PRD_002111
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 | 1.52Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| F1 | C8 | sing | 1.35Å | 1.36Å | |
| F2 | C9 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.22Å | 1.23Å | |
| C12 | O3 | sing | 1.45Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H10 | sing | 1.08Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C14 | sing | 1.46Å | 1.47Å | |
| N3 | C18 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.49Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.11Å | 1.10Å | |
| C15 | O4 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C16 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N4 | C25 | sing | 1.46Å | 1.47Å | |
| O5 | C20 | doub | 1.21Å | 1.23Å | |
| C19 | C21 | sing | 1.52Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.08Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | C26 | sing | 1.48Å | 1.45Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.50Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | doub | 1.22Å | 1.22Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| N6 | C29 | sing | 1.47Å | 1.46Å | |
| N6 | C33 | sing | 1.46Å | 1.47Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.20Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.54Å | 1.52Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | C34 | doub | 1.22Å | 1.24Å | |
| C34 | C35 | sing | 1.47Å | 1.48Å | |
| C35 | C36 | doub | 1.33Å | 1.31Å | |
| C36 | C37 | sing | 1.51Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.47Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C35 | H44 | sing | 1.08Å | 1.08Å | |
| C36 | H45 | sing | 1.08Å | 1.08Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| C11 | N3 | sing | 1.34Å | 1.35Å | |
| O3 | C30 | sing | 1.34Å | 1.35Å | |
| C15 | N4 | sing | 1.34Å | 1.35Å | |
| C20 | N5 | sing | 1.35Å | 1.34Å | |
| C27 | N6 | sing | 1.34Å | 1.34Å | |
| N1 | C34 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.1° | 120.0° |
| O1 | C1 | N2 | 123.5° | 120.0° |
| C1 | C2 | N1 | 109.9° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.5° |
| C1 | C2 | H2 | 108.2° | 109.4° |
| C2 | C1 | N2 | 116.4° | 120.0° |
| N1 | C2 | C3 | 110.5° | 109.5° |
| C2 | N1 | H1 | 119.0° | 120.0° |
| N1 | C2 | H2 | 109.3° | 109.5° |
| C2 | N1 | C34 | 122.0° | 120.0° |
| F1 | C8 | C5 | 118.2° | 120.0° |
| F1 | C8 | C6 | 118.2° | 120.0° |
| F2 | C9 | C5 | 118.2° | 120.0° |
| F2 | C9 | C7 | 118.2° | 120.0° |
| C2 | C3 | C4 | 112.2° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H4 | 108.8° | 109.5° |
| C3 | C4 | C6 | 120.4° | 120.0° |
| C3 | C4 | C7 | 120.3° | 120.0° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H4 | 108.8° | 109.5° |
| C6 | C4 | C7 | 119.2° | 120.0° |
| C4 | C6 | C8 | 118.8° | 120.0° |
| C4 | C6 | H6 | 120.6° | 119.9° |
| C4 | C7 | C9 | 118.8° | 120.0° |
| C4 | C7 | H7 | 120.6° | 120.0° |
| C8 | C5 | C9 | 116.0° | 119.9° |
| C5 | C8 | C6 | 123.6° | 120.0° |
| C8 | C5 | H5 | 122.0° | 120.0° |
| C5 | C9 | C7 | 123.6° | 120.0° |
| C9 | C5 | H5 | 122.0° | 120.1° |
| C8 | C6 | H6 | 120.6° | 120.0° |
| C9 | C7 | H7 | 120.6° | 120.0° |
| H1 | N1 | C34 | 119.0° | 120.0° |
| H3 | C3 | H4 | 109.4° | 109.5° |
| C10 | N2 | H8 | 119.0° | 120.0° |
| N2 | C10 | C11 | 108.7° | 109.1° |
| N2 | C10 | C12 | 110.3° | 109.0° |
| N2 | C10 | H9 | 107.9° | 108.9° |
| C10 | N2 | C1 | 121.9° | 120.0° |
| H8 | N2 | C1 | 119.1° | 120.0° |
| C11 | C10 | C12 | 115.8° | 111.0° |
| C11 | C10 | H9 | 106.9° | 109.4° |
| C10 | C11 | O2 | 120.8° | 119.2° |
| C10 | C11 | N3 | 118.0° | 121.3° |
| C12 | C10 | H9 | 106.9° | 109.4° |
| C10 | C12 | O3 | 114.5° | 109.7° |
| C10 | C12 | C13 | 113.5° | 108.7° |
