32N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C32 | sing | 1.43Å | 1.43Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.50Å | 1.50Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C36 | sing | 1.53Å | 1.53Å | |
| C34 | C29 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | doub | 1.29Å | 1.32Å | |
| C29 | C30 | sing | 1.50Å | 1.44Å | |
| C29 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | C37 | sing | 1.51Å | 1.50Å | |
| C28 | C27 | doub | 1.34Å | 1.32Å | |
| C27 | C25 | sing | 1.42Å | 1.45Å | |
| C25 | C24 | doub | 1.36Å | 1.35Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | sing | 1.41Å | 1.43Å | |
| C23 | C22 | doub | 1.36Å | 1.34Å | |
| C22 | C20 | sing | 1.40Å | 1.45Å | |
| C20 | C19 | doub | 1.38Å | 1.35Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.40Å | 1.43Å | |
| C18 | C17 | doub | 1.38Å | 1.35Å | |
| C17 | C16 | sing | 1.40Å | 1.43Å | |
| C38 | C15 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | |
| C15 | C14 | sing | 1.40Å | 1.45Å | |
| C14 | C13 | doub | 1.38Å | 1.34Å | |
| C13 | C12 | sing | 1.40Å | 1.44Å | |
| O2 | C39 | sing | 1.43Å | 1.41Å | |
| C39 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.36Å | 1.35Å | |
| C11 | C10 | sing | 1.41Å | 1.45Å | |
| C10 | C9 | doub | 1.36Å | 1.33Å | |
| C9 | C2 | sing | 1.42Å | 1.47Å | |
| C8 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.50Å | 1.53Å | |
| C2 | C1 | doub | 1.32Å | 1.34Å | |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | sing | 1.50Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O | sing | 1.43Å | 1.43Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| O | H19 | sing | 0.97Å | 0.95Å | |
| C10 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.08Å | 1.08Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| C39 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| O2 | H58 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C32 | C33 | 110.3° | 109.3° |
| O1 | C32 | C31 | 112.3° | 109.3° |
| C32 | O1 | H8 | 109.5° | 114.0° |
| O1 | C32 | H41 | 107.3° | 109.3° |
| C32 | C33 | C34 | 116.6° | 108.4° |
| C33 | C32 | C31 | 113.8° | 110.2° |
| C33 | C32 | H41 | 106.1° | 109.3° |
| C32 | C33 | H42 | 107.7° | 109.7° |
| C32 | C33 | H43 | 107.7° | 109.6° |
| C33 | C34 | C35 | 108.3° | 109.6° |
| C33 | C34 | C36 | 109.0° | 109.6° |
| C33 | C34 | C29 | 108.8° | 108.5° |
| C34 | C33 | H42 | 107.7° | 109.7° |
| C34 | C33 | H43 | 107.7° | 109.7° |
| C32 | C31 | C30 | 124.1° | 124.1° |
| C32 | C31 | H40 | 118.0° | 118.0° |
| C31 | C32 | H41 | 106.5° | 109.4° |
| C35 | C34 | C36 | 108.6° | 109.7° |
| C35 | C34 | C29 | 111.0° | 109.8° |
| C34 | C35 | H44 | 109.5° | 109.5° |
| C34 | C35 | H45 | 109.5° | 109.5° |
| C34 | C35 | H46 | 109.5° | 109.5° |
| C36 | C34 | C29 | 111.2° | 109.6° |
| C34 | C36 | H47 | 109.5° | 109.5° |
