PRD_000214
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.49Å | 1.51Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | N1 | sing | 1.54Å | 1.46Å | |
| C2 | C3 | sing | 1.44Å | 1.54Å | |
| C2 | H2 | sing | 1.13Å | 1.10Å | |
| N1 | H3 | sing | 0.99Å | 1.00Å | |
| C3 | C4 | sing | 1.52Å | 1.50Å | |
| C3 | C5 | sing | 1.55Å | 1.53Å | |
| C3 | H4 | sing | 1.15Å | 1.10Å | |
| C4 | O3 | doub | 1.22Å | 1.23Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.49Å | 1.45Å | |
| N2 | H8 | sing | 0.95Å | 1.00Å | |
| C6 | C7 | sing | 1.50Å | 1.51Å | |
| C6 | C8 | sing | 1.51Å | 1.53Å | |
| C6 | H9 | sing | 1.12Å | 1.10Å | |
| C7 | O4 | doub | 1.22Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.37Å | 1.33Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | N4 | sing | 1.33Å | 1.33Å | |
| C11 | N5 | doub | 1.33Å | 1.34Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.33Å | 1.35Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | C26 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | doub | 1.33Å | 1.33Å | |
| C27 | C28 | sing | 1.54Å | 1.51Å | |
| C28 | N6 | sing | 1.40Å | 1.46Å | |
| C28 | C29 | sing | 1.61Å | 1.54Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | C31 | sing | 1.47Å | 1.51Å | |
| C31 | O6 | doub | 1.26Å | 1.22Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.08Å | 1.08Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C27 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | H42 | sing | 1.08Å | 1.10Å | |
| N6 | H43 | sing | 0.98Å | 1.00Å | |
| C29 | H44 | sing | 1.06Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C30 | H47 | sing | 1.09Å | 1.10Å | |
| N7 | C32 | sing | 1.53Å | 1.47Å | |
| N7 | H48 | sing | 0.92Å | 1.00Å | |
| C32 | C33 | sing | 1.41Å | 1.52Å | |
| C32 | C34 | sing | 1.51Å | 1.54Å | |
| C32 | H49 | sing | 1.09Å | 1.10Å | |
| C33 | O7 | doub | 1.21Å | 1.26Å | |
| C33 | O9 | sing | 1.34Å | 1.24Å | |
| C34 | C35 | sing | 1.54Å | 1.52Å | |
| C34 | H50 | sing | 1.10Å | 1.10Å | |
| C34 | H51 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | sing | 1.58Å | 1.52Å | |
| C35 | H52 | sing | 1.04Å | 1.10Å | |
| C35 | H53 | sing | 1.07Å | 1.10Å | |
| C36 | O8 | doub | 1.19Å | 1.23Å | |
| O9 | H54 | sing | 0.97Å | 0.95Å | |
| N8 | C37 | sing | 1.46Å | 1.46Å | |
| N8 | C38 | sing | 1.33Å | 1.36Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C37 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H57 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.54Å | 1.48Å | |
| C38 | C40 | doub | 1.41Å | 1.35Å | |
| C39 | O10 | doub | 1.18Å | 1.23Å | |
| C40 | C41 | sing | 1.51Å | 1.51Å | |
| C40 | H58 | sing | 1.08Å | 1.08Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C41 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C4 | N2 | sing | 1.38Å | 1.33Å | |
| C7 | N6 | sing | 1.41Å | 1.34Å | |
| C31 | N7 | sing | 1.37Å | 1.33Å | |
| C36 | N8 | sing | 1.35Å | 1.34Å | |
| N1 | C39 | sing | 1.34Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 122.2° | 120.0° |
| O1 | C1 | C2 | 118.7° | 120.0° |
| O2 | C1 | C2 | 119.1° | 120.0° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C1 | C2 | N1 | 111.7° | 110.4° |
| C1 | C2 | C3 | 110.4° | 111.9° |
| C1 | C2 | H2 | 108.2° | 104.2° |
| N1 | C2 | C3 | 109.5° | 112.4° |
| N1 | C2 | H2 | 109.0° | 106.9° |
| C2 | N1 | H3 | 118.0° | 116.8° |
| C2 | N1 | C39 | 124.0° | 121.7° |
| C3 | C2 | H2 | 107.9° | 110.7° |
| C2 | C3 | C4 | 110.8° | 113.1° |
| C2 | C3 | C5 | 111.4° | 111.2° |
| C2 | C3 | H4 | 108.3° | 107.6° |
