PRD_000780
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C12 | C3 | sing | 1.55Å | 1.50Å | |
| C12 | C11 | sing | 1.54Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.55Å | 1.53Å | |
| C1 | N1 | sing | 1.48Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | C11 | sing | 1.48Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | C13 | sing | 1.47Å | 1.46Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | O2 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | C19 | sing | 1.46Å | 1.44Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | O3 | doub | 1.21Å | 1.22Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | N4 | sing | 1.34Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.35Å | 1.35Å | Aromatic |
| N4 | C24 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C24 | N5 | sing | 1.35Å | 1.32Å | Aromatic |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| N5 | H39 | sing | 0.97Å | 1.00Å | |
| N6 | C25 | sing | 1.47Å | 1.45Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | O4 | doub | 1.21Å | 1.23Å | |
| C27 | O5 | sing | 1.43Å | 1.42Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| O5 | H44 | sing | 0.97Å | 0.95Å | |
| N7 | C28 | sing | 1.46Å | 1.42Å | |
| N7 | H45 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.53Å | 1.58Å | |
| C28 | C31 | sing | 1.51Å | 1.55Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | O6 | sing | 1.43Å | 1.44Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| O6 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O7 | doub | 1.48Å | 1.45Å | |
| P1 | O8 | sing | 1.61Å | 1.55Å | |
| P1 | O9 | sing | 1.61Å | 1.51Å | |
| O8 | H51 | sing | 0.97Å | 0.95Å | |
| O9 | H52 | sing | 0.97Å | 0.95Å | |
| C31 | O10 | doub | 1.21Å | 1.21Å | |
| N8 | C32 | sing | 1.46Å | 1.45Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | O11 | doub | 1.21Å | 1.22Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | S1 | sing | 1.81Å | 1.79Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C35 | H58 | sing | 1.09Å | 1.10Å | |
| S1 | C36 | sing | 1.81Å | 1.86Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C36 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | H61 | sing | 1.09Å | 1.10Å | |
| N9 | H62 | sing | 0.97Å | 1.00Å | |
| N9 | H63 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C14 | N3 | sing | 1.35Å | 1.32Å | |
| C20 | N6 | sing | 1.35Å | 1.32Å | |
| C26 | N7 | sing | 1.35Å | 1.34Å | |
| C31 | N8 | sing | 1.35Å | 1.33Å | |
| C33 | N9 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C1 | 121.5° | 120.0° |
| O1 | C2 | N2 | 123.0° | 120.0° |
| C2 | C1 | C3 | 113.3° | 110.7° |
| C2 | C1 | N1 | 114.1° | 110.7° |
| C2 | C1 | H1 | 108.4° | 110.7° |
| C1 | C2 | N2 | 115.4° | 120.0° |
| C10 | C9 | C8 | 111.2° | 109.4° |
| C9 | C10 | C5 | 114.8° | 109.5° |
| C10 | C9 | H13 | 109.0° | 109.5° |
| C10 | C9 | H14 | 109.0° | 109.5° |
| C9 | C10 | H15 | 108.1° | 109.4° |
| C9 | C10 | H16 | 108.1° | 109.5° |
| C9 | C8 | C7 | 110.2° | 109.5° |
| C9 | C8 | H11 | 109.3° | 109.5° |
| C9 | C8 | H12 | 109.3° | 109.5° |
| C8 | C9 | H13 | 109.1° | 109.5° |
| C8 | C9 | H14 | 109.0° | 109.5° |
| C10 | C5 | C4 | 112.1° | 109.5° |
| C10 | C5 | C6 | 109.6° | 109.5° |
| C10 | C5 | H6 | 107.6° | 109.5° |
| C5 | C10 | H15 | 108.2° | 109.5° |
| C5 | C10 | H16 | 108.1° | 109.5° |
| C8 | C7 | C6 | 111.4° | 109.5° |
| C8 | C7 | H9 | 109.0° | 109.5° |
| C8 | C7 | H10 | 109.0° | 109.5° |
| C7 | C8 | H11 | 109.3° | 109.5° |
| C7 | C8 | H12 | 109.3° | 109.4° |
| C3 | C12 | C11 | 102.6° | 105.1° |
| C12 | C3 | C1 | 103.3° | 103.0° |
| C12 | C3 | H2 | 111.0° | 110.7° |
| C12 | C3 | H3 | 111.0° | 110.9° |
| C3 | C12 | H19 | 111.1° | 110.3° |
| C3 | C12 | H20 | 111.1° | 110.3° |
| C12 | C11 | N1 | 102.3° | 107.0° |