| C10 | C12 | H10 | 105.9° | 109.7° |
| O2 | C11 | N3 | 121.2° | 119.5° |
| O3 | C12 | C13 | 109.5° | 108.9° |
| O3 | C12 | H10 | 106.7° | 110.1° |
| C12 | O3 | C30 | 118.1° | 118.5° |
| C13 | C12 | H10 | 106.2° | 109.7° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.4° |
| H11 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| C14 | N3 | C18 | 111.8° | 109.5° |
| N3 | C14 | C15 | 111.4° | 112.2° |
| N3 | C14 | C16 | 103.3° | 108.9° |
| N3 | C14 | H14 | 110.9° | 107.1° |
| C14 | N3 | C11 | 123.6° | 125.6° |
| N3 | C18 | C17 | 103.5° | 108.4° |
| N3 | C18 | H19 | 110.9° | 109.2° |
| N3 | C18 | H20 | 110.9° | 109.7° |
| C18 | N3 | C11 | 124.5° | 124.9° |
| C15 | C14 | C16 | 110.9° | 113.5° |
| C15 | C14 | H14 | 110.0° | 107.7° |
| C14 | C15 | O4 | 119.1° | 116.0° |
| C14 | C15 | N4 | 119.6° | 128.1° |
| C16 | C14 | H14 | 110.0° | 107.2° |
| C14 | C16 | C17 | 104.2° | 106.2° |
| C14 | C16 | H15 | 110.8° | 111.4° |
| C14 | C16 | H16 | 110.8° | 110.0° |
| O4 | C15 | N4 | 121.2° | 115.9° |
| C17 | C16 | H15 | 110.8° | 110.8° |
| C17 | C16 | H16 | 110.8° | 109.4° |
| C16 | C17 | C18 | 104.3° | 105.7° |
| C16 | C17 | H17 | 110.8° | 110.6° |
| C16 | C17 | H18 | 110.7° | 110.2° |
| H15 | C16 | H16 | 109.5° | 109.0° |
| C18 | C17 | H17 | 110.7° | 110.1° |
| C18 | C17 | H18 | 110.7° | 110.1° |
| C17 | C18 | H19 | 111.0° | 109.6° |
| C17 | C18 | H20 | 110.9° | 110.1° |
| H17 | C17 | H18 | 109.5° | 110.0° |
| H19 | C18 | H20 | 109.5° | 109.8° |
| C19 | N4 | C25 | 113.3° | 118.1° |
| N4 | C19 | C21 | 109.2° | 110.2° |
| N4 | C19 | C20 | 115.7° | 108.1° |
| N4 | C19 | H21 | 107.6° | 109.0° |
| C19 | N4 | C15 | 126.2° | 118.5° |
| N4 | C25 | C24 | 110.4° | 109.1° |
| N4 | C25 | H30 | 109.2° | 111.0° |
| N4 | C25 | H31 | 109.3° | 109.5° |
| C25 | N4 | C15 | 120.5° | 123.4° |
| O5 | C20 | C19 | 119.6° | 118.8° |
| O5 | C20 | N5 | 122.8° | 121.1° |
| C21 | C19 | C20 | 110.2° | 110.7° |
| C19 | C21 | C22 | 110.1° | 111.3° |
| C21 | C19 | H21 | 106.9° | 109.4° |
| C19 | C21 | H22 | 109.3° | 109.2° |
| C19 | C21 | H23 | 109.3° | 109.4° |
| C20 | C19 | H21 | 106.9° | 109.4° |
| C19 | C20 | N5 | 117.6° | 120.0° |
| C21 | C22 | C24 | 109.0° | 109.9° |
| C21 | C22 | C23 | 111.4° | 109.3° |
| C22 | C21 | H22 | 109.3° | 109.1° |
| C22 | C21 | H23 | 109.3° | 109.3° |
| C21 | C22 | H24 | 108.1° | 109.6° |
| C24 | C22 | C23 | 112.1° | 109.3° |
| C22 | C24 | C25 | 112.2° | 109.2° |
| C24 | C22 | H24 | 108.1° | 109.4° |
| C22 | C24 | H28 | 108.8° | 109.6° |
| C22 | C24 | H29 | 108.8° | 109.4° |
| C23 | C22 | H24 | 108.1° | 109.4° |
| C22 | C23 | H25 | 109.5° | 109.4° |
| C22 | C23 | H26 | 109.5° | 109.4° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C25 | C24 | H28 | 108.8° | 109.7° |
| C25 | C24 | H29 | 108.8° | 109.3° |
| C24 | C25 | H30 | 109.3° | 109.7° |
| C24 | C25 | H31 | 109.2° | 108.5° |
| H22 | C21 | H23 | 109.5° | 108.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.4° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.4° | 109.0° |
| C26 | N5 | H32 | 119.4° | 120.3° |
| N5 | C26 | C27 | 112.4° | 108.3° |
| N5 | C26 | C28 | 110.1° | 109.2° |
| N5 | C26 | H33 | 109.1° | 109.0° |
| C26 | N5 | C20 | 121.2° | 118.3° |
| H32 | N5 | C20 | 119.4° | 121.4° |
| C27 | C26 | C28 | 108.7° | 111.8° |
| C27 | C26 | H33 | 108.1° | 109.6° |
| C26 | C27 | O6 | 119.6° | 118.1° |
| C26 | C27 | N6 | 114.0° | 125.5° |
| C28 | C26 | H33 | 108.2° | 108.9° |
| C26 | C28 | H34 | 109.5° | 109.5° |
| C26 | C28 | H35 | 109.5° | 109.5° |
| C26 | C28 | H36 | 109.5° | 109.4° |
| O6 | C27 | N6 | 121.4° | 116.4° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H36 | 109.5° | 109.5° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| C29 | N6 | C33 | 111.4° | 109.4° |