| H3 | N1 | C39 | 118.0° | 121.5° |
| C4 | C3 | C5 | 109.4° | 110.2° |
| C4 | C3 | H4 | 108.6° | 108.0° |
| C3 | C4 | O3 | 119.3° | 120.6° |
| C3 | C4 | N2 | 117.2° | 117.5° |
| C5 | C3 | H4 | 108.3° | 106.3° |
| C3 | C5 | H5 | 109.5° | 109.5° |
| C3 | C5 | H6 | 109.5° | 109.5° |
| C3 | C5 | H7 | 109.4° | 109.5° |
| O3 | C4 | N2 | 123.5° | 121.6° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.4° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| C6 | N2 | H8 | 118.2° | 117.8° |
| N2 | C6 | C7 | 113.7° | 109.2° |
| N2 | C6 | C8 | 110.2° | 112.6° |
| N2 | C6 | H9 | 108.2° | 113.4° |
| C6 | N2 | C4 | 123.6° | 115.4° |
| H8 | N2 | C4 | 118.2° | 126.7° |
| C7 | C6 | C8 | 109.7° | 106.6° |
| C7 | C6 | H9 | 107.5° | 105.0° |
| C6 | C7 | O4 | 116.9° | 117.6° |
| C6 | C7 | N6 | 119.6° | 121.7° |
| C8 | C6 | H9 | 107.3° | 109.6° |
| C6 | C8 | C9 | 109.9° | 109.5° |
| C6 | C8 | H10 | 109.4° | 109.4° |
| C6 | C8 | H11 | 109.4° | 109.4° |
| O4 | C7 | N6 | 123.5° | 120.6° |
| C9 | C8 | H10 | 109.4° | 109.5° |
| C9 | C8 | H11 | 109.4° | 109.5° |
| C8 | C9 | C10 | 111.9° | 109.5° |
| C8 | C9 | H12 | 108.8° | 109.5° |
| C8 | C9 | H13 | 108.8° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| C10 | C9 | H12 | 108.9° | 109.4° |
| C10 | C9 | H13 | 108.9° | 109.4° |
| C9 | C10 | N3 | 110.8° | 109.5° |
| C9 | C10 | H14 | 109.1° | 109.5° |
| C9 | C10 | H15 | 109.2° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| N3 | C10 | H14 | 109.1° | 109.5° |
| N3 | C10 | H15 | 109.1° | 109.4° |
| C10 | N3 | C11 | 122.6° | 120.0° |
| C10 | N3 | H16 | 118.7° | 120.0° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| C11 | N3 | H16 | 118.7° | 120.0° |
| N3 | C11 | N4 | 118.4° | 120.0° |
| N3 | C11 | N5 | 120.4° | 120.0° |
| N4 | C11 | N5 | 121.2° | 120.0° |
| C11 | N4 | H17 | 120.0° | 120.0° |
| C11 | N4 | H18 | 120.0° | 120.0° |
| C11 | N5 | H19 | 120.0° | 120.0° |
| C11 | N5 | H20 | 120.0° | 120.0° |
| H17 | N4 | H18 | 120.0° | 120.0° |
| H19 | N5 | H20 | 120.0° | 120.0° |
| C12 | O5 | C13 | 111.0° | 113.9° |
| O5 | C12 | H21 | 109.5° | 109.5° |
| O5 | C12 | H22 | 109.5° | 109.5° |
| O5 | C12 | H23 | 109.5° | 109.4° |
| O5 | C13 | C14 | 109.8° | 109.4° |
| O5 | C13 | C21 | 107.6° | 109.4° |
| O5 | C13 | H24 | 110.5° | 109.5° |
| C13 | C14 | C15 | 113.1° | 109.5° |
| C14 | C13 | C21 | 110.7° | 109.5° |
| C14 | C13 | H24 | 109.1° | 109.5° |
| C13 | C14 | H25 | 108.6° | 109.5° |
| C13 | C14 | H26 | 108.5° | 109.5° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | C20 | 121.0° | 120.0° |
| C15 | C14 | H25 | 108.5° | 109.5° |
| C15 | C14 | H26 | 108.5° | 109.4° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C16 | C15 | C20 | 118.9° | 120.0° |
| C15 | C16 | H27 | 119.7° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H27 | 119.6° | 120.0° |
| C16 | C17 | H28 | 120.0° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | H28 | 120.0° | 120.0° |
| C17 | C18 | H29 | 120.2° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C19 | C18 | H29 | 120.2° | 120.0° |
| C18 | C19 | H30 | 119.8° | 120.0° |
| C19 | C20 | C15 | 120.5° | 120.0° |
| C20 | C19 | H30 | 119.8° | 120.0° |
| C19 | C20 | H31 | 119.7° | 120.0° |
| C15 | C20 | H31 | 119.8° | 120.0° |
| C13 | C21 | C22 | 110.4° | 109.5° |
| C13 | C21 | C23 | 112.6° | 109.5° |
| C21 | C13 | H24 | 109.2° | 109.5° |
| C13 | C21 | H32 | 108.6° | 109.4° |
| C22 | C21 | C23 | 107.7° | 109.5° |
| C22 | C21 | H32 | 108.5° | 109.4° |
| C21 | C22 | H33 | 109.5° | 109.5° |
| C21 | C22 | H34 | 109.4° | 109.4° |
