HLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | N7 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O14 | C4 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O15 | sing | 1.43Å | 1.42Å | |
| C3 | O13 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| N7 | H10 | sing | 1.01Å | 1.00Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| O13 | H21 | sing | 0.97Å | 0.95Å | |
| O14 | H22 | sing | 0.97Å | 0.95Å | |
| O15 | H23 | sing | 0.97Å | 0.95Å | |
| O1 | H24 | sing | 0.97Å | 0.95Å | |
| C12 | C7 | sing | 1.53Å | 18.30Å | |
| C7 | C13 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | N1 | sing | 1.46Å | 0.00Å | |
| N1 | C15 | sing | 1.35Å | 0.00Å | |
| C15 | C16 | sing | 1.51Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C15 | O2 | doub | 1.21Å | 0.00Å | |
| C19 | N2 | sing | 1.46Å | 0.00Å | |
| N2 | C21 | doub | 1.31Å | 0.00Å | |
| C21 | C22 | sing | 1.52Å | 0.00Å | |
| C22 | C23 | sing | 1.51Å | 0.00Å | |
| C23 | C24 | sing | 1.40Å | 0.00Å | Aromatic |
| C24 | N2 | sing | 1.36Å | 0.00Å | |
| C7 | H11 | sing | 1.09Å | 0.00Å | |
| C7 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | H25 | sing | 1.09Å | 0.00Å | |
| C13 | H26 | sing | 1.09Å | 0.00Å | |
| C14 | H27 | sing | 1.09Å | 0.00Å | |
| C14 | H28 | sing | 1.09Å | 0.00Å | |
| N1 | H29 | sing | 0.97Å | 0.00Å | |
| C16 | H30 | sing | 1.09Å | 0.00Å | |
| C16 | H31 | sing | 1.09Å | 0.00Å | |
| C17 | H32 | sing | 1.09Å | 0.00Å | |
| C17 | H33 | sing | 1.09Å | 0.00Å | |
| C18 | H34 | sing | 1.09Å | 0.00Å | |
| C18 | H35 | sing | 1.09Å | 0.00Å | |
| C19 | H36 | sing | 1.09Å | 0.00Å | |
| C19 | H37 | sing | 1.09Å | 0.00Å | |
| C24 | C20 | doub | 1.40Å | 0.00Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 0.00Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 0.00Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 0.00Å | Aromatic |
| C27 | C23 | doub | 1.37Å | 0.00Å | Aromatic |
| C21 | C28 | sing | 1.40Å | 0.00Å | |
| C28 | C29 | doub | 1.37Å | 0.00Å | |
| C29 | C30 | sing | 1.40Å | 0.00Å | |
| C30 | C31 | doub | 1.36Å | 0.00Å | |
| C31 | C32 | sing | 1.41Å | 0.00Å | |
| C32 | C33 | doub | 1.35Å | 0.00Å | |
| C22 | C34 | sing | 1.53Å | 0.00Å | |
| C22 | C35 | sing | 1.53Å | 0.00Å | |
| C33 | C36 | sing | 1.51Å | 0.00Å | |
| C36 | C37 | sing | 1.51Å | 0.00Å | |
| C37 | C38 | sing | 1.39Å | 0.00Å | Aromatic |
| C38 | N3 | sing | 1.39Å | 0.00Å | |
| N3 | C33 | sing | 1.37Å | 0.00Å | |
| N3 | C40 | sing | 1.46Å | 0.00Å | |
| C36 | C41 | sing | 1.53Å | 0.00Å | |
| C36 | C42 | sing | 1.53Å | 0.00Å | |
| C38 | C39 | doub | 1.39Å | 0.00Å | Aromatic |
| C39 | C43 | sing | 1.38Å | 0.00Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 0.00Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 0.00Å | Aromatic |
| C45 | C37 | doub | 1.38Å | 0.00Å | Aromatic |
| C20 | H38 | sing | 1.08Å | 0.00Å | |
| C25 | H39 | sing | 1.08Å | 0.00Å | |
| C26 | H40 | sing | 1.08Å | 0.00Å | |
| C27 | H41 | sing | 1.08Å | 0.00Å | |
| C28 | H42 | sing | 1.08Å | 0.00Å | |
| C29 | H43 | sing | 1.08Å | 0.00Å | |
| C30 | H44 | sing | 1.08Å | 0.00Å | |
| C31 | H45 | sing | 1.08Å | 0.00Å | |
| C32 | H46 | sing | 1.08Å | 0.00Å | |
| C34 | H47 | sing | 1.09Å | 0.00Å | |
| C34 | H48 | sing | 1.09Å | 0.00Å | |
| C34 | H49 | sing | 1.09Å | 0.00Å | |
| C35 | H50 | sing | 1.09Å | 0.00Å | |
| C35 | H51 | sing | 1.09Å | 0.00Å | |
| C35 | H52 | sing | 1.09Å | 0.00Å | |
| C40 | H53 | sing | 1.09Å | 0.00Å | |
| C40 | H54 | sing | 1.09Å | 0.00Å | |
| C40 | H55 | sing | 1.09Å | 0.00Å | |
| C41 | H56 | sing | 1.09Å | 0.00Å | |
| C41 | H57 | sing | 1.09Å | 0.00Å | |
| C41 | H58 | sing | 1.09Å | 0.00Å | |
| C42 | H59 | sing | 1.09Å | 0.00Å | |
| C42 | H60 | sing | 1.09Å | 0.00Å | |
| C42 | H61 | sing | 1.09Å | 0.00Å | |
| C39 | H62 | sing | 1.08Å | 0.00Å | |
| C43 | H63 | sing | 1.08Å | 0.00Å | |
| C44 | H64 | sing | 1.08Å | 0.00Å | |
| C45 | H65 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 109.0° | 109.5° |
