PRD_002449
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | C4 | doub | 1.21Å | 1.26Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C3 | C5 | sing | 1.53Å | 1.53Å | |
| N2 | C7 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | C8 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C10 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.36Å | Aromatic |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | O4 | doub | 1.21Å | 1.25Å | |
| C14 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H16 | sing | 0.97Å | 0.95Å | |
| C15 | O6 | doub | 1.21Å | 1.25Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| H17 | C16 | sing | 1.09Å | 1.10Å | |
| H18 | C16 | sing | 1.09Å | 1.10Å | |
| H20 | N4 | sing | 0.97Å | 1.00Å | |
| H22 | C18 | sing | 1.09Å | 1.10Å | |
| H23 | C19 | sing | 1.09Å | 1.10Å | |
| H24 | C20 | sing | 1.09Å | 1.10Å | |
| H25 | C20 | sing | 1.09Å | 1.10Å | |
| H28 | C21 | sing | 1.09Å | 1.10Å | |
| N5 | C22 | sing | 1.46Å | 1.46Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| O8 | C32 | doub | 1.21Å | 1.19Å | |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C33 | C31 | sing | 1.53Å | 1.53Å | |
| C32 | C35 | sing | 1.51Å | 1.52Å | |
| C32 | C31 | sing | 1.51Å | 1.52Å | |
| O9 | C34 | doub | 1.21Å | 1.25Å | |
| C34 | O10 | sing | 1.34Å | 1.26Å | |
| C31 | N6 | sing | 1.46Å | 1.45Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| O10 | H43 | sing | 0.97Å | 0.95Å | |
| C35 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | O11 | sing | 1.45Å | 73.67Å | |
| O11 | C36 | sing | 1.35Å | 0.00Å | |
| C36 | O12 | doub | 1.21Å | 0.00Å | |
| C36 | C37 | sing | 1.48Å | 0.00Å | |
| C37 | C38 | sing | 1.40Å | 0.00Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 0.00Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 0.00Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 0.00Å | Aromatic |
| C41 | C42 | sing | 1.38Å | 0.00Å | Aromatic |
| C42 | C37 | doub | 1.40Å | 0.00Å | Aromatic |
| C39 | H46 | sing | 1.08Å | 0.00Å | |
| C40 | H47 | sing | 1.08Å | 0.00Å | |
| C41 | H48 | sing | 1.08Å | 0.00Å | |
| C42 | C43 | sing | 1.51Å | 0.00Å | |
| C38 | C44 | sing | 1.51Å | 0.00Å | |
| C43 | H49 | sing | 1.09Å | 0.00Å | |
| C43 | H50 | sing | 1.09Å | 0.00Å | |
| C43 | H51 | sing | 1.09Å | 0.00Å | |
| C44 | H52 | sing | 1.09Å | 0.00Å | |
| C44 | H53 | sing | 1.09Å | 0.00Å | |
| C44 | H54 | sing | 1.09Å | 0.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C12 | N4 | sing | 1.35Å | 1.23Å | |
| C15 | N5 | sing | 1.35Å | 1.29Å | |
| C23 | N6 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 123.1° | 120.0° |