| C21 | C22 | H35 | 109.5° | 109.5° |
| C21 | C23 | C24 | 123.8° | 120.0° |
| C23 | C21 | H32 | 108.8° | 109.5° |
| C21 | C23 | H36 | 118.1° | 120.0° |
| C23 | C24 | C25 | 123.6° | 120.0° |
| C23 | C24 | C26 | 116.4° | 120.0° |
| C24 | C23 | H36 | 118.1° | 120.0° |
| C25 | C24 | C26 | 120.0° | 120.0° |
| C24 | C25 | H37 | 109.5° | 109.5° |
| C24 | C25 | H38 | 109.5° | 109.5° |
| C24 | C25 | H39 | 109.5° | 109.5° |
| C24 | C26 | C27 | 122.9° | 120.0° |
| C24 | C26 | H40 | 118.6° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C27 | C26 | H40 | 118.5° | 120.0° |
| C26 | C27 | H41 | 119.8° | 120.0° |
| C27 | C28 | N6 | 110.7° | 113.6° |
| C27 | C28 | C29 | 110.6° | 112.2° |
| C28 | C27 | H41 | 119.8° | 120.0° |
| C27 | C28 | H42 | 108.7° | 107.9° |
| N6 | C28 | C29 | 109.1° | 108.3° |
| N6 | C28 | H42 | 109.3° | 110.4° |
| C28 | N6 | H43 | 117.6° | 120.7° |
| C28 | N6 | C7 | 124.7° | 125.0° |
| C28 | C29 | C30 | 112.0° | 107.2° |
| C28 | C29 | C31 | 108.2° | 111.7° |
| C29 | C28 | H42 | 108.3° | 104.0° |
| C28 | C29 | H44 | 108.7° | 102.2° |
| C30 | C29 | C31 | 110.0° | 113.9° |
| C30 | C29 | H44 | 108.7° | 110.5° |
| C29 | C30 | H45 | 109.5° | 109.5° |
| C29 | C30 | H46 | 109.5° | 109.4° |
| C29 | C30 | H47 | 109.5° | 109.5° |
| C29 | C31 | O6 | 118.1° | 122.3° |
| C31 | C29 | H44 | 109.1° | 110.7° |
| C29 | C31 | N7 | 120.3° | 119.7° |
| O6 | C31 | N7 | 121.6° | 117.6° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.4° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H35 | 109.5° | 109.5° |
| H34 | C22 | H35 | 109.4° | 109.5° |
| H37 | C25 | H38 | 109.5° | 109.5° |
| H37 | C25 | H39 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.5° | 109.4° |
| H43 | N6 | C7 | 117.6° | 114.2° |
| H45 | C30 | H46 | 109.4° | 109.5° |
| H45 | C30 | H47 | 109.5° | 109.5° |
| H46 | C30 | H47 | 109.5° | 109.4° |
| C32 | N7 | H48 | 119.5° | 119.2° |
| N7 | C32 | C33 | 113.7° | 109.8° |
| N7 | C32 | C34 | 112.6° | 106.2° |
| N7 | C32 | H49 | 107.5° | 102.1° |
| C32 | N7 | C31 | 120.9° | 119.2° |
| H48 | N7 | C31 | 119.6° | 121.4° |
| C33 | C32 | C34 | 109.2° | 113.7° |
| C33 | C32 | H49 | 106.9° | 112.9° |
| C32 | C33 | O7 | 119.2° | 120.0° |
| C32 | C33 | O9 | 118.8° | 120.0° |
| C34 | C32 | H49 | 106.6° | 111.3° |
| C32 | C34 | C35 | 114.9° | 107.3° |
| C32 | C34 | H50 | 108.1° | 110.6° |
| C32 | C34 | H51 | 108.1° | 116.0° |
| O7 | C33 | O9 | 122.0° | 120.0° |
| C33 | O9 | H54 | 109.5° | 117.0° |
| C35 | C34 | H50 | 108.1° | 103.8° |
| C35 | C34 | H51 | 108.1° | 107.4° |
| C34 | C35 | C36 | 110.3° | 110.1° |
| C34 | C35 | H52 | 109.2° | 113.6° |
| C34 | C35 | H53 | 109.2° | 110.1° |
| H50 | C34 | H51 | 109.5° | 110.9° |
| C36 | C35 | H52 | 109.3° | 107.2° |
| C36 | C35 | H53 | 109.3° | 105.4° |
| C35 | C36 | O8 | 118.1° | 113.4° |
| C35 | C36 | N8 | 120.0° | 118.7° |
| H52 | C35 | H53 | 109.5° | 110.1° |
| O8 | C36 | N8 | 121.8° | 127.8° |
| C37 | N8 | C38 | 119.8° | 121.3° |
| N8 | C37 | H55 | 109.5° | 109.5° |
| N8 | C37 | H56 | 109.5° | 109.5° |
| N8 | C37 | H57 | 109.5° | 109.5° |
| C37 | N8 | C36 | 120.0° | 119.4° |
| N8 | C38 | C39 | 119.7° | 123.9° |
| N8 | C38 | C40 | 118.5° | 119.5° |
| C38 | N8 | C36 | 120.2° | 118.9° |
| H55 | C37 | H56 | 109.5° | 109.5° |
| H55 | C37 | H57 | 109.5° | 109.5° |
| H56 | C37 | H57 | 109.4° | 109.5° |
| C39 | C38 | C40 | 121.8° | 116.2° |
| C38 | C39 | O10 | 122.5° | 120.1° |
| C38 | C39 | N1 | 117.3° | 117.3° |
| C38 | C40 | C41 | 121.7° | 120.0° |
| C38 | C40 | H58 | 119.1° | 120.0° |