| N6 | C29 | C30 | 112.2° | 108.9° |
| N6 | C29 | C31 | 102.8° | 108.6° |
| N6 | C29 | H37 | 110.6° | 109.3° |
| C29 | N6 | C27 | 124.2° | 122.2° |
| N6 | C33 | C32 | 104.0° | 109.0° |
| N6 | C33 | H42 | 110.8° | 110.5° |
| N6 | C33 | H43 | 110.8° | 109.9° |
| C33 | N6 | C27 | 124.2° | 128.4° |
| C30 | C29 | C31 | 111.7° | 110.6° |
| C30 | C29 | H37 | 109.7° | 109.8° |
| C29 | C30 | O7 | 123.0° | 120.1° |
| C29 | C30 | O3 | 112.5° | 119.2° |
| C31 | C29 | H37 | 109.6° | 109.6° |
| C29 | C31 | C32 | 104.3° | 106.5° |
| C29 | C31 | H38 | 110.7° | 110.2° |
| C29 | C31 | H39 | 110.7° | 110.4° |
| O7 | C30 | O3 | 124.4° | 120.7° |
| C32 | C31 | H38 | 110.8° | 110.1° |
| C32 | C31 | H39 | 110.8° | 110.0° |
| C31 | C32 | C33 | 107.4° | 106.0° |
| C31 | C32 | H40 | 110.0° | 110.0° |
| C31 | C32 | H41 | 110.0° | 110.6° |
| H38 | C31 | H39 | 109.5° | 109.6° |
| C33 | C32 | H40 | 110.0° | 109.7° |
| C33 | C32 | H41 | 110.0° | 110.6° |
| C32 | C33 | H42 | 110.9° | 109.7° |
| C32 | C33 | H43 | 110.8° | 108.2° |
| H40 | C32 | H41 | 109.5° | 109.9° |
| H42 | C33 | H43 | 109.5° | 109.5° |
| O8 | C34 | C35 | 123.1° | 120.0° |
| O8 | C34 | N1 | 121.9° | 120.1° |
| C34 | C35 | C36 | 121.1° | 120.0° |
| C34 | C35 | H44 | 119.5° | 120.0° |
| C35 | C34 | N1 | 115.0° | 120.0° |
| C35 | C36 | C37 | 124.3° | 120.0° |
| C36 | C35 | H44 | 119.5° | 120.0° |
| C35 | C36 | H45 | 117.9° | 120.0° |
| C36 | C37 | C38 | 112.9° | 109.4° |
| C37 | C36 | H45 | 117.8° | 120.0° |
| C36 | C37 | H46 | 108.6° | 109.4° |
| C36 | C37 | H47 | 108.6° | 109.5° |
| C37 | C38 | C39 | 109.7° | 109.5° |
| C37 | C38 | C40 | 110.4° | 109.4° |
| C38 | C37 | H46 | 108.6° | 109.5° |
| C38 | C37 | H47 | 108.6° | 109.5° |
| C37 | C38 | H48 | 108.2° | 109.5° |
| C39 | C38 | C40 | 111.5° | 109.5° |
| C39 | C38 | H48 | 108.1° | 109.5° |
| C38 | C39 | H49 | 109.5° | 109.5° |
| C38 | C39 | H50 | 109.4° | 109.5° |
| C38 | C39 | H51 | 109.5° | 109.5° |
| C38 | C40 | C41 | 117.8° | 109.4° |
| C40 | C38 | H48 | 108.8° | 109.5° |
| C38 | C40 | H52 | 107.4° | 109.5° |
| C38 | C40 | H53 | 107.4° | 109.5° |
| C41 | C40 | H52 | 107.4° | 109.5° |
| C41 | C40 | H53 | 107.3° | 109.5° |
| C40 | C41 | H54 | 109.5° | 109.5° |
| C40 | C41 | H55 | 109.5° | 109.5° |
| C40 | C41 | H56 | 109.5° | 109.5° |
| H46 | C37 | H47 | 109.5° | 109.5° |
| H49 | C39 | H50 | 109.5° | 109.5° |
| H49 | C39 | H51 | 109.5° | 109.5° |
| H50 | C39 | H51 | 109.5° | 109.5° |
| H52 | C40 | H53 | 109.4° | 109.5° |
| H54 | C41 | H55 | 109.5° | 109.5° |
| H54 | C41 | H56 | 109.5° | 109.5° |
| H55 | C41 | H56 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 178.7° | 179.8° |
| O1 | C1 | C2 | N1 | 95.3° | 0.0° |
| O1 | C1 | C2 | C3 | 27.0° | 120.0° |
| O1 | C1 | C2 | H2 | 145.4° | 120.0° |
| O1 | C1 | N2 | C10 | 9.0° | 0.0° |
| O1 | C1 | N2 | H8 | 171.0° | 180.0° |
| C1 | C2 | N1 | C3 | 122.5° | 120.0° |
| C1 | C2 | N1 | H2 | 118.7° | 120.0° |
| C1 | C2 | C3 | H2 | 118.4° | 120.0° |
| C1 | C2 | C3 | C4 | 177.1° | 175.0° |
| C1 | C2 | N1 | H1 | 92.6° | 25.0° |
| C1 | C2 | C3 | H3 | 62.5° | 65.0° |
| C1 | C2 | C3 | H4 | 56.6° | 54.9° |
| C2 | C1 | N2 | C10 | 169.6° | 179.7° |
| C2 | C1 | N2 | H8 | 10.4° | 0.3° |
| C1 | C2 | N1 | C34 | 87.3° | 155.0° |
| N1 | C2 | C3 | H2 | 119.5° | 120.0° |
| N1 | C2 | C3 | C4 | 60.9° | 65.0° |
| C2 | N1 | H1 | C34 | 180.0° | 180.0° |
| N1 | C2 | C3 | H3 | 59.5° | 55.0° |
| N1 | C2 | C3 | H4 | 178.7° | 175.0° |
| C2 | N1 | C34 | O8 | 1.3° | 0.0° |
| C2 | N1 | C34 | C35 | 179.1° | 180.0° |
| N1 | C2 | C1 | N2 | 83.3° | 179.7° |
| F1 | C8 | C6 | C4 | 179.4° | 180.0° |
| F1 | C8 | C5 | C6 | 179.7° | 180.0° |
