PRD_002417
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.49Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.25Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.49Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | N3 | sing | 1.46Å | 1.45Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.37Å | 1.32Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | N4 | sing | 1.33Å | 1.32Å | |
| C13 | N5 | doub | 1.33Å | 1.32Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | C14 | sing | 1.47Å | 1.48Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.25Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | N7 | sing | 1.34Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.35Å | Aromatic |
| N7 | C19 | doub | 1.30Å | 1.32Å | Aromatic |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| C18 | N8 | sing | 1.37Å | 1.36Å | Aromatic |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C34 | sing | 1.51Å | 1.54Å | |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | O5 | sing | 1.36Å | 1.41Å | |
| O5 | C24 | sing | 1.43Å | 1.41Å | |
| N10 | C39 | sing | 1.46Å | 1.46Å | |
| O6 | C37 | doub | 1.21Å | 1.26Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| O7 | C38 | sing | 1.43Å | 1.43Å | |
| C37 | C38 | sing | 1.51Å | 1.58Å | |
| C37 | N9 | sing | 1.35Å | 1.35Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C39 | C20 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.56Å | |
| C22 | N9 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C40 | sing | 1.51Å | 1.52Å | |
| C41 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N9 | H34 | sing | 0.97Å | 1.00Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.08Å | 1.08Å | |
| C26 | H46 | sing | 1.08Å | 1.08Å | |
| C28 | H47 | sing | 1.08Å | 1.08Å | |
| C29 | H48 | sing | 1.08Å | 1.08Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.08Å | 1.08Å | |
| C36 | H59 | sing | 1.08Å | 1.08Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| O7 | H61 | sing | 0.97Å | 0.95Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| N10 | H63 | sing | 0.97Å | 1.00Å | |
| C41 | H64 | sing | 1.08Å | 1.08Å | |
| C42 | H65 | sing | 1.08Å | 1.08Å | |
| C43 | H66 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | N6 | sing | 1.35Å | 1.33Å | |
| C15 | N10 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.9° | 120.0° |
| O1 | C1 | N1 | 123.3° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 117.7° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.4° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 118.5° | 120.0° |
| N1 | C3 | C4 | 108.1° | 109.5° |
| N1 | C3 | C5 | 111.2° | 109.5° |
| N1 | C3 | H5 | 108.7° | 109.4° |
| C3 | N1 | C1 | 123.1° | 120.0° |
| H4 | N1 | C1 | 118.5° | 120.0° |
| C4 | C3 | C5 | 112.4° | 109.5° |
| C4 | C3 | H5 | 108.2° | 109.5° |
| C3 | C4 | O2 | 118.0° | 120.0° |
| C3 | C4 | N2 | 117.9° | 120.0° |
| C5 | C3 | H5 | 108.1° | 109.5° |
| C3 | C5 | C6 | 111.5° | 109.5° |
| C3 | C5 | C7 | 111.7° | 109.5° |
| C3 | C5 | H6 | 107.7° | 109.4° |
| O2 | C4 | N2 | 124.1° | 120.0° |
| C6 | C5 | C7 | 110.1° | 109.5° |
| C6 | C5 | H6 | 107.9° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 107.9° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.4° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.4° | 109.5° |
| H7 | C6 | H9 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H12 | 109.4° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C8 | N2 | H13 | 118.2° | 120.0° |
| N2 | C8 | C9 | 109.0° | 109.5° |
| N2 | C8 | C10 | 110.9° | 109.5° |
| N2 | C8 | H14 | 107.9° | 109.5° |
| C8 | N2 | C4 | 123.6° | 120.0° |
