PRD_002525
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | C4 | sing | 1.51Å | 1.53Å | |
| C9 | N1 | sing | 1.48Å | 1.48Å | |
| N1 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | O3 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C10 | sing | 1.48Å | 1.46Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | N3 | sing | 1.46Å | 1.47Å | |
| CL1 | C24 | sing | 1.74Å | 1.72Å | |
| N3 | C17 | sing | 1.48Å | 1.48Å | |
| C22 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| O5 | C16 | doub | 1.21Å | 1.23Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.08Å | 1.08Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | C26 | sing | 1.48Å | 1.46Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | doub | 1.21Å | 1.23Å | |
| C28 | O7 | sing | 1.43Å | 1.42Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| O7 | H39 | sing | 0.97Å | 0.95Å | |
| C38 | N5 | sing | 1.46Å | 1.47Å | |
| CL2 | C37 | sing | 1.74Å | 1.72Å | |
| N5 | C30 | sing | 1.48Å | 1.49Å | |
| C35 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| O8 | C29 | doub | 1.21Å | 1.23Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.08Å | 1.08Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C35 | H45 | sing | 1.08Å | 1.08Å | |
| C36 | H46 | sing | 1.08Å | 1.08Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| N6 | C39 | sing | 1.48Å | 1.46Å | |
| N6 | H50 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.54Å | |
| C39 | C41 | sing | 1.53Å | 1.55Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.21Å | 1.23Å | |
| C41 | N7 | sing | 1.48Å | 1.46Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å | |
| N7 | H54 | sing | 0.97Å | 1.00Å | |
| N8 | C42 | sing | 1.46Å | 1.46Å | |
| N8 | H55 | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | H56 | sing | 1.09Å | 1.10Å | |
| C42 | H57 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.22Å | |
| N9 | H58 | sing | 0.97Å | 1.00Å | |
| N9 | H59 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C6 | N2 | sing | 1.37Å | 1.34Å | |
| C4 | N7 | sing | 1.36Å | 1.34Å | |
| C11 | N3 | sing | 1.36Å | 1.36Å | |
| C16 | N4 | sing | 1.37Å | 1.34Å | |
| C27 | N5 | sing | 1.36Å | 1.36Å | |
| C29 | N6 | sing | 1.36Å | 1.34Å | |
| C40 | N8 | sing | 1.35Å | 1.34Å | |
| C43 | N9 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 116.5° | 120.0° |
| C1 | C2 | C3 | 112.4° | 109.5° |
| C1 | C2 | H1 | 108.7° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.4° |
| C2 | C1 | N1 | 122.1° | 120.0° |
| O1 | C1 | N1 | 121.4° | 120.0° |
| C3 | C2 | H1 | 108.8° | 109.5° |
| C3 | C2 | H2 | 108.7° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.4° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C9 | C8 | C4 | 111.5° | 109.5° |
| C8 | C9 | N1 | 113.9° | 108.8° |
| C9 | C8 | H10 | 109.0° | 109.5° |
| C9 | C8 | H11 | 109.0° | 109.5° |
| C8 | C9 | H12 | 108.3° | 109.6° |
| C8 | C9 | H13 | 108.3° | 109.6° |
| C8 | C4 | O3 | 119.8° | 120.4° |
| C4 | C8 | H10 | 109.0° | 109.5° |
| C4 | C8 | H11 | 108.9° | 109.5° |
| C8 | C4 | N7 | 117.7° | 119.1° |
| C9 | N1 | C5 | 115.8° | 116.7° |
| N1 | C9 | H12 | 108.3° | 109.6° |
| N1 | C9 | H13 | 108.4° | 109.6° |
| C9 | N1 | C1 | 117.6° | 121.6° |
| N1 | C5 | C6 | 114.1° | 108.8° |
| N1 | C5 | C7 | 115.9° | 109.6° |
| N1 | C5 | H6 | 103.4° | 109.6° |
| C5 | N1 | C1 | 126.6° | 121.7° |
| O3 | C4 | N7 | 122.5° | 120.4° |
| C6 | C5 | C7 | 115.1° | 109.6° |
| C5 | C6 | O2 | 120.9° | 120.6° |
| C6 | C5 | H6 | 103.0° | 109.6° |
| C5 | C6 | N2 | 115.9° | 118.7° |
| C7 | C5 | H6 | 102.8° | 109.7° |