| C5 | C6 | N7 | 112.0° | 109.5° |
| C6 | C5 | C4 | 115.8° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C6 | C5 | H6 | 107.8° | 109.5° |
| C5 | C6 | H7 | 108.0° | 109.5° |
| C1 | C6 | N7 | 110.8° | 109.5° |
| C6 | C1 | C2 | 105.6° | 109.5° |
| C6 | C1 | O1 | 108.8° | 109.5° |
| C6 | C1 | H1 | 109.3° | 109.5° |
| C1 | C6 | H7 | 108.2° | 109.4° |
| C6 | N7 | C8 | 112.3° | 111.0° |
| N7 | C6 | H7 | 108.8° | 109.5° |
| C6 | N7 | H10 | 108.8° | 111.0° |
| C5 | C4 | O14 | 113.8° | 109.5° |
| C5 | C4 | C3 | 112.2° | 109.5° |
| C5 | C4 | H4 | 107.5° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.4° |
| C4 | C5 | H6 | 107.9° | 109.5° |
| N7 | C8 | C9 | 108.3° | 109.5° |
| N7 | C8 | H8 | 109.8° | 109.4° |
| N7 | C8 | H9 | 109.8° | 109.5° |
| C8 | N7 | H10 | 108.8° | 111.0° |
| C8 | C9 | C10 | 110.8° | 109.4° |
| C9 | C8 | H8 | 109.8° | 109.5° |
| C9 | C8 | H9 | 109.8° | 109.5° |
| C8 | C9 | H12 | 109.2° | 109.5° |
| C8 | C9 | H13 | 109.2° | 109.5° |
| C1 | C2 | C3 | 108.1° | 109.5° |
| C1 | C2 | O15 | 110.9° | 109.4° |
| C2 | C1 | O1 | 113.7° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C1 | C2 | H2 | 107.7° | 109.5° |
| C11 | C10 | C9 | 111.2° | 109.4° |
| C10 | C11 | C12 | 112.1° | 109.4° |
| C11 | C10 | H14 | 109.0° | 109.5° |
| C11 | C10 | H15 | 109.1° | 109.5° |
| C10 | C11 | H16 | 108.8° | 109.5° |
| C10 | C11 | H17 | 108.8° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.4° |
| C10 | C9 | H13 | 109.1° | 109.5° |
| C9 | C10 | H14 | 109.0° | 109.4° |
| C9 | C10 | H15 | 109.0° | 109.5° |
| C12 | C11 | H16 | 108.8° | 109.5° |
| C12 | C11 | H17 | 108.8° | 109.5° |
| C11 | C12 | H18 | 111.8° | 109.5° |
| C11 | C12 | H19 | 111.8° | 109.5° |
| C11 | C12 | C7 | 99.7° | 109.4° |
| O14 | C4 | C3 | 107.1° | 109.4° |
| O14 | C4 | H4 | 108.5° | 109.5° |
| C4 | O14 | H22 | 109.5° | 114.0° |
| C4 | C3 | C2 | 107.0° | 109.5° |
| C4 | C3 | O13 | 109.2° | 109.5° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| C3 | C2 | O15 | 112.9° | 109.5° |
| C2 | C3 | O13 | 110.8° | 109.5° |
| C3 | C2 | H2 | 108.0° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| O15 | C2 | H2 | 109.2° | 109.5° |
| C2 | O15 | H23 | 109.5° | 114.0° |
| O13 | C3 | H3 | 110.8° | 109.5° |
| C3 | O13 | H21 | 109.5° | 114.0° |
| O1 | C1 | H1 | 110.0° | 109.4° |
| C1 | O1 | H24 | 109.5° | 114.0° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.4° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | C7 | 111.8° | 109.4° |
| H19 | C12 | C7 | 111.9° | 109.5° |
| C12 | C7 | C13 | 90.0° | 109.4° |
| C12 | C7 | H11 | 90.0° | 109.5° |
| C12 | C7 | H20 | 90.0° | 109.5° |
| C7 | C13 | C14 | 90.0° | 109.5° |
| C13 | C7 | H11 | 90.0° | 109.4° |
| C13 | C7 | H20 | 90.0° | 109.4° |
| C7 | C13 | H25 | 90.0° | 109.5° |
| C7 | C13 | H26 | 90.0° | 109.5° |
| C13 | C14 | N1 | 90.0° | 109.5° |
| C14 | C13 | H25 | 90.0° | 109.4° |
| C14 | C13 | H26 | 90.0° | 109.5° |
| C13 | C14 | H27 | 90.0° | 109.4° |
| C13 | C14 | H28 | 90.0° | 109.5° |
| C14 | N1 | C15 | 90.0° | 120.0° |
| N1 | C14 | H27 | 90.0° | 109.5° |
| N1 | C14 | H28 | 90.0° | 109.5° |
| C14 | N1 | H29 | 90.0° | 120.0° |
| N1 | C15 | C16 | 90.0° | 120.0° |
| N1 | C15 | O2 | 90.0° | 120.0° |
| C15 | N1 | H29 | 90.0° | 120.0° |
| C15 | C16 | C17 | 90.0° | 109.5° |
| C16 | C15 | O2 | 90.0° | 120.0° |
| C15 | C16 | H30 | 90.0° | 109.5° |
| C15 | C16 | H31 | 90.0° | 109.4° |
| C16 | C17 | C18 | 90.0° | 109.4° |
| C17 | C16 | H30 | 90.0° | 109.4° |
| C17 | C16 | H31 | 90.0° | 109.5° |
| C16 | C17 | H32 | 90.0° | 109.4° |
| C16 | C17 | H33 | 90.0° | 109.5° |
| C17 | C18 | C19 | 90.0° | 109.4° |
| C18 | C17 | H32 | 90.0° | 109.5° |
| C18 | C17 | H33 | 90.0° | 109.5° |
| C17 | C18 | H34 | 90.0° | 109.5° |
| C17 | C18 | H35 | 90.0° | 109.5° |
| C18 | C19 | N2 | 90.0° | 109.5° |
| C19 | C18 | H34 | 90.0° | 109.4° |
| C19 | C18 | H35 | 90.0° | 109.5° |
| C18 | C19 | H36 | 90.0° | 109.4° |
| C18 | C19 | H37 | 90.0° | 109.5° |
| C19 | N2 | C21 | 90.0° | 123.1° |