| H13 | N2 | C4 | 118.2° | 120.0° |
| C9 | C8 | C10 | 113.9° | 109.5° |
| C9 | C8 | H14 | 107.4° | 109.5° |
| C8 | C9 | O3 | 118.9° | 120.0° |
| C8 | C9 | N6 | 116.4° | 120.0° |
| C10 | C8 | H14 | 107.5° | 109.4° |
| C8 | C10 | C11 | 111.6° | 109.5° |
| C8 | C10 | H15 | 108.9° | 109.5° |
| C8 | C10 | H16 | 109.0° | 109.4° |
| O3 | C9 | N6 | 124.7° | 120.0° |
| C11 | C10 | H15 | 109.0° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C10 | C11 | C12 | 116.0° | 109.5° |
| C10 | C11 | H17 | 107.8° | 109.4° |
| C10 | C11 | H18 | 107.8° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.4° |
| C12 | C11 | H17 | 107.8° | 109.5° |
| C12 | C11 | H18 | 107.8° | 109.5° |
| C11 | C12 | N3 | 110.8° | 109.5° |
| C11 | C12 | H19 | 109.1° | 109.5° |
| C11 | C12 | H20 | 109.2° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| N3 | C12 | H19 | 109.2° | 109.5° |
| N3 | C12 | H20 | 109.2° | 109.5° |
| C12 | N3 | C13 | 125.1° | 120.0° |
| C12 | N3 | H21 | 117.5° | 120.0° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| C13 | N3 | H21 | 117.5° | 120.0° |
| N3 | C13 | N4 | 120.3° | 120.0° |
| N3 | C13 | N5 | 119.5° | 120.0° |
| N4 | C13 | N5 | 120.2° | 120.0° |
| C13 | N4 | H22 | 120.0° | 120.0° |
| C13 | N4 | H23 | 120.0° | 120.0° |
| C13 | N5 | H24 | 120.0° | 120.0° |
| C13 | N5 | H25 | 120.0° | 120.0° |
| H22 | N4 | H23 | 120.0° | 120.0° |
| H24 | N5 | H25 | 120.0° | 120.0° |
| C14 | N6 | H26 | 117.4° | 120.0° |
| N6 | C14 | C15 | 106.1° | 109.4° |
| N6 | C14 | C16 | 109.2° | 109.5° |
| N6 | C14 | H27 | 109.9° | 109.5° |
| C14 | N6 | C9 | 125.3° | 120.0° |
| H26 | N6 | C9 | 117.3° | 120.0° |
| C15 | C14 | C16 | 113.2° | 109.5° |
| C15 | C14 | H27 | 109.1° | 109.5° |
| C14 | C15 | O4 | 121.6° | 120.0° |
| C14 | C15 | N10 | 114.5° | 120.0° |
| C16 | C14 | H27 | 109.2° | 109.5° |
| C14 | C16 | C17 | 115.2° | 109.4° |
| C14 | C16 | H28 | 108.0° | 109.5° |
| C14 | C16 | H29 | 108.0° | 109.5° |
| O4 | C15 | N10 | 123.8° | 120.0° |
| C17 | C16 | H28 | 108.0° | 109.5° |
| C17 | C16 | H29 | 108.0° | 109.5° |
| C16 | C17 | N7 | 122.5° | 126.0° |
| C16 | C17 | C18 | 131.2° | 126.0° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| N7 | C17 | C18 | 106.1° | 108.1° |
| C17 | N7 | C19 | 109.3° | 109.2° |
| C17 | N7 | H30 | 125.4° | 125.4° |
| C17 | C18 | N8 | 107.7° | 106.8° |
| C17 | C18 | H31 | 126.2° | 126.6° |
| C19 | N7 | H30 | 125.4° | 125.4° |
| N7 | C19 | N8 | 108.2° | 108.7° |
| N7 | C19 | H32 | 125.9° | 125.6° |
| N8 | C18 | H31 | 126.1° | 126.6° |
| C18 | N8 | C19 | 108.7° | 107.2° |
| C18 | N8 | H33 | 125.7° | 126.4° |
| N8 | C19 | H32 | 125.9° | 125.6° |
| C19 | N8 | H33 | 125.6° | 126.4° |
| C32 | C33 | C31 | 109.6° | 109.5° |
| C33 | C32 | H53 | 109.5° | 109.4° |
| C33 | C32 | H54 | 109.4° | 109.5° |
| C33 | C32 | H55 | 109.5° | 109.5° |
| C32 | C33 | H56 | 109.4° | 109.5° |
| C32 | C33 | H57 | 109.4° | 109.5° |
| C33 | C31 | C30 | 111.3° | 109.5° |
| C33 | C31 | H51 | 109.0° | 109.5° |
| C33 | C31 | H52 | 109.0° | 109.5° |
| C31 | C33 | H56 | 109.4° | 109.4° |
| C31 | C33 | H57 | 109.4° | 109.4° |
| C31 | C30 | C34 | 112.6° | 109.5° |
| C31 | C30 | H49 | 108.7° | 109.4° |
| C31 | C30 | H50 | 108.7° | 109.4° |
| C30 | C31 | H51 | 109.0° | 109.4° |
| C30 | C31 | H52 | 109.0° | 109.5° |
| C30 | C34 | C35 | 120.9° | 119.9° |
| C30 | C34 | C28 | 120.5° | 120.0° |
| C34 | C30 | H49 | 108.7° | 109.5° |
| C34 | C30 | H50 | 108.7° | 109.5° |
| C34 | C35 | C29 | 121.6° | 120.0° |
| C35 | C34 | C28 | 118.6° | 120.1° |
| C34 | C35 | H58 | 119.2° | 120.0° |
| C35 | C29 | C27 | 119.5° | 120.0° |
| C35 | C29 | H48 | 120.3° | 120.0° |