| O1 | C1 | N1 | 115.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 121.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| O2 | C4 | C3 | 119.6° | 119.9° |
| O2 | C4 | N3 | 123.4° | 120.0° |
| C4 | C3 | N1 | 112.0° | 109.5° |
| C4 | C3 | C5 | 107.4° | 109.5° |
| C4 | C3 | H5 | 108.3° | 109.4° |
| C3 | C4 | N3 | 116.9° | 120.0° |
| N1 | C3 | C5 | 111.4° | 109.5° |
| C3 | N1 | H4 | 110.6° | 120.0° |
| N1 | C3 | H5 | 109.3° | 109.5° |
| C3 | N1 | C1 | 138.9° | 120.0° |
| C3 | C5 | C6 | 112.9° | 109.5° |
| C5 | C3 | H5 | 108.3° | 109.5° |
| C3 | C5 | H6 | 108.6° | 109.5° |
| C3 | C5 | H7 | 108.6° | 109.4° |
| C7 | N2 | C8 | 120.1° | 121.7° |
| N2 | C7 | C6 | 119.9° | 120.7° |
| N2 | C7 | H8 | 120.1° | 119.6° |
| N2 | C8 | C9 | 120.0° | 120.8° |
| N2 | C8 | H9 | 120.0° | 119.6° |
| C7 | C6 | C5 | 120.1° | 120.4° |
| C7 | C6 | C10 | 120.1° | 119.2° |
| C6 | C7 | H8 | 120.0° | 119.7° |
| C8 | C9 | C10 | 120.0° | 119.1° |
| C9 | C8 | H9 | 120.0° | 119.6° |
| C8 | C9 | H10 | 120.0° | 120.4° |
| C5 | C6 | C10 | 119.7° | 120.4° |
| C6 | C5 | H6 | 108.6° | 109.5° |
| C6 | C5 | H7 | 108.6° | 109.5° |
| C6 | C10 | C9 | 119.8° | 118.4° |
| C6 | C10 | H11 | 120.1° | 120.8° |
| C10 | C9 | H10 | 120.0° | 120.4° |
| C9 | C10 | H11 | 120.1° | 120.8° |
| H4 | N1 | C1 | 110.6° | 120.0° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| C11 | N3 | H12 | 119.1° | 120.0° |
| N3 | C11 | C12 | 111.2° | 109.5° |
| N3 | C11 | C13 | 110.5° | 109.5° |
| N3 | C11 | H13 | 108.9° | 109.5° |
| C11 | N3 | C4 | 121.7° | 120.0° |
| H12 | N3 | C4 | 119.1° | 120.0° |
| C12 | C11 | C13 | 110.1° | 109.5° |
| C12 | C11 | H13 | 108.0° | 109.4° |
| C11 | C12 | O3 | 120.8° | 120.0° |
| C11 | C12 | N4 | 126.0° | 120.0° |
| C13 | C11 | H13 | 108.0° | 109.5° |
| C11 | C13 | C14 | 112.6° | 109.4° |
| C11 | C13 | H14 | 108.7° | 109.5° |
| C11 | C13 | H15 | 108.7° | 109.5° |
| O3 | C12 | N4 | 112.7° | 120.1° |
| C14 | C13 | H14 | 108.7° | 109.5° |
| C14 | C13 | H15 | 108.7° | 109.5° |
| C13 | C14 | O4 | 118.5° | 120.0° |
| C13 | C14 | O5 | 118.5° | 120.0° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| O4 | C14 | O5 | 123.0° | 120.0° |
| C14 | O5 | H16 | 109.5° | 116.9° |
| O6 | C15 | C16 | 118.5° | 120.0° |
| O6 | C15 | N5 | 144.1° | 120.0° |
| C15 | C16 | C17 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C16 | C15 | N5 | 94.0° | 120.0° |
| C16 | C17 | H19 | 109.1° | 109.5° |
| C16 | C17 | N4 | 109.5° | 109.5° |
| C16 | C17 | C18 | 109.5° | 109.5° |
| C17 | C16 | H17 | 109.5° | 109.5° |
| C17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | N4 | 110.1° | 109.5° |
| H19 | C17 | C18 | 109.1° | 109.4° |
| N4 | C17 | C18 | 109.5° | 109.5° |
| C17 | N4 | H20 | 116.8° | 120.0° |