| C12 | C11 | H17 | 111.2° | 110.0° |
| C12 | C11 | H18 | 111.2° | 110.1° |
| C11 | C12 | H19 | 111.2° | 110.3° |
| C11 | C12 | H20 | 111.1° | 110.3° |
| C4 | C5 | C6 | 112.0° | 109.5° |
| C5 | C4 | N1 | 134.4° | 109.5° |
| C5 | C4 | H4 | 102.9° | 109.5° |
| C5 | C4 | H5 | 102.9° | 109.4° |
| C4 | C5 | H6 | 107.6° | 109.5° |
| C5 | C6 | C7 | 111.2° | 109.5° |
| C6 | C5 | H6 | 107.7° | 109.4° |
| C5 | C6 | H7 | 109.0° | 109.4° |
| C5 | C6 | H8 | 109.0° | 109.5° |
| C3 | C1 | N1 | 103.1° | 103.2° |
| C3 | C1 | H1 | 108.5° | 110.6° |
| C1 | C3 | H2 | 111.0° | 110.7° |
| C1 | C3 | H3 | 111.0° | 110.7° |
| C1 | N1 | C11 | 111.1° | 105.8° |
| C1 | N1 | C4 | 113.7° | 111.0° |
| N1 | C1 | H1 | 109.2° | 110.7° |
| C7 | C6 | H7 | 109.0° | 109.5° |
| C7 | C6 | H8 | 109.0° | 109.5° |
| C6 | C7 | H9 | 109.0° | 109.4° |
| C6 | C7 | H10 | 109.0° | 109.5° |
| C11 | N1 | C4 | 133.4° | 111.0° |
| N1 | C11 | H17 | 111.2° | 109.9° |
| N1 | C11 | H18 | 111.2° | 109.9° |
| N1 | C4 | H4 | 102.9° | 109.5° |
| N1 | C4 | H5 | 102.9° | 109.5° |
| H2 | C3 | H3 | 109.5° | 110.6° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.9° |
| H19 | C12 | H20 | 109.5° | 110.3° |
| C13 | N2 | H21 | 119.0° | 120.0° |
| N2 | C13 | C14 | 115.4° | 109.5° |
| N2 | C13 | C15 | 109.7° | 109.4° |
| N2 | C13 | H22 | 107.8° | 109.4° |
| C13 | N2 | C2 | 122.0° | 120.0° |
| H21 | N2 | C2 | 119.0° | 119.9° |
| C14 | C13 | C15 | 109.7° | 109.5° |
| C14 | C13 | H22 | 107.0° | 109.5° |
| C13 | C14 | O2 | 121.1° | 120.0° |
| C13 | C14 | N3 | 116.2° | 120.0° |
| C15 | C13 | H22 | 106.9° | 109.5° |
| C13 | C15 | C16 | 112.0° | 109.5° |
| C13 | C15 | H23 | 108.8° | 109.5° |
| C13 | C15 | H24 | 108.8° | 109.5° |
| O2 | C14 | N3 | 122.7° | 120.0° |
| C16 | C15 | H23 | 108.9° | 109.5° |
| C16 | C15 | H24 | 108.8° | 109.4° |
| C15 | C16 | C17 | 108.8° | 109.4° |
| C15 | C16 | C18 | 110.0° | 109.5° |
| C15 | C16 | H25 | 108.9° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| C17 | C16 | C18 | 111.5° | 109.5° |
| C17 | C16 | H25 | 108.9° | 109.5° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.4° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| C18 | C16 | H25 | 108.8° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.4° |
| C16 | C18 | H30 | 109.5° | 109.4° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.4° | 109.5° |
| H26 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H31 | 109.4° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| C19 | N3 | H32 | 119.9° | 120.0° |
| N3 | C19 | C20 | 107.9° | 109.5° |
| N3 | C19 | C21 | 110.0° | 109.5° |
| N3 | C19 | H33 | 110.1° | 109.4° |
| C19 | N3 | C14 | 120.3° | 120.0° |
| H32 | N3 | C14 | 119.8° | 120.0° |
| C20 | C19 | C21 | 110.5° | 109.4° |
| C20 | C19 | H33 | 109.2° | 109.5° |
| C19 | C20 | O3 | 120.9° | 120.0° |
| C19 | C20 | N6 | 116.0° | 120.0° |
| C21 | C19 | H33 | 109.1° | 109.5° |
| C19 | C21 | C22 | 113.6° | 109.4° |
| C19 | C21 | H34 | 108.5° | 109.4° |
| C19 | C21 | H35 | 108.4° | 109.5° |
| O3 | C20 | N6 | 123.1° | 120.1° |
| C22 | C21 | H34 | 108.4° | 109.5° |
| C22 | C21 | H35 | 108.4° | 109.5° |
| C21 | C22 | N4 | 122.6° | 126.0° |
| C21 | C22 | C23 | 131.2° | 126.0° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| N4 | C22 | C23 | 106.2° | 108.0° |
| C22 | N4 | C24 | 109.4° | 109.2° |
| C22 | N4 | H36 | 125.3° | 125.4° |
| C22 | C23 | N5 | 107.1° | 106.8° |
| C22 | C23 | H37 | 126.5° | 126.6° |
| C24 | N4 | H36 | 125.3° | 125.3° |
| N4 | C24 | N5 | 108.3° | 108.7° |
| N4 | C24 | H38 | 125.8° | 125.7° |
| N5 | C23 | H37 | 126.5° | 126.6° |
| C23 | N5 | C24 | 109.0° | 107.2° |
| C23 | N5 | H39 | 125.5° | 126.3° |
| N5 | C24 | H38 | 125.8° | 125.6° |
| C24 | N5 | H39 | 125.5° | 126.5° |
| C25 | N6 | H40 | 119.6° | 120.0° |
| N6 | C25 | C26 | 109.7° | 109.5° |