| F1 | C8 | C5 | C9 | 179.9° | 179.7° |
| F1 | C8 | C5 | H5 | 0.1° | 0.0° |
| F1 | C8 | C6 | H6 | 0.6° | 0.0° |
| F2 | C9 | C7 | C4 | 179.8° | 179.7° |
| F2 | C9 | C5 | C8 | 179.5° | 180.0° |
| F2 | C9 | C5 | C7 | 180.0° | 179.7° |
| F2 | C9 | C5 | H5 | 0.4° | 0.3° |
| F2 | C9 | C7 | H7 | 0.2° | 0.3° |
| C2 | C3 | C4 | H3 | 120.4° | 120.0° |
| C2 | C3 | C4 | H4 | 120.4° | 120.0° |
| C2 | C3 | C4 | C6 | 79.8° | 90.0° |
| C2 | C3 | C4 | C7 | 97.2° | 90.3° |
| C3 | C2 | N1 | H1 | 29.8° | 95.0° |
| C2 | C3 | H3 | H4 | 118.8° | 120.0° |
| C3 | C2 | C1 | N2 | 154.3° | 59.7° |
| C3 | C2 | N1 | C34 | 150.2° | 85.0° |
| C3 | C4 | C6 | C7 | 176.9° | 179.7° |
| C3 | C4 | C6 | C8 | 176.0° | 180.0° |
| C3 | C4 | C7 | C9 | 176.0° | 180.0° |
| C4 | C3 | C2 | H2 | 58.6° | 55.0° |
| C4 | C3 | H3 | H4 | 118.8° | 120.0° |
| C3 | C4 | C6 | H6 | 4.0° | 0.0° |
| C3 | C4 | C7 | H7 | 4.0° | 0.0° |
| C4 | C6 | C8 | C5 | 0.3° | 0.0° |
| C4 | C6 | C8 | H6 | 180.0° | 180.0° |
| C6 | C4 | C7 | C9 | 0.9° | 0.3° |
| C6 | C4 | C3 | H3 | 159.8° | 30.0° |
| C6 | C4 | C3 | H4 | 40.7° | 150.0° |
| C6 | C4 | C7 | H7 | 179.1° | 179.7° |
| C4 | C7 | C9 | C5 | 0.2° | 0.0° |
| C7 | C4 | C6 | C8 | 1.0° | 0.3° |
| C4 | C7 | C9 | H7 | 180.0° | 180.0° |
| C7 | C4 | C3 | H3 | 23.3° | 149.7° |
| C7 | C4 | C3 | H4 | 142.4° | 29.7° |
| C7 | C4 | C6 | H6 | 179.0° | 179.7° |
| C8 | C5 | C9 | H5 | 180.0° | 179.7° |
| C8 | C5 | C9 | C7 | 0.5° | 0.3° |
| C5 | C8 | C6 | H6 | 179.7° | 180.0° |
| C9 | C5 | C8 | C6 | 0.4° | 0.3° |
| C5 | C9 | C7 | H7 | 179.8° | 180.0° |
| C6 | C8 | C5 | H5 | 179.6° | 180.0° |
| C7 | C9 | C5 | H5 | 179.5° | 180.0° |
| H1 | N1 | C2 | H2 | 148.7° | 145.0° |
| H1 | N1 | C34 | O8 | 178.7° | 180.0° |
| H1 | N1 | C34 | C35 | 0.9° | 0.0° |
| H2 | C2 | C3 | H3 | 179.0° | 175.0° |
| H2 | C2 | C3 | H4 | 61.8° | 65.0° |
| H2 | C2 | C1 | N2 | 36.0° | 60.3° |
| H2 | C2 | N1 | C34 | 31.3° | 35.1° |
| C10 | N2 | H8 | C1 | 180.0° | 180.0° |
| N2 | C10 | C11 | C12 | 124.8° | 120.1° |
| N2 | C10 | C11 | H9 | 116.3° | 119.0° |
| N2 | C10 | C12 | H9 | 117.1° | 119.0° |
| N2 | C10 | C11 | O2 | 47.9° | 41.2° |
| N2 | C10 | C12 | O3 | 71.1° | 47.6° |
| N2 | C10 | C12 | C13 | 162.1° | 71.4° |
| N2 | C10 | C12 | H10 | 46.1° | 168.6° |
| N2 | C10 | C11 | N3 | 129.9° | 138.7° |
| H8 | N2 | C10 | C11 | 48.9° | 95.0° |
| H8 | N2 | C10 | C12 | 79.1° | 26.3° |
| H8 | N2 | C10 | H9 | 164.5° | 145.7° |
| C11 | C10 | C12 | H9 | 119.0° | 120.9° |
| C10 | C11 | O2 | N3 | 177.7° | 179.9° |
| C11 | C10 | C12 | O3 | 164.9° | 72.6° |
| C11 | C10 | C12 | C13 | 38.2° | 168.5° |
| C11 | C10 | C12 | H10 | 77.9° | 48.5° |
| C10 | C11 | N3 | C14 | 1.8° | 164.1° |
| C10 | C11 | N3 | C18 | 177.1° | 15.4° |
| C11 | C10 | N2 | C1 | 131.1° | 85.0° |
| C12 | C10 | C11 | O2 | 76.9° | 78.9° |
| C10 | C12 | O3 | C13 | 128.8° | 118.9° |
| C10 | C12 | O3 | H10 | 116.8° | 120.8° |
| C10 | C12 | C13 | H10 | 115.9° | 120.0° |
| C10 | C12 | C13 | H11 | 180.0° | 60.0° |
| C10 | C12 | C13 | H12 | 60.0° | 180.0° |
| C10 | C12 | C13 | H13 | 60.0° | 60.0° |
| C12 | C10 | N2 | C1 | 100.9° | 153.7° |
| C12 | C10 | C11 | N3 | 105.3° | 101.2° |
| C10 | C12 | O3 | C30 | 72.6° | 160.9° |
| H9 | C10 | C11 | O2 | 164.1° | 160.2° |
| H9 | C10 | C12 | O3 | 45.9° | 166.6° |
| H9 | C10 | C12 | C13 | 80.8° | 47.6° |
| H9 | C10 | C12 | H10 | 163.1° | 72.4° |
| H9 | C10 | N2 | C1 | 15.5° | 34.3° |
| H9 | C10 | C11 | N3 | 13.7° | 19.7° |
| O2 | C11 | N3 | C14 | 176.0° | 15.8° |
| O2 | C11 | N3 | C18 | 5.1° | 164.7° |
| O3 | C12 | C13 | H10 | 114.8° | 120.5° |
| O3 | C12 | C13 | H11 | 50.7° | 59.5° |
| O3 | C12 | C13 | H12 | 170.7° | 60.5° |
| O3 | C12 | C13 | H13 | 69.3° | 179.5° |
