PRD_002583
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.19Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | C4 | sing | 1.35Å | 1.45Å | |
| C4 | O2 | doub | 1.21Å | 1.18Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| N2 | C5 | sing | 1.47Å | 1.46Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.55Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.51Å | 1.58Å | |
| O3 | C7 | doub | 1.21Å | 1.19Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | C15 | doub | 1.21Å | 1.18Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | N6 | sing | 1.35Å | 1.45Å | |
| C14 | N5 | sing | 1.47Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N4 | sing | 1.47Å | 1.46Å | |
| C9 | O4 | doub | 1.21Å | 1.19Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| N5 | H24 | sing | 1.01Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N7 | C16 | sing | 1.47Å | 1.45Å | |
| N7 | H27 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | O6 | doub | 1.21Å | 1.26Å | |
| C18 | O7 | sing | 1.34Å | 1.26Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C19 | O8 | sing | 1.43Å | 1.37Å | |
| C21 | O9 | sing | 1.43Å | 1.42Å | |
| C27 | O9 | sing | 1.43Å | 1.42Å | |
| C22 | O10 | sing | 1.43Å | 1.44Å | |
| C19 | O11 | sing | 1.43Å | 1.48Å | |
| C23 | O11 | sing | 1.43Å | 1.47Å | |
| C24 | O12 | sing | 1.43Å | 1.39Å | |
| C25 | O13 | doub | 1.21Å | 1.18Å | |
| C28 | O14 | doub | 1.21Å | 1.19Å | |
| C20 | N8 | sing | 1.47Å | 1.49Å | |
| C25 | N8 | sing | 1.35Å | 1.46Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N8 | H35 | sing | 0.97Å | 1.00Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C24 | H47 | sing | 1.09Å | 1.10Å | |
| O12 | H48 | sing | 0.97Å | 0.95Å | |
| O8 | H49 | sing | 0.97Å | 0.95Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | O17 | sing | 1.43Å | 1.46Å | |
| C30 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | N9 | sing | 1.46Å | 1.49Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.46Å | |
| C32 | O15 | sing | 1.43Å | 1.47Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | O16 | sing | 1.43Å | 1.45Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.48Å | |
| C34 | O17 | sing | 1.43Å | 1.50Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C35 | O18 | sing | 1.43Å | 1.40Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | N9 | sing | 1.35Å | 1.47Å | |
| C36 | O19 | doub | 1.21Å | 1.18Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| N9 | H60 | sing | 0.97Å | 1.00Å | |
| O15 | H61 | sing | 0.97Å | 0.95Å | |
| O16 | H62 | sing | 0.97Å | 0.95Å | |
| O18 | H63 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.49Å | |
| C7 | N4 | sing | 1.35Å | 1.48Å | |
| C9 | N7 | sing | 1.35Å | 1.47Å | |
| O10 | C30 | sing | 1.43Å | 1.40Å | |
| N1 | C28 | sing | 1.35Å | 1.49Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.9° | 120.0° |
| N1 | C1 | C2 | 113.1° | 109.5° |
| N1 | C1 | C3 | 108.2° | 109.5° |
| N1 | C1 | H2 | 109.8° | 109.4° |
| C1 | N1 | C28 | 120.1° | 120.0° |
| H1 | N1 | C28 | 119.9° | 120.0° |
| C2 | C1 | C3 | 108.2° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.4° |
| C1 | C2 | O1 | 121.7° | 120.0° |
| C1 | C2 | N2 | 117.0° | 120.0° |
| C3 | C1 | H2 | 108.8° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| O1 | C2 | N2 | 121.3° | 120.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| N3 | C4 | O2 | 120.3° | 120.0° |
| N3 | C4 | C5 | 120.7° | 120.0° |
| C4 | N3 | H7 | 120.0° | 120.0° |
| C4 | N3 | H8 | 120.0° | 120.0° |
| O2 | C4 | C5 | 119.0° | 120.0° |
| C4 | C5 | N2 | 111.9° | 109.4° |
| C4 | C5 | C6 | 109.6° | 109.5° |
| C4 | C5 | H9 | 109.6° | 109.5° |
| C5 | N2 | H6 | 119.1° | 120.0° |
| N2 | C5 | C6 | 106.5° | 109.5° |
| N2 | C5 | H9 | 110.2° | 109.5° |
| C5 | N2 | C2 | 121.9° | 120.0° |
| H6 | N2 | C2 | 119.0° | 120.0° |
| H7 | N3 | H8 | 120.0° | 120.1° |
| C6 | C5 | H9 | 108.9° | 109.5° |
| C5 | C6 | C8 | 111.8° | 109.5° |