| C5 | C7 | H7 | 109.5° | 109.4° |
| C5 | C7 | H8 | 109.5° | 109.4° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| O2 | C6 | N2 | 123.2° | 120.6° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.7° |
| C10 | N2 | H14 | 117.0° | 122.4° |
| N2 | C10 | C11 | 109.9° | 108.6° |
| N2 | C10 | C12 | 110.6° | 109.6° |
| N2 | C10 | H15 | 106.8° | 109.6° |
| C10 | N2 | C6 | 126.1° | 115.3° |
| H14 | N2 | C6 | 116.9° | 122.3° |
| C11 | C10 | C12 | 117.2° | 109.6° |
| C11 | C10 | H15 | 105.9° | 109.7° |
| C10 | C11 | O4 | 117.7° | 120.4° |
| C10 | C11 | N3 | 121.3° | 119.1° |
| C12 | C10 | H15 | 105.8° | 109.7° |
| C10 | C12 | C13 | 116.0° | 109.5° |
| C10 | C12 | H16 | 107.8° | 109.5° |
| C10 | C12 | H17 | 107.8° | 109.5° |
| O4 | C11 | N3 | 121.0° | 120.5° |
| C13 | C12 | H16 | 107.8° | 109.5° |
| C13 | C12 | H17 | 107.8° | 109.5° |
| C12 | C13 | C14 | 112.4° | 109.5° |
| C12 | C13 | H18 | 108.7° | 109.5° |
| C12 | C13 | H19 | 108.7° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.5° |
| C14 | C13 | H18 | 108.7° | 109.5° |
| C14 | C13 | H19 | 108.7° | 109.5° |
| C13 | C14 | C15 | 112.4° | 109.5° |
| C13 | C14 | H20 | 108.7° | 109.4° |
| C13 | C14 | H21 | 108.7° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| C15 | C14 | H20 | 108.7° | 109.4° |
| C15 | C14 | H21 | 108.7° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.4° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H22 | C15 | H24 | 109.5° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| C25 | N3 | C17 | 116.7° | 121.8° |
| N3 | C25 | H32 | 109.5° | 109.5° |
| N3 | C25 | H33 | 109.5° | 109.5° |
| N3 | C25 | H34 | 109.5° | 109.5° |
| C25 | N3 | C11 | 117.9° | 121.7° |
| CL1 | C24 | C22 | 120.0° | 120.0° |
| CL1 | C24 | C23 | 120.1° | 120.0° |
| N3 | C17 | C18 | 111.8° | 109.6° |
| N3 | C17 | C16 | 113.6° | 108.8° |
| N3 | C17 | H25 | 105.4° | 109.6° |
| C17 | N3 | C11 | 125.4° | 116.5° |
| C24 | C22 | C20 | 120.1° | 120.0° |
| C22 | C24 | C23 | 119.9° | 119.9° |
| C24 | C22 | H30 | 119.9° | 120.0° |
| C22 | C20 | C19 | 120.1° | 120.0° |
| C22 | C20 | H28 | 119.9° | 120.0° |
| C20 | C22 | H30 | 120.0° | 120.0° |
| C24 | C23 | C21 | 120.1° | 120.0° |
| C24 | C23 | H31 | 120.0° | 120.0° |
| C20 | C19 | C21 | 119.6° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C19 | C20 | H28 | 119.9° | 119.9° |
| C23 | C21 | C19 | 120.1° | 120.0° |
| C23 | C21 | H29 | 119.9° | 120.0° |
| C21 | C23 | H31 | 120.0° | 120.0° |
| C21 | C19 | C18 | 120.1° | 120.0° |
| C19 | C21 | H29 | 119.9° | 120.0° |
| C19 | C18 | C17 | 114.7° | 109.4° |
| C19 | C18 | H26 | 108.1° | 109.5° |
| C19 | C18 | H27 | 108.1° | 109.5° |
| C18 | C17 | C16 | 115.1° | 109.6° |
| C18 | C17 | H25 | 104.8° | 109.6° |
| C17 | C18 | H26 | 108.1° | 109.5° |
| C17 | C18 | H27 | 108.1° | 109.5° |
| C17 | C16 | O5 | 120.7° | 120.6° |
| C16 | C17 | H25 | 104.8° | 109.6° |
| C17 | C16 | N4 | 117.3° | 118.8° |
| O5 | C16 | N4 | 122.1° | 120.6° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.4° |
| C26 | N4 | H35 | 116.8° | 122.4° |
| N4 | C26 | C27 | 111.8° | 108.6° |
| N4 | C26 | C28 | 105.8° | 109.7° |
| N4 | C26 | H36 | 110.3° | 109.6° |
| C26 | N4 | C16 | 126.3° | 115.3° |
| H35 | N4 | C16 | 116.9° | 122.3° |
| C27 | C26 | C28 | 110.7° | 109.6° |
| C27 | C26 | H36 | 109.1° | 109.6° |
| C26 | C27 | O6 | 117.5° | 120.4° |
| C26 | C27 | N5 | 120.2° | 119.1° |
| C28 | C26 | H36 | 109.1° | 109.7° |
| C26 | C28 | O7 | 111.2° | 109.5° |
| C26 | C28 | H37 | 109.0° | 109.4° |
| C26 | C28 | H38 | 109.0° | 109.6° |
| O6 | C27 | N5 | 122.2° | 120.5° |
