PRD_000922
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C6 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| O2 | C7 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| O3 | C4 | sing | 1.36Å | 1.37Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| C7 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | C15 | doub | 1.21Å | 1.23Å | |
| C10 | C2 | sing | 1.51Å | 1.51Å | |
| C15 | C12 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.50Å | |
| C12 | N1 | sing | 1.49Å | 1.47Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| N1 | C11 | sing | 1.48Å | 1.47Å | |
| C13 | C14 | sing | 1.55Å | 1.51Å | |
| C11 | C14 | sing | 1.54Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | C16 | sing | 1.46Å | 1.46Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | C22 | sing | 1.47Å | 1.45Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.35Å | 1.35Å | Aromatic |
| N4 | C27 | doub | 1.30Å | 1.32Å | Aromatic |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C26 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C26 | H37 | sing | 1.08Å | 1.08Å | |
| C27 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C27 | H38 | sing | 1.08Å | 1.08Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | C28 | sing | 1.46Å | 1.45Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | O7 | doub | 1.21Å | 1.23Å | |
| C30 | O8 | sing | 1.43Å | 1.42Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å | |
| N7 | C31 | sing | 1.46Å | 1.47Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.53Å | 1.58Å | |
| C31 | C34 | sing | 1.51Å | 1.54Å | |
| C31 | H46 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | O9 | sing | 1.43Å | 1.45Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C33 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | H50 | sing | 1.09Å | 1.10Å | |
| O9 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O10 | doub | 1.48Å | 1.43Å | |
| P1 | O11 | sing | 1.61Å | 1.50Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| O11 | H51 | sing | 0.97Å | 0.95Å | |
| O12 | H52 | sing | 0.97Å | 0.95Å | |
| C34 | O13 | doub | 1.21Å | 1.22Å | |
| N8 | C35 | sing | 1.47Å | 1.45Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | O14 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C38 | S1 | sing | 1.81Å | 1.79Å | |
| C38 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | H58 | sing | 1.09Å | 1.10Å | |
| S1 | C39 | sing | 1.81Å | 1.78Å | |
| C39 | H59 | sing | 1.09Å | 1.10Å | |
| C39 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H61 | sing | 1.09Å | 1.10Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| N9 | H63 | sing | 0.97Å | 1.00Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| C17 | N3 | sing | 1.35Å | 1.33Å | |
| C23 | N6 | sing | 1.35Å | 1.33Å | |
| C29 | N7 | sing | 1.35Å | 1.34Å | |
| C34 | N8 | sing | 1.35Å | 1.33Å | |
| C36 | N9 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O1 | C6 | 115.5° | 117.0° |
| O1 | C5 | H5 | 109.5° | 109.5° |
| O1 | C5 | H6 | 109.5° | 109.5° |
| O1 | C5 | H7 | 109.4° | 109.5° |
| O1 | C6 | C7 | 120.9° | 120.1° |
| O1 | C6 | C4 | 120.5° | 120.1° |
| C8 | O2 | C7 | 117.4° | 117.0° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H9 | 109.5° | 109.5° |
| O2 | C8 | H10 | 109.5° | 109.5° |
| O2 | C7 | C6 | 116.1° | 120.1° |
| O2 | C7 | C1 | 124.4° | 120.1° |
| C7 | C6 | C4 | 118.6° | 119.8° |
| C6 | C7 | C1 | 119.5° | 119.9° |
| C6 | C4 | O3 | 116.0° | 120.1° |
| C6 | C4 | C3 | 119.4° | 119.9° |
| C4 | O3 | C9 | 117.3° | 117.0° |
| O3 | C4 | C3 | 124.6° | 120.0° |
| O3 | C9 | H11 | 109.5° | 109.5° |
| O3 | C9 | H12 | 109.5° | 109.4° |
| O3 | C9 | H13 | 109.5° | 109.5° |
| C7 | C1 | C10 | 119.7° | 120.1° |
| C7 | C1 | H1 | 120.2° | 120.0° |