| C5 | C6 | H10 | 108.9° | 109.4° |
| C5 | C6 | H11 | 108.9° | 109.5° |
| C8 | C6 | H10 | 108.9° | 109.5° |
| C8 | C6 | H11 | 108.9° | 109.5° |
| C6 | C8 | C7 | 112.0° | 109.5° |
| C6 | C8 | H12 | 108.9° | 109.4° |
| C6 | C8 | H13 | 108.8° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C8 | C7 | O3 | 120.3° | 120.0° |
| C7 | C8 | H12 | 108.8° | 109.5° |
| C7 | C8 | H13 | 108.8° | 109.5° |
| C8 | C7 | N4 | 119.4° | 120.0° |
| O3 | C7 | N4 | 120.3° | 120.0° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| O5 | C15 | C14 | 119.9° | 120.0° |
| O5 | C15 | N6 | 120.4° | 120.0° |
| C14 | C15 | N6 | 119.7° | 119.9° |
| C15 | C14 | N5 | 110.8° | 109.5° |
| C15 | C14 | C13 | 107.3° | 109.5° |
| C15 | C14 | H21 | 109.4° | 109.5° |
| C15 | N6 | H25 | 120.0° | 120.0° |
| C15 | N6 | H26 | 120.0° | 120.0° |
| N5 | C14 | C13 | 109.5° | 109.4° |
| N5 | C14 | H21 | 110.5° | 109.4° |
| C14 | N5 | H23 | 109.5° | 111.0° |
| C14 | N5 | H24 | 109.4° | 110.9° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H19 | 108.9° | 109.5° |
| C14 | C13 | H20 | 109.0° | 109.4° |
| C13 | C14 | H21 | 109.3° | 109.5° |
| C13 | C12 | C11 | 111.9° | 109.5° |
| C13 | C12 | H17 | 108.9° | 109.5° |
| C13 | C12 | H18 | 108.9° | 109.5° |
| C12 | C13 | H19 | 108.9° | 109.5° |
| C12 | C13 | H20 | 108.9° | 109.4° |
| C12 | C11 | C10 | 111.2° | 109.5° |
| C12 | C11 | H15 | 109.0° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.5° |
| C11 | C12 | H17 | 108.9° | 109.5° |
| C11 | C12 | H18 | 108.9° | 109.5° |
| C9 | C10 | C11 | 109.1° | 109.5° |
| C9 | C10 | N4 | 109.7° | 109.5° |
| C10 | C9 | O4 | 120.4° | 120.0° |
| C9 | C10 | H14 | 109.0° | 109.5° |
| C10 | C9 | N7 | 118.6° | 120.0° |
| C11 | C10 | N4 | 110.5° | 109.5° |
| C11 | C10 | H14 | 108.8° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C10 | C11 | H16 | 109.0° | 109.5° |
| N4 | C10 | H14 | 109.7° | 109.4° |
| C10 | N4 | H22 | 120.4° | 120.0° |
| C10 | N4 | C7 | 119.1° | 120.0° |
| O4 | C9 | N7 | 120.9° | 120.0° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H22 | N4 | C7 | 120.5° | 120.0° |
| H23 | N5 | H24 | 109.5° | 111.0° |
| H25 | N6 | H26 | 120.0° | 120.0° |
| C16 | N7 | H27 | 119.7° | 120.0° |
| N7 | C16 | C17 | 108.8° | 109.5° |
| N7 | C16 | C18 | 110.0° | 109.5° |
| N7 | C16 | H28 | 110.2° | 109.5° |
| C16 | N7 | C9 | 120.6° | 120.0° |
| H27 | N7 | C9 | 119.7° | 120.0° |
| C17 | C16 | C18 | 109.6° | 109.5° |
| C17 | C16 | H28 | 109.0° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C16 | C17 | H30 | 109.5° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.5° |
| C18 | C16 | H28 | 109.1° | 109.4° |
| C16 | C18 | O6 | 120.5° | 120.0° |
| C16 | C18 | O7 | 119.8° | 120.0° |
| H29 | C17 | H30 | 109.5° | 109.4° |
| H29 | C17 | H31 | 109.4° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| O6 | C18 | O7 | 119.7° | 120.0° |
| C18 | O7 | H32 | 109.5° | 117.0° |
| C19 | C20 | C21 | 111.5° | 109.2° |
| C20 | C19 | O8 | 108.4° | 109.5° |
| C20 | C19 | O11 | 111.1° | 109.4° |
| C19 | C20 | N8 | 108.5° | 109.5° |
| C20 | C19 | H33 | 108.4° | 109.4° |
| C19 | C20 | H34 | 109.0° | 109.6° |
| C20 | C21 | C22 | 112.8° | 109.0° |
| C20 | C21 | O9 | 107.5° | 109.5° |
| C21 | C20 | N8 | 108.6° | 109.5° |
| C21 | C20 | H34 | 109.6° | 109.6° |
| C20 | C21 | H39 | 108.2° | 109.5° |
| C21 | C22 | C23 | 111.4° | 109.1° |
| C22 | C21 | O9 | 111.1° | 109.5° |
| C21 | C22 | O10 | 108.7° | 109.5° |
| C22 | C21 | H39 | 108.1° | 109.6° |
| C21 | C22 | H44 | 109.6° | 109.6° |
| C22 | C23 | C24 | 110.5° | 109.5° |
| C23 | C22 | O10 | 107.9° | 109.5° |
| C22 | C23 | O11 | 111.9° | 109.4° |
| C23 | C22 | H44 | 108.9° | 109.5° |
| C22 | C23 | H45 | 108.1° | 109.5° |
| C24 | C23 | O11 | 108.7° | 109.5° |
| C23 | C24 | O12 | 108.4° | 109.4° |
| C24 | C23 | H45 | 108.7° | 109.5° |
| C23 | C24 | H46 | 109.7° | 109.5° |
| C23 | C24 | H47 | 109.8° | 109.4° |
