PRD_000346
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.49Å | 1.43Å | |
| N1 | C5 | sing | 1.49Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | C3 | sing | 1.54Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.27Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.49Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.47Å | 1.44Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.24Å | |
| C8 | O3 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | C10 | sing | 1.46Å | 1.48Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O5 | doub | 1.21Å | 1.29Å | |
| C14 | O6 | sing | 1.34Å | 1.29Å | |
| O6 | H22 | sing | 0.97Å | 0.95Å | |
| N4 | C15 | sing | 1.46Å | 1.47Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | N5 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| N5 | H34 | sing | 1.01Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| C32 | H42 | sing | 1.08Å | 1.08Å | |
| N6 | C33 | sing | 1.47Å | 1.46Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | O8 | doub | 1.21Å | 1.24Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | N7 | sing | 1.47Å | 1.47Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| N7 | C38 | sing | 1.37Å | 1.34Å | |
| N7 | H51 | sing | 0.97Å | 1.00Å | |
| C38 | N8 | sing | 1.33Å | 1.34Å | |
| C38 | N9 | doub | 1.33Å | 1.34Å | |
| N8 | H52 | sing | 0.97Å | 1.00Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| N9 | H54 | sing | 0.97Å | 1.00Å | |
| N9 | H55 | sing | 0.97Å | 1.00Å | |
| N10 | C39 | sing | 1.46Å | 1.47Å | |
| N10 | H56 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.51Å | 1.53Å | |
| C39 | C41 | sing | 1.53Å | 1.53Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C40 | O9 | doub | 1.21Å | 1.24Å | |
| C40 | O12 | sing | 1.34Å | 1.24Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.53Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C42 | H61 | sing | 1.09Å | 1.10Å | |
| C43 | O10 | doub | 1.21Å | 1.29Å | |
| C43 | O11 | sing | 1.34Å | 1.29Å | |
| O11 | H62 | sing | 0.97Å | 0.95Å | |
| O12 | H63 | sing | 0.97Å | 0.95Å | |
| C11 | N4 | sing | 1.35Å | 1.30Å | |
| C25 | N6 | sing | 1.35Å | 1.32Å | |
| C2 | N2 | sing | 1.35Å | 1.29Å | |
| C7 | N3 | sing | 1.35Å | 1.31Å | |
| C34 | N10 | sing | 1.35Å | 1.29Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 116.0° | 104.2° |
| C1 | N1 | H1 | 107.8° | 111.0° |
| N1 | C1 | C2 | 109.2° | 110.4° |
| N1 | C1 | C3 | 104.3° | 104.6° |
| N1 | C1 | H2 | 110.9° | 110.4° |
| C5 | N1 | H1 | 107.8° | 111.0° |
| N1 | C5 | C4 | 103.8° | 104.6° |
| N1 | C5 | H7 | 110.9° | 110.4° |
| N1 | C5 | H8 | 110.9° | 110.4° |
| C2 | C1 | C3 | 112.3° | 110.4° |
| C2 | C1 | H2 | 110.2° | 110.4° |
| C1 | C2 | O1 | 119.1° | 120.0° |
| C1 | C2 | N2 | 113.9° | 120.0° |
| C3 | C1 | H2 | 109.8° | 110.5° |
| C1 | C3 | C4 | 107.4° | 105.0° |
| C1 | C3 | H3 | 110.0° | 110.3° |
| C1 | C3 | H4 | 110.0° | 110.3° |
| O1 | C2 | N2 | 127.0° | 120.0° |
| C4 | C3 | H3 | 110.0° | 110.3° |
| C4 | C3 | H4 | 110.0° | 110.3° |
| C3 | C4 | C5 | 108.5° | 105.1° |
| C3 | C4 | H5 | 109.7° | 110.3° |
| C3 | C4 | H6 | 109.7° | 110.3° |
| H3 | C3 | H4 | 109.5° | 110.4° |
| C5 | C4 | H5 | 109.7° | 110.3° |
| C5 | C4 | H6 | 109.7° | 110.3° |
| C4 | C5 | H7 | 110.9° | 110.4° |
| C4 | C5 | H8 | 110.9° | 110.4° |
| H5 | C4 | H6 | 109.5° | 110.4° |
| H7 | C5 | H8 | 109.5° | 110.5° |
| C6 | N2 | H9 | 118.5° | 120.0° |
| N2 | C6 | C7 | 108.4° | 109.5° |
| N2 | C6 | C8 | 108.7° | 109.4° |
| N2 | C6 | H10 | 106.1° | 109.4° |
| C6 | N2 | C2 | 123.0° | 120.0° |
| H9 | N2 | C2 | 118.5° | 120.0° |
| C7 | C6 | C8 | 122.3° | 109.5° |
| C7 | C6 | H10 | 105.1° | 109.5° |
| C6 | C7 | O2 | 121.1° | 120.0° |
| C6 | C7 | N3 | 115.2° | 120.0° |
| C8 | C6 | H10 | 105.2° | 109.5° |
| C6 | C8 | O3 | 110.1° | 109.5° |