| O7 | C28 | H37 | 109.0° | 109.4° |
| O7 | C28 | H38 | 109.0° | 109.5° |
| C28 | O7 | H39 | 109.5° | 114.0° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| C38 | N5 | C30 | 116.1° | 121.8° |
| N5 | C38 | H47 | 109.5° | 109.5° |
| N5 | C38 | H48 | 109.4° | 109.5° |
| N5 | C38 | H49 | 109.5° | 109.5° |
| C38 | N5 | C27 | 121.6° | 121.8° |
| CL2 | C37 | C35 | 120.0° | 120.0° |
| CL2 | C37 | C36 | 120.0° | 120.0° |
| N5 | C30 | C31 | 114.4° | 109.6° |
| N5 | C30 | C29 | 113.4° | 108.8° |
| N5 | C30 | H40 | 104.9° | 109.6° |
| C30 | N5 | C27 | 122.4° | 116.5° |
| C37 | C35 | C33 | 120.1° | 119.9° |
| C35 | C37 | C36 | 119.9° | 120.0° |
| C37 | C35 | H45 | 120.0° | 120.0° |
| C35 | C33 | C32 | 120.1° | 120.1° |
| C35 | C33 | H43 | 119.9° | 120.0° |
| C33 | C35 | H45 | 119.9° | 120.0° |
| C37 | C36 | C34 | 120.1° | 120.0° |
| C37 | C36 | H46 | 120.0° | 120.0° |
| C33 | C32 | C34 | 119.6° | 120.0° |
| C33 | C32 | C31 | 120.4° | 120.0° |
| C32 | C33 | H43 | 119.9° | 120.0° |
| C36 | C34 | C32 | 120.2° | 120.0° |
| C36 | C34 | H44 | 119.9° | 120.0° |
| C34 | C36 | H46 | 120.0° | 120.0° |
| C34 | C32 | C31 | 120.0° | 120.0° |
| C32 | C34 | H44 | 119.9° | 120.0° |
| C32 | C31 | C30 | 114.6° | 109.4° |
| C32 | C31 | H41 | 108.2° | 109.5° |
| C32 | C31 | H42 | 108.2° | 109.4° |
| C31 | C30 | C29 | 114.1° | 109.6° |
| C31 | C30 | H40 | 104.2° | 109.6° |
| C30 | C31 | H41 | 108.2° | 109.5° |
| C30 | C31 | H42 | 108.2° | 109.5° |
| C30 | C29 | O8 | 120.4° | 121.2° |
| C29 | C30 | H40 | 104.4° | 109.7° |
| C30 | C29 | N6 | 117.6° | 118.2° |
| O8 | C29 | N6 | 122.0° | 120.6° |
| H41 | C31 | H42 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H49 | 109.5° | 109.5° |
| H48 | C38 | H49 | 109.5° | 109.4° |
| C39 | N6 | H50 | 116.8° | 122.9° |
| N6 | C39 | C40 | 110.2° | 109.6° |
| N6 | C39 | C41 | 107.3° | 108.6° |
| N6 | C39 | H51 | 110.0° | 109.6° |
| C39 | N6 | C29 | 126.4° | 114.8° |
| H50 | N6 | C29 | 116.8° | 122.4° |
| C40 | C39 | C41 | 111.6° | 109.7° |
| C40 | C39 | H51 | 109.0° | 109.8° |
| C39 | C40 | O9 | 120.0° | 120.0° |
| C39 | C40 | N8 | 116.8° | 120.0° |
| C41 | C39 | H51 | 108.8° | 109.6° |
| C39 | C41 | N7 | 114.7° | 108.8° |
| C39 | C41 | H52 | 108.2° | 109.6° |
| C39 | C41 | H53 | 108.2° | 109.6° |
| O9 | C40 | N8 | 123.2° | 120.0° |
| N7 | C41 | H52 | 108.1° | 109.6° |
| N7 | C41 | H53 | 108.1° | 109.5° |
| C41 | N7 | H54 | 118.4° | 121.8° |
| C41 | N7 | C4 | 123.3° | 116.6° |
| H52 | C41 | H53 | 109.5° | 109.7° |
| H54 | N7 | C4 | 118.3° | 121.7° |
| C42 | N8 | H55 | 117.6° | 120.0° |
| N8 | C42 | C43 | 112.8° | 109.5° |
| N8 | C42 | H56 | 108.6° | 109.5° |
| N8 | C42 | H57 | 108.7° | 109.5° |
| C42 | N8 | C40 | 124.9° | 120.0° |
| H55 | N8 | C40 | 117.6° | 120.0° |
| C43 | C42 | H56 | 108.6° | 109.4° |
| C43 | C42 | H57 | 108.6° | 109.4° |
| C42 | C43 | O10 | 120.1° | 120.0° |
| C42 | C43 | N9 | 119.4° | 120.0° |
| H56 | C42 | H57 | 109.5° | 109.5° |
| O10 | C43 | N9 | 120.5° | 120.0° |
| H58 | N9 | H59 | 120.0° | 119.9° |
| H58 | N9 | C43 | 120.0° | 120.0° |
| H59 | N9 | C43 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N1 | 179.9° | 179.7° |
| C1 | C2 | C3 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C2 | H1 | H2 | 118.7° | 119.9° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H4 | 60.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C2 | C1 | N1 | C9 | 0.1° | 2.6° |
| C2 | C1 | N1 | C5 | 180.0° | 177.4° |
| O1 | C1 | C2 | C3 | 85.0° | 7.0° |
| O1 | C1 | C2 | H1 | 35.4° | 113.0° |
| O1 | C1 | C2 | H2 | 154.5° | 127.1° |
| O1 | C1 | N1 | C9 | 180.0° | 177.7° |