| C26 | C25 | O13 | 119.6° | 120.1° |
| C26 | C25 | N8 | 121.5° | 120.0° |
| C25 | C26 | H36 | 109.5° | 109.5° |
| C25 | C26 | H37 | 109.4° | 109.5° |
| C25 | C26 | H38 | 109.4° | 109.5° |
| C28 | C27 | C29 | 108.2° | 109.5° |
| C28 | C27 | O9 | 112.3° | 109.5° |
| C27 | C28 | O14 | 121.1° | 120.0° |
| C28 | C27 | H40 | 108.4° | 109.5° |
| C27 | C28 | N1 | 118.9° | 120.0° |
| C29 | C27 | O9 | 109.3° | 109.4° |
| C29 | C27 | H40 | 108.6° | 109.5° |
| C27 | C29 | H41 | 109.5° | 109.5° |
| C27 | C29 | H42 | 109.5° | 109.5° |
| C27 | C29 | H43 | 109.4° | 109.5° |
| O8 | C19 | O11 | 109.3° | 109.5° |
| O8 | C19 | H33 | 110.7° | 109.5° |
| C19 | O8 | H49 | 109.5° | 114.0° |
| C21 | O9 | C27 | 114.0° | 114.0° |
| O9 | C21 | H39 | 109.0° | 109.6° |
| O9 | C27 | H40 | 110.0° | 109.5° |
| O10 | C22 | H44 | 110.2° | 109.6° |
| C22 | O10 | C30 | 112.3° | 114.0° |
| C19 | O11 | C23 | 111.0° | 114.1° |
| O11 | C19 | H33 | 109.0° | 109.5° |
| O11 | C23 | H45 | 109.0° | 109.5° |
| O12 | C24 | H46 | 109.8° | 109.5° |
| O12 | C24 | H47 | 109.7° | 109.5° |
| C24 | O12 | H48 | 109.5° | 114.0° |
| O13 | C25 | N8 | 118.8° | 120.0° |
| O14 | C28 | N1 | 120.1° | 120.0° |
| C20 | N8 | C25 | 121.4° | 120.0° |
| N8 | C20 | H34 | 109.5° | 109.5° |
| C20 | N8 | H35 | 119.3° | 120.0° |
| C25 | N8 | H35 | 119.3° | 120.0° |
| H36 | C26 | H37 | 109.4° | 109.5° |
| H36 | C26 | H38 | 109.5° | 109.5° |
| H37 | C26 | H38 | 109.5° | 109.4° |
| H41 | C29 | H42 | 109.4° | 109.5° |
| H41 | C29 | H43 | 109.5° | 109.5° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| H46 | C24 | H47 | 109.4° | 109.5° |
| C31 | C30 | O17 | 112.8° | 109.4° |
| C31 | C30 | H50 | 108.2° | 109.4° |
| C30 | C31 | C32 | 114.6° | 109.1° |
| C30 | C31 | N9 | 107.5° | 109.5° |
| C30 | C31 | H51 | 108.7° | 109.5° |
| C31 | C30 | O10 | 108.1° | 109.5° |
| O17 | C30 | H50 | 109.2° | 109.5° |
| C30 | O17 | C34 | 112.0° | 114.1° |
| O17 | C30 | O10 | 108.7° | 109.5° |
| H50 | C30 | O10 | 110.0° | 109.4° |
| C32 | C31 | N9 | 107.7° | 109.6° |
| C32 | C31 | H51 | 109.1° | 109.5° |
| C31 | C32 | C33 | 113.8° | 109.1° |
| C31 | C32 | O15 | 107.3° | 109.5° |
| C31 | C32 | H52 | 108.7° | 109.6° |
| N9 | C31 | H51 | 109.1° | 109.6° |
| C31 | N9 | C36 | 120.9° | 120.0° |
| C31 | N9 | H60 | 119.5° | 120.0° |
| C33 | C32 | O15 | 108.8° | 109.5° |
| C33 | C32 | H52 | 109.1° | 109.6° |
| C32 | C33 | C34 | 111.9° | 109.1° |
| C32 | C33 | O16 | 108.5° | 109.5° |
| C32 | C33 | H53 | 109.3° | 109.6° |
| O15 | C32 | H52 | 109.1° | 109.6° |
| C32 | O15 | H61 | 109.5° | 114.0° |
| C34 | C33 | O16 | 108.8° | 109.5° |
| C34 | C33 | H53 | 108.6° | 109.5° |
| C33 | C34 | C35 | 109.6° | 109.5° |
| C33 | C34 | O17 | 111.0° | 109.4° |
| C33 | C34 | H54 | 108.8° | 109.5° |
| O16 | C33 | H53 | 109.6° | 109.5° |
| C33 | O16 | H62 | 109.5° | 114.0° |
| C35 | C34 | O17 | 108.9° | 109.5° |
| C35 | C34 | H54 | 109.4° | 109.5° |
| C34 | C35 | O18 | 108.5° | 109.5° |
| C34 | C35 | H55 | 109.7° | 109.5° |
| C34 | C35 | H56 | 109.7° | 109.5° |
| O17 | C34 | H54 | 109.1° | 109.5° |
| O18 | C35 | H55 | 109.7° | 109.5° |
| O18 | C35 | H56 | 109.7° | 109.4° |
| C35 | O18 | H63 | 109.5° | 114.0° |
| H55 | C35 | H56 | 109.5° | 109.4° |
| C37 | C36 | N9 | 119.5° | 120.0° |
| C37 | C36 | O19 | 120.2° | 120.0° |
| C36 | C37 | H57 | 109.5° | 109.5° |
| C36 | C37 | H58 | 109.4° | 109.5° |
| C36 | C37 | H59 | 109.5° | 109.4° |
| N9 | C36 | O19 | 120.4° | 120.0° |
| C36 | N9 | H60 | 119.6° | 120.1° |
| H57 | C37 | H58 | 109.5° | 109.5° |
| H57 | C37 | H59 | 109.5° | 109.5° |
| H58 | C37 | H59 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C28 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 119.9° | 120.1° |
| N1 | C1 | C2 | H2 | 122.2° | 119.9° |
| N1 | C1 | C3 | H2 | 119.3° | 120.0° |
| N1 | C1 | C2 | O1 | 18.4° | 0.1° |
| N1 | C1 | C3 | H3 | 180.0° | 180.0° |
| N1 | C1 | C3 | H4 | 60.0° | 60.0° |
| N1 | C1 | C3 | H5 | 60.0° | 60.0° |