| C6 | C8 | C9 | 112.7° | 109.5° |
| C6 | C8 | H11 | 109.3° | 109.4° |
| O2 | C7 | N3 | 123.1° | 120.0° |
| O3 | C8 | C9 | 104.6° | 109.5° |
| O3 | C8 | H11 | 110.8° | 109.5° |
| C8 | O3 | H12 | 109.5° | 114.0° |
| C9 | C8 | H11 | 109.2° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| C10 | N3 | H16 | 118.8° | 120.0° |
| N3 | C10 | C11 | 110.0° | 109.5° |
| N3 | C10 | C12 | 110.3° | 109.5° |
| N3 | C10 | H17 | 110.2° | 109.5° |
| C10 | N3 | C7 | 122.5° | 120.0° |
| H16 | N3 | C7 | 118.8° | 120.0° |
| C11 | C10 | C12 | 107.3° | 109.5° |
| C11 | C10 | H17 | 109.6° | 109.5° |
| C10 | C11 | O4 | 120.9° | 120.0° |
| C10 | C11 | N4 | 113.7° | 120.0° |
| C12 | C10 | H17 | 109.4° | 109.5° |
| C10 | C12 | C13 | 113.3° | 109.5° |
| C10 | C12 | H18 | 108.5° | 109.5° |
| C10 | C12 | H19 | 108.5° | 109.5° |
| O4 | C11 | N4 | 125.3° | 119.9° |
| C13 | C12 | H18 | 108.5° | 109.4° |
| C13 | C12 | H19 | 108.5° | 109.4° |
| C12 | C13 | C14 | 113.0° | 109.5° |
| C12 | C13 | H20 | 108.6° | 109.5° |
| C12 | C13 | H21 | 108.6° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| C14 | C13 | H20 | 108.6° | 109.5° |
| C14 | C13 | H21 | 108.6° | 109.5° |
| C13 | C14 | O5 | 120.0° | 120.0° |
| C13 | C14 | O6 | 120.0° | 120.0° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| O5 | C14 | O6 | 120.0° | 120.0° |
| C14 | O6 | H22 | 109.5° | 117.0° |
| C15 | N4 | H23 | 118.6° | 120.0° |
| N4 | C15 | C16 | 109.7° | 109.5° |
| N4 | C15 | C17 | 110.0° | 109.5° |
| N4 | C15 | H24 | 109.7° | 109.5° |
| C15 | N4 | C11 | 122.9° | 120.1° |
| H23 | N4 | C11 | 118.6° | 119.9° |
| C16 | C15 | C17 | 109.4° | 109.4° |
| C16 | C15 | H24 | 109.0° | 109.4° |
| C15 | C16 | H25 | 109.4° | 109.5° |
| C15 | C16 | H26 | 109.4° | 109.4° |
| C15 | C16 | N5 | 109.8° | 109.4° |
| C17 | C15 | H24 | 108.9° | 109.4° |
| C15 | C17 | C18 | 113.0° | 109.4° |
| C15 | C17 | H27 | 108.6° | 109.5° |
| C15 | C17 | H28 | 108.6° | 109.5° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| H25 | C16 | N5 | 109.4° | 109.5° |
| H26 | C16 | N5 | 109.4° | 109.4° |
| C16 | N5 | C24 | 122.5° | 111.0° |
| C16 | N5 | H34 | 106.1° | 111.0° |
| C18 | C17 | H27 | 108.6° | 109.4° |
| C18 | C17 | H28 | 108.6° | 109.5° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | C20 | 120.0° | 120.0° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| C19 | C18 | C20 | 120.0° | 120.0° |
| C18 | C19 | C21 | 120.0° | 120.0° |
| C18 | C19 | H29 | 120.0° | 120.0° |
| C18 | C20 | C22 | 120.0° | 120.0° |
| C18 | C20 | H30 | 120.0° | 120.0° |
| C21 | C19 | H29 | 120.0° | 120.0° |
| C19 | C21 | C23 | 120.0° | 120.0° |
| C19 | C21 | H31 | 120.0° | 120.0° |
| C22 | C20 | H30 | 120.0° | 120.0° |
| C20 | C22 | C23 | 120.0° | 120.0° |
| C20 | C22 | H32 | 120.0° | 120.0° |
| C23 | C21 | H31 | 120.0° | 120.0° |
| C21 | C23 | C22 | 120.0° | 119.9° |
| C21 | C23 | H33 | 120.0° | 120.0° |
| C23 | C22 | H32 | 120.0° | 120.0° |
| C22 | C23 | H33 | 120.0° | 120.1° |
| C24 | N5 | H34 | 106.1° | 111.0° |
| N5 | C24 | C25 | 110.5° | 109.5° |
| N5 | C24 | C26 | 110.7° | 109.4° |
| N5 | C24 | H35 | 108.6° | 109.5° |
| C25 | C24 | C26 | 111.2° | 109.5° |
| C25 | C24 | H35 | 107.9° | 109.5° |
| C24 | C25 | O7 | 121.0° | 120.0° |
| C24 | C25 | N6 | 112.3° | 120.0° |
| C26 | C24 | H35 | 107.8° | 109.5° |
| C24 | C26 | C27 | 113.4° | 109.5° |
| C24 | C26 | H36 | 108.5° | 109.5° |
| C24 | C26 | H37 | 108.5° | 109.5° |
| O7 | C25 | N6 | 126.7° | 120.0° |
| C27 | C26 | H36 | 108.5° | 109.4° |
| C27 | C26 | H37 | 108.5° | 109.5° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | C29 | 119.9° | 120.0° |
| H36 | C26 | H37 | 109.5° | 109.4° |
| C28 | C27 | C29 | 120.1° | 120.0° |
| C27 | C28 | C30 | 120.0° | 120.0° |
| C27 | C28 | H38 | 120.0° | 120.0° |
| C27 | C29 | C31 | 120.0° | 120.0° |
