PRD_000363
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| 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 | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.43Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| C13 | O5 | sing | 1.34Å | 1.24Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å | |
| N3 | C14 | sing | 1.47Å | 1.43Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.23Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.44Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | O7 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| N5 | C23 | sing | 1.47Å | 1.45Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | O8 | doub | 1.21Å | 1.23Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H44 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H45 | sing | 1.08Å | 1.08Å | |
| C31 | H46 | sing | 1.08Å | 1.08Å | |
| N6 | C32 | sing | 1.46Å | 1.44Å | |
| N6 | H47 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | H51 | sing | 1.09Å | 1.10Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C35 | O9 | doub | 1.21Å | 1.23Å | |
| C35 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | H53 | sing | 0.97Å | 1.00Å | |
| N7 | H54 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H55 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.23Å | |
| C38 | O11 | sing | 1.34Å | 1.25Å | |
| O11 | C39 | sing | 1.45Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C40 | H61 | sing | 1.09Å | 1.10Å | |
| C40 | H62 | sing | 1.09Å | 1.10Å | |
| C40 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C36 | C32 | sing | 1.53Å | 1.56Å | |
| C4 | N2 | sing | 1.35Å | 1.30Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å | |
| C15 | N4 | sing | 1.35Å | 1.30Å | |
| C18 | N5 | sing | 1.35Å | 1.33Å | |
| C24 | N6 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.8° | 120.0° |
| O1 | C1 | N1 | 122.8° | 120.1° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 114.9° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.8° | 120.0° |
| N1 | C3 | C4 | 110.5° | 109.5° |
| N1 | C3 | C5 | 113.7° | 109.5° |
| N1 | C3 | H5 | 110.3° | 109.5° |
| C3 | N1 | C1 | 120.4° | 119.9° |
| H4 | N1 | C1 | 119.8° | 120.1° |
| C4 | C3 | C5 | 103.3° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.4° |
| C3 | C4 | O2 | 121.3° | 120.0° |
| C3 | C4 | N2 | 116.0° | 120.0° |
| C5 | C3 | H5 | 109.1° | 109.4° |
| C3 | C5 | C6 | 119.6° | 109.5° |
| C3 | C5 | H6 | 106.9° | 109.4° |
| C3 | C5 | H7 | 106.9° | 109.4° |
| O2 | C4 | N2 | 122.8° | 120.0° |
| C6 | C5 | H6 | 106.9° | 109.5° |
| C6 | C5 | H7 | 106.9° | 109.5° |
| C5 | C6 | C7 | 112.4° | 109.5° |
| C5 | C6 | C8 | 110.1° | 109.5° |
| C5 | C6 | H8 | 107.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | C8 | 111.6° | 109.5° |
| C7 | C6 | H8 | 107.5° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.4° |
| C8 | C6 | H8 | 107.6° | 109.4° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.4° |
| C6 | C8 | H14 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 120.3° | 120.0° |
| N2 | C9 | C10 | 104.7° | 109.4° |
| N2 | C9 | C11 | 115.8° | 109.5° |
| N2 | C9 | H16 | 109.4° | 109.5° |
| C9 | N2 | C4 | 119.4° | 120.0° |
| H15 | N2 | C4 | 120.3° | 120.0° |
| C10 | C9 | C11 | 110.2° | 109.5° |
| C10 | C9 | H16 | 108.4° | 109.4° |
| C9 | C10 | O3 | 121.5° | 120.0° |
| C9 | C10 | N3 | 115.0° | 120.0° |
| C11 | C9 | H16 | 108.2° | 109.5° |