| N6 | C25 | C27 | 109.4° | 109.5° |
| N6 | C25 | H41 | 109.6° | 109.4° |
| C25 | N6 | C20 | 120.8° | 120.0° |
| H40 | N6 | C20 | 119.6° | 120.0° |
| C26 | C25 | C27 | 111.3° | 109.5° |
| C26 | C25 | H41 | 108.4° | 109.5° |
| C25 | C26 | O4 | 121.0° | 120.0° |
| C25 | C26 | N7 | 117.1° | 120.0° |
| C27 | C25 | H41 | 108.4° | 109.5° |
| C25 | C27 | O5 | 111.4° | 109.5° |
| C25 | C27 | H42 | 109.0° | 109.5° |
| C25 | C27 | H43 | 109.0° | 109.5° |
| O4 | C26 | N7 | 121.9° | 120.0° |
| O5 | C27 | H42 | 109.0° | 109.5° |
| O5 | C27 | H43 | 109.0° | 109.5° |
| C27 | O5 | H44 | 109.5° | 114.0° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| C28 | N7 | H45 | 118.6° | 120.1° |
| N7 | C28 | C29 | 112.4° | 109.5° |
| N7 | C28 | C31 | 106.0° | 109.5° |
| N7 | C28 | H46 | 110.5° | 109.5° |
| C28 | N7 | C26 | 122.8° | 120.0° |
| H45 | N7 | C26 | 118.6° | 119.9° |
| C29 | C28 | C31 | 110.8° | 109.5° |
| C29 | C28 | H46 | 108.4° | 109.4° |
| C28 | C29 | C30 | 111.3° | 109.5° |
| C28 | C29 | O6 | 106.3° | 109.5° |
| C28 | C29 | H47 | 109.4° | 109.5° |
| C31 | C28 | H46 | 108.7° | 109.4° |
| C28 | C31 | O10 | 122.0° | 120.0° |
| C28 | C31 | N8 | 116.2° | 120.0° |
| C30 | C29 | O6 | 108.1° | 109.4° |
| C30 | C29 | H47 | 110.3° | 109.5° |
| C29 | C30 | H48 | 109.5° | 109.5° |
| C29 | C30 | H49 | 109.5° | 109.5° |
| C29 | C30 | H50 | 109.5° | 109.5° |
| O6 | C29 | H47 | 111.4° | 109.4° |
| C29 | O6 | P1 | 130.9° | 123.0° |
| H48 | C30 | H49 | 109.4° | 109.5° |
| H48 | C30 | H50 | 109.5° | 109.5° |
| H49 | C30 | H50 | 109.4° | 109.5° |
| O6 | P1 | O7 | 114.6° | 109.5° |
| O6 | P1 | O8 | 102.6° | 109.5° |
| O6 | P1 | O9 | 104.5° | 109.4° |
| O7 | P1 | O8 | 115.2° | 109.5° |
| O7 | P1 | O9 | 113.5° | 109.5° |
| O8 | P1 | O9 | 105.1° | 109.4° |
| P1 | O8 | H51 | 109.5° | 114.1° |
| P1 | O9 | H52 | 109.5° | 114.0° |
| O10 | C31 | N8 | 121.8° | 120.0° |
| C32 | N8 | H53 | 119.7° | 120.0° |
| N8 | C32 | C33 | 112.2° | 109.5° |
| N8 | C32 | C34 | 109.4° | 109.5° |
| N8 | C32 | H54 | 109.0° | 109.5° |
| C32 | N8 | C31 | 120.6° | 120.0° |
| H53 | N8 | C31 | 119.7° | 120.0° |
| C33 | C32 | C34 | 110.0° | 109.4° |
| C33 | C32 | H54 | 108.0° | 109.5° |
| C32 | C33 | O11 | 121.3° | 119.9° |
| C32 | C33 | N9 | 117.0° | 120.0° |
| C34 | C32 | H54 | 108.1° | 109.5° |
| C32 | C34 | C35 | 112.2° | 109.4° |
| C32 | C34 | H55 | 108.8° | 109.5° |
| C32 | C34 | H56 | 108.8° | 109.5° |
| O11 | C33 | N9 | 121.7° | 120.0° |
| C35 | C34 | H55 | 108.8° | 109.5° |
| C35 | C34 | H56 | 108.8° | 109.4° |
| C34 | C35 | S1 | 113.2° | 109.4° |
| C34 | C35 | H57 | 108.5° | 109.5° |
| C34 | C35 | H58 | 108.5° | 109.5° |
| H55 | C34 | H56 | 109.5° | 109.5° |
| S1 | C35 | H57 | 108.5° | 109.5° |
| S1 | C35 | H58 | 108.5° | 109.4° |
| C35 | S1 | C36 | 100.5° | 103.0° |
| H57 | C35 | H58 | 109.5° | 109.5° |
| S1 | C36 | H59 | 109.5° | 109.5° |
| S1 | C36 | H60 | 109.5° | 109.5° |
| S1 | C36 | H61 | 109.5° | 109.5° |
| H59 | C36 | H60 | 109.5° | 109.5° |
| H59 | C36 | H61 | 109.5° | 109.5° |
| H60 | C36 | H61 | 109.4° | 109.4° |
| H62 | N9 | H63 | 120.0° | 120.0° |
| H62 | N9 | C33 | 120.0° | 120.0° |
| H63 | N9 | C33 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C1 | N2 | 179.5° | 180.0° |
| O1 | C2 | C1 | C3 | 81.1° | 118.5° |
| O1 | C2 | C1 | N1 | 36.5° | 4.7° |
| O1 | C2 | C1 | H1 | 158.5° | 118.4° |
| O1 | C2 | N2 | C13 | 1.1° | 5.0° |
| O1 | C2 | N2 | H21 | 178.9° | 175.0° |
| C2 | C1 | C3 | C12 | 94.2° | 155.9° |
| C2 | C1 | C3 | N1 | 123.8° | 118.4° |
| C2 | C1 | C3 | H1 | 120.4° | 123.1° |
| C2 | C1 | N1 | H1 | 121.5° | 123.1° |
| C2 | C1 | N1 | C11 | 116.9° | 157.6° |
| C2 | C1 | N1 | C4 | 76.3° | 81.8° |
| C2 | C1 | C3 | H2 | 146.8° | 37.5° |
| C2 | C1 | C3 | H3 | 24.8° | 85.6° |