| C34 | C36 | H48 | 109.5° | 109.4° |
| C34 | C36 | H49 | 109.4° | 109.4° |
| C34 | C29 | C30 | 112.1° | 110.1° |
| C34 | C29 | C28 | 115.5° | 109.3° |
| C34 | C29 | H39 | 103.7° | 109.2° |
| C31 | C30 | C29 | 120.1° | 124.1° |
| C31 | C30 | C37 | 123.5° | 118.0° |
| C30 | C31 | H40 | 117.9° | 118.0° |
| C30 | C29 | C28 | 115.2° | 109.3° |
| C29 | C30 | C37 | 116.4° | 117.9° |
| C30 | C29 | H39 | 104.7° | 109.4° |
| C29 | C28 | C27 | 127.9° | 120.0° |
| C29 | C28 | H38 | 116.0° | 120.0° |
| C28 | C29 | H39 | 104.0° | 109.4° |
| C30 | C37 | H50 | 109.5° | 109.5° |
| C30 | C37 | H51 | 109.4° | 109.4° |
| C30 | C37 | H52 | 109.4° | 109.5° |
| C28 | C27 | C25 | 121.5° | 120.0° |
| C28 | C27 | H37 | 119.2° | 120.0° |
| C27 | C28 | H38 | 116.1° | 120.0° |
| C27 | C25 | C24 | 120.0° | 120.0° |
| C27 | C25 | C26 | 117.6° | 120.0° |
| C25 | C27 | H37 | 119.2° | 119.9° |
| C24 | C25 | C26 | 122.4° | 120.0° |
| C25 | C24 | C23 | 127.2° | 120.0° |
| C25 | C24 | H33 | 116.4° | 120.0° |
| C25 | C26 | H34 | 109.5° | 109.4° |
| C25 | C26 | H35 | 109.5° | 109.5° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C24 | C23 | C22 | 125.2° | 120.0° |
| C24 | C23 | H32 | 117.4° | 120.0° |
| C23 | C24 | H33 | 116.4° | 120.0° |
| C23 | C22 | C20 | 126.5° | 120.0° |
| C23 | C22 | H31 | 116.8° | 120.0° |
| C22 | C23 | H32 | 117.4° | 120.0° |
| C22 | C20 | C19 | 119.7° | 120.1° |
| C22 | C20 | C21 | 117.7° | 120.0° |
| C20 | C22 | H31 | 116.7° | 119.9° |
| C19 | C20 | C21 | 122.7° | 120.0° |
| C20 | C19 | C18 | 127.4° | 120.0° |
| C20 | C19 | H27 | 116.3° | 120.0° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H29 | 109.4° | 109.5° |
| C20 | C21 | H30 | 109.5° | 109.5° |
| C19 | C18 | C17 | 125.0° | 120.0° |
| C19 | C18 | H26 | 117.5° | 120.0° |
| C18 | C19 | H27 | 116.3° | 120.0° |
| C18 | C17 | C16 | 122.1° | 120.0° |
| C18 | C17 | H25 | 119.0° | 120.1° |
| C17 | C18 | H26 | 117.5° | 120.1° |
| C17 | C16 | C15 | 128.3° | 120.0° |
| C17 | C16 | H24 | 115.8° | 120.0° |
| C16 | C17 | H25 | 119.0° | 120.0° |
| C38 | C15 | C16 | 123.4° | 119.9° |
| C38 | C15 | C14 | 118.1° | 120.1° |
| C15 | C38 | H53 | 109.5° | 109.5° |
| C15 | C38 | H54 | 109.5° | 109.5° |
| C15 | C38 | H55 | 109.5° | 109.4° |
| C16 | C15 | C14 | 118.5° | 120.0° |
| C15 | C16 | H24 | 115.9° | 120.0° |
| C15 | C14 | C13 | 128.5° | 120.0° |
| C15 | C14 | H23 | 115.8° | 120.0° |
| C14 | C13 | C12 | 121.7° | 120.0° |
| C14 | C13 | H22 | 119.2° | 120.0° |
| C13 | C14 | H23 | 115.8° | 120.0° |
| C13 | C12 | C11 | 128.2° | 120.0° |
| C13 | C12 | H21 | 115.9° | 120.0° |
| C12 | C13 | H22 | 119.2° | 119.9° |
| O2 | C39 | C11 | 111.3° | 109.5° |
| O2 | C39 | H56 | 109.0° | 109.5° |
| O2 | C39 | H57 | 109.0° | 109.5° |
| C39 | O2 | H58 | 109.5° | 114.0° |
| C39 | C11 | C12 | 121.5° | 120.0° |
