
| C5 | C4 | H26 | H27 | 116.4° | 120.2° |
| C4 | C5 | C8 | H32 | 180.0° | 66.0° |
| C4 | C5 | C8 | H33 | 60.0° | 173.9° |
| C4 | C5 | C8 | H34 | 60.0° | 54.0° |
| N1 | C5 | C4 | C3 | 29.1° | 59.2° |
| C5 | N1 | C6 | C1 | 122.0° | 124.2° |
| C5 | N1 | C1 | C2 | 67.2° | 61.7° |
| C5 | N1 | C1 | C18 | 168.3° | 178.2° |
| C5 | N1 | C1 | H1 | 49.1° | 58.3° |
| N1 | C5 | C4 | H26 | 92.1° | 179.1° |
| N1 | C5 | C4 | H27 | 150.2° | 60.8° |
| C5 | N1 | C6 | H29 | 70.1° | 177.7° |
| C5 | N1 | C6 | H30 | 171.8° | 62.2° |
| N1 | C5 | C8 | H32 | 57.8° | 54.1° |
| N1 | C5 | C8 | H33 | 177.9° | 66.0° |
| N1 | C5 | C8 | H34 | 62.2° | 174.0° |
| C11 | O3 | S1 | O2 | 35.3° | 41.1° |
| C11 | O3 | S1 | C10 | 84.2° | 75.0° |
| C11 | O3 | S1 | O4 | 154.7° | 168.9° |
| O3 | C11 | C12 | H40 | 88.0° | 176.1° |
| O3 | C11 | C12 | H41 | 32.6° | 56.1° |
| O3 | C11 | C13 | H42 | 3.0° | 55.5° |
| O3 | C11 | C13 | H43 | 122.8° | 175.5° |
| C4 | C3 | C9 | C2 | 121.6° | 119.7° |
| C4 | C3 | C9 | H25 | 119.3° | 120.2° |
| C4 | C3 | C2 | H25 | 118.3° | 120.0° |
| C4 | C3 | C9 | C10 | 74.8° | 65.3° |
| C4 | C3 | C2 | C1 | 62.1° | 57.6° |
| C4 | C3 | C2 | H14 | 57.2° | 177.6° |
| C4 | C3 | C2 | H15 | 178.7° | 62.3° |
| C3 | C4 | H26 | H27 | 116.4° | 120.0° |
| C3 | C4 | C5 | H28 | 94.7° | 60.9° |
| C4 | C3 | C9 | H35 | 164.7° | 174.7° |
| C4 | C3 | C9 | H36 | 45.8° | 54.6° |
| C6 | N1 | C1 | C2 | 167.7° | 174.2° |
| C6 | N1 | C1 | C18 | 43.2° | 54.1° |
| C6 | N1 | C1 | H1 | 76.0° | 65.8° |
| C6 | N1 | C5 | H28 | 38.2° | 65.9° |
| N1 | C6 | H29 | H30 | 117.0° | 120.0° |
| N1 | C6 | C7 | H31 | 102.3° | 59.3° |
| N1 | C1 | C2 | C3 | 78.0° | 59.2° |
| N1 | C1 | C2 | C18 | 122.6° | 120.0° |
| N1 | C1 | C2 | H1 | 116.6° | 120.0° |
| N1 | C1 | C18 | H1 | 119.6° | 120.0° |
| N1 | C1 | C18 | C19 | 161.2° | 178.1° |
| N1 | C1 | C18 | H11 | 39.5° | 58.1° |
| N1 | C1 | C18 | H12 | 77.2° | 61.9° |
| N1 | C1 | C2 | H14 | 41.2° | 179.1° |
| N1 | C1 | C2 | H15 | 162.8° | 60.8° |
| C1 | N1 | C5 | H28 | 81.3° | 58.3° |
| C1 | N1 | C6 | H29 | 51.9° | 53.5° |
| C1 | N1 | C6 | H30 | 66.2° | 173.6° |
| O2 | S1 | O3 | C10 | 119.5° | 116.1° |
| O2 | S1 | O3 | O4 | 119.4° | 127.9° |
| O2 | S1 | C10 | C9 | 147.5° | 64.2° |
| O2 | S1 | C10 | O4 | 117.9° | 136.7° |
| O2 | S1 | C10 | H37 | 26.6° | 175.8° |
| O2 | S1 | C10 | H38 | 91.5° | 55.8° |
| O3 | S1 | C10 | C9 | 26.4° | 175.9° |
| O3 | S1 | C10 | O4 | 120.9° | 111.6° |
| O3 | S1 | C10 | H37 | 94.5° | 64.1° |
| O3 | S1 | C10 | H38 | 147.4° | 55.9° |