| O10 | C39 | N1 | 120.2° | 122.1° |
| C41 | C40 | H58 | 119.1° | 120.0° |
| C40 | C41 | H59 | 109.5° | 109.5° |
| C40 | C41 | H60 | 109.5° | 109.4° |
| C40 | C41 | H61 | 109.5° | 109.5° |
| H59 | C41 | H60 | 109.5° | 109.5° |
| H59 | C41 | H61 | 109.5° | 109.5° |
| H60 | C41 | H61 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.4° | 179.6° |
| O1 | C1 | O2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | N1 | 157.0° | 7.7° |
| O1 | C1 | C2 | C3 | 81.0° | 133.7° |
| O1 | C1 | C2 | H2 | 37.0° | 106.7° |
| O2 | C1 | C2 | N1 | 23.6° | 171.9° |
| O2 | C1 | C2 | C3 | 98.4° | 46.0° |
| O2 | C1 | C2 | H2 | 143.6° | 73.6° |
| C2 | C1 | O2 | H1 | 179.4° | 179.7° |
| C1 | C2 | N1 | C3 | 122.6° | 125.7° |
| C1 | C2 | N1 | H2 | 119.6° | 112.7° |
| C1 | C2 | C3 | H2 | 118.1° | 115.7° |
| C1 | C2 | N1 | H3 | 117.7° | 139.0° |
| C1 | C2 | C3 | C4 | 64.5° | 42.7° |
| C1 | C2 | C3 | C5 | 173.4° | 167.4° |
| C1 | C2 | C3 | H4 | 54.5° | 76.6° |
| C1 | C2 | N1 | C39 | 62.3° | 37.9° |
| N1 | C2 | C3 | H2 | 118.5° | 119.4° |
| C2 | N1 | H3 | C39 | 180.0° | 177.0° |
| N1 | C2 | C3 | C4 | 58.8° | 82.2° |
| N1 | C2 | C3 | C5 | 63.2° | 42.5° |
| N1 | C2 | C3 | H4 | 177.9° | 158.6° |
| C2 | N1 | C39 | C38 | 169.3° | 179.8° |
| C2 | N1 | C39 | O10 | 8.1° | 8.0° |
| C3 | C2 | N1 | H3 | 4.9° | 95.3° |
| C2 | C3 | C4 | C5 | 123.2° | 125.2° |
| C2 | C3 | C4 | H4 | 118.8° | 119.0° |
| C2 | C3 | C5 | H4 | 118.9° | 116.8° |
| C2 | C3 | C4 | O3 | 62.0° | 85.3° |
| C2 | C3 | C5 | H5 | 180.0° | 60.0° |
| C2 | C3 | C5 | H6 | 60.0° | 180.0° |
| C2 | C3 | C5 | H7 | 60.0° | 60.0° |
| C2 | C3 | C4 | N2 | 116.1° | 100.9° |
| C3 | C2 | N1 | C39 | 175.1° | 87.7° |
| H2 | C2 | N1 | H3 | 122.7° | 26.3° |
| H2 | C2 | C3 | C4 | 177.4° | 158.4° |
| H2 | C2 | C3 | C5 | 55.3° | 76.9° |
| H2 | C2 | C3 | H4 | 63.6° | 39.1° |
| H2 | C2 | N1 | C39 | 57.3° | 150.6° |
| H3 | N1 | C39 | C38 | 10.7° | 2.9° |
| H3 | N1 | C39 | O10 | 171.9° | 175.2° |
| C4 | C3 | C5 | H4 | 118.2° | 116.8° |
| C3 | C4 | O3 | N2 | 178.0° | 173.6° |
| C4 | C3 | C5 | H5 | 57.2° | 173.7° |
| C4 | C3 | C5 | H6 | 62.8° | 53.6° |
| C4 | C3 | C5 | H7 | 177.2° | 66.3° |
| C3 | C4 | N2 | C6 | 173.5° | 173.4° |
| C3 | C4 | N2 | H8 | 6.5° | 3.8° |
| C5 | C3 | C4 | O3 | 61.2° | 39.9° |
| C3 | C5 | H5 | H6 | 120.0° | 120.0° |
| C3 | C5 | H5 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C5 | C3 | C4 | N2 | 120.7° | 133.9° |
| H4 | C3 | C4 | O3 | 179.2° | 155.7° |
| H4 | C3 | C5 | H5 | 61.0° | 56.9° |
| H4 | C3 | C5 | H6 | 178.9° | 63.2° |
| H4 | C3 | C5 | H7 | 58.9° | 176.9° |
| H4 | C3 | C4 | N2 | 2.7° | 18.1° |
| O3 | C4 | N2 | C6 | 4.6° | 0.4° |
| O3 | C4 | N2 | H8 | 175.5° | 177.6° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| C6 | N2 | H8 | C4 | 180.0° | 177.2° |
| N2 | C6 | C7 | C8 | 123.9° | 121.8° |
| N2 | C6 | C7 | H9 | 119.7° | 121.9° |
| N2 | C6 | C8 | H9 | 117.6° | 127.2° |
| N2 | C6 | C7 | O4 | 162.1° | 2.3° |
| N2 | C6 | C8 | C9 | 76.6° | 65.0° |
| N2 | C6 | C8 | H10 | 43.5° | 55.1° |
| N2 | C6 | C8 | H11 | 163.3° | 175.0° |
| N2 | C6 | C7 | N6 | 17.2° | 174.0° |
| H8 | N2 | C6 | C7 | 71.4° | 121.8° |
| H8 | N2 | C6 | C8 | 52.2° | 3.6° |
| H8 | N2 | C6 | H9 | 169.3° | 121.5° |
| C7 | C6 | C8 | H9 | 116.5° | 113.2° |
| C6 | C7 | O4 | N6 | 179.3° | 176.4° |
| C7 | C6 | C8 | C9 | 157.5° | 175.4° |
| C7 | C6 | C8 | H10 | 82.4° | 64.6° |
| C7 | C6 | C8 | H11 | 37.4° | 55.3° |
| C6 | C7 | N6 | C28 | 179.3° | 179.9° |
| C6 | C7 | N6 | H43 | 0.7° | 2.8° |
| C7 | C6 | N2 | C4 | 108.6° | 60.8° |