| C39 | C11 | C10 | 119.5° | 120.0° |
| C11 | C39 | H56 | 109.0° | 109.4° |
| C11 | C39 | H57 | 109.0° | 109.5° |
| C12 | C11 | C10 | 119.0° | 120.0° |
| C11 | C12 | H21 | 115.9° | 120.0° |
| C11 | C10 | C9 | 127.7° | 120.0° |
| C11 | C10 | H20 | 116.2° | 120.0° |
| C10 | C9 | C2 | 127.8° | 120.0° |
| C10 | C9 | H7 | 116.1° | 120.0° |
| C9 | C10 | H20 | 116.2° | 120.0° |
| C9 | C2 | C3 | 115.5° | 118.2° |
| C9 | C2 | C1 | 121.6° | 118.1° |
| C2 | C9 | H7 | 116.1° | 120.0° |
| C8 | C3 | C2 | 110.9° | 109.4° |
| C8 | C3 | C7 | 109.0° | 109.3° |
| C8 | C3 | C4 | 110.3° | 109.3° |
| C3 | C8 | H4 | 109.5° | 109.4° |
| C3 | C8 | H5 | 109.5° | 109.4° |
| C3 | C8 | H6 | 109.5° | 109.5° |
| C3 | C2 | C1 | 122.9° | 123.7° |
| C2 | C3 | C7 | 110.4° | 109.3° |
| C2 | C3 | C4 | 110.6° | 110.1° |
| C2 | C1 | C | 124.8° | 118.2° |
| C2 | C1 | C6 | 120.5° | 123.7° |
| C7 | C3 | C4 | 105.5° | 109.4° |
| C3 | C7 | H1 | 109.5° | 109.5° |
| C3 | C7 | H2 | 109.5° | 109.5° |
| C3 | C7 | H3 | 109.4° | 109.5° |
| C3 | C4 | C5 | 112.1° | 108.5° |
| C3 | C4 | H13 | 108.8° | 109.6° |
| C3 | C4 | H14 | 108.8° | 109.8° |
| C | C1 | C6 | 114.8° | 118.2° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C1 | C6 | C5 | 112.0° | 110.1° |
| C1 | C6 | H11 | 108.8° | 109.4° |
| C1 | C6 | H12 | 108.8° | 109.3° |
| C4 | C5 | C6 | 110.1° | 108.5° |
| C4 | C5 | O | 109.5° | 109.6° |
| C4 | C5 | H10 | 108.6° | 109.8° |
| C5 | C4 | H13 | 108.8° | 109.6° |
| C5 | C4 | H14 | 108.8° | 109.6° |
| C6 | C5 | O | 110.3° | 109.6° |
| C6 | C5 | H10 | 108.6° | 109.7° |
| C5 | C6 | H11 | 108.8° | 109.4° |
| C5 | C6 | H12 | 108.8° | 109.3° |
| O | C5 | H10 | 109.8° | 109.6° |
| C5 | O | H19 | 109.5° | 114.0° |
| H1 | C7 | H2 | 109.4° | 109.4° |
| H1 | C7 | H3 | 109.5° | 109.4° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.3° |
| H13 | C4 | H14 | 109.5° | 109.7° |
| H16 | C | H17 | 109.5° | 109.4° |
| H16 | C | H18 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H28 | C21 | H30 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H34 | C26 | H35 | 109.4° | 109.4° |
| H34 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.6° |
| H42 | C33 | H43 | 109.4° | 109.8° |
| H44 | C35 | H45 | 109.5° | 109.4° |
| H44 | C35 | H46 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H47 | C36 | H48 | 109.4° | 109.5° |
| H47 | C36 | H49 | 109.5° | 109.5° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| H50 | C37 | H51 | 109.5° | 109.5° |
| H50 | C37 | H52 | 109.4° | 109.5° |
| H51 | C37 | H52 | 109.5° | 109.5° |
| H53 | C38 | H54 | 109.5° | 109.5° |
| H53 | C38 | H55 | 109.4° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.4° |
| H56 | C39 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C32 | C33 | C31 | 127.4° | 120.2° |
| O1 | C32 | C33 | H41 | 115.9° | 119.6° |