| C4 | C3 | C10 | 119.7° | 120.1° |
| C4 | C3 | H4 | 120.2° | 119.9° |
| C1 | C10 | C3 | 118.3° | 120.1° |
| C1 | C10 | C2 | 120.9° | 119.9° |
| C10 | C1 | H1 | 120.1° | 119.9° |
| C3 | C10 | C2 | 120.8° | 120.0° |
| C10 | C3 | H4 | 120.2° | 119.9° |
| O4 | C15 | C12 | 121.1° | 120.0° |
| O4 | C15 | N2 | 122.7° | 120.0° |
| C10 | C2 | N1 | 133.2° | 109.5° |
| C10 | C2 | H2 | 103.2° | 109.4° |
| C10 | C2 | H3 | 103.2° | 109.5° |
| C15 | C12 | N1 | 113.4° | 110.6° |
| C15 | C12 | C13 | 112.7° | 110.7° |
| C15 | C12 | H16 | 108.9° | 110.7° |
| C12 | C15 | N2 | 116.1° | 120.0° |
| C2 | N1 | C12 | 111.4° | 111.0° |
| C2 | N1 | C11 | 129.0° | 111.0° |
| N1 | C2 | H2 | 103.3° | 109.5° |
| N1 | C2 | H3 | 103.3° | 109.5° |
| N1 | C12 | C13 | 103.0° | 103.2° |
| C12 | N1 | C11 | 111.0° | 105.8° |
| N1 | C12 | H16 | 109.7° | 110.6° |
| C12 | C13 | C14 | 103.0° | 103.0° |
| C13 | C12 | H16 | 108.9° | 110.7° |
| C12 | C13 | H17 | 111.1° | 110.7° |
| C12 | C13 | H18 | 111.1° | 110.7° |
| N1 | C11 | C14 | 102.3° | 107.0° |
| N1 | C11 | H14 | 111.2° | 109.9° |
| N1 | C11 | H15 | 111.2° | 109.9° |
| C13 | C14 | C11 | 101.7° | 105.1° |
| C14 | C13 | H17 | 111.1° | 110.8° |
| C14 | C13 | H18 | 111.1° | 110.7° |
| C13 | C14 | H19 | 111.4° | 110.3° |
| C13 | C14 | H20 | 111.3° | 110.4° |
| C14 | C11 | H14 | 111.2° | 109.9° |
| C14 | C11 | H15 | 111.2° | 109.8° |
| C11 | C14 | H19 | 111.4° | 110.2° |
| C11 | C14 | H20 | 111.4° | 110.3° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H5 | C5 | H7 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| H11 | C9 | H12 | 109.4° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 110.1° |
| H17 | C13 | H18 | 109.5° | 110.7° |
| H19 | C14 | H20 | 109.5° | 110.4° |
| C16 | N2 | H21 | 119.4° | 120.0° |
| N2 | C16 | C17 | 110.5° | 109.5° |
| N2 | C16 | C18 | 110.3° | 109.5° |
| N2 | C16 | H22 | 109.4° | 109.5° |
| C16 | N2 | C15 | 121.2° | 120.0° |
| H21 | N2 | C15 | 119.4° | 120.0° |
| C17 | C16 | C18 | 109.6° | 109.4° |
| C17 | C16 | H22 | 108.5° | 109.5° |
| C16 | C17 | O5 | 120.6° | 119.9° |
| C16 | C17 | N3 | 116.3° | 120.0° |
| C18 | C16 | H22 | 108.4° | 109.4° |
| C16 | C18 | C19 | 115.6° | 109.5° |
| C16 | C18 | H23 | 107.9° | 109.5° |
| C16 | C18 | H24 | 107.9° | 109.4° |
| O5 | C17 | N3 | 123.0° | 120.0° |
| C19 | C18 | H23 | 107.9° | 109.5° |
| C19 | C18 | H24 | 107.9° | 109.5° |
| C18 | C19 | C20 | 109.4° | 109.5° |
| C18 | C19 | C21 | 109.8° | 109.5° |
| C18 | C19 | H25 | 108.7° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| C20 | C19 | C21 | 111.2° | 109.4° |
| C20 | C19 | H25 | 108.9° | 109.4° |
| C19 | C20 | H26 | 109.5° | 109.5° |
| C19 | C20 | H27 | 109.5° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C21 | C19 | H25 | 108.8° | 109.5° |
| C19 | C21 | H29 | 109.5° | 109.4° |
| C19 | C21 | H30 | 109.5° | 109.5° |
| C19 | C21 | H31 | 109.4° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.4° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H29 | C21 | H31 | 109.4° | 109.4° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| C22 | N3 | H32 | 119.2° | 120.1° |
| N3 | C22 | C23 | 109.3° | 109.4° |
| N3 | C22 | C24 | 110.1° | 109.5° |
| N3 | C22 | H33 | 109.7° | 109.5° |
| C22 | N3 | C17 | 121.6° | 120.0° |
| H32 | N3 | C17 | 119.2° | 120.0° |
| C23 | C22 | C24 | 110.3° | 109.5° |
| C23 | C22 | H33 | 108.8° | 109.5° |
| C22 | C23 | O6 | 120.8° | 120.0° |
| C22 | C23 | N6 | 115.9° | 120.0° |
| C24 | C22 | H33 | 108.6° | 109.5° |
| C22 | C24 | C25 | 113.4° | 109.5° |
| C22 | C24 | H34 | 108.5° | 109.5° |
| C22 | C24 | H35 | 108.4° | 109.5° |
| O6 | C23 | N6 | 123.3° | 120.0° |
| C25 | C24 | H34 | 108.5° | 109.5° |
| C25 | C24 | H35 | 108.5° | 109.4° |
| C24 | C25 | N4 | 122.5° | 126.0° |