| C8 | C6 | C7 | O4 | 74.0° | 119.5° |
| C6 | C8 | C9 | H10 | 120.1° | 119.9° |
| C6 | C8 | C9 | H11 | 120.1° | 120.0° |
| C6 | C8 | H10 | H11 | 119.8° | 119.9° |
| C6 | C8 | C9 | C10 | 145.1° | 180.0° |
| C6 | C8 | C9 | H12 | 94.5° | 60.1° |
| C6 | C8 | C9 | H13 | 24.7° | 60.0° |
| C8 | C6 | N2 | C4 | 127.8° | 178.9° |
| C8 | C6 | C7 | N6 | 106.7° | 64.1° |
| H9 | C6 | C7 | O4 | 42.3° | 124.2° |
| H9 | C6 | C8 | C9 | 41.0° | 62.2° |
| H9 | C6 | C8 | H10 | 161.1° | 177.8° |
| H9 | C6 | C8 | H11 | 79.0° | 57.8° |
| H9 | C6 | N2 | C4 | 10.7° | 56.0° |
| H9 | C6 | C7 | N6 | 137.0° | 52.1° |
| O4 | C7 | N6 | C28 | 0.1° | 3.8° |
| O4 | C7 | N6 | H43 | 180.0° | 179.0° |
| C9 | C8 | H10 | H11 | 119.8° | 120.1° |
| C8 | C9 | C10 | H12 | 120.3° | 120.0° |
| C8 | C9 | C10 | H13 | 120.3° | 120.0° |
| C8 | C9 | H12 | H13 | 118.8° | 120.1° |
| C8 | C9 | C10 | N3 | 64.0° | 180.0° |
| C8 | C9 | C10 | H14 | 56.2° | 60.0° |
| C8 | C9 | C10 | H15 | 175.8° | 60.0° |
| H10 | C8 | C9 | C10 | 25.0° | 60.1° |
| H10 | C8 | C9 | H12 | 145.4° | 180.0° |
| H10 | C8 | C9 | H13 | 95.3° | 59.9° |
| H11 | C8 | C9 | C10 | 94.8° | 60.0° |
| H11 | C8 | C9 | H12 | 25.6° | 59.9° |
| H11 | C8 | C9 | H13 | 144.8° | 180.0° |
| C10 | C9 | H12 | H13 | 118.9° | 119.9° |
| C9 | C10 | N3 | H14 | 120.2° | 120.0° |
| C9 | C10 | N3 | H15 | 120.2° | 120.0° |
| C9 | C10 | H14 | H15 | 119.4° | 120.0° |
| C9 | C10 | N3 | C11 | 74.1° | 180.0° |
| C9 | C10 | N3 | H16 | 106.0° | 0.0° |
| H12 | C9 | C10 | N3 | 175.6° | 60.0° |
| H12 | C9 | C10 | H14 | 64.2° | 180.0° |
| H12 | C9 | C10 | H15 | 55.4° | 60.0° |
| H13 | C9 | C10 | N3 | 56.3° | 60.0° |
| H13 | C9 | C10 | H14 | 176.5° | 60.0° |
| H13 | C9 | C10 | H15 | 63.9° | 180.0° |
| N3 | C10 | H14 | H15 | 119.4° | 119.9° |
| C10 | N3 | C11 | H16 | 180.0° | 180.0° |
| C10 | N3 | C11 | N4 | 173.2° | 0.0° |
| C10 | N3 | C11 | N5 | 5.3° | 180.0° |
| H14 | C10 | N3 | C11 | 165.8° | 60.0° |
| H14 | C10 | N3 | H16 | 14.2° | 120.0° |
| H15 | C10 | N3 | C11 | 46.1° | 60.0° |
| H15 | C10 | N3 | H16 | 133.8° | 120.0° |
| N3 | C11 | N4 | N5 | 178.5° | 180.0° |
| N3 | C11 | N4 | H17 | 178.5° | 0.0° |
| N3 | C11 | N4 | H18 | 1.5° | 180.0° |
| N3 | C11 | N5 | H19 | 178.4° | 180.0° |
| N3 | C11 | N5 | H20 | 1.5° | 0.1° |
| H16 | N3 | C11 | N4 | 6.8° | 180.0° |
| H16 | N3 | C11 | N5 | 174.7° | 0.1° |
| C11 | N4 | H17 | H18 | 180.0° | 180.0° |
| N4 | C11 | N5 | H19 | 0.0° | 0.1° |
| N4 | C11 | N5 | H20 | 180.0° | 180.0° |
| N5 | C11 | N4 | H17 | 0.0° | 180.0° |
| N5 | C11 | N4 | H18 | 180.0° | 0.0° |
| C11 | N5 | H19 | H20 | 180.0° | 179.9° |
| C12 | O5 | C13 | C14 | 111.2° | 144.9° |
| C12 | O5 | C13 | C21 | 128.3° | 95.1° |
| O5 | C12 | H21 | H22 | 120.0° | 120.0° |
| O5 | C12 | H21 | H23 | 120.0° | 119.9° |
| O5 | C12 | H22 | H23 | 120.0° | 119.9° |
| C12 | O5 | C13 | H24 | 9.2° | 24.9° |
| O5 | C13 | C14 | C21 | 118.6° | 120.0° |
| O5 | C13 | C14 | H24 | 121.2° | 120.0° |
| O5 | C13 | C14 | C15 | 61.9° | 65.0° |
| O5 | C13 | C21 | H24 | 119.9° | 120.0° |
| O5 | C13 | C21 | C22 | 56.7° | 55.5° |
| O5 | C13 | C21 | C23 | 177.2° | 64.6° |
| C13 | O5 | C12 | H21 | 180.0° | 55.5° |
| C13 | O5 | C12 | H22 | 60.0° | 64.6° |
| C13 | O5 | C12 | H23 | 60.0° | 175.5° |
| O5 | C13 | C14 | H25 | 58.6° | 55.0° |
| O5 | C13 | C14 | H26 | 177.5° | 175.0° |
| O5 | C13 | C21 | H32 | 62.2° | 175.4° |
| C13 | C14 | C15 | H25 | 120.6° | 120.0° |
| C13 | C14 | C15 | H26 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 112.7° | 90.0° |
| C13 | C14 | C15 | C20 | 68.8° | 90.3° |