| C29 | C35 | H58 | 119.2° | 120.0° |
| C34 | C28 | C36 | 120.1° | 120.1° |
| C34 | C28 | H47 | 120.0° | 119.9° |
| C29 | C27 | C36 | 119.1° | 119.9° |
| C29 | C27 | O5 | 118.1° | 120.0° |
| C27 | C29 | H48 | 120.2° | 120.0° |
| C28 | C36 | C27 | 121.1° | 120.0° |
| C36 | C28 | H47 | 120.0° | 120.0° |
| C28 | C36 | H59 | 119.4° | 120.0° |
| C36 | C27 | O5 | 122.8° | 120.1° |
| C27 | C36 | H59 | 119.5° | 120.1° |
| C27 | O5 | C24 | 118.2° | 117.0° |
| O5 | C24 | C23 | 108.4° | 109.5° |
| O5 | C24 | H43 | 109.7° | 109.5° |
| O5 | C24 | H44 | 109.7° | 109.5° |
| N10 | C39 | C20 | 110.3° | 109.5° |
| N10 | C39 | C38 | 108.4° | 109.5° |
| N10 | C39 | H62 | 109.5° | 109.4° |
| C39 | N10 | H63 | 118.4° | 120.0° |
| C39 | N10 | C15 | 123.1° | 120.0° |
| O6 | C37 | C38 | 118.4° | 120.0° |
| O6 | C37 | N9 | 124.7° | 120.0° |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C24 | C23 | H41 | 108.9° | 109.5° |
| C24 | C23 | H42 | 108.9° | 109.5° |
| C23 | C24 | H43 | 109.8° | 109.4° |
| C23 | C24 | H44 | 109.7° | 109.4° |
| O7 | C38 | C37 | 105.9° | 109.5° |
| O7 | C38 | C39 | 108.4° | 109.5° |
| O7 | C38 | H60 | 110.7° | 109.6° |
| C38 | O7 | H61 | 109.5° | 114.0° |
| C38 | C37 | N9 | 116.8° | 120.0° |
| C37 | C38 | C39 | 114.1° | 109.4° |
| C37 | C38 | H60 | 108.6° | 109.4° |
| C37 | N9 | C22 | 124.2° | 120.0° |
| C37 | N9 | H34 | 117.9° | 120.0° |
| C23 | C22 | N9 | 108.9° | 109.5° |
| C23 | C22 | C21 | 110.4° | 109.5° |
| C23 | C22 | H40 | 108.5° | 109.4° |
| C22 | C23 | H41 | 108.9° | 109.4° |
| C22 | C23 | H42 | 109.0° | 109.4° |
| C20 | C39 | C38 | 111.8° | 109.5° |
| C39 | C20 | H35 | 109.5° | 109.5° |
| C39 | C20 | H36 | 109.5° | 109.5° |
| C39 | C20 | H37 | 109.4° | 109.4° |
| C20 | C39 | H62 | 108.4° | 109.4° |
| C39 | C38 | H60 | 109.0° | 109.4° |
| C38 | C39 | H62 | 108.3° | 109.5° |
| N9 | C22 | C21 | 111.5° | 109.5° |
| C22 | N9 | H34 | 117.9° | 120.0° |
| N9 | C22 | H40 | 108.9° | 109.5° |
| C22 | C21 | C40 | 114.9° | 109.5° |
| C22 | C21 | H38 | 108.1° | 109.5° |
| C22 | C21 | H39 | 108.1° | 109.4° |
| C21 | C22 | H40 | 108.5° | 109.5° |
| C41 | C25 | C40 | 119.5° | 120.0° |
| C25 | C41 | C42 | 119.7° | 120.0° |
| C41 | C25 | H45 | 120.2° | 120.0° |
| C25 | C41 | H64 | 120.1° | 120.0° |
| C25 | C40 | C21 | 120.8° | 120.0° |
| C25 | C40 | C43 | 120.8° | 120.0° |
| C40 | C25 | H45 | 120.2° | 120.0° |
| C21 | C40 | C43 | 118.3° | 120.0° |
| C40 | C21 | H38 | 108.1° | 109.4° |
| C40 | C21 | H39 | 108.1° | 109.4° |
| C41 | C42 | C26 | 121.0° | 120.0° |
| C42 | C41 | H64 | 120.2° | 120.0° |
| C41 | C42 | H65 | 119.5° | 120.0° |
| C40 | C43 | C26 | 119.7° | 120.0° |
| C40 | C43 | H66 | 120.2° | 120.0° |
| C42 | C26 | C43 | 119.2° | 120.0° |
| C42 | C26 | H46 | 120.4° | 120.0° |
| C26 | C42 | H65 | 119.5° | 120.0° |
| C43 | C26 | H46 | 120.4° | 120.0° |
| C26 | C43 | H66 | 120.1° | 120.0° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| H43 | C24 | H44 | 109.4° | 109.5° |
| H49 | C30 | H50 | 109.5° | 109.5° |
| H51 | C31 | H52 | 109.5° | 109.4° |
| H53 | C32 | H54 | 109.5° | 109.4° |
| H53 | C32 | H55 | 109.5° | 109.4° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.4° | 109.5° |
| H63 | N10 | C15 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.8° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 0.5° | 0.0° |
| O1 | C1 | N1 | H4 | 179.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.1° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 179.3° | 179.7° |
| C2 | C1 | N1 | H4 | 0.7° | 0.3° |
| H1 | C2 | H2 | H3 | 119.9° | 120.0° |
| H1 | C2 | C1 | N1 | 179.8° | 179.8° |
| H2 | C2 | C1 | N1 | 59.8° | 59.7° |