| C1 | C2 | N2 | C13 | 178.4° | 175.0° |
| C1 | C2 | N2 | H21 | 1.6° | 5.0° |
| C10 | C9 | C8 | H13 | 120.3° | 120.0° |
| C10 | C9 | C8 | H14 | 120.3° | 120.0° |
| C9 | C10 | C5 | H15 | 120.8° | 120.0° |
| C9 | C10 | C5 | H16 | 120.8° | 120.0° |
| C10 | C9 | C8 | C7 | 54.0° | 60.0° |
| C9 | C10 | C5 | C4 | 176.7° | 180.0° |
| C9 | C10 | C5 | C6 | 51.8° | 60.0° |
| C9 | C10 | C5 | H6 | 65.1° | 60.0° |
| C10 | C9 | C8 | H11 | 174.2° | 60.0° |
| C10 | C9 | C8 | H12 | 66.1° | 180.0° |
| C10 | C9 | H13 | H14 | 119.2° | 120.0° |
| C9 | C10 | H15 | H16 | 117.6° | 120.0° |
| C8 | C9 | C10 | C5 | 52.6° | 60.0° |
| C9 | C8 | C7 | H11 | 120.1° | 120.1° |
| C9 | C8 | C7 | H12 | 120.1° | 120.0° |
| C9 | C8 | C7 | C6 | 58.1° | 60.0° |
| C9 | C8 | C7 | H9 | 62.2° | 180.0° |
| C9 | C8 | C7 | H10 | 178.4° | 60.0° |
| C9 | C8 | H11 | H12 | 119.6° | 120.0° |
| C8 | C9 | H13 | H14 | 119.2° | 120.0° |
| C8 | C9 | C10 | H15 | 68.2° | 180.0° |
| C8 | C9 | C10 | H16 | 173.4° | 60.0° |
| C10 | C5 | C4 | C6 | 123.6° | 120.0° |
| C10 | C5 | C4 | H6 | 118.2° | 120.0° |
| C10 | C5 | C6 | H6 | 116.8° | 120.0° |
| C10 | C5 | C6 | C7 | 53.7° | 60.0° |
| C10 | C5 | C4 | N1 | 122.1° | 175.9° |
| C10 | C5 | C4 | H4 | 114.8° | 55.9° |
| C10 | C5 | C4 | H5 | 1.0° | 64.1° |
| C10 | C5 | C6 | H7 | 66.6° | 60.0° |
| C10 | C5 | C6 | H8 | 174.0° | 180.0° |
| C5 | C10 | C9 | H13 | 67.7° | 180.0° |
| C5 | C10 | C9 | H14 | 172.8° | 60.0° |
| C5 | C10 | H15 | H16 | 117.6° | 120.0° |
| C8 | C7 | C6 | C5 | 58.7° | 60.0° |
| C8 | C7 | C6 | H9 | 120.3° | 120.0° |
| C8 | C7 | C6 | H10 | 120.3° | 120.0° |
| C8 | C7 | C6 | H7 | 61.6° | 60.0° |
| C8 | C7 | C6 | H8 | 179.0° | 180.0° |
| C8 | C7 | H9 | H10 | 119.1° | 120.0° |
| C7 | C8 | H11 | H12 | 119.7° | 119.9° |
| C7 | C8 | C9 | H13 | 66.2° | 180.0° |
| C7 | C8 | C9 | H14 | 174.3° | 60.0° |
| C3 | C12 | C11 | H19 | 118.9° | 118.9° |
| C3 | C12 | C11 | H20 | 118.9° | 118.9° |
| C12 | C3 | C1 | H2 | 119.0° | 118.4° |
| C12 | C3 | C1 | H3 | 119.0° | 118.5° |
| C12 | C3 | C1 | N1 | 29.7° | 37.4° |
| C3 | C12 | C11 | N1 | 37.2° | 1.2° |
| C12 | C3 | C1 | H1 | 145.4° | 81.0° |
| C12 | C3 | H2 | H3 | 122.9° | 123.3° |
| C3 | C12 | C11 | H17 | 156.0° | 118.1° |
| C3 | C12 | C11 | H18 | 81.7° | 120.7° |
| C3 | C12 | H19 | H20 | 123.2° | 122.2° |
| C11 | C12 | C3 | C1 | 41.9° | 21.9° |
| C12 | C11 | N1 | C1 | 19.2° | 25.3° |
| C12 | C11 | N1 | H17 | 118.9° | 119.4° |
| C12 | C11 | N1 | H18 | 118.9° | 119.5° |
| C12 | C11 | N1 | C4 | 177.6° | 145.9° |
| C11 | C12 | C3 | H2 | 77.2° | 96.4° |
| C11 | C12 | C3 | H3 | 160.8° | 140.4° |
| C12 | C11 | H17 | H18 | 123.3° | 121.3° |
| C11 | C12 | H19 | H20 | 123.2° | 122.1° |
| C4 | C5 | C6 | H6 | 118.2° | 120.0° |
| C5 | C4 | N1 | C1 | 53.7° | 167.1° |
| C4 | C5 | C6 | C7 | 178.7° | 180.0° |
| C5 | C4 | N1 | C11 | 143.4° | 75.5° |
| C5 | C4 | N1 | H4 | 123.1° | 120.0° |
| C5 | C4 | N1 | H5 | 123.1° | 120.0° |
| C5 | C4 | H4 | H5 | 109.0° | 120.0° |
| C4 | C5 | C6 | H7 | 58.4° | 60.0° |
| C4 | C5 | C6 | H8 | 61.0° | 60.0° |
| C4 | C5 | C10 | H15 | 56.0° | 60.0° |
| C4 | C5 | C10 | H16 | 62.5° | 60.0° |
| C5 | C6 | C7 | H7 | 120.3° | 120.0° |
| C5 | C6 | C7 | H8 | 120.3° | 120.0° |
| C6 | C5 | C4 | N1 | 114.3° | 64.0° |
| C6 | C5 | C4 | H4 | 8.8° | 175.9° |
| C6 | C5 | C4 | H5 | 122.6° | 56.0° |
| C5 | C6 | H7 | H8 | 119.2° | 120.0° |
| C5 | C6 | C7 | H9 | 61.6° | 180.0° |
| C5 | C6 | C7 | H10 | 179.0° | 60.0° |
| C6 | C5 | C10 | H15 | 69.0° | 180.0° |
| C6 | C5 | C10 | H16 | 172.6° | 60.0° |
| C3 | C1 | N1 | H1 | 115.2° | 118.4° |
| C3 | C1 | N1 | C11 | 6.4° | 39.2° |
| C3 | C1 | N1 | C4 | 160.4° | 159.7° |
| C1 | C3 | H2 | H3 | 122.9° | 123.2° |
| C1 | C3 | C12 | H19 | 77.1° | 140.9° |
| C1 | C3 | C12 | H20 | 160.7° | 97.0° |