| C1 | N1 | C28 | C27 | 179.3° | 180.0° |
| C1 | N1 | C28 | O14 | 0.5° | 0.1° |
| N1 | C1 | C2 | N2 | 161.5° | 180.0° |
| H1 | N1 | C1 | C2 | 105.3° | 25.1° |
| H1 | N1 | C1 | C3 | 14.6° | 94.9° |
| H1 | N1 | C1 | H2 | 133.3° | 145.0° |
| H1 | N1 | C28 | C27 | 0.8° | 0.2° |
| H1 | N1 | C28 | O14 | 179.4° | 179.8° |
| C2 | C1 | C3 | H2 | 117.7° | 120.0° |
| C1 | C2 | O1 | N2 | 179.9° | 180.0° |
| C2 | C1 | C3 | H3 | 57.0° | 60.0° |
| C2 | C1 | C3 | H4 | 177.1° | 180.0° |
| C2 | C1 | C3 | H5 | 62.9° | 60.0° |
| C1 | C2 | N2 | C5 | 179.6° | 179.9° |
| C1 | C2 | N2 | H6 | 0.4° | 0.0° |
| C2 | C1 | N1 | C28 | 74.7° | 154.7° |
| C3 | C1 | C2 | O1 | 101.5° | 120.0° |
| C1 | C3 | H3 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C1 | C2 | N2 | 78.6° | 60.0° |
| C3 | C1 | N1 | C28 | 165.4° | 85.2° |
| H2 | C1 | C2 | O1 | 140.6° | 120.0° |
| H2 | C1 | C3 | H3 | 60.7° | 60.0° |
| H2 | C1 | C3 | H4 | 59.3° | 60.0° |
| H2 | C1 | C3 | H5 | 179.3° | 180.0° |
| H2 | C1 | C2 | N2 | 39.3° | 60.0° |
| H2 | C1 | N1 | C28 | 46.8° | 34.8° |
| O1 | C2 | N2 | C5 | 0.4° | 0.0° |
| O1 | C2 | N2 | H6 | 179.6° | 180.0° |
| H3 | C3 | H4 | H5 | 119.9° | 120.0° |
| N3 | C4 | O2 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | N2 | 35.3° | 180.0° |
| C4 | N3 | H7 | H8 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 82.6° | 60.0° |
| N3 | C4 | C5 | H9 | 157.9° | 60.0° |
| O2 | C4 | C5 | N2 | 144.6° | 0.0° |
| O2 | C4 | N3 | H7 | 0.0° | 0.0° |
| O2 | C4 | N3 | H8 | 180.0° | 180.0° |
| O2 | C4 | C5 | C6 | 97.4° | 120.0° |
| O2 | C4 | C5 | H9 | 22.1° | 120.0° |
| C4 | C5 | N2 | C6 | 119.8° | 120.0° |
| C4 | C5 | N2 | H9 | 122.2° | 120.0° |
| C4 | C5 | N2 | H6 | 93.7° | 95.0° |
| C5 | C4 | N3 | H7 | 180.0° | 180.0° |
| C5 | C4 | N3 | H8 | 0.1° | 0.0° |
| C4 | C5 | C6 | H9 | 119.9° | 120.0° |
| C4 | C5 | C6 | C8 | 168.2° | 175.0° |
| C4 | C5 | C6 | H10 | 71.5° | 55.0° |
| C4 | C5 | C6 | H11 | 47.9° | 65.0° |
| C4 | C5 | N2 | C2 | 86.2° | 85.0° |
| C5 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C5 | C6 | H9 | 118.8° | 120.0° |
| N2 | C5 | C6 | C8 | 47.0° | 65.1° |
| N2 | C5 | C6 | H10 | 167.3° | 175.0° |
| N2 | C5 | C6 | H11 | 73.4° | 55.0° |
| H6 | N2 | C5 | C6 | 26.0° | 25.0° |
| H6 | N2 | C5 | H9 | 144.1° | 145.0° |
| C5 | C6 | C8 | H10 | 120.3° | 120.0° |
| C5 | C6 | C8 | H11 | 120.3° | 120.0° |
| C5 | C6 | H10 | H11 | 119.0° | 120.0° |
| C5 | C6 | C8 | C7 | 179.1° | 180.0° |
| C5 | C6 | C8 | H12 | 60.6° | 60.0° |
| C5 | C6 | C8 | H13 | 58.7° | 60.0° |
| C6 | C5 | N2 | C2 | 154.0° | 155.0° |
| H9 | C5 | C6 | C8 | 71.9° | 55.0° |
| H9 | C5 | C6 | H10 | 48.4° | 65.0° |
| H9 | C5 | C6 | H11 | 167.8° | 175.0° |
| H9 | C5 | N2 | C2 | 35.9° | 34.9° |
| C8 | C6 | H10 | H11 | 119.0° | 120.0° |
| C6 | C8 | C7 | H12 | 120.4° | 120.0° |
| C6 | C8 | C7 | H13 | 120.4° | 120.0° |
| C6 | C8 | C7 | O3 | 62.3° | 0.0° |
| C6 | C8 | H12 | H13 | 118.9° | 120.0° |
| C6 | C8 | C7 | N4 | 117.8° | 180.0° |
| H10 | C6 | C8 | C7 | 58.7° | 60.0° |
| H10 | C6 | C8 | H12 | 179.1° | 180.0° |
| H10 | C6 | C8 | H13 | 61.6° | 60.0° |
| H11 | C6 | C8 | C7 | 60.6° | 60.0° |
| H11 | C6 | C8 | H12 | 59.8° | 60.0° |
| H11 | C6 | C8 | H13 | 179.0° | 180.0° |
| C8 | C7 | O3 | N4 | 179.9° | 180.0° |
| C7 | C8 | H12 | H13 | 118.9° | 120.0° |
| C8 | C7 | N4 | C10 | 179.8° | 180.0° |
| C8 | C7 | N4 | H22 | 0.2° | 0.1° |
| O3 | C7 | C8 | H12 | 177.3° | 120.0° |
| O3 | C7 | C8 | H13 | 58.1° | 120.0° |
| O3 | C7 | N4 | C10 | 0.3° | 0.0° |
| O3 | C7 | N4 | H22 | 179.7° | 180.0° |
| H12 | C8 | C7 | N4 | 2.6° | 60.0° |
| H13 | C8 | C7 | N4 | 121.8° | 60.0° |
| O5 | C15 | C14 | N6 | 179.5° | 180.0° |
| O5 | C15 | C14 | N5 | 160.6° | 20.0° |
| O5 | C15 | C14 | C13 | 80.0° | 100.0° |
| O5 | C15 | C14 | H21 | 38.5° | 140.0° |
| O5 | C15 | N6 | H25 | 0.0° | 180.0° |
| O5 | C15 | N6 | H26 | 180.0° | 0.1° |
| C15 | C14 | N5 | C13 | 118.1° | 120.0° |