| H3 | C2 | C1 | N1 | 60.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 123.2° | 120.0° |
| N1 | C3 | C4 | H5 | 117.6° | 120.0° |
| N1 | C3 | C5 | H5 | 119.3° | 120.0° |
| N1 | C3 | C4 | O2 | 29.9° | 19.5° |
| N1 | C3 | C5 | C6 | 162.0° | 64.2° |
| N1 | C3 | C5 | C7 | 74.3° | 55.8° |
| N1 | C3 | C5 | H6 | 43.9° | 175.8° |
| N1 | C3 | C4 | N2 | 148.3° | 160.6° |
| H4 | N1 | C3 | C4 | 111.7° | 25.0° |
| H4 | N1 | C3 | C5 | 12.2° | 95.0° |
| H4 | N1 | C3 | H5 | 131.1° | 145.0° |
| C4 | C3 | C5 | H5 | 119.3° | 120.0° |
| C3 | C4 | O2 | N2 | 178.1° | 180.0° |
| C4 | C3 | C5 | C6 | 76.6° | 175.8° |
| C4 | C3 | C5 | C7 | 47.0° | 64.1° |
| C4 | C3 | C5 | H6 | 165.3° | 55.8° |
| C3 | C4 | N2 | C8 | 179.3° | 175.7° |
| C3 | C4 | N2 | H13 | 0.7° | 4.3° |
| C4 | C3 | N1 | C1 | 68.3° | 155.0° |
| C5 | C3 | C4 | O2 | 93.2° | 100.5° |
| C3 | C5 | C6 | C7 | 124.6° | 120.0° |
| C3 | C5 | C6 | H6 | 118.0° | 120.0° |
| C3 | C5 | C7 | H6 | 118.1° | 119.9° |
| C3 | C5 | C6 | H7 | 180.0° | 65.9° |
| C3 | C5 | C6 | H8 | 60.0° | 174.1° |
| C3 | C5 | C6 | H9 | 60.0° | 54.0° |
| C3 | C5 | C7 | H10 | 180.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 180.0° |
| C3 | C5 | C7 | H12 | 60.0° | 60.1° |
| C5 | C3 | N1 | C1 | 167.8° | 85.0° |
| C5 | C3 | C4 | N2 | 88.6° | 79.5° |
| H5 | C3 | C4 | O2 | 147.5° | 139.4° |
| H5 | C3 | C5 | C6 | 42.7° | 55.8° |
| H5 | C3 | C5 | C7 | 166.3° | 175.8° |
| H5 | C3 | C5 | H6 | 75.4° | 64.2° |
| H5 | C3 | N1 | C1 | 48.9° | 35.0° |
| H5 | C3 | C4 | N2 | 30.7° | 40.6° |
| O2 | C4 | N2 | C8 | 2.6° | 4.4° |
| O2 | C4 | N2 | H13 | 177.4° | 175.6° |
| C6 | C5 | C7 | H6 | 117.5° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 55.6° | 180.0° |
| C6 | C5 | C7 | H11 | 175.6° | 60.0° |
| C6 | C5 | C7 | H12 | 64.4° | 60.0° |
| C7 | C5 | C6 | H7 | 55.4° | 54.1° |
| C7 | C5 | C6 | H8 | 64.6° | 65.9° |
| C7 | C5 | C6 | H9 | 175.4° | 174.0° |
| C5 | C7 | H10 | H11 | 120.0° | 119.9° |
| C5 | C7 | H10 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H12 | 120.0° | 119.9° |
| H6 | C5 | C6 | H7 | 62.0° | 174.1° |
| H6 | C5 | C6 | H8 | 178.0° | 54.1° |
| H6 | C5 | C6 | H9 | 58.0° | 66.0° |
| H6 | C5 | C7 | H10 | 61.9° | 60.0° |
| H6 | C5 | C7 | H11 | 58.1° | 60.0° |
| H6 | C5 | C7 | H12 | 178.1° | 180.0° |
| H7 | C6 | H8 | H9 | 119.9° | 120.0° |
| H10 | C7 | H11 | H12 | 120.0° | 120.1° |
| C8 | N2 | H13 | C4 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 124.4° | 120.0° |
| N2 | C8 | C9 | H14 | 116.7° | 120.0° |
| N2 | C8 | C10 | H14 | 117.8° | 120.0° |
| N2 | C8 | C9 | O3 | 47.3° | 0.0° |
| N2 | C8 | C10 | C11 | 57.6° | 65.0° |
| N2 | C8 | C10 | H15 | 62.7° | 55.0° |
| N2 | C8 | C10 | H16 | 177.9° | 175.0° |
| N2 | C8 | C9 | N6 | 130.6° | 180.0° |
| H13 | N2 | C8 | C9 | 76.2° | 25.0° |
| H13 | N2 | C8 | C10 | 50.0° | 95.0° |
| H13 | N2 | C8 | H14 | 167.4° | 145.1° |
| C9 | C8 | C10 | H14 | 118.9° | 120.0° |
| C8 | C9 | O3 | N6 | 177.7° | 179.9° |
| C9 | C8 | C10 | C11 | 179.0° | 175.0° |
| C9 | C8 | C10 | H15 | 60.6° | 65.0° |
| C9 | C8 | C10 | H16 | 58.7° | 55.0° |
| C8 | C9 | N6 | C14 | 174.8° | 180.0° |
| C8 | C9 | N6 | H26 | 5.2° | 0.1° |
| C9 | C8 | N2 | C4 | 103.8° | 155.0° |
| C10 | C8 | C9 | O3 | 77.1° | 120.0° |
| C8 | C10 | C11 | H15 | 120.3° | 120.0° |
| C8 | C10 | C11 | H16 | 120.3° | 120.0° |
| C8 | C10 | H15 | H16 | 119.0° | 120.0° |
| C8 | C10 | C11 | C12 | 152.3° | 180.0° |
| C8 | C10 | C11 | H17 | 31.3° | 60.0° |
| C8 | C10 | C11 | H18 | 86.8° | 60.0° |
| C10 | C8 | N2 | C4 | 130.0° | 85.0° |
| C10 | C8 | C9 | N6 | 105.0° | 60.0° |
| H14 | C8 | C9 | O3 | 164.0° | 120.1° |
| H14 | C8 | C10 | C11 | 60.2° | 55.0° |