| O1 | C1 | N1 | C5 | 0.1° | 2.2° |
| C3 | C2 | H1 | H2 | 118.7° | 120.0° |
| C2 | C3 | H3 | H4 | 120.0° | 120.0° |
| C2 | C3 | H3 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.1° |
| C3 | C2 | C1 | N1 | 94.9° | 172.7° |
| H1 | C2 | C3 | H3 | 59.6° | 179.9° |
| H1 | C2 | C3 | H4 | 179.6° | 60.1° |
| H1 | C2 | C3 | H5 | 60.4° | 60.0° |
| H1 | C2 | C1 | N1 | 144.6° | 67.3° |
| H2 | C2 | C3 | H3 | 59.6° | 60.0° |
| H2 | C2 | C3 | H4 | 60.4° | 180.0° |
| H2 | C2 | C3 | H5 | 179.6° | 60.0° |
| H2 | C2 | C1 | N1 | 25.5° | 52.6° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| C9 | C8 | C4 | H10 | 120.3° | 120.0° |
| C9 | C8 | C4 | H11 | 120.3° | 120.0° |
| C8 | C9 | N1 | H12 | 120.7° | 119.8° |
| C8 | C9 | N1 | H13 | 120.7° | 119.8° |
| C8 | C9 | N1 | C5 | 74.9° | 139.2° |
| C9 | C8 | C4 | O3 | 52.1° | 27.2° |
| C9 | C8 | H10 | H11 | 119.1° | 120.0° |
| C8 | C9 | H12 | H13 | 117.9° | 120.3° |
| C8 | C9 | N1 | C1 | 105.2° | 40.8° |
| C9 | C8 | C4 | N7 | 128.0° | 152.5° |
| C4 | C8 | C9 | N1 | 93.7° | 143.8° |
| C8 | C4 | O3 | N7 | 180.0° | 179.7° |
| C4 | C8 | H10 | H11 | 119.1° | 120.0° |
| C4 | C8 | C9 | H12 | 27.0° | 24.0° |
| C4 | C8 | C9 | H13 | 145.6° | 96.4° |
| C8 | C4 | N7 | C41 | 180.0° | 179.8° |
| C8 | C4 | N7 | H54 | 0.0° | 0.3° |
| C9 | N1 | C5 | C1 | 179.9° | 179.9° |
| C9 | N1 | C5 | C6 | 143.2° | 131.7° |
| C9 | N1 | C5 | C7 | 79.5° | 11.9° |
| C9 | N1 | C5 | H6 | 32.2° | 108.5° |
| N1 | C9 | C8 | H10 | 26.6° | 23.8° |
| N1 | C9 | C8 | H11 | 146.0° | 96.2° |
| N1 | C9 | H12 | H13 | 118.0° | 120.4° |
| N1 | C5 | C6 | C7 | 137.6° | 119.8° |
| N1 | C5 | C6 | H6 | 111.3° | 119.8° |
| N1 | C5 | C7 | H6 | 112.0° | 120.3° |
| N1 | C5 | C6 | O2 | 123.4° | 12.4° |
| N1 | C5 | C7 | H7 | 180.0° | 177.4° |
| N1 | C5 | C7 | H8 | 60.0° | 57.4° |
| N1 | C5 | C7 | H9 | 60.0° | 62.6° |
| C5 | N1 | C9 | H12 | 45.8° | 19.4° |
| C5 | N1 | C9 | H13 | 164.5° | 101.0° |
| N1 | C5 | C6 | N2 | 56.7° | 167.6° |
| O3 | C4 | C8 | H10 | 172.4° | 147.2° |
| O3 | C4 | C8 | H11 | 68.2° | 92.8° |
| O3 | C4 | N7 | C41 | 0.1° | 0.1° |
| O3 | C4 | N7 | H54 | 179.9° | 180.0° |
| C6 | C5 | C7 | H6 | 111.2° | 120.3° |
| C5 | C6 | O2 | N2 | 179.9° | 180.0° |
| C6 | C5 | C7 | H7 | 43.2° | 63.3° |
| C6 | C5 | C7 | H8 | 163.2° | 176.8° |
| C6 | C5 | C7 | H9 | 76.9° | 56.7° |
| C5 | C6 | N2 | C10 | 180.0° | 180.0° |
| C5 | C6 | N2 | H14 | 0.0° | 0.1° |
| C6 | C5 | N1 | C1 | 36.9° | 48.2° |
| C7 | C5 | C6 | O2 | 14.2° | 132.2° |
| C5 | C7 | H7 | H8 | 120.0° | 119.9° |
| C5 | C7 | H7 | H9 | 120.0° | 120.0° |
| C5 | C7 | H8 | H9 | 120.0° | 120.0° |
| C7 | C5 | N1 | C1 | 100.4° | 168.0° |
| C7 | C5 | C6 | N2 | 165.7° | 47.8° |
| O2 | C6 | C5 | H6 | 125.3° | 107.4° |
| O2 | C6 | N2 | C10 | 0.0° | 0.0° |
| O2 | C6 | N2 | H14 | 180.0° | 180.0° |
| H6 | C5 | C7 | H7 | 68.0° | 57.1° |
| H6 | C5 | C7 | H8 | 52.0° | 62.9° |
| H6 | C5 | C7 | H9 | 172.0° | 177.0° |
| H6 | C5 | N1 | C1 | 147.9° | 71.6° |
| H6 | C5 | C6 | N2 | 54.6° | 72.6° |
| H7 | C7 | H8 | H9 | 120.0° | 120.1° |
| H10 | C8 | C9 | H12 | 147.3° | 96.0° |
| H10 | C8 | C9 | H13 | 94.1° | 143.6° |
| H10 | C8 | C4 | N7 | 7.7° | 32.5° |
| H11 | C8 | C9 | H12 | 93.3° | 144.0° |
| H11 | C8 | C9 | H13 | 25.4° | 23.6° |
| H11 | C8 | C4 | N7 | 111.8° | 87.5° |
| H12 | C9 | N1 | C1 | 134.1° | 160.5° |
| H13 | C9 | N1 | C1 | 15.5° | 79.0° |
| C10 | N2 | H14 | C6 | 180.0° | 179.9° |
| N2 | C10 | C11 | C12 | 127.4° | 119.7° |
| N2 | C10 | C11 | H15 | 115.0° | 119.7° |
| N2 | C10 | C12 | H15 | 115.3° | 120.4° |
| N2 | C10 | C11 | O4 | 21.8° | 35.0° |