| C24 | C25 | C26 | 131.2° | 125.9° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| N4 | C25 | C26 | 106.1° | 108.1° |
| C25 | N4 | C27 | 109.4° | 109.2° |
| C25 | N4 | H36 | 125.3° | 125.4° |
| C25 | C26 | N5 | 107.2° | 106.8° |
| C25 | C26 | H37 | 126.4° | 126.7° |
| C27 | N4 | H36 | 125.3° | 125.4° |
| N4 | C27 | N5 | 108.3° | 108.7° |
| N4 | C27 | H38 | 125.8° | 125.7° |
| N5 | C26 | H37 | 126.4° | 126.5° |
| C26 | N5 | C27 | 108.9° | 107.2° |
| C26 | N5 | H39 | 125.5° | 126.4° |
| N5 | C27 | H38 | 125.8° | 125.6° |
| C27 | N5 | H39 | 125.5° | 126.4° |
| C28 | N6 | H40 | 119.0° | 120.1° |
| N6 | C28 | C29 | 109.0° | 109.5° |
| N6 | C28 | C30 | 109.5° | 109.5° |
| N6 | C28 | H41 | 110.3° | 109.5° |
| C28 | N6 | C23 | 122.0° | 120.0° |
| H40 | N6 | C23 | 119.0° | 120.0° |
| C29 | C28 | C30 | 109.5° | 109.4° |
| C29 | C28 | H41 | 109.2° | 109.5° |
| C28 | C29 | O7 | 120.9° | 120.0° |
| C28 | C29 | N7 | 117.2° | 120.0° |
| C30 | C28 | H41 | 109.3° | 109.5° |
| C28 | C30 | O8 | 109.4° | 109.5° |
| C28 | C30 | H42 | 109.5° | 109.5° |
| C28 | C30 | H43 | 109.5° | 109.5° |
| O7 | C29 | N7 | 121.9° | 120.0° |
| O8 | C30 | H42 | 109.5° | 109.5° |
| O8 | C30 | H43 | 109.5° | 109.4° |
| C30 | O8 | H44 | 109.5° | 114.0° |
| H42 | C30 | H43 | 109.4° | 109.5° |
| C31 | N7 | H45 | 116.3° | 120.0° |
| N7 | C31 | C32 | 115.0° | 109.5° |
| N7 | C31 | C34 | 108.7° | 109.5° |
| N7 | C31 | H46 | 108.7° | 109.5° |
| C31 | N7 | C29 | 127.5° | 120.0° |
| H45 | N7 | C29 | 116.3° | 120.0° |
| C32 | C31 | C34 | 109.2° | 109.5° |
| C32 | C31 | H46 | 107.3° | 109.4° |
| C31 | C32 | C33 | 114.0° | 109.4° |
| C31 | C32 | O9 | 103.8° | 109.5° |
| C31 | C32 | H47 | 108.8° | 109.5° |
| C34 | C31 | H46 | 107.7° | 109.5° |
| C31 | C34 | O13 | 121.5° | 120.0° |
| C31 | C34 | N8 | 116.1° | 120.0° |
| C33 | C32 | O9 | 110.2° | 109.5° |
| C33 | C32 | H47 | 109.5° | 109.5° |
| C32 | C33 | H48 | 109.5° | 109.4° |
| C32 | C33 | H49 | 109.5° | 109.5° |
| C32 | C33 | H50 | 109.5° | 109.5° |
| O9 | C32 | H47 | 110.5° | 109.5° |
| C32 | O9 | P1 | 122.4° | 123.0° |
| H48 | C33 | H49 | 109.5° | 109.4° |
| H48 | C33 | H50 | 109.5° | 109.5° |
| H49 | C33 | H50 | 109.5° | 109.5° |
| O9 | P1 | O10 | 115.7° | 109.5° |
| O9 | P1 | O11 | 103.1° | 109.5° |
| O9 | P1 | O12 | 102.9° | 109.5° |
| O10 | P1 | O11 | 110.7° | 109.5° |
| O10 | P1 | O12 | 114.4° | 109.5° |
| O11 | P1 | O12 | 109.3° | 109.5° |
| P1 | O11 | H51 | 109.5° | 114.0° |
| P1 | O12 | H52 | 109.5° | 114.0° |
| O13 | C34 | N8 | 122.4° | 120.0° |
| C35 | N8 | H53 | 120.2° | 120.0° |
| N8 | C35 | C36 | 111.7° | 109.5° |
| N8 | C35 | C37 | 109.7° | 109.4° |
| N8 | C35 | H54 | 109.0° | 109.4° |
| C35 | N8 | C34 | 119.7° | 120.0° |
| H53 | N8 | C34 | 120.1° | 120.0° |
| C36 | C35 | C37 | 110.2° | 109.5° |
| C36 | C35 | H54 | 108.1° | 109.5° |
| C35 | C36 | O14 | 120.9° | 120.0° |
| C35 | C36 | N9 | 117.0° | 120.0° |
| C37 | C35 | H54 | 108.1° | 109.5° |
| C35 | C37 | C38 | 112.2° | 109.5° |
| C35 | C37 | H55 | 108.8° | 109.5° |
| C35 | C37 | H56 | 108.8° | 109.4° |
| O14 | C36 | N9 | 122.1° | 120.0° |
| C38 | C37 | H55 | 108.8° | 109.5° |
| C38 | C37 | H56 | 108.8° | 109.5° |
| C37 | C38 | S1 | 112.5° | 109.4° |
| C37 | C38 | H57 | 108.7° | 109.5° |
| C37 | C38 | H58 | 108.7° | 109.5° |
| H55 | C37 | H56 | 109.5° | 109.5° |
| S1 | C38 | H57 | 108.7° | 109.4° |
| S1 | C38 | H58 | 108.7° | 109.5° |
| C38 | S1 | C39 | 101.0° | 103.0° |
| H57 | C38 | H58 | 109.5° | 109.5° |
| S1 | C39 | H59 | 109.5° | 109.5° |
| S1 | C39 | H60 | 109.4° | 109.5° |
| S1 | C39 | H61 | 109.5° | 109.5° |
| H59 | C39 | H60 | 109.5° | 109.5° |
| H59 | C39 | H61 | 109.4° | 109.5° |
| H60 | C39 | H61 | 109.5° | 109.5° |