| H14 | C8 | C10 | H15 | 179.5° | 175.0° |
| H14 | C8 | C10 | H16 | 60.2° | 65.0° |
| H14 | C8 | N2 | C4 | 12.5° | 34.9° |
| H14 | C8 | C9 | N6 | 13.9° | 60.0° |
| O3 | C9 | N6 | C14 | 2.9° | 0.1° |
| O3 | C9 | N6 | H26 | 177.1° | 180.0° |
| C11 | C10 | H15 | H16 | 119.0° | 120.0° |
| C10 | C11 | C12 | H17 | 121.0° | 120.0° |
| C10 | C11 | C12 | H18 | 120.9° | 120.0° |
| C10 | C11 | H17 | H18 | 117.0° | 120.0° |
| C10 | C11 | C12 | N3 | 83.9° | 180.0° |
| C10 | C11 | C12 | H19 | 155.9° | 60.0° |
| C10 | C11 | C12 | H20 | 36.3° | 60.0° |
| H15 | C10 | C11 | C12 | 87.4° | 60.0° |
| H15 | C10 | C11 | H17 | 151.6° | 180.0° |
| H15 | C10 | C11 | H18 | 33.5° | 60.0° |
| H16 | C10 | C11 | C12 | 32.0° | 60.0° |
| H16 | C10 | C11 | H17 | 89.0° | 60.0° |
| H16 | C10 | C11 | H18 | 152.9° | 180.0° |
| C12 | C11 | H17 | H18 | 117.0° | 120.0° |
| C11 | C12 | N3 | H19 | 120.2° | 120.0° |
| C11 | C12 | N3 | H20 | 120.2° | 120.0° |
| C11 | C12 | H19 | H20 | 119.4° | 119.9° |
| C11 | C12 | N3 | C13 | 130.5° | 180.0° |
| C11 | C12 | N3 | H21 | 49.5° | 0.1° |
| H17 | C11 | C12 | N3 | 37.1° | 60.0° |
| H17 | C11 | C12 | H19 | 83.1° | 179.9° |
| H17 | C11 | C12 | H20 | 157.3° | 60.0° |
| H18 | C11 | C12 | N3 | 155.2° | 60.0° |
| H18 | C11 | C12 | H19 | 35.0° | 60.1° |
| H18 | C11 | C12 | H20 | 84.6° | 180.0° |
| N3 | C12 | H19 | H20 | 119.4° | 120.0° |
| C12 | N3 | C13 | H21 | 180.0° | 179.9° |
| C12 | N3 | C13 | N4 | 1.0° | 0.1° |
| C12 | N3 | C13 | N5 | 178.4° | 180.0° |
| H19 | C12 | N3 | C13 | 10.4° | 60.0° |
| H19 | C12 | N3 | H21 | 169.7° | 120.1° |
| H20 | C12 | N3 | C13 | 109.3° | 60.0° |
| H20 | C12 | N3 | H21 | 70.7° | 120.0° |
| N3 | C13 | N4 | N5 | 179.4° | 179.9° |
| N3 | C13 | N4 | H22 | 179.4° | 0.1° |
| N3 | C13 | N4 | H23 | 0.6° | 180.0° |
| N3 | C13 | N5 | H24 | 179.3° | 0.0° |
| N3 | C13 | N5 | H25 | 0.6° | 180.0° |
| H21 | N3 | C13 | N4 | 179.0° | 180.0° |
| H21 | N3 | C13 | N5 | 1.6° | 0.1° |
| C13 | N4 | H22 | H23 | 180.0° | 179.9° |
| N4 | C13 | N5 | H24 | 0.0° | 179.9° |
| N4 | C13 | N5 | H25 | 180.0° | 0.0° |
| N5 | C13 | N4 | H22 | 0.0° | 179.9° |
| N5 | C13 | N4 | H23 | 180.0° | 0.1° |
| C13 | N5 | H24 | H25 | 180.0° | 180.0° |
| C14 | N6 | H26 | C9 | 180.0° | 179.9° |
| N6 | C14 | C15 | C16 | 119.7° | 120.0° |
| N6 | C14 | C15 | H27 | 118.4° | 120.0° |
| N6 | C14 | C16 | H27 | 120.2° | 120.0° |
| N6 | C14 | C15 | O4 | 57.1° | 0.0° |
| N6 | C14 | C16 | C17 | 56.5° | 65.0° |
| N6 | C14 | C16 | H28 | 64.4° | 55.0° |
| N6 | C14 | C16 | H29 | 177.3° | 175.0° |
| N6 | C14 | C15 | N10 | 120.1° | 180.0° |
| H26 | N6 | C14 | C15 | 86.8° | 25.0° |
| H26 | N6 | C14 | C16 | 35.6° | 95.0° |
| H26 | N6 | C14 | H27 | 155.4° | 145.0° |
| C15 | C14 | C16 | H27 | 121.8° | 120.0° |
| C14 | C15 | O4 | N10 | 176.9° | 180.0° |
| C15 | C14 | C16 | C17 | 174.4° | 175.0° |
| C15 | C14 | C16 | H28 | 53.6° | 65.0° |
| C15 | C14 | C16 | H29 | 64.7° | 55.0° |
| C14 | C15 | N10 | C39 | 179.4° | 180.0° |
| C14 | C15 | N10 | H63 | 0.5° | 0.0° |
| C15 | C14 | N6 | C9 | 93.2° | 155.0° |
| C16 | C14 | C15 | O4 | 62.6° | 120.0° |
| C14 | C16 | C17 | H28 | 120.9° | 120.0° |
| C14 | C16 | C17 | H29 | 120.8° | 120.0° |
| C14 | C16 | H28 | H29 | 117.3° | 120.0° |
| C14 | C16 | C17 | N7 | 87.2° | 95.0° |
| C14 | C16 | C17 | C18 | 97.1° | 85.3° |
| C16 | C14 | N6 | C9 | 144.5° | 85.0° |
| C16 | C14 | C15 | N10 | 120.2° | 60.0° |
| H27 | C14 | C15 | O4 | 175.5° | 120.0° |
| H27 | C14 | C16 | C17 | 63.7° | 55.0° |
| H27 | C14 | C16 | H28 | 175.4° | 175.0° |
| H27 | C14 | C16 | H29 | 57.1° | 65.0° |
| H27 | C14 | N6 | C9 | 24.7° | 35.0° |