| C27 | C29 | H39 | 120.0° | 120.0° |
| C30 | C28 | H38 | 120.0° | 120.0° |
| C28 | C30 | C32 | 120.0° | 120.0° |
| C28 | C30 | H40 | 120.0° | 120.0° |
| C31 | C29 | H39 | 120.0° | 120.0° |
| C29 | C31 | C32 | 120.0° | 120.0° |
| C29 | C31 | H41 | 120.0° | 120.0° |
| C32 | C30 | H40 | 120.0° | 120.0° |
| C30 | C32 | C31 | 120.0° | 120.0° |
| C30 | C32 | H42 | 120.0° | 120.0° |
| C32 | C31 | H41 | 120.0° | 120.1° |
| C31 | C32 | H42 | 120.0° | 120.0° |
| C33 | N6 | H43 | 118.0° | 120.0° |
| N6 | C33 | C34 | 109.6° | 109.5° |
| N6 | C33 | C35 | 109.3° | 109.4° |
| N6 | C33 | H44 | 111.0° | 109.4° |
| C33 | N6 | C25 | 124.0° | 120.0° |
| H43 | N6 | C25 | 118.0° | 120.0° |
| C34 | C33 | C35 | 106.7° | 109.5° |
| C34 | C33 | H44 | 110.0° | 109.5° |
| C33 | C34 | O8 | 121.0° | 120.0° |
| C33 | C34 | N10 | 115.4° | 120.0° |
| C35 | C33 | H44 | 110.1° | 109.5° |
| C33 | C35 | C36 | 113.2° | 109.5° |
| C33 | C35 | H45 | 108.5° | 109.5° |
| C33 | C35 | H46 | 108.5° | 109.5° |
| O8 | C34 | N10 | 123.5° | 120.0° |
| C36 | C35 | H45 | 108.5° | 109.5° |
| C36 | C35 | H46 | 108.5° | 109.4° |
| C35 | C36 | C37 | 112.9° | 109.5° |
| C35 | C36 | H47 | 108.6° | 109.5° |
| C35 | C36 | H48 | 108.6° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.4° |
| C37 | C36 | H47 | 108.6° | 109.5° |
| C37 | C36 | H48 | 108.6° | 109.4° |
| C36 | C37 | N7 | 112.9° | 109.5° |
| C36 | C37 | H49 | 108.6° | 109.5° |
| C36 | C37 | H50 | 108.6° | 109.5° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| N7 | C37 | H49 | 108.6° | 109.5° |
| N7 | C37 | H50 | 108.6° | 109.4° |
| C37 | N7 | C38 | 124.0° | 120.0° |
| C37 | N7 | H51 | 118.0° | 120.0° |
| H49 | C37 | H50 | 109.5° | 109.5° |
| C38 | N7 | H51 | 118.0° | 120.0° |
| N7 | C38 | N8 | 121.1° | 120.0° |
| N7 | C38 | N9 | 124.0° | 120.0° |
| N8 | C38 | N9 | 115.0° | 120.0° |
| C38 | N8 | H52 | 120.0° | 120.0° |
| C38 | N8 | H53 | 120.0° | 120.0° |
| C38 | N9 | H54 | 120.0° | 120.0° |
| C38 | N9 | H55 | 120.0° | 120.0° |
| H52 | N8 | H53 | 120.0° | 120.0° |
| H54 | N9 | H55 | 120.0° | 120.0° |
| C39 | N10 | H56 | 118.9° | 120.0° |
| N10 | C39 | C40 | 110.0° | 109.4° |
| N10 | C39 | C41 | 110.2° | 109.5° |
| N10 | C39 | H57 | 109.1° | 109.5° |
| C39 | N10 | C34 | 122.2° | 120.0° |
| H56 | N10 | C34 | 118.9° | 120.0° |
| C40 | C39 | C41 | 110.9° | 109.5° |
| C40 | C39 | H57 | 108.3° | 109.5° |
| C39 | C40 | O9 | 120.9° | 120.0° |
| C39 | C40 | O12 | 120.0° | 120.0° |
| C41 | C39 | H57 | 108.3° | 109.5° |
| C39 | C41 | C42 | 112.7° | 109.5° |
| C39 | C41 | H58 | 108.6° | 109.5° |
| C39 | C41 | H59 | 108.6° | 109.5° |
| O9 | C40 | O12 | 119.1° | 120.0° |
| C40 | O12 | H63 | 109.5° | 117.0° |
| C42 | C41 | H58 | 108.6° | 109.5° |
| C42 | C41 | H59 | 108.6° | 109.5° |
| C41 | C42 | C43 | 113.0° | 109.5° |
| C41 | C42 | H60 | 108.6° | 109.5° |
| C41 | C42 | H61 | 108.6° | 109.4° |
| H58 | C41 | H59 | 109.5° | 109.4° |
| C43 | C42 | H60 | 108.6° | 109.5° |
| C43 | C42 | H61 | 108.6° | 109.5° |
| C42 | C43 | O10 | 120.0° | 120.0° |
| C42 | C43 | O11 | 120.0° | 120.0° |
| H60 | C42 | H61 | 109.5° | 109.4° |
| O10 | C43 | O11 | 120.0° | 120.0° |
| C43 | O11 | H62 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C5 | H1 | 120.9° | 119.6° |
| N1 | C1 | C2 | C3 | 115.2° | 115.2° |
| N1 | C1 | C2 | H2 | 122.1° | 122.4° |
| N1 | C1 | C3 | H2 | 118.9° | 118.9° |
| N1 | C1 | C2 | O1 | 26.1° | 18.5° |
| N1 | C1 | C3 | C4 | 0.6° | 23.9° |
| N1 | C1 | C3 | H3 | 120.3° | 95.1° |
| N1 | C1 | C3 | H4 | 119.1° | 142.7° |
| C1 | N1 | C5 | C4 | 1.0° | 39.5° |
| C1 | N1 | C5 | H7 | 120.1° | 79.3° |
| C1 | N1 | C5 | H8 | 118.1° | 158.2° |
| N1 | C1 | C2 | N2 | 152.7° | 161.4° |
| C5 | N1 | C1 | C2 | 119.2° | 158.2° |
| C5 | N1 | C1 | C3 | 1.1° | 39.5° |
| C5 | N1 | C1 | H2 | 119.2° | 79.4° |