| C19 | N2 | C24 | 90.0° | 123.2° |
| N2 | C19 | H36 | 90.0° | 109.5° |
| N2 | C19 | H37 | 90.0° | 109.4° |
| N2 | C21 | C22 | 90.0° | 107.4° |
| C21 | N2 | C24 | 90.0° | 113.7° |
| N2 | C21 | C28 | 90.0° | 126.3° |
| C21 | C22 | C23 | 90.0° | 103.2° |
| C22 | C21 | C28 | 90.0° | 126.3° |
| C21 | C22 | C34 | 90.0° | 110.7° |
| C21 | C22 | C35 | 90.0° | 110.7° |
| C22 | C23 | C24 | 90.0° | 105.4° |
| C22 | C23 | C27 | 90.0° | 133.7° |
| C23 | C22 | C34 | 90.0° | 110.7° |
| C23 | C22 | C35 | 90.0° | 110.6° |
| C23 | C24 | N2 | 90.0° | 110.3° |
| C23 | C24 | C20 | 90.0° | 118.6° |
| C24 | C23 | C27 | 90.0° | 120.9° |
| N2 | C24 | C20 | 90.0° | 131.1° |
| H11 | C7 | H20 | 90.0° | 109.5° |
| H25 | C13 | H26 | 90.0° | 109.5° |
| H27 | C14 | H28 | 90.0° | 109.5° |
| H30 | C16 | H31 | 90.0° | 109.5° |
| H32 | C17 | H33 | 90.0° | 109.5° |
| H34 | C18 | H35 | 90.0° | 109.5° |
| H36 | C19 | H37 | 90.0° | 109.5° |
| C24 | C20 | C25 | 90.0° | 120.0° |
| C24 | C20 | H38 | 90.0° | 120.0° |
| C20 | C25 | C26 | 90.0° | 120.6° |
| C25 | C20 | H38 | 90.0° | 120.0° |
| C20 | C25 | H39 | 90.0° | 119.7° |
| C25 | C26 | C27 | 90.0° | 119.9° |
| C26 | C25 | H39 | 90.0° | 119.7° |
| C25 | C26 | H40 | 90.0° | 120.0° |
| C26 | C27 | C23 | 90.0° | 120.0° |
| C27 | C26 | H40 | 90.0° | 120.1° |
| C26 | C27 | H41 | 90.0° | 120.0° |
| C23 | C27 | H41 | 90.0° | 120.0° |
| C21 | C28 | C29 | 90.0° | 120.0° |
| C21 | C28 | H42 | 90.0° | 120.0° |
| C28 | C29 | C30 | 90.0° | 120.0° |
| C29 | C28 | H42 | 90.0° | 120.0° |
| C28 | C29 | H43 | 90.0° | 120.0° |
| C29 | C30 | C31 | 90.0° | 120.0° |
| C30 | C29 | H43 | 90.0° | 120.0° |
| C29 | C30 | H44 | 90.0° | 120.0° |
| C30 | C31 | C32 | 90.0° | 120.0° |
| C31 | C30 | H44 | 90.0° | 120.0° |
| C30 | C31 | H45 | 90.0° | 120.0° |
| C31 | C32 | C33 | 90.0° | 120.0° |
| C32 | C31 | H45 | 90.0° | 120.0° |
| C31 | C32 | H46 | 90.0° | 120.0° |
| C32 | C33 | C36 | 90.0° | 126.6° |
| C32 | C33 | N3 | 90.0° | 126.6° |
| C33 | C32 | H46 | 90.0° | 120.0° |
| C34 | C22 | C35 | 90.0° | 110.7° |
| C22 | C34 | H47 | 90.0° | 109.5° |
| C22 | C34 | H48 | 90.0° | 109.5° |
| C22 | C34 | H49 | 90.0° | 109.5° |
| C22 | C35 | H50 | 90.0° | 109.4° |
| C22 | C35 | H51 | 90.0° | 109.5° |
| C22 | C35 | H52 | 90.0° | 109.5° |
| C33 | C36 | C37 | 90.0° | 104.2° |
| C36 | C33 | N3 | 90.0° | 106.8° |
| C33 | C36 | C41 | 90.0° | 110.5° |
| C33 | C36 | C42 | 90.0° | 110.5° |
| C36 | C37 | C38 | 90.0° | 106.7° |
| C37 | C36 | C41 | 90.0° | 110.5° |
| C37 | C36 | C42 | 90.0° | 110.5° |
| C36 | C37 | C45 | 90.0° | 132.5° |
| C37 | C38 | N3 | 90.0° | 110.4° |
| C37 | C38 | C39 | 90.0° | 119.0° |
| C38 | C37 | C45 | 90.0° | 120.7° |
| C38 | N3 | C33 | 90.0° | 111.8° |
| C38 | N3 | C40 | 90.0° | 124.1° |
| N3 | C38 | C39 | 90.0° | 130.6° |
| C33 | N3 | C40 | 90.0° | 124.1° |
| N3 | C40 | H53 | 90.0° | 109.5° |
| N3 | C40 | H54 | 90.0° | 109.5° |
| N3 | C40 | H55 | 90.0° | 109.5° |
| C41 | C36 | C42 | 90.0° | 110.5° |
| C36 | C41 | H56 | 90.0° | 109.5° |
| C36 | C41 | H57 | 90.0° | 109.5° |
| C36 | C41 | H58 | 90.0° | 109.5° |
| C36 | C42 | H59 | 90.0° | 109.4° |
| C36 | C42 | H60 | 90.0° | 109.5° |
| C36 | C42 | H61 | 90.0° | 109.5° |
| C38 | C39 | C43 | 90.0° | 120.1° |
| C38 | C39 | H62 | 90.0° | 119.9° |
| C39 | C43 | C44 | 90.0° | 120.3° |
| C43 | C39 | H62 | 90.0° | 119.9° |
| C39 | C43 | H63 | 90.0° | 119.8° |
| C43 | C44 | C45 | 90.0° | 119.9° |
| C44 | C43 | H63 | 90.0° | 119.9° |
| C43 | C44 | H64 | 90.0° | 120.0° |
| C44 | C45 | C37 | 90.0° | 119.9° |
| C45 | C44 | H64 | 90.0° | 120.0° |
| C44 | C45 | H65 | 90.0° | 120.0° |
| C37 | C45 | H65 | 90.0° | 120.0° |
| H47 | C34 | H48 | 90.0° | 109.5° |
| H47 | C34 | H49 | 90.0° | 109.5° |
| H48 | C34 | H49 | 90.0° | 109.4° |
| H50 | C35 | H51 | 90.0° | 109.5° |
| H50 | C35 | H52 | 90.0° | 109.5° |
| H51 | C35 | H52 | 90.0° | 109.5° |
| H53 | C40 | H54 | 90.0° | 109.4° |
| H53 | C40 | H55 | 90.0° | 109.5° |