| O1 | C32 | C33 | C34 | 123.5° | 169.6° |
| O1 | C32 | C31 | H41 | 117.2° | 119.7° |
| O1 | C32 | C31 | C30 | 145.5° | 137.4° |
| O1 | C32 | C31 | H40 | 34.5° | 42.7° |
| O1 | C32 | C33 | H42 | 115.4° | 70.7° |
| O1 | C32 | C33 | H43 | 2.5° | 50.0° |
| C32 | C33 | C34 | H42 | 121.1° | 119.7° |
| C32 | C33 | C34 | H43 | 121.1° | 119.6° |
| C33 | C32 | C31 | H41 | 116.5° | 120.1° |
| C32 | C33 | C34 | C35 | 159.5° | 52.5° |
| C32 | C33 | C34 | C36 | 82.5° | 172.9° |
| C32 | C33 | C34 | C29 | 38.8° | 67.4° |
| C33 | C32 | C31 | C30 | 19.2° | 17.2° |
| C33 | C32 | O1 | H8 | 180.0° | 179.2° |
| C33 | C32 | C31 | H40 | 160.8° | 162.9° |
| C32 | C33 | H42 | H43 | 116.7° | 120.5° |
| C34 | C33 | C32 | C31 | 3.8° | 49.5° |
| C33 | C34 | C35 | C36 | 118.2° | 120.4° |
| C33 | C34 | C35 | C29 | 119.3° | 119.1° |
| C33 | C34 | C36 | C29 | 119.9° | 118.9° |
| C33 | C34 | C29 | C30 | 56.2° | 49.4° |
| C33 | C34 | C29 | C28 | 169.3° | 70.7° |
| C33 | C34 | C29 | H39 | 56.2° | 169.6° |
| C34 | C33 | C32 | H41 | 120.6° | 70.7° |
| C34 | C33 | H42 | H43 | 116.8° | 120.6° |
| C33 | C34 | C35 | H44 | 180.0° | 60.0° |
| C33 | C34 | C35 | H45 | 60.0° | 179.9° |
| C33 | C34 | C35 | H46 | 60.0° | 60.1° |
| C33 | C34 | C36 | H47 | 180.0° | 60.0° |
| C33 | C34 | C36 | H48 | 60.0° | 180.0° |
| C33 | C34 | C36 | H49 | 60.0° | 60.0° |
| C32 | C31 | C30 | H40 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 1.4° | 0.5° |
| C32 | C31 | C30 | C37 | 179.4° | 179.5° |
| C31 | C32 | O1 | H8 | 51.8° | 60.1° |
| C31 | C32 | C33 | H42 | 117.2° | 169.2° |
| C31 | C32 | C33 | H43 | 124.9° | 70.2° |
| C35 | C34 | C36 | C29 | 122.3° | 120.7° |
| C35 | C34 | C29 | C30 | 175.2° | 70.4° |
| C35 | C34 | C29 | C28 | 50.2° | 169.5° |
| C35 | C34 | C29 | H39 | 62.9° | 49.8° |
| C35 | C34 | C33 | H42 | 38.5° | 67.2° |
| C35 | C34 | C33 | H43 | 79.4° | 172.1° |
| C34 | C35 | H44 | H45 | 120.0° | 120.0° |
| C34 | C35 | H44 | H46 | 120.0° | 120.1° |
| C34 | C35 | H45 | H46 | 120.0° | 120.1° |
| C35 | C34 | C36 | H47 | 62.2° | 179.6° |
| C35 | C34 | C36 | H48 | 57.8° | 59.6° |
| C35 | C34 | C36 | H49 | 177.8° | 60.4° |
| C36 | C34 | C29 | C30 | 63.8° | 169.1° |
| C36 | C34 | C29 | C28 | 70.8° | 48.9° |
| C36 | C34 | C29 | H39 | 176.1° | 70.8° |
| C36 | C34 | C33 | H42 | 156.4° | 53.2° |
| C36 | C34 | C33 | H43 | 38.6° | 67.5° |
| C36 | C34 | C35 | H44 | 61.8° | 60.4° |
| C36 | C34 | C35 | H45 | 178.2° | 59.6° |
| C36 | C34 | C35 | H46 | 58.2° | 179.6° |
| C34 | C36 | H47 | H48 | 120.0° | 119.9° |
| C34 | C36 | H47 | H49 | 120.0° | 120.0° |
| C34 | C36 | H48 | H49 | 120.0° | 119.9° |
| C34 | C29 | C30 | C31 | 38.1° | 17.1° |
| C34 | C29 | C30 | C28 | 134.7° | 120.2° |
| C34 | C29 | C30 | H39 | 111.7° | 120.0° |
| C34 | C29 | C28 | H39 | 112.9° | 119.6° |
| C34 | C29 | C30 | C37 | 141.1° | 162.9° |