| N1 | C5 | C4 | C3 | 0.5° | 23.9° |
| N1 | C5 | C4 | H7 | 119.1° | 118.8° |
| N1 | C5 | C4 | H8 | 119.1° | 118.8° |
| N1 | C5 | C4 | H5 | 120.4° | 95.0° |
| N1 | C5 | C4 | H6 | 119.3° | 142.7° |
| N1 | C5 | H7 | H8 | 122.6° | 122.4° |
| H1 | N1 | C1 | C2 | 119.9° | 82.2° |
| H1 | N1 | C1 | C3 | 119.9° | 159.1° |
| H1 | N1 | C1 | H2 | 1.8° | 40.1° |
| H1 | N1 | C5 | C4 | 119.9° | 159.1° |
| H1 | N1 | C5 | H7 | 0.8° | 40.3° |
| H1 | N1 | C5 | H8 | 121.0° | 82.2° |
| C2 | C1 | C3 | H2 | 122.9° | 122.4° |
| C1 | C2 | O1 | N2 | 178.7° | 179.9° |
| C2 | C1 | C3 | C4 | 117.5° | 142.6° |
| C2 | C1 | C3 | H3 | 2.1° | 23.7° |
| C2 | C1 | C3 | H4 | 122.8° | 98.5° |
| C1 | C2 | N2 | C6 | 179.6° | 180.0° |
| C1 | C2 | N2 | H9 | 0.4° | 0.1° |
| C3 | C1 | C2 | O1 | 89.1° | 96.7° |
| C1 | C3 | C4 | H3 | 119.7° | 118.9° |
| C1 | C3 | C4 | H4 | 119.7° | 118.9° |
| C1 | C3 | H3 | H4 | 120.9° | 122.2° |
| C1 | C3 | C4 | C5 | 0.0° | 0.0° |
| C1 | C3 | C4 | H5 | 119.8° | 118.9° |
| C1 | C3 | C4 | H6 | 119.9° | 118.9° |
| C3 | C1 | C2 | N2 | 92.1° | 83.4° |
| H2 | C1 | C2 | O1 | 148.2° | 140.8° |
| H2 | C1 | C3 | C4 | 119.6° | 95.0° |
| H2 | C1 | C3 | H3 | 120.8° | 146.1° |
| H2 | C1 | C3 | H4 | 0.1° | 23.9° |
| H2 | C1 | C2 | N2 | 30.6° | 39.0° |
| O1 | C2 | N2 | C6 | 1.7° | 0.1° |
| O1 | C2 | N2 | H9 | 178.3° | 180.0° |
| C4 | C3 | H3 | H4 | 120.9° | 122.2° |
| C3 | C4 | C5 | H5 | 119.8° | 118.9° |
| C3 | C4 | C5 | H6 | 119.9° | 118.9° |
| C3 | C4 | H5 | H6 | 120.4° | 122.2° |
| C3 | C4 | C5 | H7 | 119.6° | 94.9° |
| C3 | C4 | C5 | H8 | 118.6° | 142.6° |
| H3 | C3 | C4 | C5 | 119.7° | 118.9° |
| H3 | C3 | C4 | H5 | 0.1° | 0.0° |
| H3 | C3 | C4 | H6 | 120.4° | 122.2° |
| H4 | C3 | C4 | C5 | 119.6° | 118.9° |
| H4 | C3 | C4 | H5 | 120.5° | 122.3° |
| H4 | C3 | C4 | H6 | 0.2° | 0.0° |
| C5 | C4 | H5 | H6 | 120.4° | 122.2° |
| C4 | C5 | H7 | H8 | 122.6° | 122.4° |
| H5 | C4 | C5 | H7 | 120.6° | 146.2° |
| H5 | C4 | C5 | H8 | 1.3° | 23.7° |
| H6 | C4 | C5 | H7 | 0.2° | 24.0° |
| H6 | C4 | C5 | H8 | 121.6° | 98.5° |
| C6 | N2 | H9 | C2 | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 127.5° | 120.0° |
| N2 | C6 | C7 | H10 | 113.1° | 120.0° |
| N2 | C6 | C8 | H10 | 113.3° | 119.9° |
| N2 | C6 | C7 | O2 | 19.1° | 6.5° |
| N2 | C6 | C8 | O3 | 49.1° | 59.7° |
| N2 | C6 | C8 | C9 | 67.3° | 60.3° |
| N2 | C6 | C8 | H11 | 171.0° | 179.6° |
| N2 | C6 | C7 | N3 | 151.7° | 173.6° |
| H9 | N2 | C6 | C7 | 45.6° | 25.0° |
| H9 | N2 | C6 | C8 | 89.3° | 95.1° |
| H9 | N2 | C6 | H10 | 158.1° | 145.0° |
| C7 | C6 | C8 | H10 | 119.4° | 120.0° |
| C6 | C7 | O2 | N3 | 170.0° | 179.9° |
| C7 | C6 | C8 | O3 | 78.3° | 60.3° |
| C7 | C6 | C8 | C9 | 165.3° | 179.6° |
| C7 | C6 | C8 | H11 | 43.7° | 59.6° |
| C6 | C7 | N3 | C10 | 179.3° | 175.2° |
| C6 | C7 | N3 | H16 | 0.7° | 4.8° |
| C7 | C6 | N2 | C2 | 134.4° | 154.9° |
| C8 | C6 | C7 | O2 | 108.4° | 113.5° |
| C6 | C8 | O3 | C9 | 121.4° | 120.0° |
| C6 | C8 | O3 | H11 | 121.0° | 120.0° |
| C6 | C8 | C9 | H11 | 121.7° | 120.0° |
| C6 | C8 | O3 | H12 | 180.0° | 59.9° |
| C6 | C8 | C9 | H13 | 180.0° | 55.9° |
| C6 | C8 | C9 | H14 | 60.0° | 175.9° |
| C6 | C8 | C9 | H15 | 60.0° | 64.1° |
| C8 | C6 | N2 | C2 | 90.7° | 85.0° |
| C8 | C6 | C7 | N3 | 80.8° | 66.4° |
| H10 | C6 | C7 | O2 | 132.2° | 126.5° |
| H10 | C6 | C8 | O3 | 162.4° | 179.6° |
| H10 | C6 | C8 | C9 | 46.0° | 59.6° |
| H10 | C6 | C8 | H11 | 75.7° | 60.4° |
| H10 | C6 | N2 | C2 | 22.0° | 34.9° |
| H10 | C6 | C7 | N3 | 38.6° | 53.6° |
| O2 | C7 | N3 | C10 | 8.7° | 4.9° |
| O2 | C7 | N3 | H16 | 171.3° | 175.1° |
| O3 | C8 | C9 | H11 | 118.7° | 120.0° |
| O3 | C8 | C9 | H13 | 60.4° | 64.1° |
| O3 | C8 | C9 | H14 | 179.6° | 55.9° |
| O3 | C8 | C9 | H15 | 59.6° | 175.9° |
| C9 | C8 | O3 | H12 | 58.6° | 180.0° |