| H27 | C14 | C15 | N10 | 1.7° | 60.0° |
| O4 | C15 | N10 | C39 | 2.3° | 0.0° |
| O4 | C15 | N10 | H63 | 177.7° | 180.0° |
| C17 | C16 | H28 | H29 | 117.4° | 120.0° |
| C16 | C17 | N7 | C18 | 176.6° | 179.7° |
| C16 | C17 | N7 | C19 | 178.7° | 180.0° |
| C16 | C17 | N7 | H30 | 1.3° | 0.1° |
| C16 | C17 | C18 | N8 | 177.6° | 179.9° |
| C16 | C17 | C18 | H31 | 2.4° | 0.1° |
| H28 | C16 | C17 | N7 | 33.6° | 24.9° |
| H28 | C16 | C17 | C18 | 142.0° | 154.7° |
| H29 | C16 | C17 | N7 | 151.9° | 145.0° |
| H29 | C16 | C17 | C18 | 23.7° | 34.6° |
| C17 | N7 | C19 | H30 | 180.0° | 179.9° |
| N7 | C17 | C18 | N8 | 1.4° | 0.2° |
| N7 | C17 | C18 | H31 | 178.6° | 179.6° |
| C17 | N7 | C19 | N8 | 1.9° | 0.2° |
| C17 | N7 | C19 | H32 | 178.1° | 180.0° |
| C18 | C17 | N7 | C19 | 2.1° | 0.3° |
| C18 | C17 | N7 | H30 | 177.9° | 179.8° |
| C17 | C18 | N8 | H31 | 180.0° | 179.9° |
| C17 | C18 | N8 | C19 | 0.2° | 0.1° |
| C17 | C18 | N8 | H33 | 179.7° | 180.0° |
| N7 | C19 | N8 | C18 | 1.1° | 0.0° |
| N7 | C19 | N8 | H32 | 180.0° | 179.8° |
| N7 | C19 | N8 | H33 | 179.0° | 179.8° |
| H30 | N7 | C19 | N8 | 178.1° | 179.9° |
| H30 | N7 | C19 | H32 | 1.9° | 0.1° |
| C18 | N8 | C19 | H33 | 180.0° | 179.9° |
| C18 | N8 | C19 | H32 | 179.0° | 179.9° |
| H31 | C18 | N8 | C19 | 179.7° | 179.7° |
| H31 | C18 | N8 | H33 | 0.3° | 0.1° |
| H32 | C19 | N8 | H33 | 1.0° | 0.0° |
| C32 | C33 | C31 | H56 | 120.0° | 120.0° |
| C32 | C33 | C31 | H57 | 120.0° | 120.1° |
| C32 | C33 | C31 | C30 | 164.5° | 180.0° |
| C32 | C33 | C31 | H51 | 44.2° | 60.1° |
| C32 | C33 | C31 | H52 | 75.2° | 59.9° |
| C33 | C32 | H53 | H54 | 120.0° | 120.0° |
| C33 | C32 | H53 | H55 | 120.0° | 120.0° |
| C33 | C32 | H54 | H55 | 120.0° | 120.1° |
| C32 | C33 | H56 | H57 | 119.9° | 120.1° |
| C33 | C31 | C30 | H51 | 120.3° | 120.0° |
| C33 | C31 | C30 | H52 | 120.2° | 120.1° |
| C33 | C31 | C30 | C34 | 88.6° | 180.0° |
| C33 | C31 | C30 | H49 | 150.9° | 59.9° |
| C33 | C31 | C30 | H50 | 31.9° | 60.0° |
| C33 | C31 | H51 | H52 | 119.2° | 120.0° |
| C31 | C33 | C32 | H53 | 180.0° | 180.0° |
| C31 | C33 | C32 | H54 | 60.0° | 60.1° |
| C31 | C33 | C32 | H55 | 60.0° | 60.0° |
| C31 | C33 | H56 | H57 | 119.9° | 119.9° |
| C31 | C30 | C34 | H49 | 120.5° | 120.0° |
| C31 | C30 | C34 | H50 | 120.5° | 120.0° |
| C31 | C30 | C34 | C35 | 124.0° | 89.5° |
| C31 | C30 | C34 | C28 | 55.6° | 90.0° |
| C31 | C30 | H49 | H50 | 118.6° | 119.9° |
| C30 | C31 | H51 | H52 | 119.2° | 120.0° |
| C30 | C31 | C33 | H56 | 75.4° | 60.0° |
| C30 | C31 | C33 | H57 | 44.5° | 59.9° |
| C30 | C34 | C35 | C28 | 179.5° | 179.5° |
| C30 | C34 | C35 | C29 | 179.0° | 179.8° |
| C30 | C34 | C28 | C36 | 178.8° | 180.0° |
| C30 | C34 | C28 | H47 | 1.3° | 0.4° |
| C34 | C30 | H49 | H50 | 118.5° | 120.1° |
| C34 | C30 | C31 | H51 | 31.7° | 60.0° |
| C34 | C30 | C31 | H52 | 151.2° | 60.0° |
| C30 | C34 | C35 | H58 | 1.0° | 0.2° |
| C34 | C35 | C29 | H58 | 180.0° | 179.9° |
| C34 | C35 | C29 | C27 | 0.2° | 0.0° |
| C35 | C34 | C28 | C36 | 0.7° | 0.5° |
| C35 | C34 | C28 | H47 | 179.2° | 180.0° |
| C34 | C35 | C29 | H48 | 179.8° | 179.9° |
| C35 | C34 | C30 | H49 | 115.5° | 150.5° |
| C35 | C34 | C30 | H50 | 3.5° | 30.5° |
| C29 | C35 | C34 | C28 | 0.5° | 0.2° |
| C35 | C29 | C27 | H48 | 180.0° | 179.9° |
| C35 | C29 | C27 | C36 | 0.1° | 0.1° |
| C35 | C29 | C27 | O5 | 179.2° | 179.7° |
| C34 | C28 | C36 | H47 | 180.0° | 179.5° |
| C34 | C28 | C36 | C27 | 0.7° | 0.5° |
| C28 | C34 | C30 | H49 | 64.9° | 29.9° |
| C28 | C34 | C30 | H50 | 176.0° | 150.0° |
| C28 | C34 | C35 | H58 | 179.5° | 179.7° |
| C34 | C28 | C36 | H59 | 179.3° | 179.5° |