| H62 | N9 | H63 | 120.0° | 120.0° |
| H62 | N9 | C36 | 120.0° | 119.9° |
| H63 | N9 | C36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | O1 | C6 | C7 | 97.1° | 89.9° |
| C5 | O1 | C6 | C4 | 83.4° | 90.6° |
| O1 | C5 | H5 | H6 | 120.0° | 120.0° |
| O1 | C5 | H5 | H7 | 120.0° | 120.1° |
| O1 | C5 | H6 | H7 | 120.0° | 120.0° |
| O1 | C6 | C7 | O2 | 19.8° | 0.1° |
| O1 | C6 | C7 | C4 | 179.5° | 179.5° |
| O1 | C6 | C4 | O3 | 22.1° | 0.2° |
| O1 | C6 | C7 | C1 | 161.5° | 180.0° |
| O1 | C6 | C4 | C3 | 159.3° | 179.7° |
| C6 | O1 | C5 | H5 | 180.0° | 60.0° |
| C6 | O1 | C5 | H6 | 60.0° | 180.0° |
| C6 | O1 | C5 | H7 | 60.0° | 60.0° |
| C8 | O2 | C7 | C6 | 174.6° | 180.0° |
| C8 | O2 | C7 | C1 | 4.0° | 0.0° |
| O2 | C8 | H8 | H9 | 120.0° | 120.0° |
| O2 | C8 | H8 | H10 | 120.0° | 120.0° |
| O2 | C8 | H9 | H10 | 120.0° | 120.0° |
| O2 | C7 | C6 | C1 | 178.7° | 179.9° |
| O2 | C7 | C6 | C4 | 160.7° | 179.4° |
| O2 | C7 | C1 | C10 | 163.0° | 180.0° |
| O2 | C7 | C1 | H1 | 17.0° | 0.3° |
| C7 | O2 | C8 | H8 | 180.0° | 60.0° |
| C7 | O2 | C8 | H9 | 60.0° | 60.0° |
| C7 | O2 | C8 | H10 | 60.0° | 180.0° |
| C7 | C6 | C4 | O3 | 158.4° | 179.7° |
| C7 | C6 | C4 | C3 | 20.3° | 0.8° |
| C6 | C7 | C1 | C10 | 15.6° | 0.1° |
| C6 | C7 | C1 | H1 | 164.4° | 179.8° |
| C6 | C4 | O3 | C3 | 178.6° | 179.5° |
| C6 | C4 | O3 | C9 | 165.0° | 179.4° |
| C4 | C6 | C7 | C1 | 18.0° | 0.5° |
| C6 | C4 | C3 | C10 | 20.1° | 0.5° |
| C6 | C4 | C3 | H4 | 159.9° | 179.4° |
| O3 | C4 | C3 | C10 | 158.4° | 180.0° |
| O3 | C4 | C3 | H4 | 21.6° | 0.1° |
| C4 | O3 | C9 | H11 | 180.0° | 60.1° |
| C4 | O3 | C9 | H12 | 60.0° | 180.0° |
| C4 | O3 | C9 | H13 | 60.0° | 60.0° |
| C9 | O3 | C4 | C3 | 13.6° | 0.1° |
| O3 | C9 | H11 | H12 | 120.0° | 119.9° |
| O3 | C9 | H11 | H13 | 120.0° | 120.0° |
| O3 | C9 | H12 | H13 | 120.0° | 120.0° |
| C7 | C1 | C10 | H1 | 180.0° | 179.7° |
| C7 | C1 | C10 | C3 | 15.0° | 0.4° |
| C7 | C1 | C10 | C2 | 165.1° | 179.7° |
| C4 | C3 | C10 | C1 | 17.3° | 0.1° |
| C4 | C3 | C10 | H4 | 180.0° | 180.0° |
| C4 | C3 | C10 | C2 | 162.9° | 180.0° |
| C1 | C10 | C3 | C2 | 179.9° | 179.9° |
| C1 | C10 | C2 | N1 | 54.1° | 90.0° |
| C1 | C10 | C2 | H2 | 177.1° | 150.0° |
| C1 | C10 | C2 | H3 | 68.8° | 30.0° |
| C1 | C10 | C3 | H4 | 162.7° | 180.0° |
| C3 | C10 | C2 | N1 | 126.0° | 89.9° |
| C3 | C10 | C1 | H1 | 165.0° | 179.9° |
| C3 | C10 | C2 | H2 | 3.0° | 30.0° |
| C3 | C10 | C2 | H3 | 111.0° | 150.0° |
| O4 | C15 | C12 | N2 | 179.6° | 180.0° |
| O4 | C15 | C12 | N1 | 43.6° | 0.0° |
| O4 | C15 | C12 | C13 | 73.0° | 113.8° |
| O4 | C15 | C12 | H16 | 166.1° | 123.1° |
| O4 | C15 | N2 | C16 | 0.9° | 4.9° |
| O4 | C15 | N2 | H21 | 179.1° | 175.0° |
| C10 | C2 | N1 | H2 | 123.0° | 119.9° |
| C10 | C2 | N1 | H3 | 123.0° | 120.0° |
| C10 | C2 | N1 | C12 | 69.6° | 172.7° |
| C10 | C2 | N1 | C11 | 146.0° | 69.9° |
| C2 | C10 | C1 | H1 | 14.9° | 0.0° |
| C10 | C2 | H2 | H3 | 109.5° | 120.0° |
| C2 | C10 | C3 | H4 | 17.1° | 0.0° |
| C15 | C12 | N1 | C2 | 92.5° | 81.9° |
| C15 | C12 | N1 | C13 | 122.1° | 118.4° |
| C15 | C12 | N1 | H16 | 122.0° | 123.1° |
| C15 | C12 | C13 | H16 | 120.9° | 123.2° |
| C15 | C12 | N1 | C11 | 116.5° | 157.7° |
| C15 | C12 | C13 | C14 | 92.6° | 155.8° |
| C15 | C12 | C13 | H17 | 26.3° | 37.4° |
| C15 | C12 | C13 | H18 | 148.5° | 85.8° |
| C12 | C15 | N2 | C16 | 179.5° | 175.0° |
| C12 | C15 | N2 | H21 | 0.5° | 5.0° |
| C2 | N1 | C12 | C11 | 151.0° | 120.5° |
| C2 | N1 | C12 | C13 | 145.4° | 159.7° |
| C2 | N1 | C11 | C14 | 165.4° | 145.9° |
| N1 | C2 | H2 | H3 | 109.5° | 120.0° |
| C2 | N1 | C11 | H14 | 46.6° | 26.5° |
| C2 | N1 | C11 | H15 | 75.7° | 94.9° |
| C2 | N1 | C12 | H16 | 29.6° | 41.3° |
| N1 | C12 | C13 | H16 | 116.4° | 118.4° |