| C15 | C14 | N5 | H21 | 121.4° | 120.0° |
| C15 | C14 | C13 | H21 | 118.5° | 120.1° |
| C15 | C14 | C13 | C12 | 146.6° | 175.0° |
| C15 | C14 | C13 | H19 | 26.3° | 64.9° |
| C15 | C14 | C13 | H20 | 93.1° | 55.1° |
| C15 | C14 | N5 | H23 | 180.0° | 60.0° |
| C15 | C14 | N5 | H24 | 60.0° | 64.0° |
| C14 | C15 | N6 | H25 | 179.5° | 0.0° |
| C14 | C15 | N6 | H26 | 0.5° | 180.0° |
| N6 | C15 | C14 | N5 | 19.9° | 160.0° |
| N6 | C15 | C14 | C13 | 99.6° | 80.0° |
| N6 | C15 | C14 | H21 | 142.0° | 40.0° |
| C15 | N6 | H25 | H26 | 180.0° | 180.0° |
| N5 | C14 | C13 | H21 | 121.2° | 120.0° |
| N5 | C14 | C13 | C12 | 93.1° | 65.0° |
| N5 | C14 | C13 | H19 | 146.6° | 55.0° |
| N5 | C14 | C13 | H20 | 27.2° | 175.0° |
| C14 | N5 | H23 | H24 | 120.0° | 123.9° |
| C14 | C13 | C12 | H19 | 120.3° | 120.1° |
| C14 | C13 | C12 | H20 | 120.3° | 120.0° |
| C14 | C13 | C12 | C11 | 114.8° | 180.0° |
| C14 | C13 | C12 | H17 | 5.5° | 60.0° |
| C14 | C13 | C12 | H18 | 124.8° | 60.0° |
| C14 | C13 | H19 | H20 | 119.1° | 120.0° |
| C13 | C14 | N5 | H23 | 61.9° | 60.0° |
| C13 | C14 | N5 | H24 | 58.2° | 176.0° |
| C13 | C12 | C11 | H17 | 120.4° | 120.0° |
| C13 | C12 | C11 | H18 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 159.6° | 180.0° |
| C13 | C12 | C11 | H15 | 80.1° | 60.0° |
| C13 | C12 | C11 | H16 | 39.3° | 60.0° |
| C13 | C12 | H17 | H18 | 118.9° | 120.0° |
| C12 | C13 | H19 | H20 | 119.0° | 120.0° |
| C12 | C13 | C14 | H21 | 28.1° | 55.0° |
| C12 | C11 | C10 | C9 | 91.0° | 175.0° |
| C12 | C11 | C10 | H15 | 120.3° | 120.0° |
| C12 | C11 | C10 | H16 | 120.3° | 120.0° |
| C12 | C11 | C10 | N4 | 148.3° | 65.0° |
| C12 | C11 | C10 | H14 | 27.7° | 55.0° |
| C12 | C11 | H15 | H16 | 119.2° | 120.0° |
| C11 | C12 | H17 | H18 | 118.9° | 120.0° |
| C11 | C12 | C13 | H19 | 124.9° | 60.0° |
| C11 | C12 | C13 | H20 | 5.5° | 60.0° |
| C9 | C10 | C11 | N4 | 120.7° | 120.0° |
| C9 | C10 | C11 | H14 | 118.8° | 120.0° |
| C9 | C10 | N4 | H14 | 119.6° | 119.9° |
| C10 | C9 | O4 | N7 | 179.9° | 179.9° |
| C9 | C10 | C11 | H15 | 29.2° | 65.0° |
| C9 | C10 | C11 | H16 | 148.7° | 55.0° |
| C9 | C10 | N4 | H22 | 124.3° | 95.1° |
| C10 | C9 | N7 | C16 | 179.9° | 179.9° |
| C10 | C9 | N7 | H27 | 0.1° | 0.0° |
| C9 | C10 | N4 | C7 | 55.7° | 85.0° |
| C11 | C10 | N4 | H14 | 120.0° | 120.0° |
| C11 | C10 | C9 | O4 | 89.3° | 119.9° |
| C10 | C11 | H15 | H16 | 119.2° | 120.0° |
| C10 | C11 | C12 | H17 | 39.2° | 60.0° |
| C10 | C11 | C12 | H18 | 80.1° | 60.0° |
| C11 | C10 | N4 | H22 | 4.0° | 25.0° |
| C11 | C10 | N4 | C7 | 176.0° | 155.0° |
| C11 | C10 | C9 | N7 | 90.8° | 60.0° |
| N4 | C10 | C9 | O4 | 31.9° | 0.1° |
| N4 | C10 | C11 | H15 | 91.4° | 55.0° |
| N4 | C10 | C11 | H16 | 28.0° | 175.0° |
| C10 | N4 | H22 | C7 | 180.0° | 180.0° |
| N4 | C10 | C9 | N7 | 148.0° | 180.0° |
| O4 | C9 | C10 | H14 | 152.0° | 120.0° |
| O4 | C9 | N7 | C16 | 0.2° | 0.0° |
| O4 | C9 | N7 | H27 | 179.8° | 180.0° |
| H14 | C10 | C11 | H15 | 148.0° | 174.9° |
| H14 | C10 | C11 | H16 | 92.5° | 65.0° |
| H14 | C10 | N4 | H22 | 116.0° | 145.0° |
| H14 | C10 | N4 | C7 | 64.0° | 35.0° |
| H14 | C10 | C9 | N7 | 27.9° | 60.1° |
| H15 | C11 | C12 | H17 | 159.5° | NaN° |
| H15 | C11 | C12 | H18 | 40.2° | 60.0° |
| H16 | C11 | C12 | H17 | 81.0° | 60.0° |
| H16 | C11 | C12 | H18 | 159.7° | 180.0° |
| H17 | C12 | C13 | H19 | 114.8° | 179.9° |
| H17 | C12 | C13 | H20 | 125.8° | 60.0° |
| H18 | C12 | C13 | H19 | 4.5° | 60.1° |
| H18 | C12 | C13 | H20 | 114.9° | 180.0° |
| H19 | C13 | C14 | H21 | 92.2° | 175.0° |
| H20 | C13 | C14 | H21 | 148.4° | 65.0° |
| H21 | C14 | N5 | H23 | 58.6° | 180.0° |
| H21 | C14 | N5 | H24 | 178.6° | 56.0° |
| C16 | N7 | H27 | C9 | 180.0° | 180.0° |
| N7 | C16 | C17 | C18 | 120.4° | 120.0° |
| N7 | C16 | C17 | H28 | 120.2° | 120.0° |
| N7 | C16 | C18 | H28 | 121.0° | 120.0° |
| N7 | C16 | C17 | H29 | 180.0° | 60.0° |
| N7 | C16 | C17 | H30 | 60.0° | 60.0° |
