PRD_000778
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C7 | sing | 1.51Å | 1.47Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | N2 | sing | 1.47Å | 1.46Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | C5 | sing | 1.37Å | 1.31Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | N3 | doub | 1.29Å | 1.25Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C7 | O1 | doub | 1.21Å | 1.21Å | |
| N4 | C8 | sing | 1.47Å | 1.44Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| N5 | C13 | sing | 1.46Å | 1.46Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | N6 | sing | 1.47Å | 1.46Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H32 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| N6 | C22 | sing | 1.47Å | 1.46Å | |
| N6 | H35 | sing | 1.01Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | O3 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H42 | sing | 1.08Å | 1.08Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| N7 | C31 | sing | 1.47Å | 1.46Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | O4 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | O5 | doub | 1.21Å | 1.35Å | |
| C35 | O6 | sing | 1.34Å | 1.23Å | |
| O6 | H50 | sing | 0.97Å | 0.95Å | |
| N8 | C36 | sing | 1.46Å | 1.45Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C37 | O7 | doub | 1.21Å | 1.24Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C38 | H55 | sing | 1.09Å | 1.10Å | |
| N9 | C39 | sing | 1.47Å | 1.45Å | |
| N9 | H56 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | O8 | doub | 1.21Å | 1.35Å | |
| C40 | O9 | sing | 1.34Å | 1.22Å | |
| O9 | H58 | sing | 0.97Å | 0.95Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C42 | H62 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | H63 | sing | 1.09Å | 1.10Å | |
| C43 | H64 | sing | 1.09Å | 1.10Å | |
| C44 | H65 | sing | 1.09Å | 1.10Å | |
| C44 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.09Å | 1.10Å | |
| C7 | N4 | sing | 1.35Å | 1.35Å | |
| C9 | N5 | sing | 1.35Å | 1.31Å | |
| C23 | N7 | sing | 1.35Å | 1.32Å | |
| C32 | N8 | sing | 1.35Å | 1.33Å | |
| C37 | N9 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.1° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 107.7° | 109.5° |
| N1 | C1 | C7 | 107.0° | 109.5° |
| N1 | C1 | H3 | 114.0° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C7 | 100.6° | 109.4° |
| C2 | C1 | H3 | 112.9° | 109.4° |
| C1 | C2 | C3 | 114.7° | 109.5° |
| C1 | C2 | H4 | 108.2° | 109.5° |
| C1 | C2 | H5 | 108.2° | 109.5° |
| C7 | C1 | H3 | 113.8° | 109.5° |
| C1 | C7 | O1 | 108.7° | 119.9° |
| C1 | C7 | N4 | 135.3° | 120.0° |
| C3 | C2 | H4 | 108.1° | 109.4° |
| C3 | C2 | H5 | 108.1° | 109.5° |
| C2 | C3 | C4 | 112.1° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.5° |
| C2 | C3 | H7 | 108.8° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
| C4 | C3 | H6 | 108.8° | 109.4° |
| C4 | C3 | H7 | 108.8° | 109.5° |
| C3 | C4 | N2 | 109.4° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| N2 | C4 | H8 | 109.5° | 109.4° |
| N2 | C4 | H9 | 109.5° | 109.5° |
| C4 | N2 | C5 | 122.6° | 120.0° |
| C4 | N2 | H10 | 118.7° | 120.0° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| C5 | N2 | H10 | 118.7° | 120.0° |
| N2 | C5 | C6 | 119.7° | 120.0° |
| N2 | C5 | N3 | 119.5° | 120.0° |
| C6 | C5 | N3 | 120.7° | 120.0° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| C5 | C6 | H13 | 109.4° | 109.5° |
| C5 | N3 | H14 | 112.0° | 120.0° |
| H11 | C6 | H12 | 109.4° | 109.5° |
| H11 | C6 | H13 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.4° |
| O1 | C7 | N4 | 116.1° | 120.0° |
| C8 | N4 | H15 | 106.7° | 120.0° |
| N4 | C8 | C9 | 117.3° | 109.5° |
| N4 | C8 | C10 | 104.1° | 109.4° |
| N4 | C8 | H16 | 107.8° | 109.5° |