| C8 | C9 | H13 | H14 | 120.0° | 120.0° |
| C8 | C9 | H13 | H15 | 120.0° | 120.0° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| H11 | C8 | O3 | H12 | 59.0° | 60.0° |
| H11 | C8 | C9 | H13 | 58.3° | 175.9° |
| H11 | C8 | C9 | H14 | 61.7° | 64.1° |
| H11 | C8 | C9 | H15 | 178.3° | 55.9° |
| H13 | C9 | H14 | H15 | 120.0° | 120.0° |
| C10 | N3 | H16 | C7 | 180.0° | 180.0° |
| N3 | C10 | C11 | C12 | 120.0° | 120.0° |
| N3 | C10 | C11 | H17 | 121.2° | 120.1° |
| N3 | C10 | C12 | H17 | 121.4° | 120.0° |
| N3 | C10 | C11 | O4 | 108.4° | 0.0° |
| N3 | C10 | C12 | C13 | 56.1° | 65.0° |
| N3 | C10 | C12 | H18 | 64.4° | 55.0° |
| N3 | C10 | C12 | H19 | 176.7° | 175.0° |
| N3 | C10 | C11 | N4 | 68.6° | 180.0° |
| H16 | N3 | C10 | C11 | 45.6° | 24.9° |
| H16 | N3 | C10 | C12 | 72.6° | 95.0° |
| H16 | N3 | C10 | H17 | 166.5° | 145.0° |
| C11 | C10 | C12 | H17 | 118.8° | 120.0° |
| C10 | C11 | O4 | N4 | 176.7° | 180.0° |
| C11 | C10 | C12 | C13 | 175.9° | 175.0° |
| C11 | C10 | C12 | H18 | 55.4° | 65.0° |
| C11 | C10 | C12 | H19 | 63.5° | 55.0° |
| C10 | C11 | N4 | C15 | 179.6° | 180.0° |
| C10 | C11 | N4 | H23 | 0.4° | 0.0° |
| C11 | C10 | N3 | C7 | 134.4° | 155.0° |
| C12 | C10 | C11 | O4 | 11.6° | 120.0° |
| C10 | C12 | C13 | H18 | 120.5° | 120.0° |
| C10 | C12 | C13 | H19 | 120.6° | 120.0° |
| C10 | C12 | H18 | H19 | 118.2° | 120.1° |
| C10 | C12 | C13 | C14 | 174.8° | 180.0° |
| C10 | C12 | C13 | H20 | 54.3° | 60.0° |
| C10 | C12 | C13 | H21 | 64.7° | 60.0° |
| C12 | C10 | C11 | N4 | 171.4° | 60.0° |
| C12 | C10 | N3 | C7 | 107.4° | 85.0° |
| H17 | C10 | C11 | O4 | 130.3° | 120.0° |
| H17 | C10 | C12 | C13 | 65.3° | 55.0° |
| H17 | C10 | C12 | H18 | 174.2° | 175.0° |
| H17 | C10 | C12 | H19 | 55.3° | 64.9° |
| H17 | C10 | C11 | N4 | 52.7° | 60.0° |
| H17 | C10 | N3 | C7 | 13.5° | 35.0° |
| O4 | C11 | N4 | C15 | 3.6° | 0.0° |
| O4 | C11 | N4 | H23 | 176.5° | 180.0° |
| C13 | C12 | H18 | H19 | 118.3° | 119.9° |
| C12 | C13 | C14 | H20 | 120.5° | 120.0° |
| C12 | C13 | C14 | H21 | 120.5° | 120.0° |
| C12 | C13 | H20 | H21 | 118.4° | 120.0° |
| C12 | C13 | C14 | O5 | 97.3° | 0.0° |
| C12 | C13 | C14 | O6 | 82.5° | 180.0° |
| H18 | C12 | C13 | C14 | 64.7° | 60.0° |
| H18 | C12 | C13 | H20 | 174.8° | 180.0° |
| H18 | C12 | C13 | H21 | 55.9° | 60.0° |
| H19 | C12 | C13 | C14 | 54.2° | 60.0° |
| H19 | C12 | C13 | H20 | 66.3° | 60.0° |
| H19 | C12 | C13 | H21 | 174.7° | 180.0° |
| C14 | C13 | H20 | H21 | 118.4° | 120.0° |
| C13 | C14 | O5 | O6 | 179.8° | 180.0° |
| C13 | C14 | O6 | H22 | 179.8° | 180.0° |
| H20 | C13 | C14 | O5 | 23.2° | 120.0° |
| H20 | C13 | C14 | O6 | 156.9° | 60.0° |
| H21 | C13 | C14 | O5 | 142.2° | 120.0° |
| H21 | C13 | C14 | O6 | 38.0° | 60.0° |
| O5 | C14 | O6 | H22 | 0.0° | 0.0° |
| C15 | N4 | H23 | C11 | 180.0° | 179.9° |
| N4 | C15 | C16 | C17 | 120.8° | 120.1° |
| N4 | C15 | C16 | H24 | 120.2° | 120.0° |
| N4 | C15 | C17 | H24 | 120.3° | 120.0° |
| N4 | C15 | C16 | H25 | 173.7° | 174.9° |
| N4 | C15 | C16 | H26 | 53.9° | 65.0° |
| N4 | C15 | C16 | N5 | 66.2° | 54.9° |
| N4 | C15 | C17 | C18 | 57.6° | 65.0° |
| N4 | C15 | C17 | H27 | 62.9° | 55.0° |
| N4 | C15 | C17 | H28 | 178.1° | 175.0° |
| H23 | N4 | C15 | C16 | 89.0° | 25.0° |
| H23 | N4 | C15 | C17 | 31.4° | 95.0° |
| H23 | N4 | C15 | H24 | 151.2° | 145.0° |
| C16 | C15 | C17 | H24 | 119.1° | 119.9° |
| C15 | C16 | H25 | H26 | 119.8° | 120.0° |
| C15 | C16 | H25 | N5 | 120.3° | 120.0° |
| C15 | C16 | H26 | N5 | 120.3° | 119.9° |
| C16 | C15 | C17 | C18 | 178.2° | 175.0° |
| C16 | C15 | C17 | H27 | 57.7° | 65.1° |
| C16 | C15 | C17 | H28 | 61.2° | 55.0° |
| C15 | C16 | N5 | C24 | 133.0° | 173.8° |
| C15 | C16 | N5 | H34 | 105.2° | 62.2° |
| C16 | C15 | N4 | C11 | 91.0° | 155.0° |