| N1 | C12 | C13 | C14 | 30.0° | 37.4° |
| C12 | N1 | C11 | C14 | 20.9° | 25.4° |
| C12 | N1 | C2 | H2 | 53.4° | 52.8° |
| C12 | N1 | C2 | H3 | 167.5° | 67.3° |
| C12 | N1 | C11 | H14 | 97.9° | 94.0° |
| C12 | N1 | C11 | H15 | 139.7° | 144.6° |
| N1 | C12 | C13 | H17 | 149.0° | 81.0° |
| N1 | C12 | C13 | H18 | 88.9° | 155.8° |
| N1 | C12 | C15 | N2 | 136.0° | 180.0° |
| C13 | C12 | N1 | C11 | 5.6° | 39.2° |
| C12 | C13 | C14 | H17 | 119.0° | 118.4° |
| C12 | C13 | C14 | H18 | 118.9° | 118.3° |
| C12 | C13 | C14 | C11 | 43.0° | 22.0° |
| C12 | C13 | H17 | H18 | 123.0° | 123.2° |
| C12 | C13 | C14 | H19 | 75.7° | 96.9° |
| C12 | C13 | C14 | H20 | 161.8° | 140.9° |
| C13 | C12 | C15 | N2 | 107.4° | 66.2° |
| N1 | C11 | C14 | C13 | 38.9° | 1.3° |
| N1 | C11 | C14 | H14 | 118.8° | 119.4° |
| N1 | C11 | C14 | H15 | 118.8° | 119.3° |
| C11 | N1 | C2 | H2 | 91.0° | 170.2° |
| C11 | N1 | C2 | H3 | 23.1° | 50.1° |
| N1 | C11 | H14 | H15 | 123.3° | 121.3° |
| C11 | N1 | C12 | H16 | 121.4° | 79.2° |
| N1 | C11 | C14 | H19 | 79.8° | 120.1° |
| N1 | C11 | C14 | H20 | 157.6° | 117.7° |
| C13 | C14 | C11 | H19 | 118.7° | 118.9° |
| C13 | C14 | C11 | H20 | 118.7° | 119.0° |
| C13 | C14 | C11 | H14 | 79.9° | 118.1° |
| C13 | C14 | C11 | H15 | 157.7° | 120.6° |
| C14 | C13 | C12 | H16 | 146.5° | 81.0° |
| C14 | C13 | H17 | H18 | 123.0° | 123.2° |
| C13 | C14 | H19 | H20 | 123.6° | 122.2° |
| C14 | C11 | H14 | H15 | 123.3° | 121.1° |
| C11 | C14 | C13 | H17 | 162.0° | 96.5° |
| C11 | C14 | C13 | H18 | 75.9° | 140.3° |
| C11 | C14 | H19 | H20 | 123.6° | 122.1° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H14 | C11 | C14 | H19 | 161.3° | 0.8° |
| H14 | C11 | C14 | H20 | 38.8° | 122.9° |
| H15 | C11 | C14 | H19 | 39.0° | 120.5° |
| H15 | C11 | C14 | H20 | 83.5° | 1.6° |
| H16 | C12 | C13 | H17 | 94.6° | 160.6° |
| H16 | C12 | C13 | H18 | 27.5° | 37.4° |
| H16 | C12 | C15 | N2 | 13.5° | 57.0° |
| H17 | C13 | C14 | H19 | 43.3° | 144.7° |
| H17 | C13 | C14 | H20 | 79.3° | 22.5° |
| H18 | C13 | C14 | H19 | 165.3° | 21.5° |
| H18 | C13 | C14 | H20 | 42.8° | 100.8° |
| C16 | N2 | H21 | C15 | 180.0° | 179.9° |
| N2 | C16 | C17 | C18 | 121.8° | 120.1° |
| N2 | C16 | C17 | H22 | 119.9° | 120.0° |
| N2 | C16 | C18 | H22 | 119.8° | 120.0° |
| N2 | C16 | C17 | O5 | 177.1° | 12.7° |
| N2 | C16 | C18 | C19 | 66.9° | 174.9° |
| N2 | C16 | C18 | H23 | 54.0° | 54.8° |
| N2 | C16 | C18 | H24 | 172.2° | 65.1° |
| N2 | C16 | C17 | N3 | 2.1° | 167.2° |
| H21 | N2 | C16 | C17 | 91.0° | 27.2° |
| H21 | N2 | C16 | C18 | 30.4° | 92.9° |
| H21 | N2 | C16 | H22 | 149.6° | 147.2° |
| C17 | C16 | C18 | H22 | 118.3° | 119.9° |
| C16 | C17 | O5 | N3 | 179.1° | 180.0° |
| C17 | C16 | C18 | C19 | 171.1° | 65.0° |
| C17 | C16 | C18 | H23 | 68.0° | 174.9° |
| C17 | C16 | C18 | H24 | 50.2° | 55.0° |
| C16 | C17 | N3 | C22 | 179.5° | 175.2° |
| C16 | C17 | N3 | H32 | 0.5° | 4.8° |
| C17 | C16 | N2 | C15 | 89.0° | 152.9° |
| C18 | C16 | C17 | O5 | 55.3° | 107.3° |
| C16 | C18 | C19 | H23 | 120.9° | 120.1° |
| C16 | C18 | C19 | H24 | 120.9° | 120.0° |
| C16 | C18 | H23 | H24 | 117.2° | 119.9° |
| C16 | C18 | C19 | C20 | 170.9° | 65.2° |
| C16 | C18 | C19 | C21 | 66.9° | 174.8° |
| C16 | C18 | C19 | H25 | 52.1° | 54.8° |
| C18 | C16 | N2 | C15 | 149.6° | 87.1° |
| C18 | C16 | C17 | N3 | 123.9° | 72.7° |
| H22 | C16 | C17 | O5 | 62.9° | 132.7° |
| H22 | C16 | C18 | C19 | 52.8° | 54.9° |
| H22 | C16 | C18 | H23 | 173.7° | 65.2° |
| H22 | C16 | C18 | H24 | 68.0° | 174.9° |
| H22 | C16 | N2 | C15 | 30.4° | 32.9° |
| H22 | C16 | C17 | N3 | 117.9° | 47.2° |
| O5 | C17 | N3 | C22 | 1.3° | 4.8° |
| O5 | C17 | N3 | H32 | 178.7° | 175.2° |
| C19 | C18 | H23 | H24 | 117.2° | 120.0° |