| C8 | N4 | C7 | 146.6° | 120.0° |
| H15 | N4 | C7 | 106.7° | 120.0° |
| C9 | C8 | C10 | 113.6° | 109.5° |
| C9 | C8 | H16 | 106.8° | 109.5° |
| C8 | C9 | O2 | 128.3° | 120.0° |
| C8 | C9 | N5 | 114.0° | 120.0° |
| C10 | C8 | H16 | 106.6° | 109.5° |
| C8 | C10 | C11 | 117.6° | 109.5° |
| C8 | C10 | C12 | 116.2° | 109.5° |
| C8 | C10 | H17 | 104.5° | 109.4° |
| O2 | C9 | N5 | 117.7° | 120.0° |
| C11 | C10 | C12 | 107.6° | 109.5° |
| C11 | C10 | H17 | 104.6° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.4° | 109.5° |
| C12 | C10 | H17 | 104.7° | 109.5° |
| C10 | C12 | H21 | 109.5° | 109.4° |
| C10 | C12 | H22 | 109.5° | 109.5° |
| C10 | C12 | H23 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H18 | C11 | H20 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| C13 | N5 | H24 | 118.4° | 120.0° |
| N5 | C13 | C14 | 110.3° | 109.5° |
| N5 | C13 | C15 | 108.4° | 109.5° |
| N5 | C13 | H25 | 109.5° | 109.5° |
| C13 | N5 | C9 | 123.2° | 120.0° |
| H24 | N5 | C9 | 118.4° | 120.0° |
| C14 | C13 | C15 | 111.2° | 109.5° |
| C14 | C13 | H25 | 108.7° | 109.5° |
| C13 | C14 | N6 | 109.7° | 109.5° |
| C13 | C14 | H26 | 109.4° | 109.5° |
| C13 | C14 | H27 | 109.4° | 109.4° |
| C15 | C13 | H25 | 108.7° | 109.4° |
| C13 | C15 | C16 | 111.3° | 109.5° |
| C13 | C15 | H28 | 109.0° | 109.5° |
| C13 | C15 | H29 | 109.0° | 109.5° |
| N6 | C14 | H26 | 109.4° | 109.5° |
| N6 | C14 | H27 | 109.4° | 109.5° |
| C14 | N6 | C22 | 121.7° | 111.0° |
| C14 | N6 | H35 | 106.3° | 111.0° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| C16 | C15 | H28 | 109.0° | 109.4° |
| C16 | C15 | H29 | 109.0° | 109.5° |
| C15 | C16 | C17 | 121.9° | 120.0° |
| C15 | C16 | C18 | 120.9° | 120.0° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| C17 | C16 | C18 | 117.2° | 120.0° |
| C16 | C17 | C19 | 121.1° | 120.0° |
| C16 | C17 | H30 | 119.4° | 120.0° |
| C16 | C18 | C20 | 121.6° | 120.0° |
| C16 | C18 | H31 | 119.2° | 120.0° |
| C19 | C17 | H30 | 119.5° | 120.0° |
| C17 | C19 | C21 | 122.1° | 120.0° |
| C17 | C19 | H32 | 119.0° | 120.0° |
| C20 | C18 | H31 | 119.2° | 120.0° |
| C18 | C20 | C21 | 120.7° | 120.0° |
| C18 | C20 | H33 | 119.6° | 120.0° |
| C21 | C19 | H32 | 118.9° | 120.0° |
| C19 | C21 | C20 | 117.3° | 120.0° |
| C19 | C21 | H34 | 121.4° | 120.0° |
| C21 | C20 | H33 | 119.6° | 120.0° |
| C20 | C21 | H34 | 121.3° | 120.0° |
| C22 | N6 | H35 | 106.3° | 111.0° |
| N6 | C22 | C23 | 113.8° | 109.5° |
| N6 | C22 | C24 | 105.7° | 109.5° |
| N6 | C22 | H36 | 107.9° | 109.4° |
| C23 | C22 | C24 | 114.7° | 109.5° |
| C23 | C22 | H36 | 107.3° | 109.5° |
| C22 | C23 | O3 | 124.9° | 120.0° |
| C22 | C23 | N7 | 117.2° | 120.0° |
| C24 | C22 | H36 | 107.1° | 109.5° |
| C22 | C24 | C25 | 114.5° | 109.5° |
| C22 | C24 | H37 | 108.2° | 109.5° |
| C22 | C24 | H38 | 108.2° | 109.5° |
| O3 | C23 | N7 | 117.9° | 120.0° |
| C25 | C24 | H37 | 108.2° | 109.4° |
| C25 | C24 | H38 | 108.2° | 109.4° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C24 | C25 | C27 | 120.2° | 120.0° |
| H37 | C24 | H38 | 109.5° | 109.4° |
| C26 | C25 | C27 | 118.5° | 120.0° |
| C25 | C26 | C28 | 118.7° | 120.0° |
| C25 | C26 | H39 | 120.7° | 120.0° |
| C25 | C27 | C29 | 122.7° | 120.0° |
| C25 | C27 | H40 | 118.6° | 120.0° |
| C28 | C26 | H39 | 120.7° | 120.0° |
| C26 | C28 | C30 | 122.2° | 120.0° |
| C26 | C28 | H41 | 118.9° | 120.0° |
| C29 | C27 | H40 | 118.6° | 120.0° |
| C27 | C29 | C30 | 118.7° | 120.0° |
| C27 | C29 | H42 | 120.7° | 120.0° |
| C30 | C28 | H41 | 118.9° | 120.0° |
| C28 | C30 | C29 | 119.2° | 120.0° |
| C28 | C30 | H43 | 120.4° | 120.0° |
| C30 | C29 | H42 | 120.7° | 120.0° |
| C29 | C30 | H43 | 120.4° | 120.0° |
| C31 | N7 | H44 | 118.3° | 120.1° |
| N7 | C31 | C32 | 108.2° | 109.4° |