| C9 | C11 | C12 | 111.0° | 109.4° |
| C9 | C11 | H17 | 109.1° | 109.4° |
| C9 | C11 | H18 | 109.1° | 109.4° |
| O3 | C10 | N3 | 123.4° | 120.0° |
| C12 | C11 | H17 | 109.1° | 109.5° |
| C12 | C11 | H18 | 109.1° | 109.5° |
| C11 | C12 | C13 | 113.2° | 109.5° |
| C11 | C12 | H19 | 108.5° | 109.5° |
| C11 | C12 | H20 | 108.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C13 | C12 | H19 | 108.5° | 109.4° |
| C13 | C12 | H20 | 108.5° | 109.4° |
| C12 | C13 | O4 | 118.3° | 119.9° |
| C12 | C13 | O5 | 118.5° | 120.0° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| O4 | C13 | O5 | 123.2° | 120.0° |
| C13 | O5 | H21 | 109.5° | 117.0° |
| C14 | N3 | H22 | 119.8° | 120.0° |
| N3 | C14 | C15 | 107.2° | 109.5° |
| N3 | C14 | C16 | 111.2° | 109.4° |
| N3 | C14 | H23 | 109.3° | 109.4° |
| C14 | N3 | C10 | 120.4° | 120.0° |
| H22 | N3 | C10 | 119.8° | 120.0° |
| C15 | C14 | C16 | 112.5° | 109.5° |
| C15 | C14 | H23 | 108.4° | 109.5° |
| C14 | C15 | O6 | 120.5° | 120.0° |
| C14 | C15 | N4 | 116.9° | 120.0° |
| C16 | C14 | H23 | 108.2° | 109.5° |
| C14 | C16 | H24 | 109.5° | 109.4° |
| C14 | C16 | H25 | 109.5° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| O6 | C15 | N4 | 122.6° | 120.0° |
| H24 | C16 | H25 | 109.4° | 109.5° |
| H24 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.4° |
| C17 | N4 | H27 | 119.9° | 120.0° |
| N4 | C17 | C18 | 113.7° | 109.4° |
| N4 | C17 | C19 | 109.6° | 109.5° |
| N4 | C17 | H28 | 109.1° | 109.5° |
| C17 | N4 | C15 | 120.2° | 120.0° |
| H27 | N4 | C15 | 119.9° | 120.1° |
| C18 | C17 | C19 | 108.2° | 109.5° |
| C18 | C17 | H28 | 108.1° | 109.4° |
| C17 | C18 | O7 | 121.2° | 120.0° |
| C17 | C18 | N5 | 115.7° | 120.0° |
| C19 | C17 | H28 | 108.1° | 109.5° |
| C17 | C19 | C20 | 113.5° | 109.5° |
| C17 | C19 | H29 | 108.4° | 109.5° |
| C17 | C19 | H30 | 108.4° | 109.5° |
| O7 | C18 | N5 | 123.0° | 120.0° |
| C20 | C19 | H29 | 108.5° | 109.5° |
| C20 | C19 | H30 | 108.4° | 109.5° |
| C19 | C20 | C21 | 109.7° | 109.5° |
| C19 | C20 | C22 | 110.2° | 109.5° |
| C19 | C20 | H31 | 108.6° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| C21 | C20 | C22 | 111.3° | 109.5° |
| C21 | C20 | H31 | 108.5° | 109.5° |
| C20 | C21 | H32 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C22 | C20 | H31 | 108.6° | 109.5° |
| C20 | C22 | H35 | 109.5° | 109.5° |
| C20 | C22 | H36 | 109.5° | 109.5° |
| C20 | C22 | H37 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
| H32 | C21 | H34 | 109.5° | 109.4° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.4° |
| H35 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.4° | 109.5° |
| C23 | N5 | H38 | 120.1° | 120.0° |
| N5 | C23 | C24 | 107.2° | 109.5° |
| N5 | C23 | C25 | 112.5° | 109.5° |
| N5 | C23 | H39 | 110.4° | 109.5° |
| C23 | N5 | C18 | 119.8° | 120.0° |
| H38 | N5 | C18 | 120.1° | 120.0° |
| C24 | C23 | C25 | 108.1° | 109.4° |
| C24 | C23 | H39 | 109.4° | 109.5° |
| C23 | C24 | O8 | 119.5° | 120.0° |
| C23 | C24 | N6 | 118.6° | 120.0° |
| C25 | C23 | H39 | 109.2° | 109.5° |
| C23 | C25 | C26 | 115.6° | 109.5° |
| C23 | C25 | H40 | 107.9° | 109.5° |
| C23 | C25 | H41 | 107.9° | 109.5° |
| O8 | C24 | N6 | 121.8° | 120.0° |
| C26 | C25 | H40 | 107.9° | 109.4° |
| C26 | C25 | H41 | 107.9° | 109.4° |
| C25 | C26 | C27 | 121.3° | 120.0° |
| C25 | C26 | C28 | 119.8° | 120.0° |
| H40 | C25 | H41 | 109.4° | 109.5° |