| C14 | C13 | C21 | H24 | 120.1° | 120.0° |
| C14 | C13 | C21 | C22 | 176.7° | 64.5° |
| C14 | C13 | C21 | C23 | 62.8° | 175.5° |
| C13 | C14 | H25 | H26 | 118.3° | 120.0° |
| C14 | C13 | C21 | H32 | 57.8° | 55.5° |
| C14 | C15 | C16 | C20 | 178.6° | 179.7° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C20 | C19 | 179.0° | 179.8° |
| C15 | C14 | C13 | C21 | 179.4° | 175.0° |
| C15 | C14 | C13 | H24 | 59.3° | 54.9° |
| C15 | C14 | H25 | H26 | 118.3° | 120.0° |
| C14 | C15 | C16 | H27 | 0.7° | 0.0° |
| C14 | C15 | C20 | H31 | 1.0° | 0.0° |
| C15 | C16 | C17 | H27 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C16 | C15 | C20 | C19 | 0.4° | 0.5° |
| C16 | C15 | C14 | H25 | 7.9° | 30.0° |
| C16 | C15 | C14 | H26 | 126.8° | 150.0° |
| C15 | C16 | C17 | H28 | 179.0° | 180.0° |
| C16 | C15 | C20 | H31 | 179.6° | 179.7° |
| C16 | C17 | C18 | H28 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C16 | C15 | C20 | 0.7° | 0.3° |
| C16 | C17 | C18 | H29 | 179.1° | 179.9° |
| C17 | C18 | C19 | H29 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.6° | 0.2° |
| C18 | C17 | C16 | H27 | 179.0° | 180.0° |
| C17 | C18 | C19 | H30 | 179.4° | 180.0° |
| C18 | C19 | C20 | H30 | 180.0° | 179.8° |
| C18 | C19 | C20 | C15 | 0.3° | 0.5° |
| C19 | C18 | C17 | H28 | 179.1° | 180.0° |
| C18 | C19 | C20 | H31 | 179.6° | 179.7° |
| C19 | C20 | C15 | H31 | 180.0° | 179.8° |
| C20 | C19 | C18 | H29 | 179.5° | 179.9° |
| C20 | C15 | C14 | H25 | 170.7° | 149.7° |
| C20 | C15 | C14 | H26 | 51.8° | 29.7° |
| C20 | C15 | C16 | H27 | 179.3° | 179.7° |
| C15 | C20 | C19 | H30 | 179.7° | 179.7° |
| C13 | C21 | C22 | C23 | 123.4° | 120.1° |
| C13 | C21 | C22 | H32 | 118.9° | 119.9° |
| C13 | C21 | C23 | H32 | 120.5° | 119.9° |
| C13 | C21 | C23 | C24 | 121.4° | 118.1° |
| C21 | C13 | C14 | H25 | 60.0° | 65.0° |
| C21 | C13 | C14 | H26 | 58.9° | 55.1° |
| C13 | C21 | C22 | H33 | 180.0° | 60.0° |
| C13 | C21 | C22 | H34 | 60.0° | 60.0° |
| C13 | C21 | C22 | H35 | 60.0° | 180.0° |
| C13 | C21 | C23 | H36 | 58.6° | 61.9° |
| C22 | C21 | C23 | H32 | 117.5° | 120.0° |
| C22 | C21 | C23 | C24 | 116.6° | 121.8° |
| C22 | C21 | C13 | H24 | 63.2° | 175.5° |
| C21 | C22 | H33 | H34 | 120.0° | 120.0° |
| C21 | C22 | H33 | H35 | 120.0° | 120.0° |
| C21 | C22 | H34 | H35 | 120.0° | 120.0° |
| C22 | C21 | C23 | H36 | 63.4° | 58.2° |
| C21 | C23 | C24 | H36 | 180.0° | 180.0° |
| C21 | C23 | C24 | C25 | 0.6° | 3.2° |
| C21 | C23 | C24 | C26 | 178.8° | 176.8° |
| C23 | C21 | C13 | H24 | 57.3° | 55.4° |
| C23 | C21 | C22 | H33 | 56.6° | 180.0° |
| C23 | C21 | C22 | H34 | 176.6° | 60.0° |
| C23 | C21 | C22 | H35 | 63.4° | 59.9° |
| C23 | C24 | C25 | C26 | 178.2° | 180.0° |
| C23 | C24 | C26 | C27 | 178.5° | 179.9° |
| C24 | C23 | C21 | H32 | 0.9° | 1.9° |
| C23 | C24 | C25 | H37 | 180.0° | 84.4° |
| C23 | C24 | C25 | H38 | 60.0° | 155.5° |
| C23 | C24 | C25 | H39 | 60.0° | 35.6° |
| C23 | C24 | C26 | H40 | 1.5° | 0.0° |
| C25 | C24 | C26 | C27 | 0.2° | 0.0° |
| C25 | C24 | C23 | H36 | 179.5° | 176.8° |
| C24 | C25 | H37 | H38 | 120.0° | 120.1° |
| C24 | C25 | H37 | H39 | 120.0° | 120.0° |
| C24 | C25 | H38 | H39 | 120.0° | 120.0° |
| C25 | C24 | C26 | H40 | 179.8° | 180.0° |
| C24 | C26 | C27 | H40 | 180.0° | 179.9° |
| C24 | C26 | C27 | C28 | 179.1° | 180.0° |
| C26 | C24 | C23 | H36 | 1.2° | 3.2° |
| C26 | C24 | C25 | H37 | 1.8° | 95.6° |
| C26 | C24 | C25 | H38 | 121.8° | 24.5° |
| C26 | C24 | C25 | H39 | 118.2° | 144.5° |
| C24 | C26 | C27 | H41 | 0.8° | 0.1° |