| S1 | O3 | C11 | H39 | 175.8° | 9.9° |
| C9 | C3 | C2 | H25 | 119.0° | 120.1° |
| C3 | C9 | C10 | H35 | 120.5° | 120.0° |
| C3 | C9 | C10 | H36 | 120.5° | 120.0° |
| C3 | C9 | C10 | S1 | 177.8° | 180.0° |
| C9 | C3 | C2 | C1 | 175.3° | 177.5° |
| C9 | C3 | C2 | H14 | 65.4° | 62.5° |
| C9 | C3 | C2 | H15 | 56.1° | 57.6° |
| C9 | C3 | C4 | H26 | 40.7° | 62.5° |
| C9 | C3 | C4 | H27 | 77.1° | 57.6° |
| C3 | C9 | H35 | H36 | 118.3° | 120.0° |
| C3 | C9 | C10 | H37 | 61.2° | 60.0° |
| C3 | C9 | C10 | H38 | 56.9° | 60.0° |
| C2 | C3 | C9 | C10 | 163.7° | 175.0° |
| C3 | C2 | C1 | H14 | 119.2° | 120.0° |
| C3 | C2 | C1 | H15 | 119.2° | 120.0° |
| C3 | C2 | C1 | C18 | 159.3° | 179.2° |
| C3 | C2 | C1 | H1 | 38.6° | 60.8° |
| C3 | C2 | H14 | H15 | 122.2° | 120.1° |
| C2 | C3 | C4 | H26 | 81.7° | 177.6° |
| C2 | C3 | C4 | H27 | 160.6° | 62.3° |
| C2 | C3 | C9 | H35 | 43.1° | 55.0° |
| C2 | C3 | C9 | H36 | 75.8° | 65.0° |
| C9 | C10 | S1 | H37 | 120.9° | 120.0° |
| C9 | C10 | S1 | H38 | 121.0° | 120.1° |
| C9 | C10 | S1 | O4 | 94.5° | 72.5° |
| C10 | C9 | C3 | H25 | 44.5° | 54.9° |
| C10 | C9 | H35 | H36 | 118.3° | 120.0° |
| C9 | C10 | H37 | H38 | 117.0° | 120.0° |
| S1 | C10 | C9 | H35 | 57.3° | 60.0° |
| S1 | C10 | C9 | H36 | 61.6° | 60.0° |
| S1 | C10 | H37 | H38 | 117.0° | 120.0° |
| O4 | S1 | C10 | H37 | 144.5° | 47.5° |
| O4 | S1 | C10 | H38 | 26.4° | 167.5° |
| C2 | C1 | C18 | H1 | 120.9° | 120.0° |
| C2 | C1 | C18 | C19 | 79.3° | 61.8° |
| C2 | C1 | C18 | H11 | 159.0° | 178.2° |
| C2 | C1 | C18 | H12 | 42.3° | 58.2° |
| C1 | C2 | H14 | H15 | 122.3° | 120.1° |
| C1 | C2 | C3 | H25 | 56.3° | 62.3° |
| C1 | C18 | C19 | H11 | 121.7° | 120.0° |
| C1 | C18 | C19 | H12 | 121.7° | 120.0° |
| C1 | C18 | C19 | C20 | 107.7° | 173.2° |
| C1 | C18 | C19 | C23 | 16.7° | 66.7° |
| C1 | C18 | H11 | H12 | 114.6° | 120.0° |
| C1 | C18 | C19 | H13 | 135.7° | 53.2° |
| C18 | C1 | C2 | H14 | 81.4° | 60.8° |
| C18 | C1 | C2 | H15 | 40.1° | 59.2° |
| C18 | C19 | C20 | C23 | 128.3° | 120.0° |
| C18 | C19 | C20 | H13 | 116.5° | 120.0° |
| C18 | C19 | C23 | H13 | 118.8° | 119.9° |
| C18 | C19 | C20 | C21 | 95.1° | 175.3° |
| C18 | C19 | C23 | C24 | 174.0° | 64.0° |
| C19 | C18 | C1 | H1 | 41.5° | 58.2° |
| C19 | C18 | H11 | H12 | 114.5° | 120.0° |
| C18 | C19 | C20 | H16 | 144.0° | 64.7° |
| C18 | C19 | C20 | H17 | 25.9° | 55.2° |
| C18 | C19 | C23 | H44 | 53.7° | 176.0° |
| C18 | C19 | C23 | H45 | 65.8° | 56.0° |
| C20 | C19 | C23 | H13 | 115.3° | 120.0° |