| C34 | C29 | C28 | C27 | 32.9° | 119.3° |
| C34 | C29 | C28 | H38 | 147.1° | 60.6° |
| C29 | C34 | C33 | H42 | 82.2° | 172.9° |
| C29 | C34 | C33 | H43 | 159.9° | 52.2° |
| C29 | C34 | C35 | H44 | 60.7° | 179.1° |
| C29 | C34 | C35 | H45 | 59.3° | 61.0° |
| C29 | C34 | C35 | H46 | 179.3° | 59.0° |
| C29 | C34 | C36 | H47 | 60.1° | 58.9° |
| C29 | C34 | C36 | H48 | 179.9° | 61.1° |
| C29 | C34 | C36 | H49 | 59.9° | 179.0° |
| C31 | C30 | C29 | C37 | 179.2° | 180.0° |
| C31 | C30 | C29 | C28 | 172.8° | 103.1° |
| C31 | C30 | C29 | H39 | 73.6° | 137.1° |
| C30 | C31 | C32 | H41 | 97.3° | 102.9° |
| C31 | C30 | C37 | H50 | 180.0° | 90.0° |
| C31 | C30 | C37 | H51 | 60.0° | 30.0° |
| C31 | C30 | C37 | H52 | 60.0° | 150.0° |
| C30 | C29 | C28 | H39 | 113.9° | 119.8° |
| C30 | C29 | C28 | C27 | 100.2° | 120.0° |
| C30 | C29 | C28 | H38 | 79.8° | 60.0° |
| C29 | C30 | C31 | H40 | 178.6° | 179.6° |
| C29 | C30 | C37 | H50 | 0.8° | 90.0° |
| C29 | C30 | C37 | H51 | 119.2° | 150.0° |
| C29 | C30 | C37 | H52 | 120.8° | 30.0° |
| C28 | C29 | C30 | C37 | 6.4° | 77.0° |
| C29 | C28 | C27 | H38 | 180.0° | 179.9° |
| C29 | C28 | C27 | C25 | 179.9° | 180.0° |
| C29 | C28 | C27 | H37 | 0.2° | 0.1° |
| C37 | C30 | C29 | H39 | 107.1° | 42.8° |
| C37 | C30 | C31 | H40 | 0.6° | 0.4° |
| C30 | C37 | H50 | H51 | 120.0° | 120.0° |
| C30 | C37 | H50 | H52 | 120.0° | 120.0° |
| C30 | C37 | H51 | H52 | 120.0° | 120.0° |
| C28 | C27 | C25 | H37 | 180.0° | 180.0° |
| C28 | C27 | C25 | C24 | 176.6° | 180.0° |
| C28 | C27 | C25 | C26 | 3.8° | 0.0° |
| C27 | C28 | C29 | H39 | 145.8° | 0.3° |
| C27 | C25 | C24 | C26 | 179.6° | 180.0° |
| C27 | C25 | C24 | C23 | 177.7° | 180.0° |
| C27 | C25 | C24 | H33 | 2.3° | 0.0° |
| C27 | C25 | C26 | H34 | 180.0° | 90.0° |
| C27 | C25 | C26 | H35 | 60.0° | 29.9° |
| C27 | C25 | C26 | H36 | 60.0° | 150.0° |
| C25 | C27 | C28 | H38 | 0.1° | 0.0° |
| C25 | C24 | C23 | H33 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 178.7° | 180.0° |
| C25 | C24 | C23 | H32 | 1.3° | 0.1° |
| C24 | C25 | C26 | H34 | 0.3° | 90.0° |
| C24 | C25 | C26 | H35 | 119.6° | 150.1° |
| C24 | C25 | C26 | H36 | 120.4° | 30.0° |
| C24 | C25 | C27 | H37 | 3.4° | 0.0° |
| C26 | C25 | C24 | C23 | 1.9° | 0.0° |
| C26 | C25 | C24 | H33 | 178.1° | 180.0° |
| C25 | C26 | H34 | H35 | 120.0° | 119.9° |
| C25 | C26 | H34 | H36 | 120.0° | 120.0° |
| C25 | C26 | H35 | H36 | 120.0° | 120.0° |
| C26 | C25 | C27 | H37 | 176.2° | 179.9° |
| C24 | C23 | C22 | H32 | 180.0° | 179.9° |
| C24 | C23 | C22 | C20 | 179.6° | 179.9° |
| C24 | C23 | C22 | H31 | 0.4° | 0.0° |
| C23 | C22 | C20 | H31 | 180.0° | 179.9° |
| C23 | C22 | C20 | C19 | 172.7° | 180.0° |
| C23 | C22 | C20 | C21 | 8.0° | 0.0° |
| C22 | C23 | C24 | H33 | 1.3° | 0.0° |
| C22 | C20 | C19 | C21 | 179.2° | 180.0° |
| C22 | C20 | C19 | C18 | 177.7° | 180.0° |