| C17 | C15 | C16 | H25 | 52.9° | 65.0° |
| C17 | C15 | C16 | H26 | 66.9° | 55.1° |
| C17 | C15 | C16 | N5 | 173.0° | 175.0° |
| C15 | C17 | C18 | H27 | 120.5° | 119.9° |
| C15 | C17 | C18 | H28 | 120.5° | 120.0° |
| C15 | C17 | H27 | H28 | 118.4° | 120.1° |
| C15 | C17 | C18 | C19 | 148.8° | 90.0° |
| C15 | C17 | C18 | C20 | 31.1° | 90.3° |
| C17 | C15 | N4 | C11 | 148.6° | 85.0° |
| H24 | C15 | C16 | H25 | 66.1° | 54.9° |
| H24 | C15 | C16 | H26 | 174.0° | 175.0° |
| H24 | C15 | C16 | N5 | 54.0° | 65.1° |
| H24 | C15 | C17 | C18 | 62.7° | 55.1° |
| H24 | C15 | C17 | H27 | 176.8° | 175.0° |
| H24 | C15 | C17 | H28 | 57.8° | 64.9° |
| H24 | C15 | N4 | C11 | 28.8° | 35.0° |
| H25 | C16 | H26 | N5 | 119.8° | 120.0° |
| H25 | C16 | N5 | C24 | 12.9° | 53.7° |
| H25 | C16 | N5 | H34 | 134.7° | 177.7° |
| H26 | C16 | N5 | C24 | 107.0° | 66.3° |
| H26 | C16 | N5 | H34 | 14.8° | 57.7° |
| C16 | N5 | C24 | H34 | 121.8° | 124.0° |
| C16 | N5 | C24 | C25 | 95.3° | 161.5° |
| C16 | N5 | C24 | C26 | 141.1° | 78.6° |
| C16 | N5 | C24 | H35 | 22.9° | 41.5° |
| C18 | C17 | H27 | H28 | 118.4° | 120.0° |
| C17 | C18 | C19 | C20 | 180.0° | 179.7° |
| C17 | C18 | C19 | C21 | 180.0° | 180.0° |
| C17 | C18 | C19 | H29 | 0.0° | 0.1° |
| C17 | C18 | C20 | C22 | 180.0° | 180.0° |
| C17 | C18 | C20 | H30 | 0.0° | 0.0° |
| H27 | C17 | C18 | C19 | 28.3° | 30.0° |
| H27 | C17 | C18 | C20 | 151.7° | 149.7° |
| H28 | C17 | C18 | C19 | 90.7° | 150.0° |
| H28 | C17 | C18 | C20 | 89.4° | 29.7° |
| C18 | C19 | C21 | H29 | 180.0° | 180.0° |
| C19 | C18 | C20 | C22 | 0.0° | 0.3° |
| C19 | C18 | C20 | H30 | 180.0° | 179.7° |
| C18 | C19 | C21 | C23 | 0.0° | 0.0° |
| C18 | C19 | C21 | H31 | 180.0° | 179.9° |
| C20 | C18 | C19 | C21 | 0.0° | 0.3° |
| C20 | C18 | C19 | H29 | 180.0° | 179.7° |
| C18 | C20 | C22 | H30 | 180.0° | 180.0° |
| C18 | C20 | C22 | C23 | 0.0° | 0.0° |
| C18 | C20 | C22 | H32 | 180.0° | 180.0° |
| C19 | C21 | C23 | H31 | 180.0° | 179.9° |
| C19 | C21 | C23 | C22 | 0.0° | 0.3° |
| C19 | C21 | C23 | H33 | 180.0° | 180.0° |
| H29 | C19 | C21 | C23 | 180.0° | 180.0° |
| H29 | C19 | C21 | H31 | 0.0° | 0.1° |
| C20 | C22 | C23 | C21 | 0.0° | 0.3° |
| C20 | C22 | C23 | H32 | 180.0° | 180.0° |
| C20 | C22 | C23 | H33 | 180.0° | 180.0° |
| H30 | C20 | C22 | C23 | 180.0° | 179.9° |
| H30 | C20 | C22 | H32 | 0.0° | 0.0° |
| C21 | C23 | C22 | H33 | 180.0° | 179.8° |
| C21 | C23 | C22 | H32 | 180.0° | 179.7° |
| H31 | C21 | C23 | C22 | 180.0° | 179.8° |
| H31 | C21 | C23 | H33 | 0.0° | 0.1° |
| H32 | C22 | C23 | H33 | 0.0° | 0.1° |
| N5 | C24 | C25 | C26 | 123.4° | 120.0° |
| N5 | C24 | C25 | H35 | 118.7° | 120.0° |
| N5 | C24 | C26 | H35 | 118.7° | 120.0° |
| N5 | C24 | C25 | O7 | 34.8° | 0.0° |
| N5 | C24 | C26 | C27 | 61.4° | 64.9° |
| N5 | C24 | C26 | H36 | 178.0° | 175.1° |
| N5 | C24 | C26 | H37 | 59.2° | 55.2° |
| N5 | C24 | C25 | N6 | 144.4° | 179.9° |
| H34 | N5 | C24 | C25 | 142.9° | 74.5° |
| H34 | N5 | C24 | C26 | 19.3° | 45.4° |
| H34 | N5 | C24 | H35 | 98.9° | 165.5° |
| C25 | C24 | C26 | H35 | 118.1° | 120.0° |
| C24 | C25 | O7 | N6 | 179.1° | 179.9° |
| C25 | C24 | C26 | C27 | 61.9° | 55.1° |
| C25 | C24 | C26 | H36 | 58.7° | 64.9° |
| C25 | C24 | C26 | H37 | 177.6° | 175.1° |
| C24 | C25 | N6 | C33 | 176.8° | 180.0° |
| C24 | C25 | N6 | H43 | 3.2° | 0.1° |
| C26 | C24 | C25 | O7 | 88.6° | 120.0° |
| C24 | C26 | C27 | H36 | 120.6° | 120.0° |
| C24 | C26 | C27 | H37 | 120.5° | 120.0° |
| C24 | C26 | H36 | H37 | 118.2° | 120.0° |
| C24 | C26 | C27 | C28 | 99.6° | 90.3° |
| C24 | C26 | C27 | C29 | 81.1° | 89.9° |
| C26 | C24 | C25 | N6 | 92.2° | 59.9° |
| H35 | C24 | C25 | O7 | 153.5° | 120.0° |
| H35 | C24 | C26 | C27 | 179.9° | 175.1° |
| H35 | C24 | C26 | H36 | 59.4° | 55.1° |
| H35 | C24 | C26 | H37 | 59.5° | 64.9° |