| C27 | C26 | C28 | 118.9° | 120.0° |
| C26 | C27 | C29 | 120.5° | 120.0° |
| C26 | C27 | H42 | 119.8° | 119.9° |
| C26 | C28 | C30 | 120.8° | 120.0° |
| C26 | C28 | H43 | 119.6° | 120.0° |
| C29 | C27 | H42 | 119.8° | 120.1° |
| C27 | C29 | C31 | 120.1° | 120.0° |
| C27 | C29 | H44 | 120.0° | 120.0° |
| C30 | C28 | H43 | 119.6° | 120.1° |
| C28 | C30 | C31 | 120.0° | 120.0° |
| C28 | C30 | H45 | 120.0° | 119.9° |
| C31 | C29 | H44 | 120.0° | 120.0° |
| C29 | C31 | C30 | 119.8° | 120.0° |
| C29 | C31 | H46 | 120.1° | 120.0° |
| C31 | C30 | H45 | 120.0° | 120.0° |
| C30 | C31 | H46 | 120.1° | 120.0° |
| C32 | N6 | H47 | 120.6° | 120.0° |
| N6 | C32 | C33 | 110.4° | 109.5° |
| N6 | C32 | H48 | 106.9° | 109.5° |
| N6 | C32 | C36 | 113.9° | 109.5° |
| C32 | N6 | C24 | 118.8° | 120.0° |
| H47 | N6 | C24 | 120.6° | 120.0° |
| C33 | C32 | H48 | 105.9° | 109.4° |
| C32 | C33 | C34 | 112.5° | 109.5° |
| C32 | C33 | H49 | 108.7° | 109.4° |
| C32 | C33 | H50 | 108.7° | 109.5° |
| C33 | C32 | C36 | 113.4° | 109.5° |
| H48 | C32 | C36 | 105.7° | 109.5° |
| C34 | C33 | H49 | 108.7° | 109.5° |
| C34 | C33 | H50 | 108.7° | 109.4° |
| C33 | C34 | C35 | 113.8° | 109.5° |
| C33 | C34 | H51 | 108.4° | 109.5° |
| C33 | C34 | H52 | 108.4° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| C35 | C34 | H51 | 108.4° | 109.5° |
| C35 | C34 | H52 | 108.4° | 109.5° |
| C34 | C35 | O9 | 121.0° | 120.1° |
| C34 | C35 | N7 | 116.7° | 120.0° |
| H51 | C34 | H52 | 109.5° | 109.5° |
| O9 | C35 | N7 | 122.3° | 120.0° |
| C35 | N7 | H53 | 120.0° | 119.9° |
| C35 | N7 | H54 | 120.0° | 120.0° |
| H53 | N7 | H54 | 120.0° | 120.1° |
| C37 | C36 | H55 | 110.3° | 109.5° |
| C37 | C36 | H56 | 110.2° | 109.5° |
| C36 | C37 | C38 | 114.0° | 109.5° |
| C36 | C37 | H57 | 108.3° | 109.5° |
| C36 | C37 | H58 | 108.3° | 109.5° |
| C37 | C36 | C32 | 106.4° | 109.5° |
| H55 | C36 | H56 | 109.4° | 109.5° |
| H55 | C36 | C32 | 110.2° | 109.5° |
| H56 | C36 | C32 | 110.3° | 109.4° |
| C38 | C37 | H57 | 108.3° | 109.4° |
| C38 | C37 | H58 | 108.3° | 109.5° |
| C37 | C38 | O10 | 120.2° | 120.0° |
| C37 | C38 | O11 | 117.0° | 120.0° |
| H57 | C37 | H58 | 109.5° | 109.5° |
| O10 | C38 | O11 | 122.8° | 120.0° |
| C38 | O11 | C39 | 124.2° | 117.0° |
| O11 | C39 | C40 | 120.6° | 109.5° |
| O11 | C39 | H59 | 106.6° | 109.5° |
| O11 | C39 | H60 | 106.7° | 109.4° |
| C40 | C39 | H59 | 106.6° | 109.5° |
| C40 | C39 | H60 | 106.6° | 109.5° |
| C39 | C40 | H61 | 109.5° | 109.5° |
| C39 | C40 | H62 | 109.5° | 109.4° |
| C39 | C40 | H63 | 109.5° | 109.5° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| H61 | C40 | H62 | 109.5° | 109.5° |
| H61 | C40 | H63 | 109.4° | 109.5° |
| H62 | C40 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 166.4° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 12.4° | 0.1° |
| O1 | C1 | N1 | H4 | 167.6° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 178.5° | 179.7° |
| C2 | C1 | N1 | H4 | 1.5° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 166.4° | 179.7° |
| H2 | C2 | C1 | N1 | 46.4° | 59.7° |
| H3 | C2 | C1 | N1 | 73.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 122.0° | 120.0° |
| N1 | C3 | C4 | H5 | 121.8° | 120.0° |
| N1 | C3 | C5 | H5 | 123.6° | 120.0° |
| N1 | C3 | C4 | O2 | 32.5° | 20.1° |
| N1 | C3 | C5 | C6 | 66.5° | 63.0° |
| N1 | C3 | C5 | H6 | 54.9° | 57.0° |
| N1 | C3 | C5 | H7 | 172.0° | 177.0° |