| C3 | C1 | C2 | N2 | 99.4° | 61.5° |
| C1 | N1 | C11 | C4 | 163.2° | 120.5° |
| N1 | C1 | C3 | H2 | 89.3° | 81.0° |
| N1 | C1 | C3 | H3 | 148.7° | 155.9° |
| C1 | N1 | C4 | H4 | 69.4° | 72.9° |
| C1 | N1 | C4 | H5 | 176.8° | 47.1° |
| C1 | N1 | C11 | H17 | 138.0° | 94.1° |
| C1 | N1 | C11 | H18 | 99.7° | 144.8° |
| N1 | C1 | C2 | N2 | 143.0° | 175.3° |
| C7 | C6 | C5 | H6 | 63.1° | 60.0° |
| C7 | C6 | H7 | H8 | 119.2° | 120.0° |
| C6 | C7 | H9 | H10 | 119.1° | 120.0° |
| C6 | C7 | C8 | H11 | 178.2° | 60.0° |
| C6 | C7 | C8 | H12 | 62.0° | 180.0° |
| C11 | N1 | C1 | H1 | 121.6° | 79.2° |
| C11 | N1 | C4 | H4 | 93.5° | 44.5° |
| C11 | N1 | C4 | H5 | 20.3° | 164.5° |
| N1 | C11 | H17 | H18 | 123.3° | 121.1° |
| N1 | C11 | C12 | H19 | 81.7° | 117.7° |
| N1 | C11 | C12 | H20 | 156.1° | 120.2° |
| C4 | N1 | C1 | H1 | 45.2° | 41.3° |
| N1 | C4 | H4 | H5 | 109.0° | 120.0° |
| N1 | C4 | C5 | H6 | 3.9° | 55.9° |
| C4 | N1 | C11 | H17 | 58.8° | 26.5° |
| C4 | N1 | C11 | H18 | 63.5° | 94.6° |
| H1 | C1 | C3 | H2 | 26.4° | 160.6° |
| H1 | C1 | C3 | H3 | 95.6° | 37.5° |
| H1 | C1 | C2 | N2 | 21.0° | 61.6° |
| H2 | C3 | C12 | H19 | 163.9° | 22.5° |
| H2 | C3 | C12 | H20 | 41.7° | 144.6° |
| H3 | C3 | C12 | H19 | 41.9° | 100.7° |
| H3 | C3 | C12 | H20 | 80.3° | 21.5° |
| H4 | C4 | C5 | H6 | 127.0° | 64.1° |
| H5 | C4 | C5 | H6 | 119.2° | 175.9° |
| H6 | C5 | C6 | H7 | 176.6° | 180.0° |
| H6 | C5 | C6 | H8 | 57.1° | 60.0° |
| H6 | C5 | C10 | H15 | 174.1° | 60.0° |
| H6 | C5 | C10 | H16 | 55.7° | 180.0° |
| H7 | C6 | C7 | H9 | 178.2° | 60.0° |
| H7 | C6 | C7 | H10 | 58.7° | 180.0° |
| H8 | C6 | C7 | H9 | 58.7° | 60.0° |
| H8 | C6 | C7 | H10 | 60.7° | 59.9° |
| H9 | C7 | C8 | H11 | 57.9° | 59.9° |
| H9 | C7 | C8 | H12 | 177.7° | 60.0° |
| H10 | C7 | C8 | H11 | 61.5° | 180.0° |
| H10 | C7 | C8 | H12 | 58.3° | 60.0° |
| H11 | C8 | C9 | H13 | 53.9° | 60.0° |
| H11 | C8 | C9 | H14 | 65.6° | 180.0° |
| H12 | C8 | C9 | H13 | 173.7° | 60.0° |
| H12 | C8 | C9 | H14 | 54.2° | 60.0° |
| H13 | C9 | C10 | H15 | 171.5° | 60.0° |
| H13 | C9 | C10 | H16 | 53.1° | 60.0° |
| H14 | C9 | C10 | H15 | 52.0° | 60.0° |
| H14 | C9 | C10 | H16 | 66.4° | NaN° |
| H17 | C11 | C12 | H19 | 37.1° | 122.9° |
| H17 | C11 | C12 | H20 | 85.1° | 0.8° |
| H18 | C11 | C12 | H19 | 159.4° | 1.7° |
| H18 | C11 | C12 | H20 | 37.2° | 120.4° |
| C13 | N2 | H21 | C2 | 180.0° | 180.0° |
| N2 | C13 | C14 | C15 | 124.5° | 120.0° |
| N2 | C13 | C14 | H22 | 119.9° | 120.0° |
| N2 | C13 | C15 | H22 | 116.6° | 120.0° |
| N2 | C13 | C14 | O2 | 163.9° | 22.7° |
| N2 | C13 | C15 | C16 | 72.1° | 179.7° |
| N2 | C13 | C15 | H23 | 48.3° | 59.7° |
| N2 | C13 | C15 | H24 | 167.5° | 60.3° |
| N2 | C13 | C14 | N3 | 16.2° | 157.3° |
| H21 | N2 | C13 | C14 | 104.3° | 21.9° |
| H21 | N2 | C13 | C15 | 20.2° | 98.1° |
| H21 | N2 | C13 | H22 | 136.2° | 141.9° |
| C14 | C13 | C15 | H22 | 115.7° | 120.1° |
| C13 | C14 | O2 | N3 | 179.9° | 180.0° |
| C14 | C13 | C15 | C16 | 160.2° | 60.3° |
| C14 | C13 | C15 | H23 | 79.4° | 179.6° |
| C14 | C13 | C15 | H24 | 39.9° | 59.7° |
| C13 | C14 | N3 | C19 | 179.1° | 176.0° |
| C13 | C14 | N3 | H32 | 0.9° | 4.0° |
| C14 | C13 | N2 | C2 | 75.7° | 158.1° |
| C15 | C13 | C14 | O2 | 71.6° | 97.3° |
| C13 | C15 | C16 | H23 | 120.4° | 120.1° |
| C13 | C15 | C16 | H24 | 120.4° | 120.0° |
| C13 | C15 | H23 | H24 | 118.9° | 120.0° |
| C13 | C15 | C16 | C17 | 177.6° | 64.6° |
| C13 | C15 | C16 | C18 | 55.3° | 175.4° |
| C13 | C15 | C16 | H25 | 63.9° | 55.4° |
| C15 | C13 | N2 | C2 | 159.8° | 81.9° |
| C15 | C13 | C14 | N3 | 108.3° | 82.7° |
| H22 | C13 | C14 | O2 | 44.0° | 142.7° |
| H22 | C13 | C15 | C16 | 44.5° | 59.8° |
| H22 | C13 | C15 | H23 | 164.9° | 60.3° |
| H22 | C13 | C15 | H24 | 75.9° | 179.7° |
| H22 | C13 | N2 | C2 | 43.7° | 38.0° |