| N7 | C31 | C33 | 109.4° | 109.4° |
| N7 | C31 | H45 | 109.3° | 109.5° |
| C31 | N7 | C23 | 123.4° | 120.0° |
| H44 | N7 | C23 | 118.3° | 119.9° |
| C32 | C31 | C33 | 112.4° | 109.5° |
| C32 | C31 | H45 | 108.9° | 109.5° |
| C31 | C32 | O4 | 119.8° | 120.0° |
| C31 | C32 | N8 | 117.8° | 120.0° |
| C33 | C31 | H45 | 108.5° | 109.5° |
| C31 | C33 | C34 | 117.6° | 109.5° |
| C31 | C33 | H46 | 107.4° | 109.5° |
| C31 | C33 | H47 | 107.4° | 109.4° |
| O4 | C32 | N8 | 122.4° | 120.0° |
| C34 | C33 | H46 | 107.4° | 109.5° |
| C34 | C33 | H47 | 107.4° | 109.5° |
| C33 | C34 | C35 | 111.7° | 109.4° |
| C33 | C34 | H48 | 108.9° | 109.5° |
| C33 | C34 | H49 | 108.9° | 109.5° |
| H46 | C33 | H47 | 109.5° | 109.5° |
| C35 | C34 | H48 | 108.9° | 109.5° |
| C35 | C34 | H49 | 108.9° | 109.5° |
| C34 | C35 | O5 | 122.3° | 120.0° |
| C34 | C35 | O6 | 120.6° | 120.0° |
| H48 | C34 | H49 | 109.5° | 109.5° |
| O5 | C35 | O6 | 117.0° | 120.0° |
| C35 | O6 | H50 | 109.5° | 117.0° |
| C36 | N8 | H51 | 116.8° | 120.0° |
| N8 | C36 | C37 | 109.0° | 109.5° |
| N8 | C36 | C38 | 105.9° | 109.5° |
| N8 | C36 | H52 | 111.5° | 109.4° |
| C36 | N8 | C32 | 126.3° | 120.0° |
| H51 | N8 | C32 | 116.8° | 120.0° |
| C37 | C36 | C38 | 109.4° | 109.5° |
| C37 | C36 | H52 | 110.3° | 109.5° |
| C36 | C37 | O7 | 120.5° | 120.0° |
| C36 | C37 | N9 | 121.4° | 120.0° |
| C38 | C36 | H52 | 110.6° | 109.5° |
| C36 | C38 | H53 | 109.5° | 109.6° |
| C36 | C38 | H54 | 109.4° | 109.5° |
| C36 | C38 | H55 | 109.5° | 109.5° |
| O7 | C37 | N9 | 118.1° | 120.0° |
| H53 | C38 | H54 | 109.5° | 109.4° |
| H53 | C38 | H55 | 109.4° | 109.5° |
| H54 | C38 | H55 | 109.5° | 109.4° |
| C39 | N9 | H56 | 120.4° | 120.0° |
| N9 | C39 | C40 | 105.8° | 109.5° |
| N9 | C39 | C41 | 112.5° | 109.5° |
| N9 | C39 | H57 | 110.7° | 109.4° |
| C39 | N9 | C37 | 119.3° | 120.0° |
| H56 | N9 | C37 | 120.4° | 120.0° |
| C40 | C39 | C41 | 107.9° | 109.5° |
| C40 | C39 | H57 | 110.1° | 109.4° |
| C39 | C40 | O8 | 122.5° | 120.0° |
| C39 | C40 | O9 | 117.7° | 120.0° |
| C41 | C39 | H57 | 109.7° | 109.4° |
| C39 | C41 | C42 | 110.6° | 109.5° |
| C39 | C41 | H59 | 109.2° | 109.4° |
| C39 | C41 | H60 | 109.2° | 109.5° |
| O8 | C40 | O9 | 119.9° | 120.0° |
| C40 | O9 | H58 | 109.5° | 116.9° |
| C42 | C41 | H59 | 109.2° | 109.5° |
| C42 | C41 | H60 | 109.2° | 109.5° |
| C41 | C42 | C43 | 110.0° | 109.5° |
| C41 | C42 | H61 | 109.3° | 109.4° |
| C41 | C42 | H62 | 109.3° | 109.5° |
| H59 | C41 | H60 | 109.5° | 109.5° |
| C43 | C42 | H61 | 109.4° | 109.5° |
| C43 | C42 | H62 | 109.4° | 109.4° |
| C42 | C43 | C44 | 111.6° | 109.5° |
| C42 | C43 | H63 | 108.9° | 109.5° |
| C42 | C43 | H64 | 108.9° | 109.4° |
| H61 | C42 | H62 | 109.4° | 109.5° |
| C44 | C43 | H63 | 108.9° | 109.5° |
| C44 | C43 | H64 | 108.9° | 109.5° |
| C43 | C44 | H65 | 109.5° | 109.5° |
| C43 | C44 | H66 | 109.5° | 109.5° |
| C43 | C44 | H67 | 109.4° | 109.5° |
| H63 | C43 | H64 | 109.5° | 109.5° |
| H65 | C44 | H66 | 109.5° | 109.5° |
| H65 | C44 | H67 | 109.5° | 109.5° |
| H66 | C44 | H67 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C7 | 111.8° | 120.0° |
| N1 | C1 | C2 | H3 | 126.7° | 120.0° |
| N1 | C1 | C7 | H3 | 126.8° | 120.1° |
| N1 | C1 | C2 | C3 | 25.8° | 65.0° |
| N1 | C1 | C2 | H4 | 95.0° | 54.9° |
| N1 | C1 | C2 | H5 | 146.6° | 175.0° |
| N1 | C1 | C7 | O1 | 59.4° | 19.9° |
| N1 | C1 | C7 | N4 | 120.2° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.0° |
| H1 | N1 | C1 | C7 | 72.6° | 60.0° |
| H1 | N1 | C1 | H3 | 54.0° | 179.9° |
| H2 | N1 | C1 | C2 | 60.0° | 64.0° |
| H2 | N1 | C1 | C7 | 47.3° | 176.0° |
| H2 | N1 | C1 | H3 | 174.0° | 56.0° |
| C2 | C1 | C7 | H3 | 120.9° | 119.9° |
| C1 | C2 | C3 | H4 | 120.8° | 120.0° |