| H35 | C24 | C25 | N6 | 25.7° | 60.1° |
| O7 | C25 | N6 | C33 | 4.1° | 0.1° |
| O7 | C25 | N6 | H43 | 175.9° | 180.0° |
| C27 | C26 | H36 | H37 | 118.3° | 120.0° |
| C26 | C27 | C28 | C29 | 179.2° | 179.8° |
| C26 | C27 | C28 | C30 | 179.4° | 180.0° |
| C26 | C27 | C28 | H38 | 0.6° | 0.0° |
| C26 | C27 | C29 | C31 | 179.4° | 180.0° |
| C26 | C27 | C29 | H39 | 0.6° | 0.1° |
| H36 | C26 | C27 | C28 | 20.9° | 29.7° |
| H36 | C26 | C27 | C29 | 158.3° | 150.1° |
| H37 | C26 | C27 | C28 | 139.8° | 149.6° |
| H37 | C26 | C27 | C29 | 39.4° | 30.2° |
| C27 | C28 | C30 | H38 | 180.0° | 179.9° |
| C28 | C27 | C29 | C31 | 0.1° | 0.2° |
| C28 | C27 | C29 | H39 | 179.9° | 179.7° |
| C27 | C28 | C30 | C32 | 0.0° | 0.0° |
| C27 | C28 | C30 | H40 | 180.0° | 180.0° |
| C29 | C27 | C28 | C30 | 0.1° | 0.2° |
| C29 | C27 | C28 | H38 | 179.9° | 179.8° |
| C27 | C29 | C31 | H39 | 180.0° | 179.9° |
| C27 | C29 | C31 | C32 | 0.1° | 0.0° |
| C27 | C29 | C31 | H41 | 180.0° | 179.9° |
| C28 | C30 | C32 | H40 | 180.0° | 179.9° |
| C28 | C30 | C32 | C31 | 0.1° | 0.2° |
| C28 | C30 | C32 | H42 | 179.9° | 179.9° |
| H38 | C28 | C30 | C32 | 180.0° | 180.0° |
| H38 | C28 | C30 | H40 | 0.0° | 0.1° |
| C29 | C31 | C32 | C30 | 0.1° | 0.2° |
| C29 | C31 | C32 | H41 | 180.0° | 179.9° |
| C29 | C31 | C32 | H42 | 180.0° | 179.9° |
| H39 | C29 | C31 | C32 | 179.9° | 179.9° |
| H39 | C29 | C31 | H41 | 0.0° | 0.0° |
| C30 | C32 | C31 | H42 | 180.0° | 179.9° |
| C30 | C32 | C31 | H41 | 179.9° | 179.7° |
| H40 | C30 | C32 | C31 | 179.9° | 179.9° |
| H40 | C30 | C32 | H42 | 0.1° | 0.0° |
| H41 | C31 | C32 | H42 | 0.1° | 0.2° |
| C33 | N6 | H43 | C25 | 180.0° | 179.9° |
| N6 | C33 | C34 | C35 | 118.3° | 120.0° |
| N6 | C33 | C34 | H44 | 122.3° | 120.0° |
| N6 | C33 | C35 | H44 | 122.2° | 120.0° |
| N6 | C33 | C34 | O8 | 44.9° | 0.0° |
| N6 | C33 | C35 | C36 | 142.5° | 65.0° |
| N6 | C33 | C35 | H45 | 21.9° | 55.1° |
| N6 | C33 | C35 | H46 | 97.0° | 175.0° |
| N6 | C33 | C34 | N10 | 137.6° | 180.0° |
| H43 | N6 | C33 | C34 | 108.8° | 25.1° |
| H43 | N6 | C33 | C35 | 7.8° | 95.0° |
| H43 | N6 | C33 | H44 | 129.4° | 145.1° |
| C34 | C33 | C35 | H44 | 119.4° | 120.0° |
| C33 | C34 | O8 | N10 | 177.3° | 180.0° |
| C34 | C33 | C35 | C36 | 99.0° | 175.0° |
| C34 | C33 | C35 | H45 | 140.4° | 64.9° |
| C34 | C33 | C35 | H46 | 21.5° | 55.0° |
| C33 | C34 | N10 | C39 | 175.1° | 180.0° |
| C33 | C34 | N10 | H56 | 5.0° | 0.0° |
| C34 | C33 | N6 | C25 | 71.1° | 155.0° |
| C35 | C33 | C34 | O8 | 73.4° | 120.0° |
| C33 | C35 | C36 | H45 | 120.6° | 120.1° |
| C33 | C35 | C36 | H46 | 120.5° | 120.0° |
| C33 | C35 | H45 | H46 | 118.3° | 120.0° |
| C33 | C35 | C36 | C37 | 146.0° | 180.0° |
| C33 | C35 | C36 | H47 | 25.5° | 60.0° |
| C33 | C35 | C36 | H48 | 93.5° | 60.1° |
| C35 | C33 | N6 | C25 | 172.2° | 84.9° |
| C35 | C33 | C34 | N10 | 104.1° | 60.0° |
| H44 | C33 | C34 | O8 | 167.2° | 120.0° |
| H44 | C33 | C35 | C36 | 20.3° | 54.9° |
| H44 | C33 | C35 | H45 | 100.2° | 175.0° |
| H44 | C33 | C35 | H46 | 140.9° | 65.0° |
| H44 | C33 | N6 | C25 | 50.6° | 35.1° |
| H44 | C33 | C34 | N10 | 15.3° | 60.0° |
| O8 | C34 | N10 | C39 | 2.3° | 0.0° |
| O8 | C34 | N10 | H56 | 177.6° | 180.0° |
| C36 | C35 | H45 | H46 | 118.3° | 120.0° |
| C35 | C36 | C37 | H47 | 120.5° | 120.0° |
| C35 | C36 | C37 | H48 | 120.5° | 120.0° |
| C35 | C36 | H47 | H48 | 118.5° | 120.0° |
| C35 | C36 | C37 | N7 | 123.5° | 180.0° |
| C35 | C36 | C37 | H49 | 116.0° | 60.0° |
| C35 | C36 | C37 | H50 | 3.0° | 60.1° |
| H45 | C35 | C36 | C37 | 93.4° | 59.9° |
| H45 | C35 | C36 | H47 | 146.1° | 180.0° |
| H45 | C35 | C36 | H48 | 27.0° | 60.0° |
| H46 | C35 | C36 | C37 | 25.5° | 60.0° |
| H46 | C35 | C36 | H47 | 95.0° | 60.0° |
| H46 | C35 | C36 | H48 | 145.9° | 179.9° |