| C29 | C27 | C36 | C28 | 0.3° | 0.3° |
| C29 | C27 | C36 | O5 | 179.3° | 179.7° |
| C29 | C27 | O5 | C24 | 155.2° | 0.3° |
| C27 | C29 | C35 | H58 | 179.8° | 179.9° |
| C29 | C27 | C36 | H59 | 179.7° | 179.7° |
| C28 | C36 | C27 | H59 | 180.0° | 180.0° |
| C28 | C36 | C27 | O5 | 179.0° | 180.0° |
| C36 | C27 | O5 | C24 | 25.4° | 180.0° |
| C27 | C36 | C28 | H47 | 179.3° | 180.0° |
| C36 | C27 | C29 | H48 | 179.9° | 180.0° |
| C27 | O5 | C24 | C23 | 167.7° | 180.0° |
| C27 | O5 | C24 | H43 | 72.4° | 60.1° |
| C27 | O5 | C24 | H44 | 47.8° | 60.0° |
| O5 | C27 | C29 | H48 | 0.8° | 0.3° |
| O5 | C27 | C36 | H59 | 1.0° | 0.1° |
| O5 | C24 | C23 | H43 | 119.9° | 119.9° |
| O5 | C24 | C23 | H44 | 119.8° | 120.0° |
| O5 | C24 | C23 | C22 | 158.2° | 180.0° |
| O5 | C24 | C23 | H41 | 81.5° | 60.1° |
| O5 | C24 | C23 | H42 | 37.9° | 60.0° |
| O5 | C24 | H43 | H44 | 120.5° | 120.1° |
| N10 | C39 | C38 | O7 | 70.9° | 60.0° |
| N10 | C39 | C38 | C37 | 46.9° | 60.0° |
| N10 | C39 | C20 | C38 | 120.8° | 120.0° |
| N10 | C39 | C20 | H62 | 119.9° | 119.9° |
| N10 | C39 | C38 | H62 | 118.7° | 120.0° |
| N10 | C39 | C20 | H35 | 180.0° | 180.0° |
| N10 | C39 | C20 | H36 | 60.0° | 59.9° |
| N10 | C39 | C20 | H37 | 60.0° | 60.1° |
| N10 | C39 | C38 | H60 | 168.5° | 179.9° |
| C39 | N10 | H63 | C15 | 180.0° | 180.0° |
| O6 | C37 | C38 | O7 | 10.3° | 5.0° |
| O6 | C37 | C38 | N9 | 177.2° | 179.9° |
| O6 | C37 | C38 | C39 | 108.9° | 115.0° |
| O6 | C37 | N9 | C22 | 7.4° | 0.0° |
| O6 | C37 | N9 | H34 | 172.6° | 180.0° |
| O6 | C37 | C38 | H60 | 129.3° | 125.1° |
| C24 | C23 | C22 | H41 | 120.3° | 120.0° |
| C24 | C23 | C22 | H42 | 120.3° | 120.0° |
| C24 | C23 | C22 | N9 | 157.9° | 65.0° |
| C24 | C23 | C22 | C21 | 79.4° | 175.0° |
| C24 | C23 | C22 | H40 | 39.5° | 55.0° |
| C24 | C23 | H41 | H42 | 119.0° | 120.1° |
| C23 | C24 | H43 | H44 | 120.5° | 120.0° |
| O7 | C38 | C37 | C39 | 119.2° | 120.0° |
| O7 | C38 | C37 | H60 | 119.0° | 120.1° |
| O7 | C38 | C37 | N9 | 166.9° | 175.0° |
| O7 | C38 | C39 | C20 | 51.0° | 60.0° |
| O7 | C38 | C39 | H60 | 120.6° | 120.1° |
| O7 | C38 | C39 | H62 | 170.4° | 180.0° |
| C37 | C38 | C39 | C20 | 168.8° | 180.0° |
| C37 | C38 | C39 | H60 | 121.6° | 119.9° |
| C38 | C37 | N9 | C22 | 175.6° | 180.0° |
| C38 | C37 | N9 | H34 | 4.4° | 0.1° |
| C37 | C38 | O7 | H61 | 4.7° | 60.0° |
| C37 | C38 | C39 | H62 | 71.8° | 60.0° |
| C37 | N9 | C22 | C23 | 106.9° | 155.0° |
| N9 | C37 | C38 | C39 | 73.9° | 65.0° |
| C37 | N9 | C22 | H34 | 180.0° | 180.0° |
| C37 | N9 | C22 | C21 | 131.1° | 85.0° |
| C37 | N9 | C22 | H40 | 11.4° | 35.0° |
| N9 | C37 | C38 | H60 | 47.9° | 54.9° |
| C23 | C22 | N9 | C21 | 122.0° | 120.0° |
| C23 | C22 | N9 | H40 | 118.2° | 120.0° |
| C23 | C22 | C21 | H40 | 118.8° | 120.0° |
| C23 | C22 | C21 | C40 | 167.5° | 175.0° |
| C23 | C22 | N9 | H34 | 73.2° | 25.0° |
| C23 | C22 | C21 | H38 | 71.8° | 55.0° |
| C23 | C22 | C21 | H39 | 46.7° | 65.1° |
| C22 | C23 | H41 | H42 | 119.1° | 120.0° |
| C22 | C23 | C24 | H43 | 38.3° | 60.0° |
| C22 | C23 | C24 | H44 | 82.0° | 60.0° |
| C20 | C39 | C38 | H62 | 119.4° | 120.0° |
| C39 | C20 | H35 | H36 | 120.0° | 120.1° |
| C39 | C20 | H35 | H37 | 120.0° | 119.9° |
| C39 | C20 | H36 | H37 | 120.0° | 120.0° |
| C20 | C39 | C38 | H60 | 69.6° | 60.0° |
| C20 | C39 | N10 | H63 | 44.3° | 95.1° |
| C20 | C39 | N10 | C15 | 135.6° | 84.9° |
| C38 | C39 | C20 | H35 | 59.2° | 60.0° |
| C38 | C39 | C20 | H36 | 179.2° | 180.0° |
| C38 | C39 | C20 | H37 | 60.8° | 60.0° |
| C39 | C38 | O7 | H61 | 118.2° | 60.0° |
| C38 | C39 | N10 | H63 | 78.5° | 25.0° |
| C38 | C39 | N10 | C15 | 101.5° | 155.0° |