| C19 | C20 | C21 | H16 | 120.9° | 120.0° |
| C19 | C20 | C21 | H17 | 120.9° | 120.0° |
| C20 | C19 | C23 | C24 | 60.1° | 56.0° |
| C19 | C20 | C21 | C22 | 172.9° | 174.8° |
| C20 | C19 | C18 | H11 | 14.0° | 66.8° |
| C20 | C19 | C18 | H12 | 130.6° | 53.2° |
| C19 | C20 | H16 | H17 | 117.0° | 119.9° |
| C19 | C20 | C21 | H18 | 52.8° | 54.9° |
| C19 | C20 | C21 | H19 | 66.9° | 65.1° |
| C20 | C19 | C23 | H44 | 179.6° | 63.9° |
| C20 | C19 | C23 | H45 | 60.1° | 176.0° |
| C23 | C19 | C20 | C21 | 136.7° | 64.7° |
| C19 | C23 | C24 | H44 | 120.3° | 120.0° |
| C19 | C23 | C24 | H45 | 120.3° | 120.0° |
| C23 | C19 | C18 | H11 | 138.4° | 53.3° |
| C23 | C19 | C18 | H12 | 104.9° | 173.3° |
| C23 | C19 | C20 | H16 | 15.7° | 55.3° |
| C23 | C19 | C20 | H17 | 102.4° | 175.2° |
| C19 | C23 | H44 | H45 | 119.2° | 120.1° |
| C19 | C23 | C24 | H46 | 180.0° | 177.3° |
| C19 | C23 | C24 | H47 | 60.0° | 62.7° |
| C19 | C23 | C24 | H48 | 60.0° | 57.2° |
| C20 | C21 | C22 | H18 | 120.2° | 120.0° |
| C20 | C21 | C22 | H19 | 120.1° | 120.1° |
| C21 | C20 | C19 | H13 | 21.4° | 55.2° |
| C21 | C20 | H16 | H17 | 117.0° | 120.0° |
| C20 | C21 | H18 | H19 | 119.5° | 120.0° |
| C20 | C21 | C22 | H20 | 180.0° | 180.0° |
| C20 | C21 | C22 | H21 | 60.0° | 60.0° |
| C20 | C21 | C22 | H22 | 60.0° | 59.9° |
| C24 | C23 | C19 | H13 | 55.2° | 176.0° |
| C24 | C23 | H44 | H45 | 119.2° | 119.9° |
| C23 | C24 | H46 | H47 | 120.0° | 120.0° |
| C23 | C24 | H46 | H48 | 120.0° | 120.0° |
| C23 | C24 | H47 | H48 | 120.0° | 119.9° |
| C22 | C21 | C20 | H16 | 66.1° | 65.1° |
| C22 | C21 | C20 | H17 | 52.0° | 54.8° |
| C22 | C21 | H18 | H19 | 119.6° | 120.0° |
| C21 | C22 | H20 | H21 | 120.0° | 120.0° |
| C21 | C22 | H20 | H22 | 120.0° | 120.1° |
| C21 | C22 | H21 | H22 | 120.0° | 120.0° |
| H1 | C1 | C18 | H11 | 80.1° | 61.8° |
| H1 | C1 | C18 | H12 | 163.2° | 178.2° |
| H1 | C1 | C2 | H14 | 157.9° | 59.1° |
| H1 | C1 | C2 | H15 | 80.6° | 179.2° |
| H2 | C14 | H3 | H4 | 120.0° | 119.9° |
| H2 | C14 | C13 | H42 | 59.9° | 55.6° |
| H2 | C14 | C13 | H43 | 59.8° | 64.4° |
| H3 | C14 | C13 | H42 | 60.1° | 64.4° |
| H3 | C14 | C13 | H43 | 179.9° | 175.6° |
| H4 | C14 | C13 | H42 | 179.9° | 175.6° |
| H4 | C14 | C13 | H43 | 60.2° | 55.6° |
| H5 | C15 | C16 | H7 | 168.8° | 175.0° |
| H5 | C15 | C12 | H40 | 178.1° | 175.3° |
| H5 | C15 | C12 | H41 | 57.4° | 64.6° |
| H6 | C15 | C16 | H7 | 72.5° | 65.0° |
| H6 | C15 | C12 | H40 | 63.2° | 55.4° |
| H6 | C15 | C12 | H41 | 176.1° | 175.4° |