| C18 | C19 | C20 | C21 | 121.4° | 120.0° |
| C18 | C19 | C20 | H25 | 118.7° | 120.0° |
| C18 | C19 | C21 | H25 | 118.9° | 120.1° |
| C18 | C19 | C20 | H26 | 180.0° | 63.3° |
| C18 | C19 | C20 | H27 | 60.0° | 176.7° |
| C18 | C19 | C20 | H28 | 60.0° | 56.7° |
| C18 | C19 | C21 | H29 | 180.0° | 60.0° |
| C18 | C19 | C21 | H30 | 60.0° | 180.0° |
| C18 | C19 | C21 | H31 | 60.0° | 59.9° |
| H23 | C18 | C19 | C20 | 50.0° | 54.9° |
| H23 | C18 | C19 | C21 | 172.2° | 65.1° |
| H23 | C18 | C19 | H25 | 68.8° | 174.8° |
| H24 | C18 | C19 | C20 | 68.2° | 174.8° |
| H24 | C18 | C19 | C21 | 54.0° | 54.8° |
| H24 | C18 | C19 | H25 | 173.0° | 65.2° |
| C20 | C19 | C21 | H25 | 120.0° | 119.9° |
| C19 | C20 | H26 | H27 | 120.0° | 120.0° |
| C19 | C20 | H26 | H28 | 120.0° | 120.0° |
| C19 | C20 | H27 | H28 | 120.0° | 120.0° |
| C20 | C19 | C21 | H29 | 58.9° | 180.0° |
| C20 | C19 | C21 | H30 | 61.1° | 60.0° |
| C20 | C19 | C21 | H31 | 178.8° | 60.1° |
| C21 | C19 | C20 | H26 | 58.6° | 56.7° |
| C21 | C19 | C20 | H27 | 178.6° | 63.3° |
| C21 | C19 | C20 | H28 | 61.4° | 176.7° |
| C19 | C21 | H29 | H30 | 120.0° | 120.1° |
| C19 | C21 | H29 | H31 | 120.0° | 120.0° |
| C19 | C21 | H30 | H31 | 120.0° | 120.1° |
| H25 | C19 | C20 | H26 | 61.3° | 176.7° |
| H25 | C19 | C20 | H27 | 58.7° | 56.7° |
| H25 | C19 | C20 | H28 | 178.7° | 63.3° |
| H25 | C19 | C21 | H29 | 61.1° | 60.1° |
| H25 | C19 | C21 | H30 | 178.9° | 59.9° |
| H25 | C19 | C21 | H31 | 58.9° | 180.0° |
| H26 | C20 | H27 | H28 | 120.0° | 120.0° |
| H29 | C21 | H30 | H31 | 120.0° | 120.0° |
| C22 | N3 | H32 | C17 | 180.0° | 180.0° |
| N3 | C22 | C23 | C24 | 121.2° | 120.0° |
| N3 | C22 | C23 | H33 | 119.8° | 120.0° |
| N3 | C22 | C24 | H33 | 120.1° | 120.0° |
| N3 | C22 | C23 | O6 | 17.0° | 0.0° |
| N3 | C22 | C24 | C25 | 60.2° | 65.0° |
| N3 | C22 | C24 | H34 | 179.2° | 55.0° |
| N3 | C22 | C24 | H35 | 60.4° | 175.0° |
| N3 | C22 | C23 | N6 | 162.0° | 180.0° |
| H32 | N3 | C22 | C23 | 18.8° | 25.0° |
| H32 | N3 | C22 | C24 | 102.6° | 94.9° |
| H32 | N3 | C22 | H33 | 138.0° | 145.0° |
| C23 | C22 | C24 | H33 | 119.1° | 120.0° |
| C22 | C23 | O6 | N6 | 179.0° | 180.0° |
| C23 | C22 | C24 | C25 | 60.6° | 175.0° |
| C23 | C22 | C24 | H34 | 60.0° | 64.9° |
| C23 | C22 | C24 | H35 | 178.8° | 55.1° |
| C22 | C23 | N6 | C28 | 179.4° | 180.0° |
| C22 | C23 | N6 | H40 | 0.6° | 0.0° |
| C23 | C22 | N3 | C17 | 161.2° | 155.0° |
| C24 | C22 | C23 | O6 | 104.2° | 120.0° |
| C22 | C24 | C25 | H34 | 120.6° | 120.0° |
| C22 | C24 | C25 | H35 | 120.6° | 120.0° |
| C22 | C24 | H34 | H35 | 118.2° | 120.0° |
| C22 | C24 | C25 | N4 | 75.1° | 95.0° |
| C22 | C24 | C25 | C26 | 99.1° | 85.3° |
| C24 | C22 | N3 | C17 | 77.4° | 85.0° |
| C24 | C22 | C23 | N6 | 76.7° | 60.1° |
| H33 | C22 | C23 | O6 | 136.8° | 120.0° |
| H33 | C22 | C24 | C25 | 179.7° | 55.0° |
| H33 | C22 | C24 | H34 | 59.1° | 175.0° |
| H33 | C22 | C24 | H35 | 59.7° | 64.9° |
| H33 | C22 | N3 | C17 | 42.0° | 35.0° |
| H33 | C22 | C23 | N6 | 42.3° | 60.0° |
| O6 | C23 | N6 | C28 | 1.5° | 0.0° |
| O6 | C23 | N6 | H40 | 178.4° | 180.0° |
| C25 | C24 | H34 | H35 | 118.2° | 120.0° |
| C24 | C25 | N4 | C26 | 175.5° | 179.7° |
| C24 | C25 | N4 | C27 | 175.0° | 180.0° |
| C24 | C25 | N4 | H36 | 5.0° | 0.1° |
| C24 | C25 | C26 | N5 | 174.4° | 180.0° |
| C24 | C25 | C26 | H37 | 5.5° | 0.0° |
| H34 | C24 | C25 | N4 | 45.5° | 25.0° |
| H34 | C24 | C25 | C26 | 140.3° | 154.7° |
| H35 | C24 | C25 | N4 | 164.3° | 145.0° |
| H35 | C24 | C25 | C26 | 21.4° | 34.7° |
| C25 | N4 | C27 | H36 | 180.0° | 180.0° |
| N4 | C25 | C26 | N5 | 0.5° | 0.2° |
| N4 | C25 | C26 | H37 | 179.5° | 179.7° |
| C25 | N4 | C27 | N5 | 0.2° | 0.1° |
| C25 | N4 | C27 | H38 | 179.7° | 180.0° |