| C12 | O3 | C30 | C29 | 168.9° | 179.0° |
| C12 | O3 | C30 | O7 | 9.8° | 0.4° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H13 | 120.0° | 120.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C12 | O3 | C30 | 56.2° | 80.2° |
| H10 | C12 | C13 | H11 | 64.1° | 180.0° |
| H10 | C12 | C13 | H12 | 55.9° | 60.1° |
| H10 | C12 | C13 | H13 | 175.9° | 59.9° |
| H10 | C12 | O3 | C30 | 170.7° | 40.1° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C14 | N3 | C18 | C11 | 179.0° | 179.6° |
| N3 | C14 | C15 | C16 | 114.5° | 124.0° |
| N3 | C14 | C15 | H14 | 123.5° | 117.6° |
| N3 | C14 | C16 | H14 | 118.5° | 115.5° |
| N3 | C14 | C15 | O4 | 13.1° | 108.2° |
| N3 | C14 | C16 | C17 | 27.2° | 5.1° |
| N3 | C14 | C16 | H15 | 146.3° | 125.9° |
| N3 | C14 | C16 | H16 | 92.0° | 113.1° |
| C14 | N3 | C18 | C17 | 14.2° | 9.0° |
| C14 | N3 | C18 | H19 | 104.8° | 110.3° |
| C14 | N3 | C18 | H20 | 133.2° | 129.3° |
| N3 | C14 | C15 | N4 | 166.7° | 71.7° |
| C18 | N3 | C14 | C15 | 111.1° | 128.9° |
| C18 | N3 | C14 | C16 | 8.0° | 2.4° |
| C18 | N3 | C14 | H14 | 125.9° | 113.2° |
| N3 | C18 | C17 | C16 | 31.0° | 11.9° |
| N3 | C18 | C17 | H19 | 119.0° | 119.1° |
| N3 | C18 | C17 | H20 | 119.0° | 120.0° |
| N3 | C18 | C17 | H17 | 88.2° | 107.6° |
| N3 | C18 | C17 | H18 | 150.2° | 130.9° |
| N3 | C18 | H19 | H20 | 122.8° | 120.3° |
| C15 | C14 | C16 | H14 | 122.0° | 118.8° |
| C14 | C15 | O4 | N4 | 179.8° | 179.9° |
| C15 | C14 | C16 | C17 | 92.4° | 120.6° |
| C15 | C14 | C16 | H15 | 26.8° | 0.1° |
| C15 | C14 | C16 | H16 | 148.5° | 121.1° |
| C14 | C15 | N4 | C19 | 22.6° | 168.3° |
| C14 | C15 | N4 | C25 | 157.0° | 12.3° |
| C15 | C14 | N3 | C11 | 69.8° | 51.5° |
| C16 | C14 | C15 | O4 | 101.4° | 127.9° |
| C14 | C16 | C17 | H15 | 119.1° | 121.2° |
| C14 | C16 | C17 | H16 | 119.2° | 118.6° |
| C14 | C16 | H15 | H16 | 122.4° | 121.6° |
| C14 | C16 | C17 | C18 | 36.4° | 10.2° |
| C14 | C16 | C17 | H17 | 82.8° | 109.0° |
| C14 | C16 | C17 | H18 | 155.6° | 129.1° |
| C16 | C14 | N3 | C11 | 171.0° | 178.0° |
| C16 | C14 | C15 | N4 | 78.8° | 52.2° |
| H14 | C14 | C15 | O4 | 136.6° | 9.4° |
| H14 | C14 | C16 | C17 | 145.7° | 120.6° |
| H14 | C14 | C16 | H15 | 95.2° | 118.7° |
| H14 | C14 | C16 | H16 | 26.5° | 2.3° |
| H14 | C14 | N3 | C11 | 53.1° | 66.4° |
| H14 | C14 | C15 | N4 | 43.2° | 170.7° |
| O4 | C15 | N4 | C19 | 157.3° | 11.6° |
| O4 | C15 | N4 | C25 | 23.2° | 167.9° |
| C17 | C16 | H15 | H16 | 122.5° | 120.4° |
| C16 | C17 | C18 | H17 | 119.2° | 119.5° |
| C16 | C17 | C18 | H18 | 119.2° | 119.0° |
| C16 | C17 | H17 | H18 | 122.4° | 122.0° |
| C16 | C17 | C18 | H19 | 88.0° | 107.2° |
| C16 | C17 | C18 | H20 | 150.0° | 131.9° |
| H15 | C16 | C17 | C18 | 155.6° | 131.4° |
| H15 | C16 | C17 | H17 | 36.4° | 12.2° |
| H15 | C16 | C17 | H18 | 85.3° | 109.7° |
| H16 | C16 | C17 | C18 | 82.7° | 108.4° |
| H16 | C16 | C17 | H17 | 158.1° | 132.4° |
| H16 | C16 | C17 | H18 | 36.4° | 10.5° |
| C18 | C17 | H17 | H18 | 122.4° | 121.5° |
| C17 | C18 | H19 | H20 | 122.8° | 121.1° |
| C17 | C18 | N3 | C11 | 166.8° | 171.4° |
| H17 | C17 | C18 | H19 | 152.8° | 133.3° |
| H17 | C17 | C18 | H20 | 30.8° | 12.3° |
| H18 | C17 | C18 | H19 | 31.1° | 11.8° |
| H18 | C17 | C18 | H20 | 90.8° | 109.1° |
| H19 | C18 | N3 | C11 | 74.2° | 69.2° |
| H20 | C18 | N3 | C11 | 47.7° | 51.1° |
| C19 | N4 | C25 | C15 | 179.6° | 179.5° |
| N4 | C19 | C20 | O5 | 144.1° | 13.8° |
| N4 | C19 | C21 | C20 | 128.1° | 119.5° |
| N4 | C19 | C21 | H21 | 116.1° | 119.8° |
| N4 | C19 | C20 | H21 | 119.7° | 118.6° |
| N4 | C19 | C21 | C22 | 59.6° | 50.7° |
| C19 | N4 | C25 | C24 | 55.9° | 53.9° |
| N4 | C19 | C21 | H22 | 179.7° | 171.2° |