| H54 | C40 | H55 | 90.0° | 109.5° |
| H56 | C41 | H57 | 90.0° | 109.5° |
| H56 | C41 | H58 | 90.0° | 109.4° |
| H57 | C41 | H58 | 90.0° | 109.4° |
| H59 | C42 | H60 | 90.0° | 109.5° |
| H59 | C42 | H61 | 90.0° | 109.4° |
| H60 | C42 | H61 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | N7 | 123.7° | 120.0° |
| C5 | C6 | C1 | H7 | 117.1° | 120.0° |
| C5 | C6 | N7 | H7 | 119.3° | 120.0° |
| C6 | C5 | C4 | H5 | 120.9° | 120.0° |
| C6 | C5 | C4 | H6 | 120.9° | 120.0° |
| C5 | C6 | N7 | C8 | 137.1° | 85.0° |
| C5 | C6 | C1 | C2 | 59.1° | 60.0° |
| C6 | C5 | C4 | O14 | 166.3° | 60.0° |
| C6 | C5 | C4 | C3 | 44.5° | 60.0° |
| C5 | C6 | C1 | O1 | 63.3° | 180.0° |
| C5 | C6 | C1 | H1 | 176.6° | 60.1° |
| C6 | C5 | C4 | H4 | 73.5° | 180.0° |
| C6 | C5 | H5 | H6 | 117.1° | 120.0° |
| C5 | C6 | N7 | H10 | 16.7° | 39.0° |
| C1 | C6 | N7 | H7 | 118.8° | 120.0° |
| C1 | C6 | C5 | C4 | 47.3° | 60.0° |
| C1 | C6 | N7 | C8 | 100.9° | 155.0° |
| C6 | C1 | C2 | O1 | 119.2° | 120.0° |
| C6 | C1 | C2 | H1 | 117.4° | 120.0° |
| C6 | C1 | C2 | C3 | 73.3° | 60.0° |
| C6 | C1 | C2 | O15 | 162.5° | 60.0° |
| C6 | C1 | O1 | H1 | 119.7° | 120.0° |
| C6 | C1 | C2 | H2 | 43.1° | 180.0° |
| C1 | C6 | C5 | H5 | 168.2° | 180.0° |
| C1 | C6 | C5 | H6 | 73.6° | 60.0° |
| C1 | C6 | N7 | H10 | 138.7° | 81.1° |
| C6 | C1 | O1 | H24 | 180.0° | 180.0° |
| N7 | C6 | C5 | C4 | 75.6° | 180.0° |
| C6 | N7 | C8 | H10 | 120.4° | 124.0° |
| C6 | N7 | C8 | C9 | 179.5° | 180.0° |
| N7 | C6 | C1 | C2 | 64.5° | 180.0° |
| N7 | C6 | C1 | O1 | 173.0° | 59.9° |
| N7 | C6 | C1 | H1 | 52.9° | 60.0° |
| N7 | C6 | C5 | H5 | 45.3° | 60.0° |
| N7 | C6 | C5 | H6 | 163.5° | 60.0° |
| C6 | N7 | C8 | H8 | 60.6° | 60.0° |
| C6 | N7 | C8 | H9 | 59.7° | 60.0° |
| C5 | C4 | O14 | C3 | 124.6° | 120.0° |
| C5 | C4 | O14 | H4 | 119.6° | 120.0° |
| C5 | C4 | C3 | H4 | 118.0° | 120.0° |
| C5 | C4 | C3 | C2 | 53.5° | 60.0° |
| C5 | C4 | C3 | O13 | 173.4° | 60.0° |
| C5 | C4 | C3 | H3 | 65.1° | 180.0° |
| C4 | C5 | H5 | H6 | 117.2° | 120.0° |
| C4 | C5 | C6 | H7 | 164.6° | 60.0° |
| C5 | C4 | O14 | H22 | 180.0° | 180.0° |
| N7 | C8 | C9 | H8 | 119.8° | 120.0° |
| N7 | C8 | C9 | H9 | 119.8° | 120.0° |
| N7 | C8 | C9 | C10 | 173.5° | 180.0° |
| C8 | N7 | C6 | H7 | 17.9° | 35.0° |
| N7 | C8 | H8 | H9 | 120.6° | 120.0° |
| N7 | C8 | C9 | H12 | 66.3° | 60.0° |
| N7 | C8 | C9 | H13 | 53.4° | 60.0° |
| C8 | C9 | C10 | C11 | 145.8° | 180.0° |
| C8 | C9 | C10 | H12 | 120.2° | 120.0° |
| C8 | C9 | C10 | H13 | 120.2° | 120.0° |
| C9 | C8 | H8 | H9 | 120.5° | 120.0° |
| C9 | C8 | N7 | H10 | 59.1° | 56.0° |
| C8 | C9 | H12 | H13 | 119.4° | 120.0° |
| C8 | C9 | C10 | H14 | 25.5° | 60.0° |
| C8 | C9 | C10 | H15 | 93.9° | 60.0° |
| C1 | C2 | C3 | C4 | 69.5° | 60.0° |
| C1 | C2 | C3 | O15 | 123.0° | 120.0° |
| C1 | C2 | C3 | H2 | 116.3° | 120.0° |
| C1 | C2 | O15 | H2 | 118.5° | 120.0° |
| C1 | C2 | C3 | O13 | 171.6° | 60.0° |
| C2 | C1 | O1 | H1 | 123.0° | 120.0° |
| C1 | C2 | C3 | H3 | 49.0° | 180.0° |
| C2 | C1 | C6 | H7 | 176.3° | 60.0° |
| C1 | C2 | O15 | H23 | 180.0° | 180.0° |
| C2 | C1 | O1 | H24 | 62.7° | 60.0° |
| C11 | C10 | C9 | H14 | 120.3° | 120.0° |
| C11 | C10 | C9 | H15 | 120.3° | 120.0° |
| C10 | C11 | C12 | H16 | 120.4° | 120.0° |
| C10 | C11 | C12 | H17 | 120.4° | 120.0° |
| C11 | C10 | C9 | H12 | 25.6° | 60.0° |
| C11 | C10 | C9 | H13 | 94.0° | 60.0° |
| C11 | C10 | H14 | H15 | 119.2° | 120.0° |
| C10 | C11 | H16 | H17 | 118.8° | 120.0° |
| C10 | C11 | C12 | H18 | 25.2° | 60.0° |
| C10 | C11 | C12 | H19 | 98.0° | 60.0° |
| C10 | C11 | C12 | C7 | 143.6° | 180.0° |
| C9 | C10 | C11 | C12 | 143.3° | 180.0° |
| C10 | C9 | C8 | H8 | 53.7° | 60.1° |
| C10 | C9 | C8 | H9 | 66.6° | 60.0° |
| C10 | C9 | H12 | H13 | 119.4° | 120.0° |
| C9 | C10 | H14 | H15 | 119.2° | 120.0° |
| C9 | C10 | C11 | H16 | 96.3° | 60.1° |
| C9 | C10 | C11 | H17 | 23.0° | 60.0° |
| C12 | C11 | C10 | H14 | 96.4° | 60.0° |
| C12 | C11 | C10 | H15 | 23.1° | 60.0° |