| N7 | C16 | C17 | H31 | 60.0° | 180.0° |
| N7 | C16 | C18 | O6 | 13.8° | 0.0° |
| N7 | C16 | C18 | O7 | 166.4° | 180.0° |
| H27 | N7 | C16 | C17 | 88.3° | 95.0° |
| H27 | N7 | C16 | C18 | 31.9° | 25.0° |
| H27 | N7 | C16 | H28 | 152.2° | 145.0° |
| C17 | C16 | C18 | H28 | 119.3° | 120.0° |
| C16 | C17 | H29 | H30 | 120.0° | 120.0° |
| C16 | C17 | H29 | H31 | 120.0° | 120.1° |
| C16 | C17 | H30 | H31 | 120.0° | 120.1° |
| C17 | C16 | C18 | O6 | 133.4° | 120.0° |
| C17 | C16 | C18 | O7 | 46.8° | 60.0° |
| C17 | C16 | N7 | C9 | 91.7° | 85.0° |
| C18 | C16 | C17 | H29 | 59.7° | 60.1° |
| C18 | C16 | C17 | H30 | 60.4° | 180.0° |
| C18 | C16 | C17 | H31 | 179.6° | 60.0° |
| C16 | C18 | O6 | O7 | 179.8° | 180.0° |
| C16 | C18 | O7 | H32 | 179.8° | 180.0° |
| C18 | C16 | N7 | C9 | 148.1° | 155.0° |
| H28 | C16 | C17 | H29 | 59.7° | NaN° |
| H28 | C16 | C17 | H30 | 179.8° | 60.1° |
| H28 | C16 | C17 | H31 | 60.3° | 59.9° |
| H28 | C16 | C18 | O6 | 107.2° | 120.0° |
| H28 | C16 | C18 | O7 | 72.6° | 60.0° |
| H28 | C16 | N7 | C9 | 27.8° | 35.1° |
| H29 | C17 | H30 | H31 | 120.0° | 120.0° |
| O6 | C18 | O7 | H32 | 0.0° | 0.0° |
| C19 | C20 | C21 | N8 | 119.5° | 119.9° |
| C19 | C20 | C21 | H34 | 120.9° | 120.0° |
| C19 | C20 | C21 | C22 | 52.6° | 57.0° |
| C20 | C19 | O8 | O11 | 121.2° | 119.9° |
| C20 | C19 | O8 | H33 | 118.7° | 120.0° |
| C19 | C20 | C21 | O9 | 175.5° | 176.9° |
| C20 | C19 | O11 | H33 | 119.4° | 119.9° |
| C20 | C19 | O11 | C23 | 57.1° | 61.2° |
| C19 | C20 | N8 | H34 | 118.9° | 120.2° |
| C19 | C20 | N8 | C25 | 122.7° | 86.6° |
| C19 | C20 | N8 | H35 | 57.3° | 93.4° |
| C19 | C20 | C21 | H39 | 66.9° | 62.9° |
| C20 | C19 | O8 | H49 | 180.0° | 180.0° |
| C20 | C21 | C22 | O9 | 120.8° | 119.8° |
| C20 | C21 | C22 | H39 | 119.6° | 119.9° |
| C20 | C21 | C22 | C23 | 51.3° | 57.0° |
| C21 | C20 | C19 | O8 | 65.1° | 62.4° |
| C20 | C21 | O9 | H39 | 117.0° | 120.2° |
| C20 | C21 | O9 | C27 | 136.4° | 98.6° |
| C20 | C21 | C22 | O10 | 170.2° | 176.9° |
| C21 | C20 | C19 | O11 | 55.0° | 57.6° |
| C21 | C20 | N8 | H34 | 119.7° | 120.2° |
| C21 | C20 | N8 | C25 | 115.9° | 153.7° |
| C21 | C20 | C19 | H33 | 174.7° | 177.6° |
| C21 | C20 | N8 | H35 | 64.1° | 26.2° |
| C20 | C21 | C22 | H44 | 69.3° | 62.9° |
| C21 | C22 | C23 | O10 | 119.3° | 119.9° |
| C21 | C22 | C23 | H44 | 121.0° | 119.9° |
| C21 | C22 | C23 | C24 | 174.3° | 177.6° |
| C22 | C21 | O9 | H39 | 119.1° | 120.3° |
| C22 | C21 | O9 | C27 | 99.8° | 141.9° |
| C21 | C22 | O10 | H44 | 120.1° | 120.2° |
| C21 | C22 | C23 | O11 | 53.1° | 57.6° |
| C22 | C21 | C20 | N8 | 172.2° | 176.9° |
| C22 | C21 | C20 | H34 | 68.2° | 62.9° |
| C21 | C22 | C23 | H45 | 66.9° | 62.4° |
| C21 | C22 | O10 | C30 | 127.5° | 139.2° |
| C22 | C23 | C24 | O11 | 123.1° | 119.9° |
| C22 | C23 | C24 | H45 | 118.4° | 120.0° |
| C23 | C22 | C21 | O9 | 172.1° | 176.8° |
| C23 | C22 | O10 | H44 | 118.9° | 120.2° |
| C22 | C23 | O11 | C19 | 56.2° | 61.2° |
| C22 | C23 | O11 | H45 | 119.5° | 120.0° |
| C22 | C23 | C24 | O12 | 72.3° | 175.7° |
| C23 | C22 | C21 | H39 | 68.2° | 62.9° |
| C22 | C23 | C24 | H46 | 167.9° | 55.6° |
| C22 | C23 | C24 | H47 | 47.6° | 64.4° |
| C23 | C22 | O10 | C30 | 111.6° | 101.1° |
| C24 | C23 | C22 | O10 | 66.4° | 62.5° |
| C24 | C23 | O11 | C19 | 178.5° | 178.9° |
| C24 | C23 | O11 | H45 | 118.3° | 120.1° |
| C23 | C24 | O12 | H46 | 119.8° | 120.0° |
| C23 | C24 | O12 | H47 | 119.9° | 119.9° |
| C24 | C23 | C22 | H44 | 53.3° | 57.7° |
| C23 | C24 | H46 | H47 | 120.5° | 120.0° |
| C23 | C24 | O12 | H48 | 180.0° | 180.0° |
| C26 | C25 | O13 | N8 | 179.9° | 180.0° |
| C26 | C25 | N8 | C20 | 0.1° | 180.0° |
| C26 | C25 | N8 | H35 | 179.9° | 0.1° |
| C25 | C26 | H36 | H37 | 120.0° | 120.1° |
| C25 | C26 | H36 | H38 | 120.0° | 120.0° |
| C25 | C26 | H37 | H38 | 120.0° | 120.0° |
| C28 | C27 | C29 | O9 | 122.6° | 120.0° |