| N4 | C19 | C21 | H23 | 60.5° | 70.2° |
| C19 | N4 | C25 | H30 | 176.1° | 174.9° |
| C19 | N4 | C25 | H31 | 64.2° | 64.7° |
| N4 | C19 | C20 | N5 | 35.4° | 164.9° |
| C25 | N4 | C19 | C21 | 59.3° | 51.0° |
| C25 | N4 | C19 | C20 | 65.7° | 70.1° |
| N4 | C25 | C24 | C22 | 53.4° | 56.4° |
| N4 | C25 | C24 | H30 | 120.2° | 121.8° |
| N4 | C25 | C24 | H31 | 120.2° | 119.2° |
| C25 | N4 | C19 | H21 | 175.0° | 171.0° |
| N4 | C25 | C24 | H28 | 173.8° | 176.6° |
| N4 | C25 | C24 | H29 | 66.9° | 63.4° |
| N4 | C25 | H30 | H31 | 119.6° | 120.7° |
| O5 | C20 | C19 | C21 | 19.7° | 106.9° |
| O5 | C20 | C19 | N5 | 179.5° | 178.8° |
| O5 | C20 | C19 | H21 | 96.2° | 132.4° |
| O5 | C20 | N5 | C26 | 3.6° | 5.1° |
| O5 | C20 | N5 | H32 | 176.4° | 174.7° |
| C21 | C19 | C20 | H21 | 115.8° | 120.7° |
| C19 | C21 | C22 | H22 | 120.1° | 120.5° |
| C19 | C21 | C22 | H23 | 120.1° | 120.9° |
| C19 | C21 | C22 | C24 | 57.7° | 57.8° |
| C19 | C21 | C22 | C23 | 178.1° | 177.8° |
| C19 | C21 | H22 | H23 | 119.7° | 119.2° |
| C19 | C21 | C22 | H24 | 59.5° | 62.4° |
| C21 | C19 | N4 | C15 | 120.3° | 128.5° |
| C21 | C19 | C20 | N5 | 159.8° | 74.3° |
| C20 | C19 | C21 | C22 | 68.5° | 68.8° |
| C20 | C19 | C21 | H22 | 51.6° | 51.7° |
| C20 | C19 | C21 | H23 | 171.4° | 170.3° |
| C19 | C20 | N5 | C26 | 175.9° | 173.7° |
| C19 | C20 | N5 | H32 | 4.1° | 6.6° |
| C20 | C19 | N4 | C15 | 114.7° | 110.4° |
| C21 | C22 | C24 | C23 | 123.8° | 119.9° |
| C21 | C22 | C24 | H24 | 117.2° | 120.3° |
| C21 | C22 | C23 | H24 | 118.6° | 120.0° |
| C21 | C22 | C24 | C25 | 54.9° | 60.2° |
| C22 | C21 | C19 | H21 | 175.7° | 170.6° |
| C22 | C21 | H22 | H23 | 119.7° | 119.1° |
| C21 | C22 | C23 | H25 | 180.0° | 60.1° |
| C21 | C22 | C23 | H26 | 60.0° | 180.0° |
| C21 | C22 | C23 | H27 | 60.0° | 59.9° |
| C21 | C22 | C24 | H28 | 175.2° | 179.5° |
| C21 | C22 | C24 | H29 | 65.5° | 59.4° |
| C24 | C22 | C23 | H24 | 119.0° | 119.7° |
| C22 | C24 | C25 | H28 | 120.4° | 120.2° |
| C22 | C24 | C25 | H29 | 120.4° | 119.8° |
| C24 | C22 | C21 | H22 | 177.9° | 178.4° |
| C24 | C22 | C21 | H23 | 62.4° | 63.1° |
| C24 | C22 | C23 | H25 | 57.6° | 60.2° |
| C24 | C22 | C23 | H26 | 177.6° | 59.7° |
| C24 | C22 | C23 | H27 | 62.4° | 179.8° |
| C22 | C24 | H28 | H29 | 118.8° | 120.1° |
| C22 | C24 | C25 | H30 | 173.6° | 178.2° |
| C22 | C24 | C25 | H31 | 66.7° | 62.9° |
| C23 | C22 | C24 | C25 | 178.6° | 179.8° |
| C23 | C22 | C21 | H22 | 58.0° | 61.7° |
| C23 | C22 | C21 | H23 | 61.8° | 56.9° |
| C22 | C23 | H25 | H26 | 120.0° | 119.9° |
| C22 | C23 | H25 | H27 | 120.0° | 120.0° |
| C22 | C23 | H26 | H27 | 120.0° | 120.0° |
| C23 | C22 | C24 | H28 | 61.0° | 59.6° |
| C23 | C22 | C24 | H29 | 58.2° | 60.5° |
| C25 | C24 | C22 | H24 | 62.4° | 60.1° |
| C25 | C24 | H28 | H29 | 118.8° | 120.0° |
| C24 | C25 | H30 | H31 | 119.6° | 118.6° |
| C24 | C25 | N4 | C15 | 123.7° | 125.6° |
| H21 | C19 | C21 | H22 | 64.2° | 69.0° |
| H21 | C19 | C21 | H23 | 55.6° | 49.7° |
| H21 | C19 | N4 | C15 | 4.6° | 8.4° |
| H21 | C19 | C20 | N5 | 84.4° | 46.4° |
| H22 | C21 | C22 | H24 | 60.6° | 58.2° |
| H23 | C21 | C22 | H24 | 179.6° | 176.7° |
| H24 | C22 | C23 | H25 | 61.4° | 180.0° |
| H24 | C22 | C23 | H26 | 58.6° | 60.0° |
| H24 | C22 | C23 | H27 | 178.6° | 60.0° |
| H24 | C22 | C24 | H28 | 58.0° | 60.2° |
| H24 | C22 | C24 | H29 | 177.2° | 179.8° |
| H25 | C23 | H26 | H27 | 119.9° | 120.1° |
| H28 | C24 | C25 | H30 | 66.0° | 61.6° |
| H28 | C24 | C25 | H31 | 53.7° | 57.3° |
| H29 | C24 | C25 | H30 | 53.2° | 58.4° |
| H29 | C24 | C25 | H31 | 172.9° | 177.4° |
| H30 | C25 | N4 | C15 | 3.5° | 4.6° |
| H31 | C25 | N4 | C15 | 116.2° | 115.8° |