| C1 | C2 | C3 | H5 | 120.8° | 120.1° |
| C1 | C2 | H4 | H5 | 117.6° | 120.1° |
| C1 | C2 | C3 | C4 | 157.1° | 180.0° |
| C1 | C2 | C3 | H6 | 82.5° | 60.0° |
| C1 | C2 | C3 | H7 | 36.7° | 59.9° |
| C2 | C1 | C7 | O1 | 52.9° | 100.1° |
| C2 | C1 | C7 | N4 | 127.5° | 80.0° |
| C7 | C1 | C2 | C3 | 137.6° | 175.0° |
| C7 | C1 | C2 | H4 | 16.8° | 65.1° |
| C7 | C1 | C2 | H5 | 101.7° | 55.0° |
| C1 | C7 | O1 | N4 | 179.7° | 179.9° |
| C1 | C7 | N4 | C8 | 3.0° | 180.0° |
| C1 | C7 | N4 | H15 | 177.0° | 0.1° |
| H3 | C1 | C2 | C3 | 100.9° | 55.0° |
| H3 | C1 | C2 | H4 | 138.3° | 175.0° |
| H3 | C1 | C2 | H5 | 19.9° | 65.0° |
| H3 | C1 | C7 | O1 | 173.8° | 140.0° |
| H3 | C1 | C7 | N4 | 6.5° | 39.9° |
| C3 | C2 | H4 | H5 | 117.6° | 120.0° |
| C2 | C3 | C4 | H6 | 120.4° | 120.0° |
| C2 | C3 | C4 | H7 | 120.4° | 120.0° |
| C2 | C3 | H6 | H7 | 118.8° | 120.0° |
| C2 | C3 | C4 | N2 | 103.1° | 180.0° |
| C2 | C3 | C4 | H8 | 16.9° | 60.1° |
| C2 | C3 | C4 | H9 | 136.9° | 60.0° |
| H4 | C2 | C3 | C4 | 36.3° | 60.0° |
| H4 | C2 | C3 | H6 | 156.7° | 180.0° |
| H4 | C2 | C3 | H7 | 84.1° | 60.0° |
| H5 | C2 | C3 | C4 | 82.2° | 60.0° |
| H5 | C2 | C3 | H6 | 38.3° | 60.0° |
| H5 | C2 | C3 | H7 | 157.5° | 180.0° |
| C4 | C3 | H6 | H7 | 118.8° | 120.0° |
| C3 | C4 | N2 | H8 | 120.0° | 120.0° |
| C3 | C4 | N2 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H9 | 120.0° | 120.0° |
| C3 | C4 | N2 | C5 | 123.8° | 180.0° |
| C3 | C4 | N2 | H10 | 56.1° | 0.0° |
| H6 | C3 | C4 | N2 | 136.5° | 60.0° |
| H6 | C3 | C4 | H8 | 103.5° | 180.0° |
| H6 | C3 | C4 | H9 | 16.5° | 60.0° |
| H7 | C3 | C4 | N2 | 17.3° | 60.0° |
| H7 | C3 | C4 | H8 | 137.3° | 60.0° |
| H7 | C3 | C4 | H9 | 102.7° | 180.0° |
| N2 | C4 | H8 | H9 | 120.0° | 120.0° |
| C4 | N2 | C5 | H10 | 180.0° | 180.0° |
| C4 | N2 | C5 | C6 | 0.8° | 180.0° |
| C4 | N2 | C5 | N3 | 179.9° | 0.0° |
| H8 | C4 | N2 | C5 | 3.8° | 60.0° |
| H8 | C4 | N2 | H10 | 176.2° | 120.0° |
| H9 | C4 | N2 | C5 | 116.2° | 59.9° |
| H9 | C4 | N2 | H10 | 63.8° | 120.0° |
| N2 | C5 | C6 | N3 | 179.1° | 180.0° |
| N2 | C5 | C6 | H11 | 180.0° | 90.0° |
| N2 | C5 | C6 | H12 | 60.0° | 150.0° |
| N2 | C5 | C6 | H13 | 60.0° | 30.1° |
| N2 | C5 | N3 | H14 | 179.1° | 180.0° |
| H10 | N2 | C5 | C6 | 179.2° | 0.0° |
| H10 | N2 | C5 | N3 | 0.1° | 180.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.0° |
| C5 | C6 | H11 | H13 | 120.0° | 120.0° |
| C5 | C6 | H12 | H13 | 120.0° | 120.0° |
| C6 | C5 | N3 | H14 | 0.0° | 0.0° |
| N3 | C5 | C6 | H11 | 1.0° | 90.0° |
| N3 | C5 | C6 | H12 | 120.9° | 30.0° |
| N3 | C5 | C6 | H13 | 119.1° | 150.0° |
| H11 | C6 | H12 | H13 | 120.0° | 120.0° |
| O1 | C7 | N4 | C8 | 177.4° | 0.1° |
| O1 | C7 | N4 | H15 | 2.6° | 180.0° |
| C8 | N4 | H15 | C7 | 180.0° | 179.9° |
| N4 | C8 | C9 | C10 | 121.7° | 120.0° |
| N4 | C8 | C9 | H16 | 121.0° | 120.0° |
| N4 | C8 | C10 | H16 | 113.8° | 120.0° |
| N4 | C8 | C9 | O2 | 59.1° | 15.3° |
| N4 | C8 | C10 | C11 | 143.3° | 63.8° |
| N4 | C8 | C10 | C12 | 13.7° | 56.2° |
| N4 | C8 | C10 | H17 | 101.2° | 176.2° |
| N4 | C8 | C9 | N5 | 121.3° | 164.8° |
| H15 | N4 | C8 | C9 | 70.9° | 24.9° |
| H15 | N4 | C8 | C10 | 55.6° | 95.1° |
| H15 | N4 | C8 | H16 | 168.6° | 144.9° |
| C9 | C8 | C10 | H16 | 117.4° | 120.0° |
| C8 | C9 | O2 | N5 | 179.6° | 180.0° |
| C9 | C8 | C10 | C11 | 14.5° | 176.2° |
| C9 | C8 | C10 | C12 | 115.2° | 63.8° |
| C9 | C8 | C10 | H17 | 130.0° | 56.2° |
| C8 | C9 | N5 | C13 | 178.5° | 175.5° |
| C8 | C9 | N5 | H24 | 1.5° | 4.5° |
| C9 | C8 | N4 | C7 | 109.1° | 154.9° |
| C10 | C8 | C9 | O2 | 62.7° | 104.7° |
| C8 | C10 | C11 | C12 | 133.6° | 120.0° |
| C8 | C10 | C11 | H17 | 115.4° | 120.0° |
| C8 | C10 | C12 | H17 | 114.7° | 120.0° |
| C8 | C10 | C11 | H18 | 180.0° | 60.0° |