| C12 | C11 | H16 | H17 | 118.8° | 120.0° |
| C11 | C12 | H18 | H19 | 124.5° | 120.0° |
| C11 | C12 | H18 | C7 | 110.9° | 120.0° |
| C11 | C12 | H19 | C7 | 110.9° | 120.0° |
| C11 | C12 | C7 | C13 | 90.0° | 180.0° |
| C11 | C12 | C7 | H11 | 90.0° | 60.0° |
| C11 | C12 | C7 | H20 | 90.0° | 60.1° |
| O14 | C4 | C3 | H4 | 116.5° | 120.0° |
| O14 | C4 | C3 | C2 | 179.0° | 60.0° |
| O14 | C4 | C3 | O13 | 61.1° | 180.0° |
| O14 | C4 | C3 | H3 | 60.4° | 60.0° |
| O14 | C4 | C5 | H5 | 72.8° | 60.0° |
| O14 | C4 | C5 | H6 | 45.4° | 180.0° |
| C4 | C3 | C2 | O13 | 118.9° | 120.0° |
| C4 | C3 | C2 | H3 | 118.5° | 120.0° |
| C4 | C3 | C2 | O15 | 167.5° | 60.0° |
| C4 | C3 | O13 | H3 | 120.6° | 120.0° |
| C4 | C3 | C2 | H2 | 46.8° | 180.0° |
| C3 | C4 | C5 | H5 | 165.4° | 180.0° |
| C3 | C4 | C5 | H6 | 76.4° | 60.0° |
| C4 | C3 | O13 | H21 | 180.0° | 60.0° |
| C3 | C4 | O14 | H22 | 55.4° | 60.0° |
| C3 | C2 | O15 | H2 | 120.1° | 120.0° |
| C2 | C3 | O13 | H3 | 121.8° | 120.0° |
| C3 | C2 | C1 | O1 | 45.9° | 180.0° |
| C3 | C2 | C1 | H1 | 169.3° | 60.0° |
| C2 | C3 | C4 | H4 | 64.5° | 180.0° |
| C2 | C3 | O13 | H21 | 62.5° | 180.0° |
| C3 | C2 | O15 | H23 | 58.6° | 60.0° |
| O15 | C2 | C3 | O13 | 48.6° | 180.0° |
| O15 | C2 | C1 | O1 | 78.3° | 60.0° |
| O15 | C2 | C1 | H1 | 45.1° | 180.0° |
| O15 | C2 | C3 | H3 | 74.0° | 60.0° |
| O13 | C3 | C2 | H2 | 72.2° | 60.0° |
| O13 | C3 | C4 | H4 | 55.4° | 60.0° |
| O1 | C1 | C2 | H2 | 162.3° | 60.0° |
| O1 | C1 | C6 | H7 | 53.9° | 60.0° |
| H1 | C1 | C2 | H2 | 74.3° | 60.0° |
| H1 | C1 | C6 | H7 | 66.3° | 180.0° |
| H1 | C1 | O1 | H24 | 60.3° | 60.0° |
| H2 | C2 | C3 | H3 | 165.3° | 60.0° |
| H2 | C2 | O15 | H23 | 61.4° | 60.0° |
| H3 | C3 | C4 | H4 | 176.9° | 60.0° |
| H3 | C3 | O13 | H21 | 59.3° | 60.0° |
| H4 | C4 | C5 | H5 | 47.4° | 60.0° |
| H4 | C4 | C5 | H6 | 165.6° | 59.9° |
| H4 | C4 | O14 | H22 | 60.4° | 59.9° |
| H5 | C5 | C6 | H7 | 74.5° | 60.0° |
| H6 | C5 | C6 | H7 | 43.7° | 180.0° |
| H7 | C6 | N7 | H10 | 102.6° | 159.0° |
| H8 | C8 | N7 | H10 | 179.0° | 176.0° |
| H8 | C8 | C9 | H12 | 173.9° | 180.0° |
| H8 | C8 | C9 | H13 | 66.5° | 60.0° |
| H9 | C8 | N7 | H10 | 60.7° | 64.0° |
| H9 | C8 | C9 | H12 | 53.6° | 60.0° |
| H9 | C8 | C9 | H13 | 173.2° | 180.0° |
| H12 | C9 | C10 | H14 | 94.7° | NaN° |
| H12 | C9 | C10 | H15 | 145.9° | 60.0° |
| H13 | C9 | C10 | H14 | 145.7° | 60.0° |
| H13 | C9 | C10 | H15 | 26.3° | 180.0° |
| H14 | C10 | C11 | H16 | 24.0° | 180.0° |
| H14 | C10 | C11 | H17 | 143.2° | 59.9° |
| H15 | C10 | C11 | H16 | 143.5° | 60.0° |
| H15 | C10 | C11 | H17 | 97.3° | 179.9° |
| H16 | C11 | C12 | H18 | 145.6° | 180.0° |
| H16 | C11 | C12 | H19 | 22.4° | 60.0° |
| H16 | C11 | C12 | C7 | 96.0° | 60.0° |
| H17 | C11 | C12 | H18 | 95.2° | 59.9° |
| H17 | C11 | C12 | H19 | 141.6° | 180.0° |
| H17 | C11 | C12 | C7 | 23.2° | 60.0° |
| H18 | C12 | H19 | C7 | 124.5° | 120.0° |
| H18 | C12 | C7 | C13 | 90.0° | 60.0° |
| H18 | C12 | C7 | H11 | 90.0° | 180.0° |
| H18 | C12 | C7 | H20 | 90.0° | 60.0° |
| H19 | C12 | C7 | C13 | 90.0° | 60.0° |
| H19 | C12 | C7 | H11 | 90.0° | 60.0° |
| H19 | C12 | C7 | H20 | 90.0° | 180.0° |
| C12 | C7 | C13 | H11 | 90.0° | 120.0° |
| C12 | C7 | C13 | H20 | 90.0° | 120.0° |
| C12 | C7 | C13 | C14 | 90.0° | 180.0° |
| C12 | C7 | H11 | H20 | 90.0° | 120.1° |
| C12 | C7 | C13 | H25 | 90.0° | 60.0° |
| C12 | C7 | C13 | H26 | 90.0° | 60.0° |
| C7 | C13 | C14 | H25 | 90.0° | 120.0° |
| C7 | C13 | C14 | H26 | 90.0° | 120.1° |
| C7 | C13 | C14 | N1 | 90.0° | 180.0° |
| C13 | C7 | H11 | H20 | 90.0° | 120.0° |
| C7 | C13 | H25 | H26 | 90.0° | 120.1° |
| C7 | C13 | C14 | H27 | 90.0° | 60.0° |
| C7 | C13 | C14 | H28 | 90.0° | 59.9° |
| C13 | C14 | N1 | H27 | 90.0° | 119.9° |
| C13 | C14 | N1 | H28 | 90.0° | 120.0° |
| C13 | C14 | N1 | C15 | 90.0° | 179.9° |
| C14 | C13 | C7 | H11 | 90.0° | 60.1° |
| C14 | C13 | C7 | H20 | 90.0° | 60.0° |
| C14 | C13 | H25 | H26 | 90.0° | 120.0° |
| C13 | C14 | H27 | H28 | 90.0° | 120.0° |