| N1 | C3 | C4 | N2 | 147.3° | 160.0° |
| H4 | N1 | C3 | C4 | 50.3° | 120.0° |
| H4 | N1 | C3 | C5 | 65.3° | 120.0° |
| H4 | N1 | C3 | H5 | 171.7° | 0.0° |
| C4 | C3 | C5 | H5 | 116.6° | 119.9° |
| C3 | C4 | O2 | N2 | 179.9° | 179.9° |
| C4 | C3 | C5 | C6 | 173.7° | 177.0° |
| C4 | C3 | C5 | H6 | 64.9° | 63.0° |
| C4 | C3 | C5 | H7 | 52.3° | 57.0° |
| C3 | C4 | N2 | C9 | 171.5° | 180.0° |
| C3 | C4 | N2 | H15 | 8.5° | 0.1° |
| C4 | C3 | N1 | C1 | 129.6° | 60.0° |
| C5 | C3 | C4 | O2 | 89.4° | 100.0° |
| C3 | C5 | C6 | H6 | 121.4° | 120.0° |
| C3 | C5 | C6 | H7 | 121.4° | 120.0° |
| C3 | C5 | H6 | H7 | 115.5° | 120.0° |
| C3 | C5 | C6 | C7 | 40.1° | 174.2° |
| C3 | C5 | C6 | C8 | 85.1° | 65.8° |
| C3 | C5 | C6 | H8 | 158.1° | 54.2° |
| C5 | C3 | N1 | C1 | 114.7° | 60.0° |
| C5 | C3 | C4 | N2 | 90.7° | 79.9° |
| H5 | C3 | C4 | O2 | 154.3° | 140.1° |
| H5 | C3 | C5 | C6 | 57.1° | 57.0° |
| H5 | C3 | C5 | H6 | 178.5° | 177.0° |
| H5 | C3 | C5 | H7 | 64.3° | 62.9° |
| H5 | C3 | N1 | C1 | 8.2° | 180.0° |
| H5 | C3 | C4 | N2 | 25.6° | 40.0° |
| O2 | C4 | N2 | C9 | 8.6° | 0.1° |
| O2 | C4 | N2 | H15 | 171.4° | 179.9° |
| C6 | C5 | H6 | H7 | 115.4° | 120.0° |
| C5 | C6 | C7 | C8 | 124.3° | 120.0° |
| C5 | C6 | C7 | H8 | 118.0° | 120.0° |
| C5 | C6 | C8 | H8 | 116.7° | 120.0° |
| C5 | C6 | C7 | H9 | 180.0° | 178.0° |
| C5 | C6 | C7 | H10 | 60.0° | 61.9° |
| C5 | C6 | C7 | H11 | 60.0° | 58.0° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 180.0° |
| C5 | C6 | C8 | H14 | 60.0° | 60.0° |
| H6 | C5 | C6 | C7 | 161.5° | 54.2° |
| H6 | C5 | C6 | C8 | 36.4° | 174.2° |
| H6 | C5 | C6 | H8 | 80.5° | 65.8° |
| H7 | C5 | C6 | C7 | 81.4° | 65.9° |
| H7 | C5 | C6 | C8 | 153.5° | 54.1° |
| H7 | C5 | C6 | H8 | 36.6° | 174.1° |
| C7 | C6 | C8 | H8 | 117.7° | 120.0° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 119.9° |
| C7 | C6 | C8 | H12 | 54.4° | 180.0° |
| C7 | C6 | C8 | H13 | 65.6° | 60.0° |
| C7 | C6 | C8 | H14 | 174.5° | 60.0° |
| C8 | C6 | C7 | H9 | 55.7° | 58.0° |
| C8 | C6 | C7 | H10 | 175.7° | 178.1° |
| C8 | C6 | C7 | H11 | 64.3° | 62.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 120.0° |
| H8 | C6 | C7 | H9 | 62.0° | 62.0° |
| H8 | C6 | C7 | H10 | 58.0° | 58.1° |
| H8 | C6 | C7 | H11 | 178.0° | 178.0° |
| H8 | C6 | C8 | H12 | 63.3° | 60.0° |
| H8 | C6 | C8 | H13 | 176.7° | 60.0° |
| H8 | C6 | C8 | H14 | 56.7° | 180.0° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 125.1° | 120.0° |
| N2 | C9 | C10 | H16 | 116.7° | 119.9° |
| N2 | C9 | C11 | H16 | 123.1° | 120.0° |
| N2 | C9 | C10 | O3 | 94.3° | 0.0° |
| N2 | C9 | C11 | C12 | 178.9° | 65.0° |
| N2 | C9 | C11 | H17 | 58.7° | 55.0° |
| N2 | C9 | C11 | H18 | 60.9° | 175.0° |
| N2 | C9 | C10 | N3 | 81.4° | 180.0° |
| H15 | N2 | C9 | C10 | 64.4° | 25.0° |
| H15 | N2 | C9 | C11 | 57.1° | 95.0° |
| H15 | N2 | C9 | H16 | 179.6° | 144.9° |
| C10 | C9 | C11 | H16 | 118.4° | 120.0° |
| C9 | C10 | O3 | N3 | 175.4° | 180.0° |
| C10 | C9 | C11 | C12 | 62.6° | 175.0° |
| C10 | C9 | C11 | H17 | 177.2° | 65.0° |
| C10 | C9 | C11 | H18 | 57.6° | 55.0° |
| C9 | C10 | N3 | C14 | 179.8° | 180.0° |
| C9 | C10 | N3 | H22 | 0.2° | 0.1° |
| C10 | C9 | N2 | C4 | 115.7° | 155.0° |
| C11 | C9 | C10 | O3 | 30.8° | 120.0° |
| C9 | C11 | C12 | H17 | 120.2° | 119.9° |
| C9 | C11 | C12 | H18 | 120.2° | 120.0° |
| C9 | C11 | H17 | H18 | 119.3° | 119.9° |