| H22 | C13 | C14 | N3 | 136.0° | 37.3° |
| O2 | C14 | N3 | C19 | 1.0° | 4.0° |
| O2 | C14 | N3 | H32 | 179.0° | 176.0° |
| C16 | C15 | H23 | H24 | 118.9° | 120.0° |
| C15 | C16 | C17 | C18 | 121.5° | 120.0° |
| C15 | C16 | C17 | H25 | 118.5° | 120.0° |
| C15 | C16 | C18 | H25 | 119.2° | 120.0° |
| C15 | C16 | C17 | H26 | 180.0° | 63.9° |
| C15 | C16 | C17 | H27 | 60.0° | 176.1° |
| C15 | C16 | C17 | H28 | 60.0° | 56.2° |
| C15 | C16 | C18 | H29 | 180.0° | 60.0° |
| C15 | C16 | C18 | H30 | 60.0° | 180.0° |
| C15 | C16 | C18 | H31 | 60.0° | 60.0° |
| H23 | C15 | C16 | C17 | 62.0° | 55.4° |
| H23 | C15 | C16 | C18 | 175.6° | 64.5° |
| H23 | C15 | C16 | H25 | 56.5° | 175.4° |
| H24 | C15 | C16 | C17 | 57.2° | 175.4° |
| H24 | C15 | C16 | C18 | 65.1° | 55.4° |
| H24 | C15 | C16 | H25 | 175.8° | 64.6° |
| C17 | C16 | C18 | H25 | 120.1° | 120.1° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H28 | 120.0° | 119.9° |
| C17 | C16 | C18 | H29 | 59.3° | 180.0° |
| C17 | C16 | C18 | H30 | 60.7° | 60.1° |
| C17 | C16 | C18 | H31 | 179.2° | 60.0° |
| C18 | C16 | C17 | H26 | 58.5° | 56.1° |
| C18 | C16 | C17 | H27 | 178.5° | 63.9° |
| C18 | C16 | C17 | H28 | 61.5° | 176.1° |
| C16 | C18 | H29 | H30 | 120.0° | 119.9° |
| C16 | C18 | H29 | H31 | 120.0° | 120.0° |
| C16 | C18 | H30 | H31 | 120.0° | 120.0° |
| H25 | C16 | C17 | H26 | 61.5° | 176.2° |
| H25 | C16 | C17 | H27 | 58.5° | 56.1° |
| H25 | C16 | C17 | H28 | 178.5° | 63.8° |
| H25 | C16 | C18 | H29 | 60.8° | 60.0° |
| H25 | C16 | C18 | H30 | 179.2° | 60.0° |
| H25 | C16 | C18 | H31 | 59.2° | 180.0° |
| H26 | C17 | H27 | H28 | 120.0° | 120.0° |
| H29 | C18 | H30 | H31 | 120.0° | 120.0° |
| C19 | N3 | H32 | C14 | 180.0° | 180.0° |
| N3 | C19 | C20 | C21 | 120.3° | 120.0° |
| N3 | C19 | C20 | H33 | 119.7° | 120.0° |
| N3 | C19 | C21 | H33 | 120.9° | 120.0° |
| N3 | C19 | C20 | O3 | 4.6° | 0.0° |
| N3 | C19 | C21 | C22 | 52.9° | 65.0° |
| N3 | C19 | C21 | H34 | 173.5° | 55.0° |
| N3 | C19 | C21 | H35 | 67.7° | 175.0° |
| N3 | C19 | C20 | N6 | 176.0° | 180.0° |
| H32 | N3 | C19 | C20 | 28.7° | 25.0° |
| H32 | N3 | C19 | C21 | 91.9° | 95.0° |
| H32 | N3 | C19 | H33 | 147.8° | 145.0° |
| C20 | C19 | C21 | H33 | 120.1° | 120.0° |
| C19 | C20 | O3 | N6 | 179.3° | 179.9° |
| C20 | C19 | C21 | C22 | 66.1° | 175.0° |
| C20 | C19 | C21 | H34 | 54.5° | 65.0° |
| C20 | C19 | C21 | H35 | 173.3° | 55.0° |
| C19 | C20 | N6 | C25 | 179.8° | 179.9° |
| C19 | C20 | N6 | H40 | 0.2° | 0.0° |
| C20 | C19 | N3 | C14 | 151.3° | 155.0° |
| C21 | C19 | C20 | O3 | 124.9° | 120.1° |
| C19 | C21 | C22 | H34 | 120.6° | 119.9° |
| C19 | C21 | C22 | H35 | 120.6° | 120.0° |
| C19 | C21 | H34 | H35 | 118.1° | 120.0° |
| C19 | C21 | C22 | N4 | 58.0° | 95.0° |
| C19 | C21 | C22 | C23 | 123.1° | 85.4° |
| C21 | C19 | N3 | C14 | 88.1° | 85.0° |
| C21 | C19 | C20 | N6 | 55.7° | 60.0° |
| H33 | C19 | C20 | O3 | 115.1° | 120.0° |
| H33 | C19 | C21 | C22 | 173.8° | 55.0° |
| H33 | C19 | C21 | H34 | 65.6° | 175.0° |
| H33 | C19 | C21 | H35 | 53.3° | 65.0° |
| H33 | C19 | N3 | C14 | 32.2° | 35.0° |
| H33 | C19 | C20 | N6 | 64.3° | 60.0° |
| O3 | C20 | N6 | C25 | 0.4° | 0.0° |
| O3 | C20 | N6 | H40 | 179.5° | 180.0° |
| C22 | C21 | H34 | H35 | 118.1° | 120.0° |
| C21 | C22 | N4 | C23 | 179.2° | 179.7° |
| C21 | C22 | N4 | C24 | 179.0° | 180.0° |
| C21 | C22 | N4 | H36 | 1.0° | 0.2° |
| C21 | C22 | C23 | N5 | 178.9° | 179.9° |
| C21 | C22 | C23 | H37 | 1.1° | 0.0° |
| H34 | C21 | C22 | N4 | 62.6° | 24.9° |
| H34 | C21 | C22 | C23 | 116.3° | 154.7° |
| H35 | C21 | C22 | N4 | 178.6° | 144.9° |
| H35 | C21 | C22 | C23 | 2.5° | 34.7° |
| C22 | N4 | C24 | H36 | 180.0° | 179.9° |
| N4 | C22 | C23 | N5 | 0.1° | 0.3° |
| N4 | C22 | C23 | H37 | 179.9° | 179.7° |