| C13 | C14 | N1 | H29 | 90.0° | 0.1° |
| C14 | N1 | C15 | H29 | 90.0° | 180.0° |
| C14 | N1 | C15 | C16 | 90.0° | 180.0° |
| C14 | N1 | C15 | O2 | 90.0° | 0.0° |
| N1 | C14 | C13 | H25 | 90.0° | 60.0° |
| N1 | C14 | C13 | H26 | 90.0° | 59.9° |
| N1 | C14 | H27 | H28 | 90.0° | 120.1° |
| N1 | C15 | C16 | O2 | 90.0° | 179.9° |
| N1 | C15 | C16 | C17 | 90.0° | 180.0° |
| C15 | N1 | C14 | H27 | 90.0° | 60.0° |
| C15 | N1 | C14 | H28 | 90.0° | 60.0° |
| N1 | C15 | C16 | H30 | 90.0° | 60.0° |
| N1 | C15 | C16 | H31 | 90.0° | 60.1° |
| C15 | C16 | C17 | H30 | 90.0° | 120.0° |
| C15 | C16 | C17 | H31 | 90.0° | 119.9° |
| C15 | C16 | C17 | C18 | 90.0° | 179.9° |
| C16 | C15 | N1 | H29 | 90.0° | 0.0° |
| C15 | C16 | H30 | H31 | 90.0° | 120.0° |
| C15 | C16 | C17 | H32 | 90.0° | 60.0° |
| C15 | C16 | C17 | H33 | 90.0° | 60.0° |
| C16 | C17 | C18 | H32 | 90.0° | 120.0° |
| C16 | C17 | C18 | H33 | 90.0° | 120.0° |
| C16 | C17 | C18 | C19 | 90.0° | NaN° |
| C17 | C16 | C15 | O2 | 90.0° | 0.1° |
| C17 | C16 | H30 | H31 | 90.0° | 120.0° |
| C16 | C17 | H32 | H33 | 90.0° | 120.0° |
| C16 | C17 | C18 | H34 | 90.0° | 60.0° |
| C16 | C17 | C18 | H35 | 90.0° | 60.0° |
| C17 | C18 | C19 | H34 | 90.0° | 120.0° |
| C17 | C18 | C19 | H35 | 90.0° | 120.0° |
| C17 | C18 | C19 | N2 | 90.0° | 180.0° |
| C18 | C17 | C16 | H30 | 90.0° | 60.0° |
| C18 | C17 | C16 | H31 | 90.0° | 60.0° |
| C18 | C17 | H32 | H33 | 90.0° | 120.1° |
| C17 | C18 | H34 | H35 | 90.0° | 120.1° |
| C17 | C18 | C19 | H36 | 90.0° | 60.0° |
| C17 | C18 | C19 | H37 | 90.0° | 60.0° |
| C18 | C19 | N2 | H36 | 90.0° | 120.0° |
| C18 | C19 | N2 | H37 | 90.0° | 119.9° |
| C18 | C19 | N2 | C21 | 90.0° | 115.9° |
| C18 | C19 | N2 | C24 | 90.0° | 64.4° |
| C19 | C18 | C17 | H32 | 90.0° | 60.0° |
| C19 | C18 | C17 | H33 | 90.0° | 60.0° |
| C19 | C18 | H34 | H35 | 90.0° | 120.0° |
| C18 | C19 | H36 | H37 | 90.0° | 120.0° |
| O2 | C15 | N1 | H29 | 90.0° | 180.0° |
| O2 | C15 | C16 | H30 | 90.0° | 119.9° |
| O2 | C15 | C16 | H31 | 90.0° | 120.0° |
| C19 | N2 | C21 | C24 | 90.0° | 179.7° |
| C19 | N2 | C21 | C22 | 90.0° | 180.0° |
| C19 | N2 | C24 | C23 | 90.0° | 179.9° |
| N2 | C19 | C18 | H34 | 90.0° | 60.0° |
| N2 | C19 | C18 | H35 | 90.0° | 60.0° |
| N2 | C19 | H36 | H37 | 90.0° | 120.0° |
| C19 | N2 | C24 | C20 | 90.0° | 0.3° |
| C19 | N2 | C21 | C28 | 90.0° | 0.0° |
| N2 | C21 | C22 | C28 | 90.0° | 180.0° |
| N2 | C21 | C22 | C23 | 90.0° | 0.0° |
| C21 | N2 | C24 | C23 | 90.0° | 0.3° |
| C21 | N2 | C19 | H36 | 90.0° | 4.1° |
| C21 | N2 | C19 | H37 | 90.0° | 124.2° |
| C21 | N2 | C24 | C20 | 90.0° | 180.0° |
| N2 | C21 | C28 | C29 | 90.0° | 178.2° |
| N2 | C21 | C22 | C34 | 90.0° | 118.5° |
| N2 | C21 | C22 | C35 | 90.0° | 118.4° |
| N2 | C21 | C28 | H42 | 90.0° | 1.7° |
| C21 | C22 | C23 | C34 | 90.0° | 118.5° |
| C21 | C22 | C23 | C35 | 90.0° | 118.4° |
| C21 | C22 | C23 | C24 | 90.0° | 0.2° |
| C22 | C21 | N2 | C24 | 90.0° | 0.2° |
| C21 | C22 | C23 | C27 | 90.0° | 180.0° |
| C22 | C21 | C28 | C29 | 90.0° | 1.8° |
| C21 | C22 | C34 | C35 | 90.0° | 123.1° |
| C22 | C21 | C28 | H42 | 90.0° | 178.3° |
| C21 | C22 | C34 | H47 | 90.0° | 60.0° |
| C21 | C22 | C34 | H48 | 90.0° | 180.0° |
| C21 | C22 | C34 | H49 | 90.0° | 60.0° |
| C21 | C22 | C35 | H50 | 90.0° | 60.0° |
| C21 | C22 | C35 | H51 | 90.0° | 180.0° |
| C21 | C22 | C35 | H52 | 90.0° | 60.0° |
| C22 | C23 | C24 | C27 | 90.0° | 179.9° |
| C22 | C23 | C24 | N2 | 90.0° | 0.3° |
| C22 | C23 | C24 | C20 | 90.0° | 180.0° |
| C22 | C23 | C27 | C26 | 90.0° | 179.9° |
| C23 | C22 | C21 | C28 | 90.0° | 180.0° |
| C23 | C22 | C34 | C35 | 90.0° | 123.1° |
| C22 | C23 | C27 | H41 | 90.0° | 0.2° |
| C23 | C22 | C34 | H47 | 90.0° | 173.8° |
| C23 | C22 | C34 | H48 | 90.0° | 66.1° |
| C23 | C22 | C34 | H49 | 90.0° | 53.8° |
| C23 | C22 | C35 | H50 | 90.0° | 53.8° |
| C23 | C22 | C35 | H51 | 90.0° | 66.2° |
| C23 | C22 | C35 | H52 | 90.0° | 173.8° |