| C22 | C20 | C19 | H27 | 2.3° | 0.0° |
| C22 | C20 | C21 | H28 | 180.0° | 90.0° |
| C22 | C20 | C21 | H29 | 60.0° | 30.0° |
| C22 | C20 | C21 | H30 | 60.0° | 149.9° |
| C20 | C22 | C23 | H32 | 0.4° | 0.0° |
| C20 | C19 | C18 | H27 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 179.7° | 180.0° |
| C20 | C19 | C18 | H26 | 0.3° | 0.0° |
| C19 | C20 | C21 | H28 | 0.7° | 90.0° |
| C19 | C20 | C21 | H29 | 119.2° | 150.0° |
| C19 | C20 | C21 | H30 | 120.8° | 30.0° |
| C19 | C20 | C22 | H31 | 7.3° | 0.1° |
| C21 | C20 | C19 | C18 | 1.5° | 0.0° |
| C21 | C20 | C19 | H27 | 178.5° | 180.0° |
| C20 | C21 | H28 | H29 | 120.0° | 120.0° |
| C20 | C21 | H28 | H30 | 120.0° | 120.0° |
| C20 | C21 | H29 | H30 | 120.0° | 119.9° |
| C21 | C20 | C22 | H31 | 172.0° | 180.0° |
| C19 | C18 | C17 | H26 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.3° | 180.0° |
| C19 | C18 | C17 | H25 | 0.7° | 0.0° |
| C18 | C17 | C16 | H25 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C18 | C17 | C16 | H24 | 0.1° | 0.0° |
| C17 | C18 | C19 | H27 | 0.3° | 0.0° |
| C17 | C16 | C15 | C38 | 2.6° | 0.0° |
| C17 | C16 | C15 | H24 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 175.3° | 180.0° |
| C16 | C17 | C18 | H26 | 0.8° | 0.0° |
| C38 | C15 | C16 | C14 | 178.0° | 180.0° |
| C38 | C15 | C14 | C13 | 4.4° | 0.0° |
| C38 | C15 | C14 | H23 | 175.5° | 180.0° |
| C38 | C15 | C16 | H24 | 177.3° | 180.0° |
| C15 | C38 | H53 | H54 | 120.0° | 120.1° |
| C15 | C38 | H53 | H55 | 120.0° | 120.0° |
| C15 | C38 | H54 | H55 | 120.0° | 119.9° |
| C16 | C15 | C14 | C13 | 173.6° | 180.0° |
| C16 | C15 | C14 | H23 | 6.4° | 0.1° |
| C15 | C16 | C17 | H25 | 0.1° | 0.0° |
| C16 | C15 | C38 | H53 | 180.0° | 90.0° |
| C16 | C15 | C38 | H54 | 60.0° | 30.1° |
| C16 | C15 | C38 | H55 | 60.0° | 150.0° |
| C15 | C14 | C13 | H23 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.8° | 180.0° |
| C15 | C14 | C13 | H22 | 0.2° | 0.1° |
| C14 | C15 | C16 | H24 | 4.7° | 0.1° |
| C14 | C15 | C38 | H53 | 2.0° | 90.0° |
| C14 | C15 | C38 | H54 | 122.1° | 150.0° |
| C14 | C15 | C38 | H55 | 118.0° | 30.0° |
| C14 | C13 | C12 | H22 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 179.6° | 174.6° |
| C14 | C13 | C12 | H21 | 0.5° | 5.3° |
| C13 | C12 | C11 | C39 | 1.1° | 5.9° |
| C13 | C12 | C11 | H21 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 178.2° | 174.1° |
| C12 | C13 | C14 | H23 | 0.2° | 0.1° |
| O2 | C39 | C11 | H56 | 120.3° | 120.0° |
| O2 | C39 | C11 | H57 | 120.3° | 120.0° |
| O2 | C39 | C11 | C12 | 114.1° | 115.3° |
| O2 | C39 | C11 | C10 | 65.2° | 64.6° |
| O2 | C39 | H56 | H57 | 119.1° | 120.0° |
| C39 | C11 | C12 | C10 | 179.3° | 179.9° |
| C39 | C11 | C10 | C9 | 0.7° | 0.0° |
| C39 | C11 | C10 | H20 | 179.3° | 180.0° |
| C39 | C11 | C12 | H21 | 178.9° | 174.0° |