| C28 | C27 | C29 | H40 | 117.5° | 120.0° |
| C28 | C27 | O9 | C21 | 73.3° | 149.7° |
| C28 | C27 | O9 | H40 | 120.8° | 120.0° |
| C27 | C28 | O14 | N1 | 179.8° | 180.0° |
| C28 | C27 | C29 | H41 | 180.0° | 180.0° |
| C28 | C27 | C29 | H42 | 60.0° | 60.0° |
| C28 | C27 | C29 | H43 | 60.0° | 60.0° |
| C29 | C27 | O9 | C21 | 166.7° | 90.3° |
| C29 | C27 | O9 | H40 | 119.1° | 120.0° |
| C29 | C27 | C28 | O14 | 68.6° | 115.0° |
| C27 | C29 | H41 | H42 | 120.0° | 120.0° |
| C27 | C29 | H41 | H43 | 120.0° | 120.0° |
| C27 | C29 | H42 | H43 | 120.0° | 120.0° |
| C29 | C27 | C28 | N1 | 111.2° | 65.1° |
| O8 | C19 | O11 | H33 | 121.1° | 120.1° |
| O8 | C19 | O11 | C23 | 62.5° | 58.8° |
| O8 | C19 | C20 | N8 | 54.5° | 57.5° |
| O8 | C19 | C20 | H34 | 173.7° | 177.7° |
| O9 | C21 | C22 | O10 | 69.0° | 63.3° |
| O9 | C21 | C20 | N8 | 65.0° | 63.3° |
| O9 | C21 | C20 | H34 | 54.6° | 56.9° |
| C21 | O9 | C27 | H40 | 47.6° | 29.7° |
| O9 | C21 | C22 | H44 | 51.5° | 56.9° |
| O9 | C27 | C28 | O14 | 52.1° | 5.0° |
| C27 | O9 | C21 | H39 | 19.3° | 21.6° |
| O9 | C27 | C29 | H41 | 57.4° | 60.0° |
| O9 | C27 | C29 | H42 | 177.4° | 180.0° |
| O9 | C27 | C29 | H43 | 62.6° | 60.0° |
| O9 | C27 | C28 | N1 | 128.1° | 175.0° |
| O10 | C22 | C23 | O11 | 172.4° | 177.5° |
| O10 | C22 | C21 | H39 | 50.6° | 57.0° |
| O10 | C22 | C23 | H45 | 52.4° | 57.5° |
| C22 | O10 | C30 | C31 | 157.5° | 172.4° |
| C22 | O10 | C30 | O17 | 79.8° | 67.6° |
| C22 | O10 | C30 | H50 | 39.6° | 52.5° |
| O11 | C19 | C20 | N8 | 174.6° | 177.5° |
| O11 | C19 | C20 | H34 | 66.2° | 62.4° |
| C19 | O11 | C23 | H45 | 63.3° | 58.8° |
| O11 | C19 | O8 | H49 | 58.8° | 60.1° |
| O11 | C23 | C24 | O12 | 50.8° | 64.4° |
| C23 | O11 | C19 | H33 | 176.4° | 178.9° |
| O11 | C23 | C22 | H44 | 67.9° | 62.3° |
| O11 | C23 | C24 | H46 | 69.0° | 175.5° |
| O11 | C23 | C24 | H47 | 170.7° | 55.5° |
| O12 | C24 | C23 | H45 | 169.3° | 55.6° |
| O12 | C24 | H46 | H47 | 120.5° | 120.0° |
| O13 | C25 | N8 | C20 | 180.0° | 0.1° |
| O13 | C25 | N8 | H35 | 0.0° | 180.0° |
| O13 | C25 | C26 | H36 | 0.0° | 90.0° |
| O13 | C25 | C26 | H37 | 120.0° | 150.0° |
| O13 | C25 | C26 | H38 | 120.0° | 30.0° |
| O14 | C28 | C27 | H40 | 173.8° | 125.0° |
| C20 | N8 | C25 | H35 | 180.0° | 179.9° |
| N8 | C20 | C19 | H33 | 65.7° | 62.5° |
| N8 | C20 | C21 | H39 | 52.6° | 57.0° |
| C25 | N8 | C20 | H34 | 3.8° | 33.5° |
| N8 | C25 | C26 | H36 | 179.9° | 90.1° |
| N8 | C25 | C26 | H37 | 60.1° | 30.0° |
| N8 | C25 | C26 | H38 | 59.9° | 149.9° |
| H33 | C19 | C20 | H34 | 53.5° | 57.6° |
| H33 | C19 | O8 | H49 | 61.2° | 60.0° |
| H34 | C20 | N8 | H35 | 176.2° | 146.4° |
| H34 | C20 | C21 | H39 | 172.2° | 177.1° |
| H36 | C26 | H37 | H38 | 120.0° | 120.0° |
| H39 | C21 | C22 | H44 | 171.1° | 177.2° |
| H40 | C27 | C29 | H41 | 62.6° | 60.0° |
| H40 | C27 | C29 | H42 | 57.5° | 60.0° |
| H40 | C27 | C29 | H43 | 177.4° | 180.0° |
| H40 | C27 | C28 | N1 | 6.4° | 55.0° |
| H41 | C29 | H42 | H43 | 120.0° | 120.0° |
| H44 | C22 | C23 | H45 | 172.1° | 177.7° |
| H44 | C22 | O10 | C30 | 7.3° | 19.1° |
| H45 | C23 | C24 | H46 | 49.4° | 64.4° |
| H45 | C23 | C24 | H47 | 70.9° | 175.6° |
| H46 | C24 | O12 | H48 | 60.2° | 60.0° |
| H47 | C24 | O12 | H48 | 60.1° | 60.0° |
| C31 | C30 | O17 | H50 | 120.3° | 120.0° |
| C31 | C30 | O17 | O10 | 119.8° | 120.0° |
| C31 | C30 | H50 | O10 | 117.8° | 120.0° |
| C30 | C31 | C32 | N9 | 119.6° | 119.9° |
| C30 | C31 | C32 | H51 | 122.1° | 119.8° |
| C30 | C31 | N9 | H51 | 117.7° | 120.1° |
| C30 | C31 | C32 | C33 | 44.5° | 57.0° |
| C30 | C31 | C32 | O15 | 164.8° | 176.8° |
| C30 | C31 | C32 | H52 | 77.4° | 63.0° |
| C31 | C30 | O17 | C34 | 51.9° | 61.1° |
| C30 | C31 | N9 | C36 | 96.2° | 85.0° |
| C30 | C31 | N9 | H60 | 83.8° | 95.1° |
| O17 | C30 | H50 | O10 | 119.1° | 120.1° |
| O17 | C30 | C31 | C32 | 45.5° | 57.6° |
| O17 | C30 | C31 | N9 | 165.2° | 177.5° |
| O17 | C30 | C31 | H51 | 76.8° | 62.3° |