| C26 | C27 | C28 | H41 | 180.0° | 179.9° |
| C26 | C27 | C28 | N6 | 101.4° | 115.1° |
| C26 | C27 | C28 | C29 | 137.5° | 121.6° |
| C26 | C27 | C28 | H42 | 18.7° | 7.6° |
| C27 | C28 | N6 | C29 | 122.0° | 125.4° |
| C27 | C28 | N6 | H42 | 119.7° | 121.3° |
| C27 | C28 | C29 | H42 | 119.0° | 116.3° |
| C27 | C28 | C29 | C30 | 50.1° | 99.1° |
| C27 | C28 | C29 | C31 | 171.6° | 26.3° |
| C28 | C27 | C26 | H40 | 0.9° | 0.1° |
| C27 | C28 | N6 | H43 | 35.2° | 150.2° |
| C27 | C28 | C29 | H44 | 70.0° | 144.6° |
| C27 | C28 | N6 | C7 | 144.8° | 26.8° |
| N6 | C28 | C29 | H42 | 119.0° | 117.4° |
| N6 | C28 | C29 | C30 | 172.2° | 27.2° |
| N6 | C28 | C29 | C31 | 66.4° | 152.6° |
| N6 | C28 | C27 | H41 | 78.6° | 65.0° |
| C28 | N6 | H43 | C7 | 180.0° | 177.3° |
| N6 | C28 | C29 | H44 | 52.0° | 89.1° |
| C28 | C29 | C30 | C31 | 120.4° | 124.0° |
| C28 | C29 | C30 | H44 | 120.1° | 110.6° |
| C28 | C29 | C31 | H44 | 118.1° | 113.1° |
| C28 | C29 | C31 | O6 | 78.1° | 42.0° |
| C29 | C28 | C27 | H41 | 42.5° | 58.3° |
| C29 | C28 | N6 | H43 | 86.8° | 84.4° |
| C28 | C29 | C30 | H45 | 180.0° | 60.0° |
| C28 | C29 | C30 | H46 | 60.0° | 180.0° |
| C28 | C29 | C30 | H47 | 60.0° | 60.1° |
| C29 | C28 | N6 | C7 | 93.3° | 98.7° |
| C28 | C29 | C31 | N7 | 100.5° | 145.0° |
| C30 | C29 | C31 | H44 | 119.2° | 125.3° |
| C30 | C29 | C31 | O6 | 44.5° | 163.6° |
| C30 | C29 | C28 | H42 | 68.9° | 144.6° |
| C29 | C30 | H45 | H46 | 120.0° | 120.0° |
| C29 | C30 | H45 | H47 | 120.0° | 120.0° |
| C29 | C30 | H46 | H47 | 120.0° | 119.9° |
| C30 | C29 | C31 | N7 | 136.9° | 23.4° |
| C29 | C31 | O6 | N7 | 178.6° | 173.1° |
| C31 | C29 | C28 | H42 | 52.6° | 90.0° |
| C31 | C29 | C30 | H45 | 59.5° | 176.0° |
| C31 | C29 | C30 | H46 | 60.4° | 55.9° |
| C31 | C29 | C30 | H47 | 179.6° | 64.0° |
| C29 | C31 | N7 | C32 | 179.4° | 161.0° |
| C29 | C31 | N7 | H48 | 0.6° | 24.1° |
| O6 | C31 | C29 | H44 | 163.8° | 71.1° |
| O6 | C31 | N7 | C32 | 2.0° | 25.7° |
| O6 | C31 | N7 | H48 | 177.9° | 149.2° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| H24 | C13 | C14 | H25 | 179.9° | 175.0° |
| H24 | C13 | C14 | H26 | 61.2° | 65.0° |
| H24 | C13 | C21 | H32 | 177.9° | 64.6° |
| H27 | C16 | C17 | H28 | 1.0° | 0.0° |
| H28 | C17 | C18 | H29 | 0.9° | 0.1° |
| H29 | C18 | C19 | H30 | 0.5° | 0.1° |
| H30 | C19 | C20 | H31 | 0.3° | 0.1° |
| H32 | C21 | C22 | H33 | 61.1° | 60.0° |
| H32 | C21 | C22 | H34 | 58.9° | 179.9° |
| H32 | C21 | C22 | H35 | 178.9° | 60.1° |
| H32 | C21 | C23 | H36 | 179.1° | 178.2° |
| H33 | C22 | H34 | H35 | 120.0° | 120.0° |
| H37 | C25 | H38 | H39 | 120.0° | 119.9° |
| H40 | C26 | C27 | H41 | 179.2° | 180.0° |
| H41 | C27 | C28 | H42 | 161.3° | 172.3° |
| H42 | C28 | N6 | H43 | 154.9° | 28.9° |
| H42 | C28 | C29 | H44 | 171.0° | 28.3° |
| H42 | C28 | N6 | C7 | 25.1° | 148.1° |
| H44 | C29 | C30 | H45 | 59.9° | 50.6° |
| H44 | C29 | C30 | H46 | 179.9° | 69.4° |
| H44 | C29 | C30 | H47 | 60.1° | 170.7° |
| H44 | C29 | C31 | N7 | 17.6° | 101.9° |
| H45 | C30 | H46 | H47 | 120.0° | 120.1° |
| C32 | N7 | H48 | C31 | 180.0° | 174.9° |
| N7 | C32 | C33 | C34 | 126.7° | 118.8° |
| N7 | C32 | C33 | H49 | 118.4° | 113.1° |
| N7 | C32 | C34 | H49 | 117.6° | 110.3° |
| N7 | C32 | C33 | O7 | 142.6° | 20.1° |
| N7 | C32 | C33 | O9 | 37.5° | 160.0° |
| N7 | C32 | C34 | C35 | 64.8° | 111.6° |
| N7 | C32 | C34 | H50 | 56.0° | 135.9° |
| N7 | C32 | C34 | H51 | 174.4° | 8.5° |
| H48 | N7 | C32 | C33 | 105.3° | 106.7° |
| H48 | N7 | C32 | C34 | 19.6° | 130.0° |