| C26 | N5 | H32 | C20 | 180.0° | 179.7° |
| N5 | C26 | C27 | C28 | 122.2° | 120.3° |
| N5 | C26 | C27 | H33 | 120.5° | 118.8° |
| N5 | C26 | C28 | H33 | 119.2° | 118.9° |
| N5 | C26 | C27 | O6 | 136.2° | 12.3° |
| N5 | C26 | C28 | H34 | 180.0° | 60.0° |
| N5 | C26 | C28 | H35 | 60.0° | 180.0° |
| N5 | C26 | C28 | H36 | 60.0° | 60.0° |
| N5 | C26 | C27 | N6 | 68.4° | 168.7° |
| H32 | N5 | C26 | C27 | 29.0° | 127.5° |
| H32 | N5 | C26 | C28 | 92.4° | 110.5° |
| H32 | N5 | C26 | H33 | 148.9° | 8.4° |
| C27 | C26 | C28 | H33 | 117.2° | 121.3° |
| C26 | C27 | O6 | N6 | 153.5° | 179.1° |
| C27 | C26 | C28 | H34 | 56.4° | 59.8° |
| C27 | C26 | C28 | H35 | 176.5° | 60.2° |
| C27 | C26 | C28 | H36 | 63.6° | 179.8° |
| C26 | C27 | N6 | C29 | 5.3° | 179.0° |
| C26 | C27 | N6 | C33 | 169.9° | 1.7° |
| C27 | C26 | N5 | C20 | 151.0° | 52.7° |
| C28 | C26 | C27 | O6 | 14.0° | 132.7° |
| C26 | C28 | H34 | H35 | 120.0° | 120.0° |
| C26 | C28 | H34 | H36 | 120.0° | 119.9° |
| C26 | C28 | H35 | H36 | 120.0° | 120.0° |
| C28 | C26 | N5 | C20 | 87.6° | 69.2° |
| C28 | C26 | C27 | N6 | 169.4° | 48.3° |
| H33 | C26 | C27 | O6 | 103.3° | 106.4° |
| H33 | C26 | C28 | H34 | 60.8° | 178.9° |
| H33 | C26 | C28 | H35 | 59.2° | 61.1° |
| H33 | C26 | C28 | H36 | 179.2° | 58.9° |
| H33 | C26 | N5 | C20 | 31.1° | 171.9° |
| H33 | C26 | C27 | N6 | 52.1° | 72.5° |
| O6 | C27 | N6 | C29 | 160.2° | 0.0° |
| O6 | C27 | N6 | C33 | 15.0° | 179.3° |
| H34 | C28 | H35 | H36 | 120.0° | 120.1° |
| C29 | N6 | C33 | C27 | 175.7° | 179.4° |
| N6 | C29 | C30 | C31 | 114.8° | 119.3° |
| N6 | C29 | C30 | H37 | 123.4° | 119.6° |
| N6 | C29 | C31 | H37 | 117.6° | 119.3° |
| N6 | C29 | C30 | O7 | 136.5° | 62.3° |
| N6 | C29 | C31 | C32 | 30.9° | 5.4° |
| N6 | C29 | C31 | H38 | 150.1° | 124.8° |
| N6 | C29 | C31 | H39 | 88.3° | 114.0° |
| C29 | N6 | C33 | C32 | 16.7° | 6.5° |
| C29 | N6 | C33 | H42 | 135.8° | 127.2° |
| C29 | N6 | C33 | H43 | 102.4° | 111.9° |
| N6 | C29 | C30 | O3 | 42.2° | 117.0° |
| C33 | N6 | C29 | C30 | 89.9° | 113.1° |
| C33 | N6 | C29 | C31 | 30.3° | 7.5° |
| C33 | N6 | C29 | H37 | 147.3° | 126.9° |
| N6 | C33 | C32 | C31 | 4.2° | 3.0° |
| N6 | C33 | C32 | H42 | 119.1° | 121.2° |
| N6 | C33 | C32 | H43 | 119.1° | 119.4° |
| N6 | C33 | C32 | H40 | 115.5° | 121.7° |
| N6 | C33 | C32 | H41 | 123.8° | 116.9° |
| N6 | C33 | H42 | H43 | 122.5° | 121.1° |
| C30 | C29 | C31 | H37 | 121.9° | 121.2° |
| C29 | C30 | O7 | O3 | 178.6° | 179.3° |
| C30 | C29 | C31 | C32 | 89.6° | 114.1° |
| C30 | C29 | C31 | H38 | 29.6° | 5.4° |
| C30 | C29 | C31 | H39 | 151.2° | 126.6° |
| C30 | C29 | N6 | C27 | 94.4° | 66.4° |
| C31 | C29 | C30 | O7 | 108.7° | 57.0° |
| C29 | C31 | C32 | H38 | 119.2° | 119.5° |
| C29 | C31 | C32 | H39 | 119.2° | 119.6° |
| C29 | C31 | H38 | H39 | 122.4° | 121.7° |
| C29 | C31 | C32 | C33 | 21.9° | 1.5° |
| C29 | C31 | C32 | H40 | 97.7° | 117.0° |
| C29 | C31 | C32 | H41 | 141.6° | 121.4° |
| C31 | C29 | C30 | O3 | 72.6° | 123.7° |
| C31 | C29 | N6 | C27 | 145.4° | 173.1° |
| H37 | C29 | C30 | O7 | 13.2° | 178.0° |
| H37 | C29 | C31 | C32 | 148.6° | 124.7° |
| H37 | C29 | C31 | H38 | 92.3° | 115.8° |
| H37 | C29 | C31 | H39 | 29.4° | 5.4° |
| H37 | C29 | C30 | O3 | 165.6° | 2.6° |
| H37 | C29 | N6 | C27 | 28.4° | 53.6° |
| C32 | C31 | H38 | H39 | 122.4° | 121.1° |
| C31 | C32 | C33 | H40 | 119.6° | 118.7° |
| C31 | C32 | C33 | H41 | 119.7° | 119.9° |
| C31 | C32 | H40 | H41 | 121.0° | 122.0° |
| C31 | C32 | C33 | H42 | 115.0° | 124.2° |
| C31 | C32 | C33 | H43 | 123.3° | 116.4° |
| H38 | C31 | C32 | C33 | 141.1° | 121.0° |
| H38 | C31 | C32 | H40 | 21.4° | 2.4° |
| H38 | C31 | C32 | H41 | 99.2° | 119.1° |