| H7 | C16 | C17 | H8 | 58.7° | 180.0° |
| H7 | C16 | C17 | H9 | 61.3° | 60.0° |
| H7 | C16 | C17 | H10 | 178.7° | 60.0° |
| H7 | C16 | C25 | H23 | 155.7° | 65.0° |
| H7 | C16 | C25 | H24 | 85.3° | 175.0° |
| H8 | C17 | H9 | H10 | 120.0° | 120.1° |
| H11 | C18 | C19 | H13 | 102.7° | 173.2° |
| H12 | C18 | C19 | H13 | 14.0° | 66.8° |
| H13 | C19 | C20 | H16 | 99.5° | 175.2° |
| H13 | C19 | C20 | H17 | 142.4° | 64.8° |
| H13 | C19 | C23 | H44 | 65.1° | 56.1° |
| H13 | C19 | C23 | H45 | 175.4° | 64.0° |
| H14 | C2 | C3 | H25 | 175.5° | 57.6° |
| H15 | C2 | C3 | H25 | 63.0° | 177.7° |
| H16 | C20 | C21 | H18 | 173.7° | 174.9° |
| H16 | C20 | C21 | H19 | 54.0° | 54.9° |
| H17 | C20 | C21 | H18 | 68.2° | 65.1° |
| H17 | C20 | C21 | H19 | 172.1° | 174.9° |
| H18 | C21 | C22 | H20 | 59.8° | 60.0° |
| H18 | C21 | C22 | H21 | 179.9° | 180.0° |
| H18 | C21 | C22 | H22 | 60.2° | 60.0° |
| H19 | C21 | C22 | H20 | 59.9° | 59.9° |
| H19 | C21 | C22 | H21 | 60.2° | 60.1° |
| H19 | C21 | C22 | H22 | 179.9° | 180.0° |
| H20 | C22 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | C32 | H49 | 59.5° | 60.0° |
| H23 | C25 | C32 | H50 | 60.5° | 180.0° |
| H23 | C25 | C32 | H51 | 179.5° | 60.0° |
| H24 | C25 | C32 | H49 | 59.5° | 60.0° |
| H24 | C25 | C32 | H50 | 179.5° | 60.0° |
| H24 | C25 | C32 | H51 | 60.5° | 180.0° |
| H25 | C3 | C4 | H26 | 159.9° | 57.7° |
| H25 | C3 | C4 | H27 | 42.2° | 177.8° |
| H25 | C3 | C9 | H35 | 76.0° | 65.1° |
| H25 | C3 | C9 | H36 | 165.1° | 174.9° |
| H26 | C4 | C5 | H28 | 144.2° | 59.0° |
| H27 | C4 | C5 | H28 | 26.5° | 179.2° |
| H28 | C5 | C8 | H32 | 65.3° | 174.1° |
| H28 | C5 | C8 | H33 | 54.7° | 54.0° |
| H28 | C5 | C8 | H34 | 174.7° | 66.0° |
| H29 | C6 | C7 | H31 | 136.8° | 179.2° |
| H30 | C6 | C7 | H31 | 18.7° | 60.8° |
| H32 | C8 | H33 | H34 | 120.0° | 120.0° |
| H35 | C9 | C10 | H37 | 178.3° | 180.0° |
| H35 | C9 | C10 | H38 | 63.7° | 60.0° |
| H36 | C9 | C10 | H37 | 59.3° | 60.0° |
| H36 | C9 | C10 | H38 | 177.4° | 180.0° |
| H39 | C11 | C12 | H40 | 157.5° | 64.0° |
| H39 | C11 | C12 | H41 | 81.9° | 176.0° |
| H39 | C11 | C13 | H42 | 119.1° | 175.5° |
| H39 | C11 | C13 | H43 | 121.2° | 64.5° |
| H44 | C23 | C24 | H46 | 59.7° | 57.2° |
| H44 | C23 | C24 | H47 | 179.8° | 177.3° |
| H44 | C23 | C24 | H48 | 60.2° | 62.8° |
| H45 | C23 | C24 | H46 | 59.7° | 62.7° |
| H45 | C23 | C24 | H47 | 60.3° | 57.3° |
| H45 | C23 | C24 | H48 | 179.7° | 177.3° |
| H46 | C24 | H47 | H48 | 120.0° | 120.0° |
| H49 | C32 | H50 | H51 | 120.0° | 120.1° |