| C23 | C24 | N2 | C20 | 90.0° | 179.6° |
| C23 | C24 | C20 | C25 | 90.0° | 0.0° |
| C24 | C23 | C27 | C26 | 90.0° | 0.3° |
| C24 | C23 | C22 | C34 | 90.0° | 118.6° |
| C24 | C23 | C22 | C35 | 90.0° | 118.2° |
| C23 | C24 | C20 | H38 | 90.0° | 179.9° |
| C24 | C23 | C27 | H41 | 90.0° | 180.0° |
| C24 | N2 | C19 | H36 | 90.0° | 175.6° |
| C24 | N2 | C19 | H37 | 90.0° | 55.5° |
| N2 | C24 | C20 | C25 | 90.0° | 179.6° |
| N2 | C24 | C23 | C27 | 90.0° | 179.8° |
| C24 | N2 | C21 | C28 | 90.0° | 179.8° |
| N2 | C24 | C20 | H38 | 90.0° | 0.5° |
| H11 | C7 | C13 | H25 | 90.0° | 180.0° |
| H11 | C7 | C13 | H26 | 90.0° | 60.0° |
| H20 | C7 | C13 | H25 | 90.0° | 60.0° |
| H20 | C7 | C13 | H26 | 90.0° | 180.0° |
| H25 | C13 | C14 | H27 | 90.0° | 180.0° |
| H25 | C13 | C14 | H28 | 90.0° | 60.0° |
| H26 | C13 | C14 | H27 | 90.0° | 60.0° |
| H26 | C13 | C14 | H28 | 90.0° | 180.0° |
| H27 | C14 | N1 | H29 | 90.0° | 120.0° |
| H28 | C14 | N1 | H29 | 90.0° | 120.0° |
| H30 | C16 | C17 | H32 | 90.0° | 180.0° |
| H30 | C16 | C17 | H33 | 90.0° | 60.0° |
| H31 | C16 | C17 | H32 | 90.0° | 60.0° |
| H31 | C16 | C17 | H33 | 90.0° | 180.0° |
| H32 | C17 | C18 | H34 | 90.0° | 180.0° |
| H32 | C17 | C18 | H35 | 90.0° | 60.0° |
| H33 | C17 | C18 | H34 | 90.0° | 60.0° |
| H33 | C17 | C18 | H35 | 90.0° | 180.0° |
| H34 | C18 | C19 | H36 | 90.0° | NaN° |
| H34 | C18 | C19 | H37 | 90.0° | 60.0° |
| H35 | C18 | C19 | H36 | 90.0° | 60.0° |
| H35 | C18 | C19 | H37 | 90.0° | 180.0° |
| C24 | C20 | C25 | H38 | 90.0° | 179.9° |
| C24 | C20 | C25 | C26 | 90.0° | 0.0° |
| C20 | C24 | C23 | C27 | 90.0° | 0.1° |
| C24 | C20 | C25 | H39 | 90.0° | 179.9° |
| C20 | C25 | C26 | H39 | 90.0° | 180.0° |
| C20 | C25 | C26 | C27 | 90.0° | 0.2° |
| C20 | C25 | C26 | H40 | 90.0° | 180.0° |
| C25 | C26 | C27 | H40 | 90.0° | 179.8° |
| C25 | C26 | C27 | C23 | 90.0° | 0.3° |
| C26 | C25 | C20 | H38 | 90.0° | 179.9° |
| C25 | C26 | C27 | H41 | 90.0° | 180.0° |
| C26 | C27 | C23 | H41 | 90.0° | 179.7° |
| C27 | C26 | C25 | H39 | 90.0° | 179.8° |
| C27 | C23 | C22 | C34 | 90.0° | 61.5° |
| C27 | C23 | C22 | C35 | 90.0° | 61.6° |
| C23 | C27 | C26 | H40 | 90.0° | 179.8° |
| C21 | C28 | C29 | H42 | 90.0° | 179.9° |
| C21 | C28 | C29 | C30 | 90.0° | 177.5° |
| C28 | C21 | C22 | C34 | 90.0° | 61.5° |
| C28 | C21 | C22 | C35 | 90.0° | 61.6° |
| C21 | C28 | C29 | H43 | 90.0° | 2.5° |
| C28 | C29 | C30 | H43 | 90.0° | 180.0° |
| C28 | C29 | C30 | C31 | 90.0° | 180.0° |
| C28 | C29 | C30 | H44 | 90.0° | 0.0° |
| C29 | C30 | C31 | H44 | 90.0° | 179.9° |
| C29 | C30 | C31 | C32 | 90.0° | 180.0° |
| C30 | C29 | C28 | H42 | 90.0° | 2.4° |
| C29 | C30 | C31 | H45 | 90.0° | 0.1° |
| C30 | C31 | C32 | H45 | 90.0° | 179.9° |
| C30 | C31 | C32 | C33 | 90.0° | 177.1° |
| C31 | C30 | C29 | H43 | 90.0° | 0.0° |
| C30 | C31 | C32 | H46 | 90.0° | 2.8° |
| C31 | C32 | C33 | H46 | 90.0° | 179.9° |
| C31 | C32 | C33 | C36 | 90.0° | 179.0° |
| C31 | C32 | C33 | N3 | 90.0° | 0.8° |
| C32 | C31 | C30 | H44 | 90.0° | 0.1° |
| C32 | C33 | C36 | N3 | 90.0° | 179.8° |
| C32 | C33 | C36 | C37 | 90.0° | 180.0° |
| C32 | C33 | N3 | C38 | 90.0° | 179.8° |
| C32 | C33 | N3 | C40 | 90.0° | 0.2° |
| C32 | C33 | C36 | C41 | 90.0° | 61.3° |
| C32 | C33 | C36 | C42 | 90.0° | 61.3° |
| C33 | C32 | C31 | H45 | 90.0° | 3.0° |
| C22 | C34 | H47 | H48 | 90.0° | 120.0° |
| C22 | C34 | H47 | H49 | 90.0° | 120.0° |
| C22 | C34 | H48 | H49 | 90.0° | 120.0° |
| C34 | C22 | C35 | H50 | 90.0° | 176.9° |
| C34 | C22 | C35 | H51 | 90.0° | 56.9° |
| C34 | C22 | C35 | H52 | 90.0° | 63.1° |
| C35 | C22 | C34 | H47 | 90.0° | 63.1° |
| C35 | C22 | C34 | H48 | 90.0° | 57.0° |
| C35 | C22 | C34 | H49 | 90.0° | 176.9° |
| C22 | C35 | H50 | H51 | 90.0° | 120.0° |
| C22 | C35 | H50 | H52 | 90.0° | 120.0° |
| C22 | C35 | H51 | H52 | 90.0° | 120.0° |
| C33 | C36 | C37 | C41 | 90.0° | 118.7° |
| C33 | C36 | C37 | C42 | 90.0° | 118.7° |
| C33 | C36 | C37 | C38 | 90.0° | 0.0° |
| C36 | C33 | N3 | C38 | 90.0° | 0.4° |