| C9 | C11 | C12 | C13 | 176.3° | 180.0° |
| C9 | C11 | C12 | H19 | 55.7° | 60.0° |
| C9 | C11 | C12 | H20 | 63.2° | 60.0° |
| C11 | C9 | N2 | C4 | 122.8° | 85.0° |
| C11 | C9 | C10 | N3 | 153.5° | 60.0° |
| H16 | C9 | C10 | O3 | 149.0° | 120.0° |
| H16 | C9 | C11 | C12 | 55.8° | 55.1° |
| H16 | C9 | C11 | H17 | 64.4° | 175.0° |
| H16 | C9 | C11 | H18 | 176.0° | 65.0° |
| H16 | C9 | N2 | C4 | 0.3° | 35.1° |
| H16 | C9 | C10 | N3 | 35.2° | 60.1° |
| O3 | C10 | N3 | C14 | 4.5° | 0.0° |
| O3 | C10 | N3 | H22 | 175.5° | 180.0° |
| C12 | C11 | H17 | H18 | 119.3° | 120.1° |
| C11 | C12 | C13 | H19 | 120.5° | 120.1° |
| C11 | C12 | C13 | H20 | 120.5° | 120.0° |
| C11 | C12 | H19 | H20 | 118.3° | 120.1° |
| C11 | C12 | C13 | O4 | 86.7° | 0.0° |
| C11 | C12 | C13 | O5 | 93.1° | 180.0° |
| H17 | C11 | C12 | C13 | 63.5° | 60.0° |
| H17 | C11 | C12 | H19 | 175.9° | 180.0° |
| H17 | C11 | C12 | H20 | 57.0° | 59.9° |
| H18 | C11 | C12 | C13 | 56.0° | 60.1° |
| H18 | C11 | C12 | H19 | 64.5° | 59.9° |
| H18 | C11 | C12 | H20 | 176.6° | NaN° |
| C13 | C12 | H19 | H20 | 118.3° | 119.9° |
| C12 | C13 | O4 | O5 | 179.8° | 179.9° |
| C12 | C13 | O5 | H21 | 179.8° | 180.0° |
| H19 | C12 | C13 | O4 | 152.8° | 120.0° |
| H19 | C12 | C13 | O5 | 27.4° | 59.9° |
| H20 | C12 | C13 | O4 | 33.9° | 120.1° |
| H20 | C12 | C13 | O5 | 146.4° | 60.0° |
| O4 | C13 | O5 | H21 | 0.0° | 0.0° |
| C14 | N3 | H22 | C10 | 180.0° | 179.9° |
| N3 | C14 | C15 | C16 | 122.5° | 120.0° |
| N3 | C14 | C15 | H23 | 117.9° | 120.0° |
| N3 | C14 | C16 | H23 | 120.1° | 120.0° |
| N3 | C14 | C15 | O6 | 29.1° | 0.0° |
| N3 | C14 | C16 | H24 | 180.0° | 180.0° |
| N3 | C14 | C16 | H25 | 60.0° | 60.0° |
| N3 | C14 | C16 | H26 | 60.0° | 60.0° |
| N3 | C14 | C15 | N4 | 149.1° | 180.0° |
| H22 | N3 | C14 | C15 | 99.0° | 25.0° |
| H22 | N3 | C14 | C16 | 24.3° | 94.9° |
| H22 | N3 | C14 | H23 | 143.7° | 145.0° |
| C15 | C14 | C16 | H23 | 119.7° | 120.1° |
| C14 | C15 | O6 | N4 | 178.2° | 180.0° |
| C15 | C14 | C16 | H24 | 59.8° | 60.0° |
| C15 | C14 | C16 | H25 | 179.8° | 180.0° |
| C15 | C14 | C16 | H26 | 60.2° | 60.0° |
| C14 | C15 | N4 | C17 | 177.0° | 180.0° |
| C14 | C15 | N4 | H27 | 3.1° | 0.0° |
| C15 | C14 | N3 | C10 | 81.0° | 155.0° |
| C16 | C14 | C15 | O6 | 93.4° | 120.0° |
| C14 | C16 | H24 | H25 | 120.0° | 120.0° |
| C14 | C16 | H24 | H26 | 120.0° | 120.0° |
| C14 | C16 | H25 | H26 | 120.0° | 120.0° |
| C16 | C14 | N3 | C10 | 155.7° | 85.0° |
| C16 | C14 | C15 | N4 | 88.3° | 60.1° |
| H23 | C14 | C15 | O6 | 147.0° | 119.9° |
| H23 | C14 | C16 | H24 | 59.9° | 60.0° |
| H23 | C14 | C16 | H25 | 60.1° | 60.0° |
| H23 | C14 | C16 | H26 | 179.9° | 179.9° |
| H23 | C14 | N3 | C10 | 36.3° | 35.0° |
| H23 | C14 | C15 | N4 | 31.2° | 60.0° |
| O6 | C15 | N4 | C17 | 1.2° | 0.0° |
| O6 | C15 | N4 | H27 | 178.7° | 180.0° |
| H24 | C16 | H25 | H26 | 120.0° | 120.0° |
| C17 | N4 | H27 | C15 | 180.0° | 180.0° |
| N4 | C17 | C18 | C19 | 122.0° | 120.0° |
| N4 | C17 | C18 | H28 | 121.2° | 120.0° |
| N4 | C17 | C19 | H28 | 118.7° | 120.1° |
| N4 | C17 | C18 | O7 | 26.6° | 0.0° |
| N4 | C17 | C19 | C20 | 173.3° | 65.1° |
| N4 | C17 | C19 | H29 | 66.1° | 54.9° |
| N4 | C17 | C19 | H30 | 52.7° | 175.0° |
| N4 | C17 | C18 | N5 | 153.0° | 180.0° |
| H27 | N4 | C17 | C18 | 76.2° | 25.0° |
| H27 | N4 | C17 | C19 | 45.0° | 95.0° |
| H27 | N4 | C17 | H28 | 163.2° | 145.0° |