| N2 | C10 | C12 | C13 | 1.4° | 65.0° |
| N2 | C10 | C12 | H16 | 119.5° | 55.0° |
| N2 | C10 | C12 | H17 | 122.4° | 175.0° |
| N2 | C10 | C11 | N3 | 158.1° | 144.9° |
| H14 | N2 | C10 | C11 | 77.6° | 63.4° |
| H14 | N2 | C10 | C12 | 53.4° | 56.3° |
| H14 | N2 | C10 | H15 | 168.1° | 176.8° |
| C11 | C10 | C12 | H15 | 117.7° | 120.5° |
| C10 | C11 | O4 | N3 | 179.9° | 179.9° |
| C11 | C10 | C12 | C13 | 128.4° | 175.8° |
| C11 | C10 | C12 | H16 | 7.5° | 64.1° |
| C11 | C10 | C12 | H17 | 110.6° | 55.9° |
| C10 | C11 | N3 | C25 | 0.1° | 0.2° |
| C10 | C11 | N3 | C17 | 180.0° | 179.8° |
| C11 | C10 | N2 | C6 | 102.5° | 116.7° |
| C12 | C10 | C11 | O4 | 105.6° | 84.8° |
| C10 | C12 | C13 | H16 | 121.0° | 120.0° |
| C10 | C12 | C13 | H17 | 121.0° | 120.0° |
| C10 | C12 | H16 | H17 | 117.1° | 120.0° |
| C10 | C12 | C13 | C14 | 158.0° | 180.0° |
| C10 | C12 | C13 | H18 | 81.6° | 59.9° |
| C10 | C12 | C13 | H19 | 37.6° | 60.0° |
| C12 | C10 | N2 | C6 | 126.6° | 123.6° |
| C12 | C10 | C11 | N3 | 74.5° | 95.3° |
| H15 | C10 | C11 | O4 | 136.8° | 154.7° |
| H15 | C10 | C12 | C13 | 113.9° | 55.4° |
| H15 | C10 | C12 | H16 | 125.2° | 175.4° |
| H15 | C10 | C12 | H17 | 7.1° | 64.6° |
| H15 | C10 | N2 | C6 | 11.9° | 3.1° |
| H15 | C10 | C11 | N3 | 43.1° | 25.2° |
| O4 | C11 | N3 | C25 | 180.0° | 179.9° |
| O4 | C11 | N3 | C17 | 0.1° | 0.1° |
| C13 | C12 | H16 | H17 | 117.0° | 120.0° |
| C12 | C13 | C14 | H18 | 120.4° | 120.1° |
| C12 | C13 | C14 | H19 | 120.4° | 120.0° |
| C12 | C13 | H18 | H19 | 118.7° | 120.0° |
| C12 | C13 | C14 | C15 | 43.7° | 180.0° |
| C12 | C13 | C14 | H20 | 164.1° | 60.0° |
| C12 | C13 | C14 | H21 | 76.8° | 60.0° |
| H16 | C12 | C13 | C14 | 37.0° | 60.0° |
| H16 | C12 | C13 | H18 | 157.5° | 179.9° |
| H16 | C12 | C13 | H19 | 83.4° | 60.0° |
| H17 | C12 | C13 | C14 | 81.0° | 60.0° |
| H17 | C12 | C13 | H18 | 39.4° | 60.1° |
| H17 | C12 | C13 | H19 | 158.5° | 180.0° |
| C14 | C13 | H18 | H19 | 118.7° | 120.0° |
| C13 | C14 | C15 | H20 | 120.5° | 120.0° |
| C13 | C14 | C15 | H21 | 120.4° | 120.0° |
| C13 | C14 | H20 | H21 | 118.7° | 120.0° |
| C13 | C14 | C15 | H22 | 180.0° | 60.0° |
| C13 | C14 | C15 | H23 | 60.0° | 180.0° |
| C13 | C14 | C15 | H24 | 60.0° | 60.0° |
| H18 | C13 | C14 | C15 | 76.8° | 60.0° |
| H18 | C13 | C14 | H20 | 43.7° | 179.9° |
| H18 | C13 | C14 | H21 | 162.8° | 60.0° |
| H19 | C13 | C14 | C15 | 164.1° | 60.0° |
| H19 | C13 | C14 | H20 | 75.5° | 60.0° |
| H19 | C13 | C14 | H21 | 43.7° | 180.0° |
| C15 | C14 | H20 | H21 | 118.6° | 120.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C14 | C15 | H22 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| H20 | C14 | C15 | H22 | 59.5° | 60.0° |
| H20 | C14 | C15 | H23 | 179.6° | 60.1° |
| H20 | C14 | C15 | H24 | 60.5° | 179.9° |
| H21 | C14 | C15 | H22 | 59.5° | 180.0° |
| H21 | C14 | C15 | H23 | 60.5° | 60.0° |
| H21 | C14 | C15 | H24 | 179.6° | 60.0° |
| H22 | C15 | H23 | H24 | 120.0° | 120.0° |
| C25 | N3 | C17 | C11 | 179.9° | 180.0° |
| C25 | N3 | C17 | C18 | 106.0° | 174.1° |
| C25 | N3 | C17 | C16 | 121.6° | 54.3° |
| C25 | N3 | C17 | H25 | 7.4° | 65.6° |
| N3 | C25 | H32 | H33 | 120.0° | 120.0° |
| N3 | C25 | H32 | H34 | 120.0° | 120.1° |
| N3 | C25 | H33 | H34 | 120.0° | 120.0° |
| CL1 | C24 | C22 | C23 | 179.9° | 179.7° |
| CL1 | C24 | C22 | C20 | 180.0° | 180.0° |
| CL1 | C24 | C23 | C21 | 180.0° | 179.8° |
| CL1 | C24 | C22 | H30 | 0.0° | 0.2° |
| CL1 | C24 | C23 | H31 | 0.0° | 0.3° |
| N3 | C17 | C18 | C19 | 51.8° | 78.6° |
| N3 | C17 | C18 | C16 | 131.7° | 119.4° |