| C22 | N4 | C24 | N5 | 0.1° | 0.2° |
| C22 | N4 | C24 | H38 | 179.9° | 180.0° |
| C23 | C22 | N4 | C24 | 0.1° | 0.3° |
| C23 | C22 | N4 | H36 | 179.9° | 179.8° |
| C22 | C23 | N5 | H37 | 180.0° | 180.0° |
| C22 | C23 | N5 | C24 | 0.1° | 0.1° |
| C22 | C23 | N5 | H39 | 180.0° | 180.0° |
| N4 | C24 | N5 | C23 | 0.0° | 0.1° |
| N4 | C24 | N5 | H38 | 180.0° | 179.8° |
| N4 | C24 | N5 | H39 | 180.0° | 179.8° |
| H36 | N4 | C24 | N5 | 179.9° | 179.9° |
| H36 | N4 | C24 | H38 | 0.1° | 0.2° |
| C23 | N5 | C24 | H39 | 180.0° | 179.9° |
| C23 | N5 | C24 | H38 | 180.0° | 179.8° |
| H37 | C23 | N5 | C24 | 179.9° | 179.8° |
| H37 | C23 | N5 | H39 | 0.1° | 0.0° |
| H38 | C24 | N5 | H39 | 0.0° | 0.0° |
| C25 | N6 | H40 | C20 | 180.0° | 180.0° |
| N6 | C25 | C26 | C27 | 121.2° | 120.0° |
| N6 | C25 | C26 | H41 | 119.7° | 119.9° |
| N6 | C25 | C27 | H41 | 119.5° | 120.0° |
| N6 | C25 | C26 | O4 | 15.1° | 0.1° |
| N6 | C25 | C27 | O5 | 58.5° | 65.0° |
| N6 | C25 | C27 | H42 | 178.8° | 175.0° |
| N6 | C25 | C27 | H43 | 61.9° | 55.0° |
| N6 | C25 | C26 | N7 | 165.3° | 180.0° |
| H40 | N6 | C25 | C26 | 88.4° | 25.1° |
| H40 | N6 | C25 | C27 | 33.9° | 95.0° |
| H40 | N6 | C25 | H41 | 152.7° | 145.0° |
| C26 | C25 | C27 | H41 | 119.1° | 120.0° |
| C25 | C26 | O4 | N7 | 179.6° | 179.9° |
| C26 | C25 | C27 | O5 | 63.0° | 55.0° |
| C26 | C25 | C27 | H42 | 57.3° | 65.0° |
| C26 | C25 | C27 | H43 | 176.7° | 175.0° |
| C25 | C26 | N7 | C28 | 157.7° | 180.0° |
| C25 | C26 | N7 | H45 | 22.3° | 0.1° |
| C26 | C25 | N6 | C20 | 91.6° | 155.0° |
| C27 | C25 | C26 | O4 | 136.3° | 120.0° |
| C25 | C27 | O5 | H42 | 120.3° | 120.0° |
| C25 | C27 | O5 | H43 | 120.3° | 120.0° |
| C25 | C27 | H42 | H43 | 119.1° | 120.0° |
| C25 | C27 | O5 | H44 | 180.0° | 180.0° |
| C27 | C25 | N6 | C20 | 146.1° | 85.0° |
| C27 | C25 | C26 | N7 | 44.1° | 60.0° |
| H41 | C25 | C26 | O4 | 104.6° | 120.0° |
| H41 | C25 | C27 | O5 | 177.9° | 175.0° |
| H41 | C25 | C27 | H42 | 61.7° | 55.0° |
| H41 | C25 | C27 | H43 | 57.6° | 65.0° |
| H41 | C25 | N6 | C20 | 27.3° | 35.0° |
| H41 | C25 | C26 | N7 | 75.0° | 60.1° |
| O4 | C26 | N7 | C28 | 21.9° | 0.1° |
| O4 | C26 | N7 | H45 | 158.1° | 180.0° |
| O5 | C27 | H42 | H43 | 119.1° | 120.0° |
| H42 | C27 | O5 | H44 | 59.7° | 60.0° |
| H43 | C27 | O5 | H44 | 59.7° | 60.0° |
| C28 | N7 | H45 | C26 | 180.0° | 179.9° |
| N7 | C28 | C29 | C31 | 118.5° | 120.0° |
| N7 | C28 | C29 | H46 | 122.4° | 120.0° |
| N7 | C28 | C31 | H46 | 118.8° | 120.0° |
| N7 | C28 | C29 | C30 | 177.4° | 60.0° |
| N7 | C28 | C29 | O6 | 59.9° | 59.9° |
| N7 | C28 | C29 | H47 | 60.4° | 179.9° |
| N7 | C28 | C31 | O10 | 46.1° | 160.9° |
| N7 | C28 | C31 | N8 | 134.5° | 19.1° |
| H45 | N7 | C28 | C29 | 17.5° | 95.0° |
| H45 | N7 | C28 | C31 | 103.7° | 25.1° |
| H45 | N7 | C28 | H46 | 138.7° | 145.1° |
| C29 | C28 | C31 | H46 | 119.0° | 119.9° |
| C28 | C29 | C30 | O6 | 116.4° | 120.0° |
| C28 | C29 | C30 | H47 | 121.6° | 120.1° |
| C28 | C29 | O6 | H47 | 119.1° | 120.0° |
| C28 | C29 | C30 | H48 | 180.0° | 59.9° |
| C28 | C29 | C30 | H49 | 60.0° | 180.0° |
| C28 | C29 | C30 | H50 | 60.0° | 60.0° |
| C28 | C29 | O6 | P1 | 114.8° | 119.6° |
| C29 | C28 | C31 | O10 | 76.1° | 79.1° |
| C29 | C28 | N7 | C26 | 162.5° | 85.0° |
| C29 | C28 | C31 | N8 | 103.2° | 100.9° |
| C31 | C28 | C29 | C30 | 64.1° | 179.9° |
| C31 | C28 | C29 | O6 | 178.4° | 60.1° |
| C31 | C28 | C29 | H47 | 58.0° | 59.9° |
| C28 | C31 | O10 | N8 | 179.3° | 179.9° |
| C28 | C31 | N8 | C32 | 178.8° | 175.7° |
| C28 | C31 | N8 | H53 | 1.2° | 4.2° |
| C31 | C28 | N7 | C26 | 76.3° | 155.0° |
| H46 | C28 | C29 | C30 | 55.1° | 60.0° |
| H46 | C28 | C29 | O6 | 62.4° | 180.0° |
| H46 | C28 | C29 | H47 | 177.2° | 60.1° |
| H46 | C28 | C31 | O10 | 164.9° | 40.9° |