| C18 | C17 | C19 | H28 | 116.8° | 120.0° |
| C17 | C18 | O7 | N5 | 179.5° | 180.0° |
| C18 | C17 | C19 | C20 | 48.8° | 175.0° |
| C18 | C17 | C19 | H29 | 169.4° | 65.0° |
| C18 | C17 | C19 | H30 | 71.7° | 55.0° |
| C17 | C18 | N5 | C23 | 176.1° | 180.0° |
| C17 | C18 | N5 | H38 | 3.9° | 0.0° |
| C18 | C17 | N4 | C15 | 103.8° | 155.0° |
| C19 | C17 | C18 | O7 | 95.4° | 120.0° |
| C17 | C19 | C20 | H29 | 120.6° | 120.0° |
| C17 | C19 | C20 | H30 | 120.6° | 120.0° |
| C17 | C19 | H29 | H30 | 118.2° | 120.0° |
| C17 | C19 | C20 | C21 | 70.5° | 175.0° |
| C17 | C19 | C20 | C22 | 166.7° | 65.0° |
| C17 | C19 | C20 | H31 | 47.9° | 55.0° |
| C19 | C17 | N4 | C15 | 135.0° | 85.0° |
| C19 | C17 | C18 | N5 | 85.1° | 60.0° |
| H28 | C17 | C18 | O7 | 147.8° | 120.0° |
| H28 | C17 | C19 | C20 | 68.0° | 55.0° |
| H28 | C17 | C19 | H29 | 52.6° | 175.0° |
| H28 | C17 | C19 | H30 | 171.4° | 64.9° |
| H28 | C17 | N4 | C15 | 16.9° | 35.0° |
| H28 | C17 | C18 | N5 | 31.8° | 60.0° |
| O7 | C18 | N5 | C23 | 4.4° | 0.0° |
| O7 | C18 | N5 | H38 | 175.6° | 180.0° |
| C20 | C19 | H29 | H30 | 118.2° | 120.0° |
| C19 | C20 | C21 | C22 | 122.2° | 120.0° |
| C19 | C20 | C21 | H31 | 118.5° | 119.9° |
| C19 | C20 | C22 | H31 | 118.8° | 120.0° |
| C19 | C20 | C21 | H32 | 180.0° | 60.0° |
| C19 | C20 | C21 | H33 | 60.0° | 180.0° |
| C19 | C20 | C21 | H34 | 60.0° | 60.0° |
| C19 | C20 | C22 | H35 | 180.0° | 60.0° |
| C19 | C20 | C22 | H36 | 60.0° | 179.9° |
| C19 | C20 | C22 | H37 | 60.0° | 60.0° |
| H29 | C19 | C20 | C21 | 50.1° | 55.0° |
| H29 | C19 | C20 | C22 | 72.7° | 175.0° |
| H29 | C19 | C20 | H31 | 168.5° | 65.0° |
| H30 | C19 | C20 | C21 | 168.9° | 65.1° |
| H30 | C19 | C20 | C22 | 46.1° | 55.0° |
| H30 | C19 | C20 | H31 | 72.7° | 175.0° |
| C21 | C20 | C22 | H31 | 119.3° | 120.1° |
| C20 | C21 | H32 | H33 | 120.0° | 120.0° |
| C20 | C21 | H32 | H34 | 120.0° | 120.1° |
| C20 | C21 | H33 | H34 | 120.0° | 120.0° |
| C21 | C20 | C22 | H35 | 58.2° | 180.0° |
| C21 | C20 | C22 | H36 | 61.9° | 60.1° |
| C21 | C20 | C22 | H37 | 178.2° | 60.0° |
| C22 | C20 | C21 | H32 | 57.8° | 60.0° |
| C22 | C20 | C21 | H33 | 177.9° | 60.0° |
| C22 | C20 | C21 | H34 | 62.2° | 180.0° |
| C20 | C22 | H35 | H36 | 120.0° | 120.0° |
| C20 | C22 | H35 | H37 | 120.0° | 120.1° |
| C20 | C22 | H36 | H37 | 120.0° | 120.1° |
| H31 | C20 | C21 | H32 | 61.5° | 180.0° |
| H31 | C20 | C21 | H33 | 58.5° | 60.1° |
| H31 | C20 | C21 | H34 | 178.5° | 59.9° |
| H31 | C20 | C22 | H35 | 61.2° | 59.9° |
| H31 | C20 | C22 | H36 | 178.8° | 60.0° |
| H31 | C20 | C22 | H37 | 58.8° | 180.0° |
| H32 | C21 | H33 | H34 | 120.0° | 120.0° |
| H35 | C22 | H36 | H37 | 120.0° | 120.0° |
| C23 | N5 | H38 | C18 | 180.0° | 179.9° |
| N5 | C23 | C24 | C25 | 121.5° | 120.0° |
| N5 | C23 | C24 | H39 | 119.7° | 120.0° |
| N5 | C23 | C25 | H39 | 122.8° | 120.0° |
| N5 | C23 | C24 | O8 | 35.4° | 0.1° |
| N5 | C23 | C25 | C26 | 59.6° | 65.0° |
| N5 | C23 | C25 | H40 | 61.3° | 54.9° |
| N5 | C23 | C25 | H41 | 179.5° | 175.0° |
| N5 | C23 | C24 | N6 | 145.0° | 180.0° |
| H38 | N5 | C23 | C24 | 118.8° | 24.9° |
| H38 | N5 | C23 | C25 | 0.0° | 95.0° |
| H38 | N5 | C23 | H39 | 122.2° | 144.9° |
| C24 | C23 | C25 | H39 | 118.9° | 120.0° |
| C23 | C24 | O8 | N6 | 179.5° | 179.9° |
| C24 | C23 | C25 | C26 | 177.8° | 175.0° |
| C24 | C23 | C25 | H40 | 56.9° | 65.0° |
| C24 | C23 | C25 | H41 | 61.3° | 55.0° |