| C11 | C39 | H56 | H57 | 119.2° | 120.0° |
| C11 | C39 | O2 | H58 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.6° | 180.0° |
| C12 | C11 | C10 | H20 | 1.4° | 0.0° |
| C11 | C12 | C13 | H22 | 0.4° | 5.4° |
| C12 | C11 | C39 | H56 | 125.6° | 4.7° |
| C12 | C11 | C39 | H57 | 6.1° | 124.7° |
| C11 | C10 | C9 | H20 | 180.0° | 180.0° |
| C11 | C10 | C9 | C2 | 180.0° | 174.5° |
| C11 | C10 | C9 | H7 | 0.0° | 5.5° |
| C10 | C11 | C12 | H21 | 1.8° | 6.0° |
| C10 | C11 | C39 | H56 | 55.1° | 175.4° |
| C10 | C11 | C39 | H57 | 174.6° | 55.4° |
| C10 | C9 | C2 | H7 | 180.0° | 180.0° |
| C10 | C9 | C2 | C3 | 83.5° | 122.8° |
| C10 | C9 | C2 | C1 | 96.4° | 57.3° |
| C9 | C2 | C3 | C8 | 29.7° | 42.7° |
| C9 | C2 | C3 | C1 | 180.0° | 179.9° |
| C9 | C2 | C3 | C7 | 91.2° | 77.0° |
| C9 | C2 | C3 | C4 | 152.4° | 162.8° |
| C9 | C2 | C1 | C | 21.5° | 0.6° |
| C9 | C2 | C1 | C6 | 159.1° | 179.6° |
| C2 | C9 | C10 | H20 | 0.0° | 5.5° |
| C8 | C3 | C2 | C7 | 120.9° | 119.7° |
| C8 | C3 | C2 | C4 | 122.8° | 120.2° |
| C8 | C3 | C2 | C1 | 150.4° | 137.4° |
| C8 | C3 | C7 | C4 | 118.5° | 119.7° |
| C8 | C3 | C4 | C5 | 169.6° | 170.1° |
| C8 | C3 | C7 | H1 | 180.0° | 60.0° |
| C8 | C3 | C7 | H2 | 60.0° | 179.9° |
| C8 | C3 | C7 | H3 | 60.0° | 60.0° |
| C3 | C8 | H4 | H5 | 120.0° | 120.0° |
| C3 | C8 | H4 | H6 | 120.0° | 120.0° |
| C3 | C8 | H5 | H6 | 120.0° | 120.0° |
| C8 | C3 | C4 | H13 | 70.0° | 50.4° |
| C8 | C3 | C4 | H14 | 49.2° | 70.1° |
| C2 | C3 | C7 | C4 | 119.5° | 120.6° |
| C3 | C2 | C1 | C | 158.4° | 179.3° |
| C3 | C2 | C1 | C6 | 21.0° | 0.5° |
| C2 | C3 | C4 | C5 | 46.6° | 49.9° |
| C2 | C3 | C7 | H1 | 58.0° | 179.7° |
| C2 | C3 | C7 | H2 | 62.0° | 60.4° |
| C2 | C3 | C7 | H3 | 178.0° | 59.7° |
| C2 | C3 | C8 | H4 | 180.0° | 64.7° |
| C2 | C3 | C8 | H5 | 60.0° | 55.3° |
| C2 | C3 | C8 | H6 | 60.0° | 175.4° |
| C3 | C2 | C9 | H7 | 96.4° | 57.2° |
| C2 | C3 | C4 | H13 | 166.9° | 69.8° |
| C2 | C3 | C4 | H14 | 73.8° | 169.6° |
| C1 | C2 | C3 | C7 | 88.7° | 102.9° |
| C1 | C2 | C3 | C4 | 27.6° | 17.3° |
| C2 | C1 | C | C6 | 179.4° | 179.8° |
| C2 | C1 | C6 | C5 | 32.1° | 17.2° |
| C1 | C2 | C9 | H7 | 83.6° | 122.8° |
| C2 | C1 | C6 | H11 | 88.2° | 103.0° |
| C2 | C1 | C6 | H12 | 152.5° | 137.4° |
| C2 | C1 | C | H16 | 180.0° | 174.5° |
| C2 | C1 | C | H17 | 60.0° | 65.5° |
| C2 | C1 | C | H18 | 60.0° | 54.6° |
| C7 | C3 | C4 | C5 | 72.8° | 70.2° |
| C3 | C7 | H1 | H2 | 120.0° | 120.0° |
| C3 | C7 | H1 | H3 | 120.0° | 120.0° |
| C3 | C7 | H2 | H3 | 120.0° | 120.1° |
| C7 | C3 | C8 | H4 | 58.3° | 55.0° |
| C7 | C3 | C8 | H5 | 61.7° | 175.0° |
| C7 | C3 | C8 | H6 | 178.3° | 65.0° |
| C7 | C3 | C4 | H13 | 47.6° | 170.1° |
| C7 | C3 | C4 | H14 | 166.8° | 49.5° |
| C3 | C4 | C5 | H13 | 120.4° | 119.7° |
| C3 | C4 | C5 | H14 | 120.4° | 119.9° |