| H46 | C28 | N7 | C26 | 41.3° | 35.0° |
| H46 | C28 | C31 | N8 | 15.7° | 139.2° |
| C30 | C29 | O6 | H47 | 121.3° | 120.0° |
| C29 | C30 | H48 | H49 | 120.0° | 120.0° |
| C29 | C30 | H48 | H50 | 120.0° | 120.0° |
| C29 | C30 | H49 | H50 | 120.0° | 120.0° |
| C30 | C29 | O6 | P1 | 125.6° | 120.4° |
| O6 | C29 | C30 | H48 | 63.6° | 60.0° |
| O6 | C29 | C30 | H49 | 176.4° | 60.0° |
| O6 | C29 | C30 | H50 | 56.4° | 180.0° |
| C29 | O6 | P1 | O7 | 51.8° | 56.5° |
| C29 | O6 | P1 | O8 | 73.8° | 63.6° |
| C29 | O6 | P1 | O9 | 176.7° | 176.5° |
| H47 | C29 | C30 | H48 | 58.4° | 180.0° |
| H47 | C29 | C30 | H49 | 61.7° | 60.0° |
| H47 | C29 | C30 | H50 | 178.4° | 60.0° |
| H47 | C29 | O6 | P1 | 4.3° | 0.4° |
| H48 | C30 | H49 | H50 | 120.0° | 120.0° |
| O6 | P1 | O7 | O8 | 118.7° | 120.0° |
| O6 | P1 | O7 | O9 | 120.1° | 120.0° |
| O6 | P1 | O8 | O9 | 109.1° | 119.9° |
| O6 | P1 | O8 | H51 | 125.2° | 59.9° |
| O6 | P1 | O9 | H52 | 125.6° | 180.0° |
| O7 | P1 | O8 | O9 | 125.7° | 120.0° |
| O7 | P1 | O8 | H51 | 0.0° | 180.0° |
| O7 | P1 | O9 | H52 | 0.0° | 60.0° |
| O8 | P1 | O9 | H52 | 126.7° | 60.0° |
| O9 | P1 | O8 | H51 | 125.7° | 60.0° |
| O10 | C31 | N8 | C32 | 1.8° | 4.3° |
| O10 | C31 | N8 | H53 | 178.1° | 175.8° |
| C32 | N8 | H53 | C31 | 180.0° | 179.9° |
| N8 | C32 | C33 | C34 | 122.0° | 120.0° |
| N8 | C32 | C33 | H54 | 120.2° | 120.0° |
| N8 | C32 | C34 | H54 | 118.5° | 120.0° |
| N8 | C32 | C33 | O11 | 58.6° | 10.1° |
| N8 | C32 | C34 | C35 | 45.1° | 65.0° |
| N8 | C32 | C34 | H55 | 75.3° | 55.0° |
| N8 | C32 | C34 | H56 | 165.5° | 175.0° |
| N8 | C32 | C33 | N9 | 121.4° | 169.9° |
| H53 | N8 | C32 | C33 | 102.6° | 96.3° |
| H53 | N8 | C32 | C34 | 19.8° | 23.7° |
| H53 | N8 | C32 | H54 | 137.8° | 143.7° |
| C33 | C32 | C34 | H54 | 117.7° | 119.9° |
| C32 | C33 | O11 | N9 | 180.0° | 180.0° |
| C33 | C32 | C34 | C35 | 168.8° | 174.9° |
| C33 | C32 | C34 | H55 | 48.4° | 65.0° |
| C33 | C32 | C34 | H56 | 70.8° | 55.0° |
| C32 | C33 | N9 | H62 | 180.0° | 0.0° |
| C32 | C33 | N9 | H63 | 0.0° | 180.0° |
| C33 | C32 | N8 | C31 | 77.4° | 83.6° |
| C34 | C32 | C33 | O11 | 63.4° | 109.9° |
| C32 | C34 | C35 | H55 | 120.4° | 120.0° |
| C32 | C34 | C35 | H56 | 120.4° | 120.0° |
| C32 | C34 | H55 | H56 | 118.7° | 120.0° |
| C32 | C34 | C35 | S1 | 164.0° | 180.0° |
| C32 | C34 | C35 | H57 | 43.5° | 60.0° |
| C32 | C34 | C35 | H58 | 75.4° | 60.0° |
| C34 | C32 | N8 | C31 | 160.2° | 156.4° |
| C34 | C32 | C33 | N9 | 116.5° | 70.1° |
| H54 | C32 | C33 | O11 | 178.8° | 130.2° |
| H54 | C32 | C34 | C35 | 73.5° | 55.0° |
| H54 | C32 | C34 | H55 | 166.1° | 175.0° |
| H54 | C32 | C34 | H56 | 47.0° | 64.9° |
| H54 | C32 | N8 | C31 | 42.2° | 36.4° |
| H54 | C32 | C33 | N9 | 1.2° | 49.8° |
| O11 | C33 | N9 | H62 | 0.0° | 180.0° |
| O11 | C33 | N9 | H63 | 180.0° | 0.1° |
| C35 | C34 | H55 | H56 | 118.7° | 120.0° |
| C34 | C35 | S1 | H57 | 120.5° | 120.0° |
| C34 | C35 | S1 | H58 | 120.5° | 120.0° |
| C34 | C35 | H57 | H58 | 118.3° | 120.0° |
| C34 | C35 | S1 | C36 | 82.3° | 180.0° |
| H55 | C34 | C35 | S1 | 75.6° | 60.0° |
| H55 | C34 | C35 | H57 | 163.9° | 180.0° |
| H55 | C34 | C35 | H58 | 45.0° | 60.0° |
| H56 | C34 | C35 | S1 | 43.6° | 60.1° |
| H56 | C34 | C35 | H57 | 76.9° | 60.0° |
| H56 | C34 | C35 | H58 | 164.1° | 180.0° |
| S1 | C35 | H57 | H58 | 118.3° | 120.0° |
| C35 | S1 | C36 | H59 | 180.0° | 60.0° |
| C35 | S1 | C36 | H60 | 60.0° | 60.0° |
| C35 | S1 | C36 | H61 | 60.0° | 180.0° |
| H57 | C35 | S1 | C36 | 38.2° | 60.0° |
| H58 | C35 | S1 | C36 | 157.2° | 60.0° |
| S1 | C36 | H59 | H60 | 120.0° | 120.0° |
| S1 | C36 | H59 | H61 | 120.0° | 120.0° |
| S1 | C36 | H60 | H61 | 120.0° | 120.0° |
| H59 | C36 | H60 | H61 | 120.0° | 120.0° |
| H62 | N9 | H63 | C33 | 180.0° | 180.0° |