| C8 | C10 | C11 | H19 | 60.0° | 180.0° |
| C8 | C10 | C11 | H20 | 60.0° | 60.0° |
| C8 | C10 | C12 | H21 | 180.0° | 55.8° |
| C8 | C10 | C12 | H22 | 60.0° | 175.8° |
| C8 | C10 | C12 | H23 | 60.0° | 64.2° |
| C10 | C8 | N4 | C7 | 124.4° | 85.1° |
| C10 | C8 | C9 | N5 | 117.0° | 75.3° |
| H16 | C8 | C9 | O2 | 179.9° | 135.2° |
| H16 | C8 | C10 | C11 | 102.9° | 56.1° |
| H16 | C8 | C10 | C12 | 127.5° | 176.1° |
| H16 | C8 | C10 | H17 | 12.6° | 63.8° |
| H16 | C8 | N4 | C7 | 11.4° | 34.9° |
| H16 | C8 | C9 | N5 | 0.3° | 44.8° |
| O2 | C9 | N5 | C13 | 1.8° | 4.6° |
| O2 | C9 | N5 | H24 | 178.2° | 175.5° |
| C11 | C10 | C12 | H17 | 111.0° | 120.0° |
| C10 | C11 | H18 | H19 | 120.0° | 120.0° |
| C10 | C11 | H18 | H20 | 120.0° | 120.1° |
| C10 | C11 | H19 | H20 | 120.0° | 120.0° |
| C11 | C10 | C12 | H21 | 45.7° | 175.8° |
| C11 | C10 | C12 | H22 | 165.7° | 64.3° |
| C11 | C10 | C12 | H23 | 74.3° | 55.8° |
| C12 | C10 | C11 | H18 | 46.4° | 59.9° |
| C12 | C10 | C11 | H19 | 73.6° | 60.1° |
| C12 | C10 | C11 | H20 | 166.4° | 180.0° |
| C10 | C12 | H21 | H22 | 120.0° | 119.9° |
| C10 | C12 | H21 | H23 | 120.0° | 120.0° |
| C10 | C12 | H22 | H23 | 120.0° | 120.0° |
| H17 | C10 | C11 | H18 | 64.6° | 180.0° |
| H17 | C10 | C11 | H19 | 175.4° | 60.0° |
| H17 | C10 | C11 | H20 | 55.4° | 59.9° |
| H17 | C10 | C12 | H21 | 65.3° | 64.1° |
| H17 | C10 | C12 | H22 | 54.8° | 55.8° |
| H17 | C10 | C12 | H23 | 174.7° | 175.8° |
| H18 | C11 | H19 | H20 | 120.0° | 120.0° |
| H21 | C12 | H22 | H23 | 120.0° | 120.1° |
| C13 | N5 | H24 | C9 | 180.0° | 180.0° |
| N5 | C13 | C14 | C15 | 120.3° | 120.1° |
| N5 | C13 | C14 | H25 | 120.1° | 120.0° |
| N5 | C13 | C15 | H25 | 119.0° | 120.0° |
| N5 | C13 | C14 | N6 | 65.9° | 55.0° |
| N5 | C13 | C14 | H26 | 174.1° | 175.0° |
| N5 | C13 | C14 | H27 | 54.1° | 65.0° |
| N5 | C13 | C15 | C16 | 45.1° | 65.0° |
| N5 | C13 | C15 | H28 | 75.2° | 55.0° |
| N5 | C13 | C15 | H29 | 165.4° | 175.0° |
| H24 | N5 | C13 | C14 | 71.0° | 25.0° |
| H24 | N5 | C13 | C15 | 50.9° | 95.0° |
| H24 | N5 | C13 | H25 | 169.3° | 145.0° |
| C14 | C13 | C15 | H25 | 119.7° | 119.9° |
| C13 | C14 | N6 | H26 | 120.0° | 120.1° |
| C13 | C14 | N6 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H27 | 119.9° | 120.0° |
| C14 | C13 | C15 | C16 | 166.5° | 175.0° |
| C14 | C13 | C15 | H28 | 46.2° | 65.1° |
| C14 | C13 | C15 | H29 | 73.3° | 55.0° |
| C13 | C14 | N6 | C22 | 137.8° | 176.9° |
| C13 | C14 | N6 | H35 | 100.5° | 59.2° |
| C14 | C13 | N5 | C9 | 109.0° | 155.0° |
| C15 | C13 | C14 | N6 | 173.8° | 175.0° |
| C15 | C13 | C14 | H26 | 53.8° | 64.9° |
| C15 | C13 | C14 | H27 | 66.1° | 55.0° |
| C13 | C15 | C16 | H28 | 120.3° | 120.0° |
| C13 | C15 | C16 | H29 | 120.3° | 120.0° |
| C13 | C15 | H28 | H29 | 119.2° | 120.1° |
| C13 | C15 | C16 | C17 | 74.8° | 89.9° |
| C13 | C15 | C16 | C18 | 105.6° | 90.3° |
| C15 | C13 | N5 | C9 | 129.1° | 85.0° |
| H25 | C13 | C14 | N6 | 54.2° | 65.1° |
| H25 | C13 | C14 | H26 | 65.8° | 55.0° |
| H25 | C13 | C14 | H27 | 174.2° | 174.9° |
| H25 | C13 | C15 | C16 | 73.9° | 55.1° |
| H25 | C13 | C15 | H28 | 165.9° | 175.0° |
| H25 | C13 | C15 | H29 | 46.4° | 65.0° |
| H25 | C13 | N5 | C9 | 10.7° | 35.0° |
| N6 | C14 | H26 | H27 | 119.9° | 120.0° |
| C14 | N6 | C22 | H35 | 121.7° | 123.9° |
| C14 | N6 | C22 | C23 | 55.8° | 132.3° |
| C14 | N6 | C22 | C24 | 177.6° | 107.7° |
| C14 | N6 | C22 | H36 | 63.2° | 12.3° |
| H26 | C14 | N6 | C22 | 17.7° | 56.8° |
| H26 | C14 | N6 | H35 | 139.4° | 179.2° |
| H27 | C14 | N6 | C22 | 102.2° | 63.1° |
| H27 | C14 | N6 | H35 | 19.5° | 60.8° |
| C16 | C15 | H28 | H29 | 119.1° | 120.0° |
| C15 | C16 | C17 | C18 | 179.6° | 179.8° |
| C15 | C16 | C17 | C19 | 179.9° | 180.0° |
| C15 | C16 | C17 | H30 | 0.1° | 0.0° |