| H39 | C31 | C32 | C33 | 97.2° | 118.2° |
| H39 | C31 | C32 | H40 | 143.1° | 123.3° |
| H39 | C31 | C32 | H41 | 22.5° | 1.7° |
| C33 | C32 | H40 | H41 | 121.0° | 121.8° |
| C32 | C33 | H42 | H43 | 122.6° | 118.6° |
| C32 | C33 | N6 | C27 | 159.0° | 174.1° |
| H40 | C32 | C33 | H42 | 125.4° | 117.1° |
| H40 | C32 | C33 | H43 | 3.6° | 2.2° |
| H41 | C32 | C33 | H42 | 4.7° | 4.3° |
| H41 | C32 | C33 | H43 | 117.0° | 123.6° |
| H42 | C33 | N6 | C27 | 39.9° | 53.4° |
| H43 | C33 | N6 | C27 | 81.9° | 67.5° |
| O8 | C34 | C35 | N1 | 179.5° | 180.0° |
| O8 | C34 | C35 | C36 | 0.7° | 0.0° |
| O8 | C34 | C35 | H44 | 179.3° | 179.9° |
| C34 | C35 | C36 | H44 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 179.6° | 180.0° |
| C34 | C35 | C36 | H45 | 0.4° | 0.0° |
| C35 | C36 | C37 | H45 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 133.6° | 125.0° |
| C35 | C36 | C37 | H46 | 13.1° | 115.0° |
| C35 | C36 | C37 | H47 | 105.8° | 5.0° |
| C36 | C35 | C34 | N1 | 179.8° | 180.0° |
| C36 | C37 | C38 | H46 | 120.5° | 120.0° |
| C36 | C37 | C38 | H47 | 120.5° | 120.0° |
| C36 | C37 | C38 | C39 | 61.9° | 65.0° |
| C36 | C37 | C38 | C40 | 174.8° | 175.0° |
| C37 | C36 | C35 | H44 | 0.4° | 0.1° |
| C36 | C37 | H46 | H47 | 118.4° | 120.0° |
| C36 | C37 | C38 | H48 | 55.8° | 55.0° |
| C37 | C38 | C39 | C40 | 122.7° | 120.0° |
| C37 | C38 | C39 | H48 | 117.8° | 120.0° |
| C37 | C38 | C40 | H48 | 118.6° | 120.0° |
| C37 | C38 | C40 | C41 | 54.8° | 175.0° |
| C38 | C37 | C36 | H45 | 46.4° | 55.0° |
| C38 | C37 | H46 | H47 | 118.4° | 120.1° |
| C37 | C38 | C39 | H49 | 180.0° | 180.0° |
| C37 | C38 | C39 | H50 | 60.0° | 60.0° |
| C37 | C38 | C39 | H51 | 60.0° | 60.0° |
| C37 | C38 | C40 | H52 | 176.0° | 65.0° |
| C37 | C38 | C40 | H53 | 66.4° | 55.0° |
| C39 | C38 | C40 | H48 | 119.1° | 120.0° |
| C39 | C38 | C40 | C41 | 177.0° | 65.0° |
| C39 | C38 | C37 | H46 | 58.6° | 55.0° |
| C39 | C38 | C37 | H47 | 177.6° | 175.0° |
| C38 | C39 | H49 | H50 | 120.0° | 120.0° |
| C38 | C39 | H49 | H51 | 120.0° | 120.0° |
| C38 | C39 | H50 | H51 | 120.0° | 120.0° |
| C39 | C38 | C40 | H52 | 61.7° | 55.0° |
| C39 | C38 | C40 | H53 | 55.8° | 175.0° |
| C38 | C40 | C41 | H52 | 121.2° | 120.0° |
| C38 | C40 | C41 | H53 | 121.2° | 120.0° |
| C40 | C38 | C37 | H46 | 64.7° | 65.1° |
| C40 | C38 | C37 | H47 | 54.3° | 55.0° |
| C40 | C38 | C39 | H49 | 57.3° | 60.0° |
| C40 | C38 | C39 | H50 | 177.3° | 180.0° |
| C40 | C38 | C39 | H51 | 62.7° | 60.0° |
| C38 | C40 | H52 | H53 | 116.3° | 120.0° |
| C38 | C40 | C41 | H54 | 180.0° | 60.0° |
| C38 | C40 | C41 | H55 | 60.0° | 60.0° |
| C38 | C40 | C41 | H56 | 60.0° | 180.0° |
| C41 | C40 | C38 | H48 | 63.8° | 55.0° |
| C41 | C40 | H52 | H53 | 116.2° | 120.0° |
| C40 | C41 | H54 | H55 | 120.0° | 120.0° |
| C40 | C41 | H54 | H56 | 120.0° | 120.0° |
| C40 | C41 | H55 | H56 | 120.0° | 120.0° |
| H44 | C35 | C36 | H45 | 179.6° | 179.9° |
| H44 | C35 | C34 | N1 | 0.2° | 0.0° |
| H45 | C36 | C37 | H46 | 166.9° | 65.0° |
| H45 | C36 | C37 | H47 | 74.1° | 175.0° |
| H46 | C37 | C38 | H48 | 176.3° | 175.0° |
| H47 | C37 | C38 | H48 | 64.7° | 65.0° |
| H48 | C38 | C39 | H49 | 62.2° | 60.0° |
| H48 | C38 | C39 | H50 | 57.8° | 60.0° |
| H48 | C38 | C39 | H51 | 177.8° | 180.0° |
| H48 | C38 | C40 | H52 | 57.4° | 175.0° |
| H48 | C38 | C40 | H53 | 175.0° | 65.0° |
| H49 | C39 | H50 | H51 | 120.0° | 120.0° |
| H52 | C40 | C41 | H54 | 58.8° | 180.0° |
| H52 | C40 | C41 | H55 | 178.8° | 60.0° |
| H52 | C40 | C41 | H56 | 61.2° | 60.0° |
| H53 | C40 | C41 | H54 | 58.8° | 60.0° |
| H53 | C40 | C41 | H55 | 61.3° | 180.0° |
| H53 | C40 | C41 | H56 | 178.8° | 60.0° |
| H54 | C41 | H55 | H56 | 120.0° | 120.0° |