| C37 | C36 | H47 | H48 | 118.4° | 119.9° |
| C36 | C37 | N7 | H49 | 120.5° | 120.0° |
| C36 | C37 | N7 | H50 | 120.5° | 120.0° |
| C36 | C37 | H49 | H50 | 118.4° | 120.0° |
| C36 | C37 | N7 | C38 | 165.2° | 180.0° |
| C36 | C37 | N7 | H51 | 14.8° | 0.1° |
| H47 | C36 | C37 | N7 | 3.0° | 60.0° |
| H47 | C36 | C37 | H49 | 123.5° | 180.0° |
| H47 | C36 | C37 | H50 | 117.5° | 59.9° |
| H48 | C36 | C37 | N7 | 116.0° | 60.0° |
| H48 | C36 | C37 | H49 | 4.5° | 60.0° |
| H48 | C36 | C37 | H50 | 123.5° | 179.9° |
| N7 | C37 | H49 | H50 | 118.5° | 119.9° |
| C37 | N7 | C38 | H51 | 180.0° | 179.9° |
| C37 | N7 | C38 | N8 | 0.1° | 0.1° |
| C37 | N7 | C38 | N9 | 179.9° | 180.0° |
| H49 | C37 | N7 | C38 | 74.3° | 59.9° |
| H49 | C37 | N7 | H51 | 105.7° | 120.0° |
| H50 | C37 | N7 | C38 | 44.7° | 60.1° |
| H50 | C37 | N7 | H51 | 135.3° | 120.0° |
| N7 | C38 | N8 | N9 | 180.0° | 179.9° |
| N7 | C38 | N8 | H52 | 180.0° | 0.0° |
| N7 | C38 | N8 | H53 | 0.0° | 180.0° |
| N7 | C38 | N9 | H54 | 179.9° | 0.1° |
| N7 | C38 | N9 | H55 | 0.0° | 180.0° |
| H51 | N7 | C38 | N8 | 179.9° | 180.0° |
| H51 | N7 | C38 | N9 | 0.1° | 0.1° |
| C38 | N8 | H52 | H53 | 180.0° | 180.0° |
| N8 | C38 | N9 | H54 | 0.0° | 179.9° |
| N8 | C38 | N9 | H55 | 180.0° | 0.1° |
| N9 | C38 | N8 | H52 | 0.0° | 180.0° |
| N9 | C38 | N8 | H53 | 180.0° | 0.1° |
| C38 | N9 | H54 | H55 | 180.0° | 179.9° |
| C39 | N10 | H56 | C34 | 180.0° | 180.0° |
| N10 | C39 | C40 | C41 | 122.1° | 120.0° |
| N10 | C39 | C40 | H57 | 119.1° | 120.0° |
| N10 | C39 | C41 | H57 | 119.3° | 120.0° |
| N10 | C39 | C40 | O9 | 88.3° | 0.0° |
| N10 | C39 | C40 | O12 | 91.8° | 180.0° |
| N10 | C39 | C41 | C42 | 108.4° | 65.0° |
| N10 | C39 | C41 | H58 | 12.0° | 55.0° |
| N10 | C39 | C41 | H59 | 131.1° | 175.0° |
| H56 | N10 | C39 | C40 | 44.2° | 95.0° |
| H56 | N10 | C39 | C41 | 78.4° | 25.0° |
| H56 | N10 | C39 | H57 | 162.8° | 145.0° |
| C40 | C39 | C41 | H57 | 118.7° | 120.0° |
| C39 | C40 | O9 | O12 | 179.9° | 180.0° |
| C40 | C39 | C41 | C42 | 129.6° | 175.0° |
| C40 | C39 | C41 | H58 | 110.0° | 65.0° |
| C40 | C39 | C41 | H59 | 9.1° | 55.0° |
| C39 | C40 | O12 | H63 | 179.9° | 179.9° |
| C40 | C39 | N10 | C34 | 135.9° | 85.0° |
| C41 | C39 | C40 | O9 | 149.6° | 120.0° |
| C41 | C39 | C40 | O12 | 30.3° | 60.0° |
| C39 | C41 | C42 | H58 | 120.5° | 120.0° |
| C39 | C41 | C42 | H59 | 120.5° | 120.0° |
| C39 | C41 | H58 | H59 | 118.5° | 120.0° |
| C39 | C41 | C42 | C43 | 160.6° | 180.0° |
| C39 | C41 | C42 | H60 | 40.1° | 59.9° |
| C39 | C41 | C42 | H61 | 78.9° | 60.0° |
| C41 | C39 | N10 | C34 | 101.6° | 155.0° |
| H57 | C39 | C40 | O9 | 30.8° | 120.0° |
| H57 | C39 | C40 | O12 | 149.0° | 60.0° |
| H57 | C39 | C41 | C42 | 10.8° | 55.0° |
| H57 | C39 | C41 | H58 | 131.3° | 175.1° |
| H57 | C39 | C41 | H59 | 109.6° | 65.0° |
| H57 | C39 | N10 | C34 | 17.2° | 34.9° |
| O9 | C40 | O12 | H63 | 0.0° | 0.0° |
| C42 | C41 | H58 | H59 | 118.5° | 120.0° |
| C41 | C42 | C43 | H60 | 120.5° | 120.0° |
| C41 | C42 | C43 | H61 | 120.5° | 120.0° |
| C41 | C42 | H60 | H61 | 118.4° | 119.9° |
| C41 | C42 | C43 | O10 | 123.7° | 0.1° |
| C41 | C42 | C43 | O11 | 56.3° | 180.0° |
| H58 | C41 | C42 | C43 | 78.9° | 60.0° |
| H58 | C41 | C42 | H60 | 160.6° | 180.0° |
| H58 | C41 | C42 | H61 | 41.6° | 60.0° |
| H59 | C41 | C42 | C43 | 40.2° | 60.0° |
| H59 | C41 | C42 | H60 | 80.4° | 60.0° |
| H59 | C41 | C42 | H61 | 160.7° | 180.0° |
| C43 | C42 | H60 | H61 | 118.4° | 120.0° |
| C42 | C43 | O10 | O11 | 179.9° | 179.9° |
| C42 | C43 | O11 | H62 | 180.0° | 179.9° |
| H60 | C42 | C43 | O10 | 3.2° | 120.0° |
| H60 | C42 | C43 | O11 | 176.8° | 59.9° |
| H61 | C42 | C43 | O10 | 115.7° | 120.0° |
| H61 | C42 | C43 | O11 | 64.2° | 60.1° |
| O10 | C43 | O11 | H62 | 0.0° | 0.0° |