| N3 | C17 | C18 | H25 | 113.7° | 120.3° |
| N3 | C17 | C16 | H25 | 114.6° | 119.8° |
| N3 | C17 | C16 | O5 | 101.9° | 31.1° |
| N3 | C17 | C18 | H26 | 172.6° | 161.4° |
| N3 | C17 | C18 | H27 | 69.0° | 41.4° |
| C17 | N3 | C25 | H32 | 180.0° | 154.6° |
| C17 | N3 | C25 | H33 | 60.0° | 34.6° |
| C17 | N3 | C25 | H34 | 60.0° | 85.3° |
| N3 | C17 | C16 | N4 | 78.1° | 148.8° |
| C24 | C22 | C20 | H30 | 180.0° | 179.8° |
| C24 | C22 | C20 | C19 | 0.1° | 0.0° |
| C22 | C24 | C23 | C21 | 0.1° | 0.5° |
| C24 | C22 | C20 | H28 | 180.0° | 180.0° |
| C22 | C24 | C23 | H31 | 179.9° | 180.0° |
| C20 | C22 | C24 | C23 | 0.1° | 0.2° |
| C22 | C20 | C19 | H28 | 180.0° | 180.0° |
| C22 | C20 | C19 | C21 | 0.0° | 0.0° |
| C22 | C20 | C19 | C18 | 180.0° | 179.8° |
| C24 | C23 | C21 | H31 | 180.0° | 179.5° |
| C24 | C23 | C21 | C19 | 0.1° | 0.5° |
| C24 | C23 | C21 | H29 | 179.9° | 179.5° |
| C23 | C24 | C22 | H30 | 179.9° | 180.0° |
| C20 | C19 | C21 | C23 | 0.1° | 0.2° |
| C20 | C19 | C21 | C18 | 179.9° | 179.8° |
| C20 | C19 | C18 | C17 | 80.8° | 66.0° |
| C20 | C19 | C18 | H26 | 40.0° | 174.0° |
| C20 | C19 | C18 | H27 | 158.4° | 54.0° |
| C20 | C19 | C21 | H29 | 179.9° | 179.7° |
| C19 | C20 | C22 | H30 | 180.0° | 179.8° |
| C23 | C21 | C19 | H29 | 180.0° | 179.9° |
| C23 | C21 | C19 | C18 | 180.0° | 180.0° |
| C21 | C19 | C18 | C17 | 99.1° | 113.8° |
| C21 | C19 | C18 | H26 | 140.1° | 6.2° |
| C21 | C19 | C18 | H27 | 21.6° | 126.2° |
| C21 | C19 | C20 | H28 | 180.0° | 180.0° |
| C19 | C21 | C23 | H31 | 179.9° | 180.0° |
| C19 | C18 | C17 | H26 | 120.8° | 120.0° |
| C19 | C18 | C17 | H27 | 120.8° | 120.0° |
| C19 | C18 | C17 | C16 | 176.5° | 40.8° |
| C19 | C18 | C17 | H25 | 61.9° | 161.1° |
| C19 | C18 | H26 | H27 | 117.6° | 120.0° |
| C18 | C19 | C20 | H28 | 0.0° | 0.2° |
| C18 | C19 | C21 | H29 | 0.0° | 0.1° |
| C18 | C17 | C16 | H25 | 114.6° | 120.3° |
| C18 | C17 | C16 | O5 | 28.9° | 150.9° |
| C17 | C18 | H26 | H27 | 117.6° | 120.0° |
| C18 | C17 | N3 | C11 | 74.0° | 5.8° |
| C18 | C17 | C16 | N4 | 151.1° | 29.0° |
| C17 | C16 | O5 | N4 | 180.0° | 179.9° |
| C16 | C17 | C18 | H26 | 55.8° | 79.2° |
| C16 | C17 | C18 | H27 | 62.7° | 160.8° |
| C17 | C16 | N4 | C26 | 180.0° | 179.9° |
| C17 | C16 | N4 | H35 | 0.0° | 0.3° |
| C16 | C17 | N3 | C11 | 58.4° | 125.7° |
| O5 | C16 | C17 | H25 | 143.4° | 88.7° |
| O5 | C16 | N4 | C26 | 0.0° | 0.0° |
| O5 | C16 | N4 | H35 | 180.0° | 179.9° |
| H25 | C17 | C18 | H26 | 58.8° | 41.1° |
| H25 | C17 | C18 | H27 | 177.3° | 78.9° |
| H25 | C17 | N3 | C11 | 172.7° | 114.5° |
| H25 | C17 | C16 | N4 | 36.5° | 91.4° |
| H28 | C20 | C22 | H30 | 0.0° | 0.2° |
| H29 | C21 | C23 | H31 | 0.1° | 0.0° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
| H32 | C25 | N3 | C11 | 0.1° | 25.4° |
| H33 | C25 | N3 | C11 | 119.9° | 145.4° |
| H34 | C25 | N3 | C11 | 120.0° | 94.6° |
| C26 | N4 | H35 | C16 | 180.0° | 179.9° |
| N4 | C26 | C27 | C28 | 117.6° | 119.8° |
| N4 | C26 | C27 | H36 | 122.3° | 119.7° |
| N4 | C26 | C28 | H36 | 118.7° | 120.5° |
| N4 | C26 | C27 | O6 | 131.2° | 38.5° |
| N4 | C26 | C28 | O7 | 87.2° | 65.0° |
| N4 | C26 | C28 | H37 | 33.1° | 55.0° |
| N4 | C26 | C28 | H38 | 152.6° | 175.0° |
| N4 | C26 | C27 | N5 | 48.8° | 141.5° |
| H35 | N4 | C26 | C27 | 129.0° | 57.7° |
| H35 | N4 | C26 | C28 | 110.5° | 62.0° |
| H35 | N4 | C26 | H36 | 7.4° | 177.4° |
| C27 | C26 | C28 | H36 | 120.1° | 120.3° |
| C26 | C27 | O6 | N5 | 180.0° | 180.0° |
| C27 | C26 | C28 | O7 | 151.6° | 175.8° |
| C27 | C26 | C28 | H37 | 88.1° | 64.2° |