| C26 | C25 | N4 | C27 | 0.5° | 0.2° |
| C26 | C25 | N4 | H36 | 179.5° | 179.8° |
| C25 | C26 | N5 | H37 | 180.0° | 180.0° |
| C25 | C26 | N5 | C27 | 0.4° | 0.2° |
| C25 | C26 | N5 | H39 | 179.6° | 179.9° |
| N4 | C27 | N5 | C26 | 0.1° | 0.0° |
| N4 | C27 | N5 | H38 | 180.0° | 179.9° |
| N4 | C27 | N5 | H39 | 179.9° | 179.8° |
| H36 | N4 | C27 | N5 | 179.7° | 179.9° |
| H36 | N4 | C27 | H38 | 0.3° | 0.0° |
| C26 | N5 | C27 | H39 | 180.0° | 179.7° |
| C26 | N5 | C27 | H38 | 179.9° | 179.9° |
| H37 | C26 | N5 | C27 | 179.6° | 179.8° |
| H37 | C26 | N5 | H39 | 0.4° | 0.1° |
| H38 | C27 | N5 | H39 | 0.1° | 0.1° |
| C28 | N6 | H40 | C23 | 180.0° | 180.0° |
| N6 | C28 | C29 | C30 | 119.8° | 120.0° |
| N6 | C28 | C29 | H41 | 120.5° | 120.1° |
| N6 | C28 | C30 | H41 | 120.9° | 120.1° |
| N6 | C28 | C29 | O7 | 1.4° | 0.0° |
| N6 | C28 | C30 | O8 | 54.7° | 64.9° |
| N6 | C28 | C30 | H42 | 174.7° | 175.0° |
| N6 | C28 | C30 | H43 | 65.3° | 55.0° |
| N6 | C28 | C29 | N7 | 178.6° | 180.0° |
| H40 | N6 | C28 | C29 | 103.5° | 25.0° |
| H40 | N6 | C28 | C30 | 16.2° | 95.0° |
| H40 | N6 | C28 | H41 | 136.6° | 145.0° |
| C29 | C28 | C30 | H41 | 119.7° | 120.0° |
| C28 | C29 | O7 | N7 | 180.0° | 180.0° |
| C29 | C28 | C30 | O8 | 64.8° | 55.0° |
| C29 | C28 | C30 | H42 | 55.3° | 65.0° |
| C29 | C28 | C30 | H43 | 175.3° | 174.9° |
| C28 | C29 | N7 | C31 | 164.6° | 179.9° |
| C28 | C29 | N7 | H45 | 15.4° | 0.0° |
| C29 | C28 | N6 | C23 | 76.5° | 155.0° |
| C30 | C28 | C29 | O7 | 121.1° | 120.0° |
| C28 | C30 | O8 | H42 | 120.0° | 120.0° |
| C28 | C30 | O8 | H43 | 120.0° | 120.0° |
| C28 | C30 | H42 | H43 | 120.1° | 120.0° |
| C28 | C30 | O8 | H44 | 180.0° | 180.0° |
| C30 | C28 | N6 | C23 | 163.8° | 85.0° |
| C30 | C28 | C29 | N7 | 58.8° | 60.0° |
| H41 | C28 | C29 | O7 | 119.2° | 120.0° |
| H41 | C28 | C30 | O8 | 175.6° | 175.0° |
| H41 | C28 | C30 | H42 | 64.4° | 55.0° |
| H41 | C28 | C30 | H43 | 55.6° | 65.1° |
| H41 | C28 | N6 | C23 | 43.4° | 35.0° |
| H41 | C28 | C29 | N7 | 60.9° | 60.0° |
| O7 | C29 | N7 | C31 | 15.4° | 0.1° |
| O7 | C29 | N7 | H45 | 164.6° | 180.0° |
| O8 | C30 | H42 | H43 | 120.0° | 119.9° |
| H42 | C30 | O8 | H44 | 60.0° | 59.9° |
| H43 | C30 | O8 | H44 | 60.0° | 60.1° |
| C31 | N7 | H45 | C29 | 180.0° | 180.0° |
| N7 | C31 | C32 | C34 | 122.5° | 120.0° |
| N7 | C31 | C32 | H46 | 121.0° | 120.0° |
| N7 | C31 | C34 | H46 | 117.6° | 120.0° |
| N7 | C31 | C32 | C33 | 176.0° | 57.4° |
| N7 | C31 | C32 | O9 | 56.1° | 177.4° |
| N7 | C31 | C32 | H47 | 61.5° | 62.6° |
| N7 | C31 | C34 | O13 | 44.7° | 17.7° |
| N7 | C31 | C34 | N8 | 135.3° | 162.3° |
| H45 | N7 | C31 | C32 | 4.2° | 95.0° |
| H45 | N7 | C31 | C34 | 118.5° | 25.0° |
| H45 | N7 | C31 | H46 | 124.5° | 145.0° |
| C32 | C31 | C34 | H46 | 116.2° | 120.0° |
| C31 | C32 | C33 | O9 | 116.2° | 120.0° |
| C31 | C32 | C33 | H47 | 122.0° | 120.0° |
| C31 | C32 | O9 | H47 | 116.4° | 120.0° |
| C31 | C32 | C33 | H48 | 180.0° | 65.1° |
| C31 | C32 | C33 | H49 | 60.0° | 175.0° |
| C31 | C32 | C33 | H50 | 60.0° | 54.9° |
| C31 | C32 | O9 | P1 | 108.9° | 120.1° |
| C32 | C31 | C34 | O13 | 81.5° | 102.4° |
| C32 | C31 | N7 | C29 | 175.8° | 85.0° |
| C32 | C31 | C34 | N8 | 98.5° | 77.7° |
| C34 | C31 | C32 | C33 | 61.5° | 62.6° |
| C34 | C31 | C32 | O9 | 178.6° | 57.4° |
| C34 | C31 | C32 | H47 | 60.9° | 177.4° |
| C31 | C34 | O13 | N8 | 180.0° | 180.0° |
| C31 | C34 | N8 | C35 | 177.1° | 175.0° |
| C31 | C34 | N8 | H53 | 2.8° | 5.1° |
| C34 | C31 | N7 | C29 | 61.5° | 155.0° |
| H46 | C31 | C32 | C33 | 55.0° | 177.4° |
| H46 | C31 | C32 | O9 | 64.9° | 62.6° |
| H46 | C31 | C32 | H47 | 177.4° | 57.4° |
| H46 | C31 | C34 | O13 | 162.3° | 137.7° |
| H46 | C31 | N7 | C29 | 55.6° | 35.0° |