| C36 | C33 | N3 | C40 | 90.0° | 180.0° |
| C33 | C36 | C41 | C42 | 90.0° | 122.6° |
| C33 | C36 | C37 | C45 | 90.0° | 180.0° |
| C36 | C33 | C32 | H46 | 90.0° | 0.9° |
| C33 | C36 | C41 | H56 | 90.0° | 60.0° |
| C33 | C36 | C41 | H57 | 90.0° | 180.0° |
| C33 | C36 | C41 | H58 | 90.0° | 60.0° |
| C33 | C36 | C42 | H59 | 90.0° | 60.0° |
| C33 | C36 | C42 | H60 | 90.0° | 180.0° |
| C33 | C36 | C42 | H61 | 90.0° | 59.9° |
| C36 | C37 | C38 | C45 | 90.0° | 180.0° |
| C36 | C37 | C38 | N3 | 90.0° | 0.2° |
| C37 | C36 | C33 | N3 | 90.0° | 0.2° |
| C37 | C36 | C41 | C42 | 90.0° | 122.6° |
| C36 | C37 | C38 | C39 | 90.0° | 180.0° |
| C36 | C37 | C45 | C44 | 90.0° | 180.0° |
| C37 | C36 | C41 | H56 | 90.0° | 174.8° |
| C37 | C36 | C41 | H57 | 90.0° | 65.2° |
| C37 | C36 | C41 | H58 | 90.0° | 54.8° |
| C37 | C36 | C42 | H59 | 90.0° | 54.8° |
| C37 | C36 | C42 | H60 | 90.0° | 65.2° |
| C37 | C36 | C42 | H61 | 90.0° | 174.7° |
| C36 | C37 | C45 | H65 | 90.0° | 0.0° |
| C37 | C38 | N3 | C39 | 90.0° | 179.8° |
| C37 | C38 | N3 | C33 | 90.0° | 0.4° |
| C37 | C38 | N3 | C40 | 90.0° | 180.0° |
| C38 | C37 | C36 | C41 | 90.0° | 118.7° |
| C38 | C37 | C36 | C42 | 90.0° | 118.7° |
| C37 | C38 | C39 | C43 | 90.0° | 0.0° |
| C38 | C37 | C45 | C44 | 90.0° | 0.0° |
| C37 | C38 | C39 | H62 | 90.0° | 180.0° |
| C38 | C37 | C45 | H65 | 90.0° | 179.9° |
| C38 | N3 | C33 | C40 | 90.0° | 179.6° |
| N3 | C38 | C39 | C43 | 90.0° | 179.7° |
| N3 | C38 | C37 | C45 | 90.0° | 179.8° |
| C38 | N3 | C40 | H53 | 90.0° | 0.3° |
| C38 | N3 | C40 | H54 | 90.0° | 119.6° |
| C38 | N3 | C40 | H55 | 90.0° | 120.4° |
| N3 | C38 | C39 | H62 | 90.0° | 0.3° |
| N3 | C33 | C36 | C41 | 90.0° | 118.9° |
| N3 | C33 | C36 | C42 | 90.0° | 118.5° |
| C33 | N3 | C38 | C39 | 90.0° | 179.8° |
| N3 | C33 | C32 | H46 | 90.0° | 179.3° |
| C33 | N3 | C40 | H53 | 90.0° | 179.2° |
| C33 | N3 | C40 | H54 | 90.0° | 60.9° |
| C33 | N3 | C40 | H55 | 90.0° | 59.1° |
| C40 | N3 | C38 | C39 | 90.0° | 0.3° |
| N3 | C40 | H53 | H54 | 90.0° | 120.0° |
| N3 | C40 | H53 | H55 | 90.0° | 120.1° |
| N3 | C40 | H54 | H55 | 90.0° | 120.1° |
| C41 | C36 | C37 | C45 | 90.0° | 61.3° |
| C36 | C41 | H56 | H57 | 90.0° | 120.1° |
| C36 | C41 | H56 | H58 | 90.0° | 120.0° |
| C36 | C41 | H57 | H58 | 90.0° | 120.0° |
| C41 | C36 | C42 | H59 | 90.0° | 177.4° |
| C41 | C36 | C42 | H60 | 90.0° | 57.4° |
| C41 | C36 | C42 | H61 | 90.0° | 62.7° |
| C42 | C36 | C37 | C45 | 90.0° | 61.3° |
| C42 | C36 | C41 | H56 | 90.0° | 62.6° |
| C42 | C36 | C41 | H57 | 90.0° | 57.4° |
| C42 | C36 | C41 | H58 | 90.0° | 177.4° |
| C36 | C42 | H59 | H60 | 90.0° | 120.0° |
| C36 | C42 | H59 | H61 | 90.0° | 120.0° |
| C36 | C42 | H60 | H61 | 90.0° | 120.1° |
| C38 | C39 | C43 | H62 | 90.0° | 180.0° |
| C38 | C39 | C43 | C44 | 90.0° | 0.0° |
| C39 | C38 | C37 | C45 | 90.0° | 0.0° |
| C38 | C39 | C43 | H63 | 90.0° | 180.0° |
| C39 | C43 | C44 | H63 | 90.0° | 180.0° |
| C39 | C43 | C44 | C45 | 90.0° | 0.0° |
| C39 | C43 | C44 | H64 | 90.0° | 179.9° |
| C43 | C44 | C45 | H64 | 90.0° | 179.9° |
| C43 | C44 | C45 | C37 | 90.0° | 0.0° |
| C44 | C43 | C39 | H62 | 90.0° | 180.0° |
| C43 | C44 | C45 | H65 | 90.0° | 180.0° |
| C44 | C45 | C37 | H65 | 90.0° | 179.9° |
| C45 | C44 | C43 | H63 | 90.0° | 180.0° |
| C37 | C45 | C44 | H64 | 90.0° | 179.9° |
| H38 | C20 | C25 | H39 | 90.0° | 0.0° |
| H39 | C25 | C26 | H40 | 90.0° | 0.1° |
| H40 | C26 | C27 | H41 | 90.0° | 0.2° |
| H42 | C28 | C29 | H43 | 90.0° | 177.6° |
| H43 | C29 | C30 | H44 | 90.0° | 180.0° |
| H44 | C30 | C31 | H45 | 90.0° | 180.0° |
| H45 | C31 | C32 | H46 | 90.0° | 177.1° |
| H47 | C34 | H48 | H49 | 90.0° | 120.0° |
| H50 | C35 | H51 | H52 | 90.0° | 120.1° |
| H53 | C40 | H54 | H55 | 90.0° | 120.0° |
| H56 | C41 | H57 | H58 | 90.0° | 119.9° |
| H59 | C42 | H60 | H61 | 90.0° | 119.9° |
| H62 | C39 | C43 | H63 | 90.0° | 0.0° |
| H63 | C43 | C44 | H64 | 90.0° | 0.1° |
| H64 | C44 | C45 | H65 | 90.0° | 0.1° |