| C27 | C26 | C28 | H38 | 31.4° | 55.8° |
| C26 | C27 | N5 | C38 | 0.0° | 0.1° |
| C26 | C27 | N5 | C30 | 180.0° | 179.9° |
| C27 | C26 | N4 | C16 | 51.0° | 122.4° |
| C28 | C26 | C27 | O6 | 13.6° | 81.4° |
| C26 | C28 | O7 | H37 | 120.3° | 119.9° |
| C26 | C28 | O7 | H38 | 120.2° | 120.1° |
| C26 | C28 | H37 | H38 | 119.2° | 120.1° |
| C26 | C28 | O7 | H39 | 180.0° | 179.9° |
| C28 | C26 | N4 | C16 | 69.5° | 117.8° |
| C28 | C26 | C27 | N5 | 166.4° | 98.7° |
| H36 | C26 | C27 | O6 | 106.5° | 158.2° |
| H36 | C26 | C28 | O7 | 31.5° | 55.5° |
| H36 | C26 | C28 | H37 | 151.8° | 175.4° |
| H36 | C26 | C28 | H38 | 88.7° | 64.5° |
| H36 | C26 | N4 | C16 | 172.6° | 2.7° |
| H36 | C26 | C27 | N5 | 73.5° | 21.8° |
| O6 | C27 | N5 | C38 | 180.0° | 179.9° |
| O6 | C27 | N5 | C30 | 0.0° | 0.2° |
| O7 | C28 | H37 | H38 | 119.2° | 120.0° |
| H37 | C28 | O7 | H39 | 59.7° | 60.0° |
| H38 | C28 | O7 | H39 | 59.8° | 60.0° |
| C38 | N5 | C30 | C27 | 180.0° | 180.0° |
| C38 | N5 | C30 | C31 | 112.5° | 164.7° |
| C38 | N5 | C30 | C29 | 114.3° | 44.8° |
| C38 | N5 | C30 | H40 | 1.1° | 75.1° |
| N5 | C38 | H47 | H48 | 120.0° | 120.0° |
| N5 | C38 | H47 | H49 | 120.0° | 120.1° |
| N5 | C38 | H48 | H49 | 120.0° | 120.0° |
| CL2 | C37 | C35 | C36 | 179.9° | 179.7° |
| CL2 | C37 | C35 | C33 | 180.0° | 179.9° |
| CL2 | C37 | C36 | C34 | 180.0° | 179.9° |
| CL2 | C37 | C35 | H45 | 0.0° | 0.3° |
| CL2 | C37 | C36 | H46 | 0.0° | 0.3° |
| N5 | C30 | C31 | C32 | 48.3° | 177.1° |
| N5 | C30 | C31 | C29 | 132.9° | 119.4° |
| N5 | C30 | C31 | H40 | 113.9° | 120.3° |
| N5 | C30 | C29 | H40 | 113.5° | 119.8° |
| N5 | C30 | C29 | O8 | 134.2° | 35.8° |
| N5 | C30 | C31 | H41 | 169.0° | 57.1° |
| N5 | C30 | C31 | H42 | 72.5° | 63.0° |
| C30 | N5 | C38 | H47 | 180.0° | 145.0° |
| C30 | N5 | C38 | H48 | 60.0° | 25.0° |
| C30 | N5 | C38 | H49 | 60.0° | 95.0° |
| N5 | C30 | C29 | N6 | 45.7° | 144.4° |
| C37 | C35 | C33 | H45 | 180.0° | 179.8° |
| C37 | C35 | C33 | C32 | 0.0° | 0.0° |
| C35 | C37 | C36 | C34 | 0.0° | 0.5° |
| C37 | C35 | C33 | H43 | 179.9° | 180.0° |
| C35 | C37 | C36 | H46 | 180.0° | 179.9° |
| C33 | C35 | C37 | C36 | 0.0° | 0.3° |
| C35 | C33 | C32 | H43 | 180.0° | 180.0° |
| C35 | C33 | C32 | C34 | 0.0° | 0.1° |
| C35 | C33 | C32 | C31 | 180.0° | 179.8° |
| C37 | C36 | C34 | H46 | 180.0° | 179.6° |
| C37 | C36 | C34 | C32 | 0.0° | 0.4° |
| C37 | C36 | C34 | H44 | 180.0° | 179.5° |
| C36 | C37 | C35 | H45 | 180.0° | 180.0° |
| C33 | C32 | C34 | C36 | 0.0° | 0.2° |
| C33 | C32 | C34 | C31 | 180.0° | 179.8° |
| C33 | C32 | C31 | C30 | 86.8° | 146.0° |
| C33 | C32 | C31 | H41 | 152.5° | 94.1° |
| C33 | C32 | C31 | H42 | 33.9° | 26.0° |
| C33 | C32 | C34 | H44 | 180.0° | 179.8° |
| C32 | C33 | C35 | H45 | 180.0° | 179.8° |
| C36 | C34 | C32 | H44 | 180.0° | 179.9° |
| C36 | C34 | C32 | C31 | 180.0° | 180.0° |
| C34 | C32 | C31 | C30 | 93.2° | 33.9° |
| C34 | C32 | C31 | H41 | 27.6° | 86.1° |
| C34 | C32 | C31 | H42 | 146.1° | 153.8° |
| C34 | C32 | C33 | H43 | 179.9° | 180.0° |
| C32 | C34 | C36 | H46 | 180.0° | 180.0° |
| C32 | C31 | C30 | H41 | 120.7° | 120.0° |
| C32 | C31 | C30 | H42 | 120.8° | 119.9° |
| C32 | C31 | C30 | C29 | 178.8° | 63.6° |
| C32 | C31 | C30 | H40 | 65.7° | 56.8° |
| C32 | C31 | H41 | H42 | 117.7° | 120.0° |
| C31 | C32 | C33 | H43 | 0.1° | 0.2° |
| C31 | C32 | C34 | H44 | 0.0° | 0.1° |
| C31 | C30 | C29 | H40 | 113.1° | 120.3° |
| C31 | C30 | C29 | O8 | 0.8° | 155.6° |
| C30 | C31 | H41 | H42 | 117.7° | 120.0° |
| C31 | C30 | N5 | C27 | 67.5° | 15.4° |
| C31 | C30 | C29 | N6 | 179.1° | 24.5° |