| C23 | C24 | N6 | C32 | 179.5° | 180.0° |
| C23 | C24 | N6 | H47 | 0.5° | 0.1° |
| C24 | C23 | N5 | C18 | 61.2° | 155.0° |
| C25 | C23 | C24 | O8 | 86.1° | 120.0° |
| C23 | C25 | C26 | H40 | 120.9° | 120.0° |
| C23 | C25 | C26 | H41 | 120.9° | 120.0° |
| C23 | C25 | H40 | H41 | 117.2° | 120.1° |
| C23 | C25 | C26 | C27 | 47.7° | 90.0° |
| C23 | C25 | C26 | C28 | 133.8° | 90.3° |
| C25 | C23 | N5 | C18 | 180.0° | 85.0° |
| C25 | C23 | C24 | N6 | 93.5° | 60.0° |
| H39 | C23 | C24 | O8 | 155.1° | 120.0° |
| H39 | C23 | C25 | C26 | 63.3° | 55.0° |
| H39 | C23 | C25 | H40 | 175.8° | 175.0° |
| H39 | C23 | C25 | H41 | 57.6° | 65.0° |
| H39 | C23 | N5 | C18 | 57.8° | 35.0° |
| H39 | C23 | C24 | N6 | 25.4° | 60.0° |
| O8 | C24 | N6 | C32 | 1.0° | 0.0° |
| O8 | C24 | N6 | H47 | 179.0° | 180.0° |
| C26 | C25 | H40 | H41 | 117.2° | 119.9° |
| C25 | C26 | C27 | C28 | 178.5° | 179.8° |
| C25 | C26 | C27 | C29 | 178.7° | 180.0° |
| C25 | C26 | C27 | H42 | 1.3° | 0.1° |
| C25 | C26 | C28 | C30 | 178.3° | 180.0° |
| C25 | C26 | C28 | H43 | 1.7° | 0.1° |
| H40 | C25 | C26 | C27 | 168.5° | 30.0° |
| H40 | C25 | C26 | C28 | 12.9° | 149.7° |
| H41 | C25 | C26 | C27 | 73.3° | 150.0° |
| H41 | C25 | C26 | C28 | 105.3° | 29.8° |
| C26 | C27 | C29 | H42 | 180.0° | 180.0° |
| C27 | C26 | C28 | C30 | 0.2° | 0.3° |
| C27 | C26 | C28 | H43 | 179.8° | 179.7° |
| C26 | C27 | C29 | C31 | 0.4° | 0.0° |
| C26 | C27 | C29 | H44 | 179.6° | 180.0° |
| C28 | C26 | C27 | C29 | 0.2° | 0.3° |
| C28 | C26 | C27 | H42 | 179.9° | 179.7° |
| C26 | C28 | C30 | H43 | 180.0° | 179.9° |
| C26 | C28 | C30 | C31 | 0.4° | 0.0° |
| C26 | C28 | C30 | H45 | 179.6° | 180.0° |
| C27 | C29 | C31 | H44 | 180.0° | 180.0° |
| C27 | C29 | C31 | C30 | 0.2° | 0.2° |
| C27 | C29 | C31 | H46 | 179.8° | 179.9° |
| H42 | C27 | C29 | C31 | 179.7° | 179.9° |
| H42 | C27 | C29 | H44 | 0.3° | 0.1° |
| C28 | C30 | C31 | C29 | 0.2° | 0.2° |
| C28 | C30 | C31 | H45 | 180.0° | 180.0° |
| C28 | C30 | C31 | H46 | 179.8° | 179.9° |
| H43 | C28 | C30 | C31 | 179.6° | 179.9° |
| H43 | C28 | C30 | H45 | 0.4° | 0.1° |
| C29 | C31 | C30 | H46 | 180.0° | 179.9° |
| C29 | C31 | C30 | H45 | 179.8° | 179.8° |
| H44 | C29 | C31 | C30 | 179.8° | 179.8° |
| H44 | C29 | C31 | H46 | 0.2° | 0.1° |
| H45 | C30 | C31 | H46 | 0.2° | 0.1° |
| C32 | N6 | H47 | C24 | 180.0° | 180.0° |
| N6 | C32 | C33 | H48 | 115.4° | 120.0° |
| N6 | C32 | C33 | C36 | 129.2° | 120.0° |
| N6 | C32 | H48 | C36 | 121.7° | 120.0° |
| N6 | C32 | C33 | C34 | 72.3° | 65.0° |
| N6 | C32 | C33 | H49 | 48.2° | 55.0° |
| N6 | C32 | C33 | H50 | 167.3° | 175.0° |
| N6 | C32 | C36 | C37 | 96.9° | 65.0° |
| N6 | C32 | C36 | H55 | 22.6° | 175.0° |
| N6 | C32 | C36 | H56 | 143.6° | 55.1° |
| H47 | N6 | C32 | C33 | 71.2° | 95.0° |
| H47 | N6 | C32 | H48 | 174.0° | 145.0° |
| H47 | N6 | C32 | C36 | 57.7° | 25.0° |
| C33 | C32 | H48 | C36 | 120.6° | 120.0° |
| C32 | C33 | C34 | H49 | 120.5° | 120.0° |
| C32 | C33 | C34 | H50 | 120.5° | 120.0° |
| C32 | C33 | H49 | H50 | 118.6° | 120.0° |
| C32 | C33 | C34 | C35 | 178.1° | 180.0° |
| C32 | C33 | C34 | H51 | 61.3° | 60.0° |
| C32 | C33 | C34 | H52 | 57.4° | 60.0° |
| C33 | C32 | C36 | C37 | 135.7° | 174.9° |
| C33 | C32 | C36 | H55 | 104.8° | 55.0° |
| C33 | C32 | C36 | H56 | 16.2° | 65.0° |
| C33 | C32 | N6 | C24 | 108.8° | 85.0° |
| H48 | C32 | C33 | C34 | 43.1° | 55.0° |