| N9 | C22 | C21 | H40 | 120.0° | 120.0° |
| N9 | C22 | C21 | C40 | 46.2° | 65.0° |
| N9 | C22 | C21 | H38 | 167.0° | 175.0° |
| N9 | C22 | C21 | H39 | 74.6° | 54.9° |
| N9 | C22 | C23 | H41 | 81.8° | 55.0° |
| N9 | C22 | C23 | H42 | 37.6° | 175.0° |
| C22 | C21 | C40 | C25 | 40.4° | 90.0° |
| C22 | C21 | C40 | H38 | 120.8° | 120.0° |
| C22 | C21 | C40 | H39 | 120.8° | 119.9° |
| C22 | C21 | C40 | C43 | 142.0° | 90.0° |
| C21 | C22 | N9 | H34 | 48.9° | 95.0° |
| C22 | C21 | H38 | H39 | 117.5° | 120.0° |
| C21 | C22 | C23 | H41 | 40.9° | 65.0° |
| C21 | C22 | C23 | H42 | 160.3° | 55.0° |
| C41 | C25 | C40 | H45 | 180.0° | 179.8° |
| C41 | C25 | C40 | C21 | 179.6° | 180.0° |
| C25 | C41 | C42 | H64 | 180.0° | 179.9° |
| C41 | C25 | C40 | C43 | 2.0° | 0.0° |
| C25 | C41 | C42 | C26 | 0.3° | 0.0° |
| C25 | C41 | C42 | H65 | 179.7° | 180.0° |
| C25 | C40 | C21 | C43 | 177.6° | 180.0° |
| C40 | C25 | C41 | C42 | 0.5° | 0.0° |
| C25 | C40 | C43 | C26 | 2.8° | 0.1° |
| C25 | C40 | C21 | H38 | 80.4° | 30.0° |
| C25 | C40 | C21 | H39 | 161.2° | 150.0° |
| C40 | C25 | C41 | H64 | 179.5° | 179.9° |
| C25 | C40 | C43 | H66 | 177.2° | 180.0° |
| C21 | C40 | C43 | C26 | 179.6° | 180.0° |
| C40 | C21 | H38 | H39 | 117.5° | 120.0° |
| C40 | C21 | C22 | H40 | 73.7° | 55.0° |
| C21 | C40 | C25 | H45 | 0.4° | 0.3° |
| C21 | C40 | C43 | H66 | 0.4° | 0.0° |
| C41 | C42 | C26 | H65 | 180.0° | 180.0° |
| C41 | C42 | C26 | C43 | 0.4° | 0.0° |
| C42 | C41 | C25 | H45 | 179.5° | 179.7° |
| C41 | C42 | C26 | H46 | 179.6° | 179.9° |
| C40 | C43 | C26 | C42 | 1.9° | 0.1° |
| C40 | C43 | C26 | H66 | 180.0° | 179.9° |
| C43 | C40 | C21 | H38 | 97.2° | 150.0° |
| C43 | C40 | C21 | H39 | 21.2° | 29.9° |
| C43 | C40 | C25 | H45 | 177.9° | 179.8° |
| C40 | C43 | C26 | H46 | 178.1° | 180.0° |
| C42 | C26 | C43 | H46 | 180.0° | 179.9° |
| C26 | C42 | C41 | H64 | 179.6° | 179.9° |
| C42 | C26 | C43 | H66 | 178.1° | 180.0° |
| C43 | C26 | C42 | H65 | 179.6° | 180.0° |
| H34 | N9 | C22 | H40 | 168.6° | 145.0° |
| H35 | C20 | H36 | H37 | 120.0° | 119.9° |
| H35 | C20 | C39 | H62 | 60.1° | 60.1° |
| H36 | C20 | C39 | H62 | 59.9° | 60.0° |
| H37 | C20 | C39 | H62 | 179.9° | 180.0° |
| H38 | C21 | C22 | H40 | 47.1° | 65.0° |
| H39 | C21 | C22 | H40 | 165.5° | 175.0° |
| H40 | C22 | C23 | H41 | 159.8° | 175.0° |
| H40 | C22 | C23 | H42 | 80.9° | 65.0° |
| H41 | C23 | C24 | H43 | 158.7° | 180.0° |
| H41 | C23 | C24 | H44 | 38.3° | 60.0° |
| H42 | C23 | C24 | H43 | 82.0° | 59.9° |
| H42 | C23 | C24 | H44 | 157.7° | 179.9° |
| H45 | C25 | C41 | H64 | 0.5° | 0.2° |
| H46 | C26 | C42 | H65 | 0.4° | 0.1° |
| H46 | C26 | C43 | H66 | 1.9° | 0.1° |
| H47 | C28 | C36 | H59 | 0.7° | 0.0° |
| H48 | C29 | C35 | H58 | 0.2° | 0.0° |
| H49 | C30 | C31 | H51 | 88.8° | 60.0° |
| H49 | C30 | C31 | H52 | 30.7° | 180.0° |
| H50 | C30 | C31 | H51 | 152.2° | 180.0° |
| H50 | C30 | C31 | H52 | 88.3° | 60.1° |
| H51 | C31 | C33 | H56 | 164.3° | 180.0° |
| H51 | C31 | C33 | H57 | 75.8° | 60.0° |
| H52 | C31 | C33 | H56 | 44.8° | 60.0° |
| H52 | C31 | C33 | H57 | 164.7° | 180.0° |
| H53 | C32 | H54 | H55 | 120.0° | 120.0° |
| H53 | C32 | C33 | H56 | 60.0° | 60.1° |
| H53 | C32 | C33 | H57 | 59.9° | 60.0° |
| H54 | C32 | C33 | H56 | 60.0° | 180.0° |
| H54 | C32 | C33 | H57 | 179.9° | 59.9° |
| H55 | C32 | C33 | H56 | 180.0° | 59.9° |
| H55 | C32 | C33 | H57 | 60.1° | 180.0° |
| H60 | C38 | O7 | H61 | 122.3° | 180.0° |
| H60 | C38 | C39 | H62 | 49.8° | 60.0° |
| H62 | C39 | N10 | H63 | 163.6° | 145.0° |
| H62 | C39 | N10 | C15 | 16.4° | 35.0° |
| H64 | C41 | C42 | H65 | 0.4° | 0.1° |