| C30 | O17 | C34 | C33 | 57.4° | 61.2° |
| C30 | O17 | C34 | C35 | 178.2° | 178.8° |
| C30 | O17 | C34 | H54 | 62.5° | 58.8° |
| H50 | C30 | C31 | C32 | 75.4° | 62.5° |
| H50 | C30 | C31 | N9 | 44.3° | 57.5° |
| H50 | C30 | C31 | H51 | 162.3° | 177.7° |
| H50 | C30 | O17 | C34 | 68.4° | 58.8° |
| C32 | C31 | N9 | H51 | 118.3° | 120.2° |
| C31 | C32 | C33 | O15 | 119.5° | 119.8° |
| C31 | C32 | C33 | H52 | 121.6° | 119.9° |
| C31 | C32 | O15 | H52 | 117.6° | 120.2° |
| C31 | C32 | C33 | C34 | 49.5° | 57.0° |
| C31 | C32 | C33 | O16 | 169.6° | 176.9° |
| C31 | C32 | C33 | H53 | 70.9° | 62.9° |
| C32 | C31 | N9 | C36 | 139.8° | 155.3° |
| C32 | C31 | N9 | H60 | 40.2° | 24.6° |
| C31 | C32 | O15 | H61 | 180.0° | 180.0° |
| C32 | C31 | C30 | O10 | 165.6° | 177.6° |
| N9 | C31 | C32 | C33 | 164.1° | 176.9° |
| N9 | C31 | C32 | O15 | 75.6° | 63.3° |
| N9 | C31 | C32 | H52 | 42.2° | 56.9° |
| C31 | N9 | C36 | C37 | 179.7° | 180.0° |
| C31 | N9 | C36 | H60 | 180.0° | 179.9° |
| C31 | N9 | C36 | O19 | 0.6° | 0.1° |
| N9 | C31 | C30 | O10 | 74.7° | 62.5° |
| H51 | C31 | C32 | C33 | 77.6° | 62.9° |
| H51 | C31 | C32 | O15 | 42.7° | 57.0° |
| H51 | C31 | C32 | H52 | 160.5° | 177.2° |
| H51 | C31 | N9 | C36 | 21.6° | 35.1° |
| H51 | C31 | N9 | H60 | 158.4° | 144.8° |
| H51 | C31 | C30 | O10 | 43.3° | 57.7° |
| C33 | C32 | O15 | H52 | 118.9° | 120.2° |
| C32 | C33 | C34 | O16 | 119.9° | 119.9° |
| C32 | C33 | C34 | H53 | 120.8° | 120.0° |
| C32 | C33 | O16 | H53 | 119.4° | 120.2° |
| C32 | C33 | C34 | C35 | 176.2° | 177.6° |
| C32 | C33 | C34 | O17 | 55.8° | 57.6° |
| C32 | C33 | C34 | H54 | 64.2° | 62.4° |
| C33 | C32 | O15 | H61 | 56.5° | 60.5° |
| C32 | C33 | O16 | H62 | 180.0° | 179.9° |
| O15 | C32 | C33 | C34 | 169.0° | 176.9° |
| O15 | C32 | C33 | O16 | 70.9° | 63.3° |
| O15 | C32 | C33 | H53 | 48.6° | 56.9° |
| H52 | C32 | C33 | C34 | 72.1° | 62.9° |
| H52 | C32 | C33 | O16 | 48.0° | 57.0° |
| H52 | C32 | C33 | H53 | 167.5° | 177.2° |
| H52 | C32 | O15 | H61 | 62.4° | 59.8° |
| C34 | C33 | O16 | H53 | 118.6° | 120.1° |
| C33 | C34 | C35 | O17 | 121.6° | 119.9° |
| C33 | C34 | C35 | H54 | 119.2° | 120.0° |
| C33 | C34 | O17 | H54 | 119.9° | 120.0° |
| C33 | C34 | C35 | O18 | 165.8° | 175.0° |
| C33 | C34 | C35 | H55 | 46.0° | 55.0° |
| C33 | C34 | C35 | H56 | 74.4° | 65.0° |
| C34 | C33 | O16 | H62 | 58.0° | 60.3° |
| O16 | C33 | C34 | C35 | 63.8° | 62.5° |
| O16 | C33 | C34 | O17 | 175.8° | 177.5° |
| O16 | C33 | C34 | H54 | 55.7° | 57.5° |
| H53 | C33 | C34 | C35 | 55.4° | 57.6° |
| H53 | C33 | C34 | O17 | 65.0° | 62.3° |
| H53 | C33 | C34 | H54 | 175.0° | 177.7° |
| H53 | C33 | O16 | H62 | 60.7° | 59.9° |
| C35 | C34 | O17 | H54 | 119.3° | 120.0° |
| C34 | C35 | O18 | H55 | 119.8° | 120.0° |
| C34 | C35 | O18 | H56 | 119.9° | 120.0° |
| C34 | C35 | H55 | H56 | 120.5° | 120.0° |
| C34 | C35 | O18 | H63 | 180.0° | 180.0° |
| O17 | C34 | C35 | O18 | 72.6° | 65.1° |
| O17 | C34 | C35 | H55 | 167.6° | 174.9° |
| O17 | C34 | C35 | H56 | 47.3° | 54.9° |
| C34 | O17 | C30 | O10 | 171.7° | 178.8° |
| H54 | C34 | C35 | O18 | 46.6° | 55.0° |
| H54 | C34 | C35 | H55 | 73.2° | 65.1° |
| H54 | C34 | C35 | H56 | 166.5° | 175.0° |
| O18 | C35 | H55 | H56 | 120.5° | 119.9° |
| H55 | C35 | O18 | H63 | 60.2° | 60.0° |
| H56 | C35 | O18 | H63 | 60.1° | 60.0° |
| C37 | C36 | N9 | O19 | 179.7° | 179.9° |
| C36 | C37 | H57 | H58 | 120.0° | 120.0° |
| C36 | C37 | H57 | H59 | 120.0° | 120.0° |
| C36 | C37 | H58 | H59 | 120.0° | 120.0° |
| C37 | C36 | N9 | H60 | 0.3° | 0.1° |
| N9 | C36 | C37 | H57 | 179.7° | 0.1° |
| N9 | C36 | C37 | H58 | 59.7° | 120.0° |
| N9 | C36 | C37 | H59 | 60.3° | 120.0° |
| O19 | C36 | C37 | H57 | 0.0° | 180.0° |
| O19 | C36 | C37 | H58 | 120.0° | 60.0° |
| O19 | C36 | C37 | H59 | 120.0° | 60.0° |
| O19 | C36 | N9 | H60 | 179.4° | 180.0° |
| H57 | C37 | H58 | H59 | 120.0° | 120.0° |