| C3 | C4 | C5 | C6 | 60.4° | 68.2° |
| C3 | C4 | C5 | O | 178.3° | 172.0° |
| C4 | C3 | C7 | H1 | 61.5° | 59.7° |
| C4 | C3 | C7 | H2 | 178.5° | 60.3° |
| C4 | C3 | C7 | H3 | 58.5° | 179.7° |
| C4 | C3 | C8 | H4 | 57.1° | 174.7° |
| C4 | C3 | C8 | H5 | 177.1° | 65.4° |
| C4 | C3 | C8 | H6 | 62.9° | 54.7° |
| C3 | C4 | C5 | H10 | 58.4° | 51.7° |
| C3 | C4 | H13 | H14 | 118.8° | 120.6° |
| C | C1 | C6 | C5 | 147.3° | 162.5° |
| C | C1 | C6 | H11 | 92.3° | 77.2° |
| C | C1 | C6 | H12 | 27.0° | 42.4° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.1° |
| C1 | C6 | C5 | C4 | 50.7° | 49.9° |
| C1 | C6 | C5 | H11 | 120.4° | 120.2° |
| C1 | C6 | C5 | H12 | 120.4° | 120.1° |
| C1 | C6 | C5 | O | 171.6° | 169.6° |
| C1 | C6 | C5 | H10 | 68.0° | 70.0° |
| C1 | C6 | H11 | H12 | 118.9° | 119.6° |
| C6 | C1 | C | H16 | 0.6° | 5.2° |
| C6 | C1 | C | H17 | 120.5° | 114.7° |
| C6 | C1 | C | H18 | 119.4° | 125.2° |
| C4 | C5 | C6 | O | 120.9° | 119.7° |
| C4 | C5 | C6 | H10 | 118.7° | 119.9° |
| C4 | C5 | O | H10 | 119.1° | 120.5° |
| C4 | C5 | C6 | H11 | 69.7° | 70.3° |
| C4 | C5 | C6 | H12 | 171.1° | 170.0° |
| C5 | C4 | H13 | H14 | 118.8° | 120.4° |
| C4 | C5 | O | H19 | 180.0° | 179.4° |
| C6 | C5 | O | H10 | 119.6° | 120.4° |
| C5 | C6 | H11 | H12 | 118.8° | 119.7° |
| C6 | C5 | C4 | H13 | 179.2° | 51.4° |
| C6 | C5 | C4 | H14 | 60.0° | 171.9° |
| C6 | C5 | O | H19 | 58.8° | 60.3° |
| O | C5 | C6 | H11 | 51.2° | 49.4° |
| O | C5 | C6 | H12 | 68.0° | 70.3° |
| O | C5 | C4 | H13 | 57.9° | 68.3° |
| O | C5 | C4 | H14 | 61.3° | 52.1° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H7 | C9 | C10 | H20 | 180.0° | 174.5° |
| H8 | O1 | C32 | H41 | 64.9° | 59.6° |
| H10 | C5 | C6 | H11 | 171.6° | 169.7° |
| H10 | C5 | C6 | H12 | 52.4° | 50.1° |
| H10 | C5 | C4 | H13 | 62.0° | 171.3° |
| H10 | C5 | C4 | H14 | 178.8° | 68.2° |
| H10 | C5 | O | H19 | 60.9° | 60.1° |
| H16 | C | H17 | H18 | 120.0° | 120.0° |
| H21 | C12 | C13 | H22 | 179.5° | 174.6° |
| H22 | C13 | C14 | H23 | 179.8° | 180.0° |
| H24 | C16 | C17 | H25 | 179.9° | 179.9° |
| H25 | C17 | C18 | H26 | 179.2° | NaN° |
| H26 | C18 | C19 | H27 | 179.8° | 180.0° |
| H28 | C21 | H29 | H30 | 120.0° | 120.0° |
| H31 | C22 | C23 | H32 | 179.6° | 179.9° |
| H32 | C23 | C24 | H33 | 178.7° | 179.9° |
| H34 | C26 | H35 | H36 | 120.0° | 120.1° |
| H37 | C27 | C28 | H38 | 179.8° | 180.0° |
| H38 | C28 | C29 | H39 | 34.2° | 179.8° |
| H40 | C31 | C32 | H41 | 82.7° | 77.0° |
| H41 | C32 | C33 | H42 | 0.4° | 49.0° |
| H41 | C32 | C33 | H43 | 118.3° | 169.6° |
| H44 | C35 | H45 | H46 | 120.0° | 119.9° |
| H47 | C36 | H48 | H49 | 120.0° | 120.1° |
| H50 | C37 | H51 | H52 | 120.0° | 120.0° |
| H53 | C38 | H54 | H55 | 119.9° | 120.0° |
| H56 | C39 | O2 | H58 | 59.7° | 60.0° |
| H57 | C39 | O2 | H58 | 59.7° | 60.0° |