| C30 | C29 | O8 | N6 | 179.9° | 179.8° |
| C29 | C30 | C31 | H41 | 58.1° | 176.4° |
| C29 | C30 | C31 | H42 | 60.4° | 56.4° |
| C30 | C29 | N6 | C39 | 180.0° | 179.6° |
| C30 | C29 | N6 | H50 | 0.0° | 0.1° |
| C29 | C30 | N5 | C27 | 65.7° | 135.2° |
| O8 | C29 | C30 | H40 | 112.3° | 84.0° |
| O8 | C29 | N6 | C39 | 0.1° | 0.2° |
| O8 | C29 | N6 | H50 | 179.9° | 179.9° |
| H40 | C30 | C31 | H41 | 55.1° | 63.2° |
| H40 | C30 | C31 | H42 | 173.6° | 176.7° |
| H40 | C30 | N5 | C27 | 178.9° | 104.9° |
| H40 | C30 | C29 | N6 | 67.8° | 95.8° |
| H43 | C33 | C35 | H45 | 0.1° | 0.2° |
| H44 | C34 | C36 | H46 | 0.0° | 0.1° |
| H47 | C38 | H48 | H49 | 120.0° | 119.9° |
| H47 | C38 | N5 | C27 | 0.0° | 35.0° |
| H48 | C38 | N5 | C27 | 120.0° | 155.0° |
| H49 | C38 | N5 | C27 | 120.0° | 85.1° |
| C39 | N6 | H50 | C29 | 180.0° | 179.6° |
| N6 | C39 | C40 | C41 | 119.1° | 119.1° |
| N6 | C39 | C40 | H51 | 120.8° | 120.4° |
| N6 | C39 | C41 | H51 | 119.0° | 119.7° |
| N6 | C39 | C40 | O9 | 162.4° | 55.5° |
| N6 | C39 | C41 | N7 | 79.4° | 109.4° |
| N6 | C39 | C41 | H52 | 41.4° | 130.8° |
| N6 | C39 | C41 | H53 | 159.9° | 10.4° |
| N6 | C39 | C40 | N8 | 17.6° | 124.5° |
| H50 | N6 | C39 | C40 | 126.4° | 165.2° |
| H50 | N6 | C39 | C41 | 112.0° | 45.4° |
| H50 | N6 | C39 | H51 | 6.2° | 74.2° |
| C40 | C39 | C41 | H51 | 120.2° | 120.6° |
| C39 | C40 | O9 | N8 | 180.0° | 180.0° |
| C40 | C39 | C41 | N7 | 159.9° | 10.4° |
| C40 | C39 | C41 | H52 | 79.4° | 109.4° |
| C40 | C39 | C41 | H53 | 39.1° | 130.2° |
| C39 | C40 | N8 | C42 | 180.0° | 180.0° |
| C39 | C40 | N8 | H55 | 0.0° | 0.0° |
| C40 | C39 | N6 | C29 | 53.6° | 15.1° |
| C41 | C39 | C40 | O9 | 43.3° | 63.6° |
| C39 | C41 | N7 | H52 | 120.8° | 119.9° |
| C39 | C41 | N7 | H53 | 120.8° | 119.8° |
| C39 | C41 | H52 | H53 | 117.6° | 120.4° |
| C39 | C41 | N7 | H54 | 27.0° | 10.5° |
| C39 | C41 | N7 | C4 | 153.0° | 169.6° |
| C41 | C39 | N6 | C29 | 68.0° | 134.9° |
| C41 | C39 | C40 | N8 | 136.7° | 116.4° |
| H51 | C39 | C40 | O9 | 76.9° | 175.9° |
| H51 | C39 | C41 | N7 | 39.6° | 131.0° |
| H51 | C39 | C41 | H52 | 160.4° | 11.2° |
| H51 | C39 | C41 | H53 | 81.1° | 109.3° |
| H51 | C39 | N6 | C29 | 173.8° | 105.4° |
| H51 | C39 | C40 | N8 | 103.1° | 4.0° |
| O9 | C40 | N8 | C42 | 0.0° | 0.0° |
| O9 | C40 | N8 | H55 | 180.0° | 180.0° |
| N7 | C41 | H52 | H53 | 117.6° | 120.3° |
| C41 | N7 | H54 | C4 | 180.0° | 179.9° |
| H52 | C41 | N7 | H54 | 147.8° | 109.4° |
| H52 | C41 | N7 | C4 | 32.2° | 70.5° |
| H53 | C41 | N7 | H54 | 93.8° | 130.2° |
| H53 | C41 | N7 | C4 | 86.2° | 49.9° |
| C42 | N8 | H55 | C40 | 180.0° | 180.0° |
| N8 | C42 | C43 | H56 | 120.5° | 120.0° |
| N8 | C42 | C43 | H57 | 120.5° | 120.0° |
| N8 | C42 | H56 | H57 | 118.5° | 120.1° |
| N8 | C42 | C43 | O10 | 12.9° | 0.0° |
| N8 | C42 | C43 | N9 | 167.1° | 179.9° |
| H55 | N8 | C42 | C43 | 115.6° | 0.0° |
| H55 | N8 | C42 | H56 | 123.8° | 120.0° |
| H55 | N8 | C42 | H57 | 4.8° | 120.0° |
| C43 | C42 | H56 | H57 | 118.4° | 119.9° |
| C42 | C43 | O10 | N9 | 180.0° | 179.9° |
| C42 | C43 | N9 | H58 | 180.0° | 0.1° |
| C42 | C43 | N9 | H59 | 0.0° | 180.0° |
| C43 | C42 | N8 | C40 | 64.3° | 180.0° |
| H56 | C42 | C43 | O10 | 133.5° | 120.0° |
| H56 | C42 | N8 | C40 | 56.2° | 60.0° |
| H56 | C42 | C43 | N9 | 46.5° | 59.9° |
| H57 | C42 | C43 | O10 | 107.6° | 120.1° |
| H57 | C42 | N8 | C40 | 175.2° | 60.0° |
| H57 | C42 | C43 | N9 | 72.4° | 60.0° |
| O10 | C43 | N9 | H58 | 0.0° | 180.0° |
| O10 | C43 | N9 | H59 | 180.0° | 0.1° |
| H58 | N9 | H59 | C43 | 180.0° | 179.9° |