| H48 | N7 | C32 | H49 | 136.6° | 13.3° |
| C33 | C32 | C34 | H49 | 115.1° | 128.9° |
| C32 | C33 | O7 | O9 | 180.0° | 179.9° |
| C33 | C32 | C34 | C35 | 62.5° | 127.6° |
| C33 | C32 | C34 | H50 | 176.6° | 15.0° |
| C33 | C32 | C34 | H51 | 58.3° | 112.4° |
| C32 | C33 | O9 | H54 | 180.0° | 180.0° |
| C33 | C32 | N7 | C31 | 74.7° | 68.4° |
| C34 | C32 | C33 | O7 | 90.7° | 98.7° |
| C34 | C32 | C33 | O9 | 89.2° | 81.2° |
| C32 | C34 | C35 | H50 | 120.8° | 117.2° |
| C32 | C34 | C35 | H51 | 120.8° | 125.4° |
| C32 | C34 | H50 | H51 | 117.5° | 130.2° |
| C32 | C34 | C35 | C36 | 177.2° | 90.9° |
| C32 | C34 | C35 | H52 | 62.7° | 29.3° |
| C32 | C34 | C35 | H53 | 57.0° | 153.3° |
| C34 | C32 | N7 | C31 | 160.4° | 55.0° |
| H49 | C32 | C33 | O7 | 24.2° | 133.2° |
| H49 | C32 | C33 | O9 | 155.8° | 46.9° |
| H49 | C32 | C34 | C35 | 177.6° | 1.3° |
| H49 | C32 | C34 | H50 | 61.5° | 113.9° |
| H49 | C32 | C34 | H51 | 56.8° | 118.7° |
| H49 | C32 | N7 | C31 | 43.3° | 171.7° |
| O7 | C33 | O9 | H54 | 0.0° | 0.0° |
| C35 | C34 | H50 | H51 | 117.5° | 115.0° |
| C34 | C35 | C36 | H52 | 120.1° | 124.0° |
| C34 | C35 | C36 | H53 | 120.1° | 118.7° |
| C34 | C35 | H52 | H53 | 119.6° | 124.0° |
| C34 | C35 | C36 | O8 | 17.6° | 4.9° |
| C34 | C35 | C36 | N8 | 163.0° | 173.5° |
| H50 | C34 | C35 | C36 | 56.3° | 151.9° |
| H50 | C34 | C35 | H52 | 176.5° | 87.8° |
| H50 | C34 | C35 | H53 | 63.8° | 36.2° |
| H51 | C34 | C35 | C36 | 62.0° | 34.5° |
| H51 | C34 | C35 | H52 | 58.1° | 154.7° |
| H51 | C34 | C35 | H53 | 177.8° | 81.3° |
| C36 | C35 | H52 | H53 | 119.6° | 114.2° |
| C35 | C36 | O8 | N8 | 179.4° | 178.2° |
| C35 | C36 | N8 | C37 | 179.2° | 20.3° |
| C35 | C36 | N8 | C38 | 1.0° | 166.5° |
| H52 | C35 | C36 | O8 | 102.6° | 119.2° |
| H52 | C35 | C36 | N8 | 76.9° | 62.5° |
| H53 | C35 | C36 | O8 | 137.7° | 123.6° |
| H53 | C35 | C36 | N8 | 42.9° | 54.8° |
| O8 | C36 | N8 | C37 | 1.4° | 161.6° |
| O8 | C36 | N8 | C38 | 178.4° | 11.6° |
| C37 | N8 | C38 | C36 | 179.8° | 173.0° |
| N8 | C37 | H55 | H56 | 120.0° | 120.0° |
| N8 | C37 | H55 | H57 | 120.0° | 120.0° |
| N8 | C37 | H56 | H57 | 120.0° | 120.0° |
| C37 | N8 | C38 | C39 | 94.7° | 151.3° |
| C37 | N8 | C38 | C40 | 85.4° | 21.2° |
| C38 | N8 | C37 | H55 | 180.0° | 163.3° |
| C38 | N8 | C37 | H56 | 60.0° | 43.4° |
| C38 | N8 | C37 | H57 | 60.0° | 76.6° |
| N8 | C38 | C39 | C40 | 179.9° | 172.7° |
| N8 | C38 | C39 | O10 | 177.5° | 25.3° |
| N8 | C38 | C40 | C41 | 0.5° | 6.9° |
| N8 | C38 | C40 | H58 | 179.5° | 173.1° |
| N8 | C38 | C39 | N1 | 5.2° | 162.3° |
| H55 | C37 | H56 | H57 | 120.0° | 120.0° |
| H55 | C37 | N8 | C36 | 0.2° | 23.7° |
| H56 | C37 | N8 | C36 | 119.8° | 143.6° |
| H57 | C37 | N8 | C36 | 120.2° | 96.4° |
| C38 | C39 | O10 | N1 | 177.2° | 172.0° |
| C39 | C38 | C40 | C41 | 179.7° | 179.9° |
| C39 | C38 | C40 | H58 | 0.4° | 0.1° |
| C39 | C38 | N8 | C36 | 85.5° | 35.7° |
| C40 | C38 | C39 | O10 | 2.6° | 161.9° |
| C38 | C40 | C41 | H58 | 180.0° | 180.0° |
| C38 | C40 | C41 | H59 | 180.0° | 177.6° |
| C38 | C40 | C41 | H60 | 60.0° | 57.7° |
| C38 | C40 | C41 | H61 | 60.0° | 62.4° |
| C40 | C38 | N8 | C36 | 94.4° | 151.9° |
| C40 | C38 | C39 | N1 | 174.7° | 10.5° |
| C40 | C41 | H59 | H60 | 120.0° | 119.9° |
| C40 | C41 | H59 | H61 | 120.0° | 120.0° |
| C40 | C41 | H60 | H61 | 120.0° | 120.0° |
| H58 | C40 | C41 | H59 | 0.0° | 2.4° |
| H58 | C40 | C41 | H60 | 120.0° | 122.3° |
| H58 | C40 | C41 | H61 | 120.0° | 117.7° |
| H59 | C41 | H60 | H61 | 120.0° | 120.1° |