| H46 | C31 | C34 | N8 | 17.7° | 42.3° |
| C33 | C32 | O9 | H47 | 121.1° | 120.0° |
| C32 | C33 | H48 | H49 | 120.0° | 119.9° |
| C32 | C33 | H48 | H50 | 120.0° | 120.0° |
| C32 | C33 | H49 | H50 | 120.0° | 120.0° |
| C33 | C32 | O9 | P1 | 128.7° | 120.0° |
| O9 | C32 | C33 | H48 | 63.8° | 54.9° |
| O9 | C32 | C33 | H49 | 176.2° | 65.0° |
| O9 | C32 | C33 | H50 | 56.2° | 174.9° |
| C32 | O9 | P1 | O10 | 51.6° | 54.9° |
| C32 | O9 | P1 | O11 | 69.3° | 175.0° |
| C32 | O9 | P1 | O12 | 177.0° | 65.0° |
| H47 | C32 | C33 | H48 | 57.9° | 174.9° |
| H47 | C32 | C33 | H49 | 62.0° | 55.0° |
| H47 | C32 | C33 | H50 | 178.0° | 65.1° |
| H47 | C32 | O9 | P1 | 7.6° | 0.0° |
| H48 | C33 | H49 | H50 | 120.0° | 120.0° |
| O9 | P1 | O10 | O11 | 116.7° | 120.0° |
| O9 | P1 | O10 | O12 | 119.3° | 120.0° |
| O9 | P1 | O11 | O12 | 108.9° | 120.0° |
| O9 | P1 | O11 | H51 | 124.3° | 180.0° |
| O9 | P1 | O12 | H52 | 126.3° | 59.9° |
| O10 | P1 | O11 | O12 | 126.8° | 120.0° |
| O10 | P1 | O11 | H51 | 0.0° | 60.0° |
| O10 | P1 | O12 | H52 | 0.0° | 179.9° |
| O11 | P1 | O12 | H52 | 124.7° | 60.1° |
| O12 | P1 | O11 | H51 | 126.8° | 60.0° |
| O13 | C34 | N8 | C35 | 2.9° | 4.9° |
| O13 | C34 | N8 | H53 | 177.2° | 174.9° |
| C35 | N8 | H53 | C34 | 180.0° | 179.9° |
| N8 | C35 | C36 | C37 | 122.1° | 120.0° |
| N8 | C35 | C36 | H54 | 119.9° | 120.0° |
| N8 | C35 | C37 | H54 | 118.7° | 119.9° |
| N8 | C35 | C36 | O14 | 21.6° | 0.0° |
| N8 | C35 | C37 | C38 | 59.3° | 65.0° |
| N8 | C35 | C37 | H55 | 61.1° | 55.0° |
| N8 | C35 | C37 | H56 | 179.7° | 175.1° |
| N8 | C35 | C36 | N9 | 158.1° | 179.9° |
| H53 | N8 | C35 | C36 | 98.8° | 94.9° |
| H53 | N8 | C35 | C37 | 23.6° | 25.1° |
| H53 | N8 | C35 | H54 | 141.8° | 145.1° |
| C36 | C35 | C37 | H54 | 118.0° | 120.1° |
| C35 | C36 | O14 | N9 | 179.6° | 179.9° |
| C36 | C35 | C37 | C38 | 177.4° | 175.0° |
| C36 | C35 | C37 | H55 | 62.2° | 65.0° |
| C36 | C35 | C37 | H56 | 57.0° | 55.1° |
| C35 | C36 | N9 | H62 | 179.6° | 0.1° |
| C35 | C36 | N9 | H63 | 0.3° | 180.0° |
| C36 | C35 | N8 | C34 | 81.2° | 85.0° |
| C37 | C35 | C36 | O14 | 100.6° | 120.0° |
| C35 | C37 | C38 | H55 | 120.4° | 120.0° |
| C35 | C37 | C38 | H56 | 120.4° | 120.0° |
| C35 | C37 | H55 | H56 | 118.8° | 120.0° |
| C35 | C37 | C38 | S1 | 165.2° | 180.0° |
| C35 | C37 | C38 | H57 | 44.7° | 60.0° |
| C35 | C37 | C38 | H58 | 74.4° | 60.0° |
| C37 | C35 | N8 | C34 | 156.3° | 155.0° |
| C37 | C35 | C36 | N9 | 79.8° | 60.1° |
| H54 | C35 | C36 | O14 | 141.5° | 119.9° |
| H54 | C35 | C37 | C38 | 59.4° | 54.9° |
| H54 | C35 | C37 | H55 | 179.8° | 174.9° |
| H54 | C35 | C37 | H56 | 61.0° | 65.0° |
| H54 | C35 | N8 | C34 | 38.2° | 35.1° |
| H54 | C35 | C36 | N9 | 38.2° | 60.0° |
| O14 | C36 | N9 | H62 | 0.0° | 180.0° |
| O14 | C36 | N9 | H63 | 180.0° | 0.1° |
| C38 | C37 | H55 | H56 | 118.8° | 120.0° |
| C37 | C38 | S1 | H57 | 120.4° | 120.0° |
| C37 | C38 | S1 | H58 | 120.4° | 120.0° |
| C37 | C38 | H57 | H58 | 118.6° | 120.1° |
| C37 | C38 | S1 | C39 | 85.4° | 180.0° |
| H55 | C37 | C38 | S1 | 74.4° | 60.0° |
| H55 | C37 | C38 | H57 | 165.1° | 180.0° |
| H55 | C37 | C38 | H58 | 46.0° | 60.0° |
| H56 | C37 | C38 | S1 | 44.8° | 60.0° |
| H56 | C37 | C38 | H57 | 75.7° | 59.9° |
| H56 | C37 | C38 | H58 | 165.2° | 180.0° |
| S1 | C38 | H57 | H58 | 118.6° | 120.0° |
| C38 | S1 | C39 | H59 | 180.0° | 180.0° |
| C38 | S1 | C39 | H60 | 60.0° | 60.0° |
| C38 | S1 | C39 | H61 | 60.0° | 60.0° |
| H57 | C38 | S1 | C39 | 35.1° | 60.0° |
| H58 | C38 | S1 | C39 | 154.2° | 60.0° |
| S1 | C39 | H59 | H60 | 120.0° | 120.0° |
| S1 | C39 | H59 | H61 | 120.0° | 120.0° |
| S1 | C39 | H60 | H61 | 120.0° | 120.0° |
| H59 | C39 | H60 | H61 | 120.0° | 120.0° |
| H62 | N9 | H63 | C36 | 180.0° | 179.9° |