| C15 | C16 | C18 | C20 | 179.3° | 180.0° |
| C15 | C16 | C18 | H31 | 0.8° | 0.1° |
| H28 | C15 | C16 | C17 | 164.9° | 30.0° |
| H28 | C15 | C16 | C18 | 14.6° | 149.8° |
| H29 | C15 | C16 | C17 | 45.4° | 150.0° |
| H29 | C15 | C16 | C18 | 134.1° | 29.8° |
| C16 | C17 | C19 | H30 | 180.0° | 179.9° |
| C17 | C16 | C18 | C20 | 1.2° | 0.2° |
| C17 | C16 | C18 | H31 | 178.8° | 179.7° |
| C16 | C17 | C19 | C21 | 0.3° | 0.0° |
| C16 | C17 | C19 | H32 | 179.7° | 180.0° |
| C18 | C16 | C17 | C19 | 0.4° | 0.3° |
| C18 | C16 | C17 | H30 | 179.6° | 179.8° |
| C16 | C18 | C20 | H31 | 180.0° | 179.9° |
| C16 | C18 | C20 | C21 | 2.0° | 0.0° |
| C16 | C18 | C20 | H33 | 178.0° | 179.9° |
| C17 | C19 | C21 | H32 | 180.0° | 180.0° |
| C17 | C19 | C21 | C20 | 1.0° | 0.2° |
| C17 | C19 | C21 | H34 | 179.0° | 180.0° |
| H30 | C17 | C19 | C21 | 179.7° | 180.0° |
| H30 | C17 | C19 | H32 | 0.3° | 0.0° |
| C18 | C20 | C21 | C19 | 1.8° | 0.3° |
| C18 | C20 | C21 | H33 | 180.0° | 180.0° |
| C18 | C20 | C21 | H34 | 178.2° | 180.0° |
| H31 | C18 | C20 | C21 | 178.0° | 180.0° |
| H31 | C18 | C20 | H33 | 2.0° | 0.0° |
| C19 | C21 | C20 | H34 | 180.0° | 179.8° |
| C19 | C21 | C20 | H33 | 178.2° | 179.7° |
| H32 | C19 | C21 | C20 | 178.9° | 179.8° |
| H32 | C19 | C21 | H34 | 1.0° | 0.0° |
| H33 | C20 | C21 | H34 | 1.8° | 0.1° |
| N6 | C22 | C23 | C24 | 121.8° | 120.0° |
| N6 | C22 | C23 | H36 | 119.3° | 120.0° |
| N6 | C22 | C24 | H36 | 114.9° | 120.0° |
| N6 | C22 | C23 | O3 | 40.7° | 0.0° |
| N6 | C22 | C24 | C25 | 168.9° | 64.3° |
| N6 | C22 | C24 | H37 | 70.4° | 55.7° |
| N6 | C22 | C24 | H38 | 48.1° | 175.7° |
| N6 | C22 | C23 | N7 | 139.7° | 180.0° |
| H35 | N6 | C22 | C23 | 177.5° | 103.8° |
| H35 | N6 | C22 | C24 | 55.9° | 16.3° |
| H35 | N6 | C22 | H36 | 58.5° | 136.3° |
| C23 | C22 | C24 | H36 | 118.9° | 120.0° |
| C22 | C23 | O3 | N7 | 179.7° | 180.0° |
| C23 | C22 | C24 | C25 | 42.7° | 175.7° |
| C23 | C22 | C24 | H37 | 163.4° | 64.3° |
| C23 | C22 | C24 | H38 | 78.0° | 55.7° |
| C22 | C23 | N7 | C31 | 178.8° | 180.0° |
| C22 | C23 | N7 | H44 | 1.2° | 0.0° |
| C24 | C22 | C23 | O3 | 81.2° | 120.0° |
| C22 | C24 | C25 | H37 | 120.7° | 120.0° |
| C22 | C24 | C25 | H38 | 120.8° | 120.1° |
| C22 | C24 | H37 | H38 | 117.7° | 120.1° |
| C22 | C24 | C25 | C26 | 77.8° | 91.8° |
| C22 | C24 | C25 | C27 | 103.3° | 88.4° |
| C24 | C22 | C23 | N7 | 98.5° | 60.0° |
| H36 | C22 | C23 | O3 | 160.0° | 120.0° |
| H36 | C22 | C24 | C25 | 76.2° | 55.7° |
| H36 | C22 | C24 | H37 | 44.5° | 175.7° |
| H36 | C22 | C24 | H38 | 163.0° | 64.3° |
| H36 | C22 | C23 | N7 | 20.4° | 60.0° |
| O3 | C23 | N7 | C31 | 0.9° | 0.0° |
| O3 | C23 | N7 | H44 | 179.1° | 180.0° |
| C25 | C24 | H37 | H38 | 117.7° | 119.9° |
| C24 | C25 | C26 | C27 | 178.9° | 179.8° |
| C24 | C25 | C26 | C28 | 179.1° | 180.0° |
| C24 | C25 | C26 | H39 | 0.9° | 0.0° |
| C24 | C25 | C27 | C29 | 179.9° | 180.0° |
| C24 | C25 | C27 | H40 | 0.1° | 0.1° |
| H37 | C24 | C25 | C26 | 42.9° | 28.2° |
| H37 | C24 | C25 | C27 | 135.9° | 151.6° |
| H38 | C24 | C25 | C26 | 161.4° | 148.1° |
| H38 | C24 | C25 | C27 | 17.4° | 31.7° |
| C25 | C26 | C28 | H39 | 180.0° | 180.0° |
| C26 | C25 | C27 | C29 | 1.2° | 0.2° |
| C26 | C25 | C27 | H40 | 178.8° | 179.7° |
| C25 | C26 | C28 | C30 | 1.5° | 0.0° |
| C25 | C26 | C28 | H41 | 178.5° | 180.0° |
| C27 | C25 | C26 | C28 | 2.0° | 0.2° |
| C27 | C25 | C26 | H39 | 178.0° | 179.7° |
| C25 | C27 | C29 | H40 | 180.0° | 179.9° |
| C25 | C27 | C29 | C30 | 0.2° | 0.1° |
| C25 | C27 | C29 | H42 | 179.8° | 180.0° |
| C26 | C28 | C30 | H41 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 0.1° | 0.3° |
| C26 | C28 | C30 | H43 | 179.9° | 180.0° |
| H39 | C26 | C28 | C30 | 178.4° | 180.0° |