| H48 | C32 | C33 | H49 | 163.6° | 175.0° |
| H48 | C32 | C33 | H50 | 77.3° | 65.0° |
| H48 | C32 | C36 | C37 | 20.1° | 55.0° |
| H48 | C32 | C36 | H55 | 139.7° | 65.0° |
| H48 | C32 | C36 | H56 | 99.4° | 175.1° |
| H48 | C32 | N6 | C24 | 6.0° | 35.0° |
| C34 | C33 | H49 | H50 | 118.6° | 120.0° |
| C33 | C34 | C35 | H51 | 120.6° | 120.0° |
| C33 | C34 | C35 | H52 | 120.6° | 120.0° |
| C33 | C34 | H51 | H52 | 118.0° | 120.0° |
| C33 | C34 | C35 | O9 | 21.3° | 0.0° |
| C33 | C34 | C35 | N7 | 159.6° | 180.0° |
| C34 | C33 | C32 | C36 | 158.5° | 175.0° |
| H49 | C33 | C34 | C35 | 57.6° | 60.0° |
| H49 | C33 | C34 | H51 | 178.2° | 180.0° |
| H49 | C33 | C34 | H52 | 63.1° | 60.0° |
| H49 | C33 | C32 | C36 | 81.0° | 65.0° |
| H50 | C33 | C34 | C35 | 61.5° | 60.0° |
| H50 | C33 | C34 | H51 | 59.1° | 60.0° |
| H50 | C33 | C34 | H52 | 177.9° | 180.0° |
| H50 | C33 | C32 | C36 | 38.1° | 55.0° |
| C35 | C34 | H51 | H52 | 118.0° | 120.0° |
| C34 | C35 | O9 | N7 | 179.0° | 180.0° |
| C34 | C35 | N7 | H53 | 179.1° | 0.0° |
| C34 | C35 | N7 | H54 | 0.9° | 180.0° |
| H51 | C34 | C35 | O9 | 142.0° | 120.0° |
| H51 | C34 | C35 | N7 | 38.9° | 60.0° |
| H52 | C34 | C35 | O9 | 99.3° | 120.0° |
| H52 | C34 | C35 | N7 | 79.8° | 60.0° |
| O9 | C35 | N7 | H53 | 0.0° | 180.0° |
| O9 | C35 | N7 | H54 | 180.0° | 0.1° |
| C35 | N7 | H53 | H54 | 180.0° | 180.0° |
| C37 | C36 | H55 | H56 | 121.4° | 120.1° |
| C37 | C36 | H55 | C32 | 117.2° | 120.0° |
| C37 | C36 | H56 | C32 | 117.2° | 120.0° |
| C36 | C37 | C38 | H57 | 120.7° | 120.0° |
| C36 | C37 | C38 | H58 | 120.7° | 120.1° |
| C36 | C37 | H57 | H58 | 117.9° | 120.1° |
| C36 | C37 | C38 | O10 | 0.4° | 0.1° |
| C36 | C37 | C38 | O11 | 179.4° | 180.0° |
| H55 | C36 | H56 | C32 | 121.4° | 120.0° |
| H55 | C36 | C37 | C38 | 73.9° | 60.1° |
| H55 | C36 | C37 | H57 | 46.8° | NaN° |
| H55 | C36 | C37 | H58 | 165.5° | 60.0° |
| H56 | C36 | C37 | C38 | 47.1° | 60.0° |
| H56 | C36 | C37 | H57 | 167.8° | 60.0° |
| H56 | C36 | C37 | H58 | 73.6° | 180.0° |
| C38 | C37 | H57 | H58 | 117.9° | 120.0° |
| C37 | C38 | O10 | O11 | 179.8° | 179.9° |
| C37 | C38 | O11 | C39 | 179.4° | 180.0° |
| C38 | C37 | C36 | C32 | 166.6° | 180.0° |
| H57 | C37 | C38 | O10 | 120.3° | 120.1° |
| H57 | C37 | C38 | O11 | 59.9° | 60.0° |
| H57 | C37 | C36 | C32 | 72.7° | 60.0° |
| H58 | C37 | C38 | O10 | 121.0° | 120.0° |
| H58 | C37 | C38 | O11 | 58.8° | 59.9° |
| H58 | C37 | C36 | C32 | 45.9° | 60.0° |
| O10 | C38 | O11 | C39 | 0.4° | 0.0° |
| C38 | O11 | C39 | C40 | 179.2° | 180.0° |
| C38 | O11 | C39 | H59 | 57.7° | 60.0° |
| C38 | O11 | C39 | H60 | 59.2° | 60.0° |
| O11 | C39 | C40 | H59 | 121.6° | 120.0° |
| O11 | C39 | C40 | H60 | 121.6° | 120.0° |
| O11 | C39 | H59 | H60 | 115.0° | 120.0° |
| O11 | C39 | C40 | H61 | 180.0° | 60.0° |
| O11 | C39 | C40 | H62 | 60.0° | 180.0° |
| O11 | C39 | C40 | H63 | 60.0° | 60.0° |
| C40 | C39 | H59 | H60 | 115.0° | 120.1° |
| C39 | C40 | H61 | H62 | 120.0° | 119.9° |
| C39 | C40 | H61 | H63 | 120.0° | 120.0° |
| C39 | C40 | H62 | H63 | 120.0° | 120.0° |
| H59 | C39 | C40 | H61 | 58.4° | 60.0° |
| H59 | C39 | C40 | H62 | 178.4° | 60.0° |
| H59 | C39 | C40 | H63 | 61.6° | 180.0° |
| H60 | C39 | C40 | H61 | 58.5° | 180.0° |
| H60 | C39 | C40 | H62 | 61.6° | 60.1° |
| H60 | C39 | C40 | H63 | 178.5° | 60.0° |
| H61 | C40 | H62 | H63 | 120.0° | 120.0° |
| C36 | C32 | N6 | C24 | 122.3° | 155.0° |