| H39 | C26 | C28 | H41 | 1.6° | 0.0° |
| C27 | C29 | C30 | C28 | 0.7° | 0.3° |
| C27 | C29 | C30 | H42 | 180.0° | 179.9° |
| C27 | C29 | C30 | H43 | 179.3° | 179.9° |
| H40 | C27 | C29 | C30 | 179.8° | 180.0° |
| H40 | C27 | C29 | H42 | 0.2° | 0.1° |
| C28 | C30 | C29 | H43 | 180.0° | 179.7° |
| C28 | C30 | C29 | H42 | 179.2° | 179.7° |
| H41 | C28 | C30 | C29 | 179.9° | 179.8° |
| H41 | C28 | C30 | H43 | 0.1° | 0.0° |
| H42 | C29 | C30 | H43 | 0.8° | 0.0° |
| C31 | N7 | H44 | C23 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 121.0° | 120.0° |
| N7 | C31 | C32 | H45 | 118.8° | 120.0° |
| N7 | C31 | C33 | H45 | 119.2° | 120.0° |
| N7 | C31 | C32 | O4 | 51.0° | 0.0° |
| N7 | C31 | C33 | C34 | 178.6° | 65.0° |
| N7 | C31 | C33 | H46 | 60.2° | 55.0° |
| N7 | C31 | C33 | H47 | 57.5° | 175.0° |
| N7 | C31 | C32 | N8 | 129.1° | 180.0° |
| H44 | N7 | C31 | C32 | 25.8° | 25.0° |
| H44 | N7 | C31 | C33 | 97.0° | 95.0° |
| H44 | N7 | C31 | H45 | 144.2° | 145.0° |
| C32 | C31 | C33 | H45 | 120.5° | 120.0° |
| C31 | C32 | O4 | N8 | 179.9° | 180.0° |
| C32 | C31 | C33 | C34 | 58.4° | 175.0° |
| C32 | C31 | C33 | H46 | 179.5° | 65.0° |
| C32 | C31 | C33 | H47 | 62.8° | 55.1° |
| C31 | C32 | N8 | C36 | 177.2° | 180.0° |
| C31 | C32 | N8 | H51 | 2.8° | 0.0° |
| C32 | C31 | N7 | C23 | 154.2° | 155.0° |
| C33 | C31 | C32 | O4 | 70.0° | 120.0° |
| C31 | C33 | C34 | H46 | 121.2° | 120.0° |
| C31 | C33 | C34 | H47 | 121.2° | 119.9° |
| C31 | C33 | H46 | H47 | 116.3° | 120.0° |
| C31 | C33 | C34 | C35 | 69.8° | 180.0° |
| C31 | C33 | C34 | H48 | 50.6° | 60.0° |
| C31 | C33 | C34 | H49 | 169.9° | 60.1° |
| C33 | C31 | N7 | C23 | 83.0° | 85.0° |
| C33 | C31 | C32 | N8 | 109.9° | 60.0° |
| H45 | C31 | C32 | O4 | 169.8° | 120.0° |
| H45 | C31 | C33 | C34 | 62.1° | 55.0° |
| H45 | C31 | C33 | H46 | 59.1° | 175.0° |
| H45 | C31 | C33 | H47 | 176.7° | 65.0° |
| H45 | C31 | N7 | C23 | 35.7° | 35.0° |
| H45 | C31 | C32 | N8 | 10.4° | 60.0° |
| O4 | C32 | N8 | C36 | 2.6° | 0.0° |
| O4 | C32 | N8 | H51 | 177.4° | 180.0° |
| C34 | C33 | H46 | H47 | 116.3° | 120.0° |
| C33 | C34 | C35 | H48 | 120.3° | 120.0° |
| C33 | C34 | C35 | H49 | 120.4° | 120.0° |
| C33 | C34 | H48 | H49 | 119.0° | 120.1° |
| C33 | C34 | C35 | O5 | 138.6° | 0.0° |
| C33 | C34 | C35 | O6 | 39.0° | 180.0° |
| H46 | C33 | C34 | C35 | 169.1° | 60.0° |
| H46 | C33 | C34 | H48 | 70.6° | NaN° |
| H46 | C33 | C34 | H49 | 48.7° | 59.9° |
| H47 | C33 | C34 | C35 | 51.4° | 60.0° |
| H47 | C33 | C34 | H48 | 171.7° | 59.9° |
| H47 | C33 | C34 | H49 | 68.9° | 180.0° |
| C35 | C34 | H48 | H49 | 119.0° | 120.0° |
| C34 | C35 | O5 | O6 | 177.7° | 180.0° |
| C34 | C35 | O6 | H50 | 177.7° | 180.0° |
| H48 | C34 | C35 | O5 | 18.2° | 120.0° |
| H48 | C34 | C35 | O6 | 159.4° | 60.0° |
| H49 | C34 | C35 | O5 | 101.1° | 120.0° |
| H49 | C34 | C35 | O6 | 81.3° | 60.0° |
| O5 | C35 | O6 | H50 | 0.0° | 0.0° |
| C36 | N8 | H51 | C32 | 180.0° | 180.0° |
| N8 | C36 | C37 | C38 | 115.4° | 120.1° |
| N8 | C36 | C37 | H52 | 122.8° | 120.0° |
| N8 | C36 | C38 | H52 | 120.9° | 120.0° |
| N8 | C36 | C37 | O7 | 17.3° | 0.1° |
| N8 | C36 | C38 | H53 | 180.0° | 180.0° |
| N8 | C36 | C38 | H54 | 60.0° | 60.0° |
| N8 | C36 | C38 | H55 | 60.0° | 60.0° |
| N8 | C36 | C37 | N9 | 164.2° | 180.0° |
| H51 | N8 | C36 | C37 | 36.3° | 25.0° |
| H51 | N8 | C36 | C38 | 81.3° | 95.0° |
| H51 | N8 | C36 | H52 | 158.3° | 145.0° |
| C37 | C36 | C38 | H52 | 121.7° | 120.0° |
| C36 | C37 | O7 | N9 | 178.5° | 180.0° |
| C37 | C36 | C38 | H53 | 62.6° | 60.0° |
| C37 | C36 | C38 | H54 | 177.4° | 180.0° |
| C37 | C36 | C38 | H55 | 57.4° | 60.1° |
| C36 | C37 | N9 | C39 | 177.6° | 180.0° |
| C36 | C37 | N9 | H56 | 2.3° | 0.0° |
| C37 | C36 | N8 | C32 | 143.7° | 155.0° |
| C38 | C36 | C37 | O7 | 98.1° | 120.0° |
| C36 | C38 | H53 | H54 | 120.0° | 120.0° |
| C36 | C38 | H53 | H55 | 120.0° | 120.1° |
| C36 | C38 | H54 | H55 | 120.0° | 120.0° |
| C38 | C36 | N8 | C32 | 98.7° | 85.0° |
| C38 | C36 | C37 | N9 | 80.4° | 60.0° |
| H52 | C36 | C37 | O7 | 140.1° | 120.0° |
| H52 | C36 | C38 | H53 | 59.1° | 60.0° |
| H52 | C36 | C38 | H54 | 60.9° | 60.0° |
| H52 | C36 | C38 | H55 | 179.1° | 179.9° |
| H52 | C36 | N8 | C32 | 21.7° | 35.0° |
| H52 | C36 | C37 | N9 | 41.4° | 60.0° |
| O7 | C37 | N9 | C39 | 0.9° | 0.0° |
| O7 | C37 | N9 | H56 | 179.1° | 180.0° |
| H53 | C38 | H54 | H55 | 120.0° | 119.9° |
| C39 | N9 | H56 | C37 | 180.0° | 180.0° |
| N9 | C39 | C40 | C41 | 120.7° | 120.1° |
| N9 | C39 | C40 | H57 | 119.6° | 120.0° |
| N9 | C39 | C41 | H57 | 123.6° | 120.0° |
| N9 | C39 | C40 | O8 | 154.9° | 0.1° |
| N9 | C39 | C40 | O9 | 25.2° | 180.0° |
| N9 | C39 | C41 | C42 | 86.0° | 65.0° |
| N9 | C39 | C41 | H59 | 34.2° | 55.0° |
| N9 | C39 | C41 | H60 | 153.8° | 175.0° |
| H56 | N9 | C39 | C40 | 89.9° | 95.0° |
| H56 | N9 | C39 | C41 | 27.8° | 25.0° |
| H56 | N9 | C39 | H57 | 150.8° | 145.0° |
| C40 | C39 | C41 | H57 | 120.0° | 120.0° |
| C39 | C40 | O8 | O9 | 179.8° | 180.0° |
| C39 | C40 | O9 | H58 | 179.9° | 180.0° |
| C40 | C39 | C41 | C42 | 157.6° | 175.0° |
| C40 | C39 | C41 | H59 | 82.2° | 65.0° |
| C40 | C39 | C41 | H60 | 37.5° | 55.0° |
| C40 | C39 | N9 | C37 | 90.1° | 84.9° |
| C41 | C39 | C40 | O8 | 84.4° | 120.0° |
| C41 | C39 | C40 | O9 | 95.4° | 60.0° |
| C39 | C41 | C42 | H59 | 120.2° | 120.0° |
| C39 | C41 | C42 | H60 | 120.2° | 120.0° |
| C39 | C41 | H59 | H60 | 119.5° | 120.0° |
| C39 | C41 | C42 | C43 | 139.2° | 179.9° |
| C39 | C41 | C42 | H61 | 19.1° | 60.0° |
| C39 | C41 | C42 | H62 | 100.7° | 60.0° |
| C41 | C39 | N9 | C37 | 152.3° | 155.0° |
| H57 | C39 | C40 | O8 | 35.3° | 120.0° |
| H57 | C39 | C40 | O9 | 144.9° | 60.0° |
| H57 | C39 | C41 | C42 | 37.6° | 55.0° |
| H57 | C39 | C41 | H59 | 157.8° | 175.0° |
| H57 | C39 | C41 | H60 | 82.5° | 65.0° |
| H57 | C39 | N9 | C37 | 29.2° | 35.0° |
| O8 | C40 | O9 | H58 | 0.0° | 0.0° |
| C42 | C41 | H59 | H60 | 119.5° | 120.0° |
| C41 | C42 | C43 | H61 | 120.1° | 120.0° |
| C41 | C42 | C43 | H62 | 120.1° | 120.0° |
| C41 | C42 | H61 | H62 | 119.7° | 120.0° |
| C41 | C42 | C43 | C44 | 179.8° | 180.0° |
| C41 | C42 | C43 | H63 | 59.5° | 60.0° |
| C41 | C42 | C43 | H64 | 59.9° | 60.0° |
| H59 | C41 | C42 | C43 | 100.6° | 60.0° |
| H59 | C41 | C42 | H61 | 139.3° | 180.0° |
| H59 | C41 | C42 | H62 | 19.5° | 60.0° |
| H60 | C41 | C42 | C43 | 19.1° | 60.0° |
| H60 | C41 | C42 | H61 | 101.0° | 60.0° |
| H60 | C41 | C42 | H62 | 139.2° | 180.0° |
| C43 | C42 | H61 | H62 | 119.8° | 120.0° |
| C42 | C43 | C44 | H63 | 120.3° | 120.1° |
| C42 | C43 | C44 | H64 | 120.3° | 120.0° |
| C42 | C43 | H63 | H64 | 119.0° | 120.0° |
| C42 | C43 | C44 | H65 | 180.0° | 60.0° |
| C42 | C43 | C44 | H66 | 60.0° | 60.0° |
| C42 | C43 | C44 | H67 | 60.0° | 180.0° |
| H61 | C42 | C43 | C44 | 60.2° | 60.0° |
| H61 | C42 | C43 | H63 | 179.5° | 180.0° |
| H61 | C42 | C43 | H64 | 60.2° | 60.0° |
| H62 | C42 | C43 | C44 | 59.7° | 60.0° |
| H62 | C42 | C43 | H63 | 60.6° | 60.0° |
| H62 | C42 | C43 | H64 | 180.0° | 180.0° |
| C44 | C43 | H63 | H64 | 119.0° | 120.0° |
| C43 | C44 | H65 | H66 | 120.0° | 120.0° |
| C43 | C44 | H65 | H67 | 120.0° | 120.0° |
| C43 | C44 | H66 | H67 | 119.9° | 120.0° |
| H63 | C43 | C44 | H65 | 59.7° | 180.0° |
| H63 | C43 | C44 | H66 | 179.7° | 60.0° |
| H63 | C43 | C44 | H67 | 60.3° | 60.0° |
| H64 | C43 | C44 | H65 | 59.7° | 60.0° |
| H64 | C43 | C44 | H66 | 60.3° | 180.0° |
| H64 | C43 | C44 | H67 | 179.7° | 60.0° |
| H65 | C44 | H66 | H67 | 120.0° | 120.0° |