| C17 | N4 | C12 | 126.3° | 120.0° |
| C17 | C18 | H21 | 109.1° | 109.4° |
| C17 | C18 | C19 | 111.0° | 109.5° |
| C17 | C18 | H22 | 109.1° | 109.5° |
| H21 | C18 | C19 | 109.1° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| C18 | C19 | C21 | 111.0° | 109.5° |
| C18 | C19 | C20 | 111.0° | 109.4° |
| C19 | C18 | H22 | 109.1° | 109.5° |
| C18 | C19 | H23 | 107.9° | 109.5° |
| C21 | C19 | C20 | 111.0° | 109.5° |
| C19 | C21 | H29 | 109.5° | 109.5° |
| C19 | C21 | H27 | 109.5° | 109.4° |
| C21 | C19 | H23 | 107.9° | 109.5° |
| C19 | C21 | H28 | 109.5° | 109.5° |
| C19 | C20 | H26 | 109.5° | 109.5° |
| C20 | C19 | H23 | 107.9° | 109.4° |
| C19 | C20 | H24 | 109.5° | 109.4° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| H26 | C20 | H24 | 109.5° | 109.4° |
| H26 | C20 | H25 | 109.4° | 109.5° |
| H29 | C21 | H27 | 109.5° | 109.5° |
| H29 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H20 | N4 | C12 | 116.8° | 120.0° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| C22 | N5 | H30 | 124.4° | 120.0° |
| N5 | C22 | C23 | 111.2° | 109.5° |
| N5 | C22 | C24 | 110.5° | 109.5° |
| N5 | C22 | H31 | 108.9° | 109.5° |
| C22 | N5 | C15 | 111.2° | 120.0° |
| H30 | N5 | C15 | 124.4° | 119.9° |
| C23 | C22 | C24 | 110.1° | 109.5° |
| C23 | C22 | H31 | 108.0° | 109.5° |
| C22 | C23 | O7 | 120.8° | 120.0° |
| C22 | C23 | N6 | 116.2° | 120.0° |
| C24 | C22 | H31 | 108.0° | 109.5° |
| C22 | C24 | C25 | 113.8° | 109.5° |
| C22 | C24 | H32 | 108.4° | 109.5° |
| C22 | C24 | H33 | 108.4° | 109.4° |
| O7 | C23 | N6 | 123.0° | 120.0° |
| C25 | C24 | H32 | 108.4° | 109.5° |
| C25 | C24 | H33 | 108.4° | 109.5° |
| C24 | C25 | C26 | 120.6° | 120.0° |
| C24 | C25 | C27 | 120.7° | 120.1° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| C26 | C25 | C27 | 118.7° | 120.0° |
| C25 | C26 | C28 | 120.8° | 120.0° |
| C25 | C26 | H34 | 119.6° | 120.0° |
| C25 | C27 | C29 | 120.8° | 120.0° |
| C25 | C27 | H35 | 119.6° | 119.9° |
| C28 | C26 | H34 | 119.6° | 120.0° |
| C26 | C28 | C30 | 119.9° | 120.0° |
| C26 | C28 | H36 | 120.0° | 120.0° |
| C29 | C27 | H35 | 119.6° | 120.0° |
| C27 | C29 | C30 | 119.9° | 120.0° |
| C27 | C29 | H37 | 120.1° | 120.0° |
| C30 | C28 | H36 | 120.0° | 120.0° |
| C28 | C30 | C29 | 119.9° | 120.0° |
| C28 | C30 | H38 | 120.1° | 120.0° |
| C30 | C29 | H37 | 120.0° | 120.0° |
| C29 | C30 | H38 | 120.1° | 120.0° |
| O8 | C32 | C35 | 120.2° | 120.0° |
| O8 | C32 | C31 | 121.4° | 120.0° |
| C34 | C33 | C31 | 109.5° | 109.5° |
| C33 | C34 | O9 | 119.6° | 120.0° |
| C33 | C34 | O10 | 120.6° | 120.0° |
| C34 | C33 | H41 | 109.4° | 109.4° |
| C34 | C33 | H42 | 109.5° | 109.5° |
| C33 | C31 | C32 | 109.1° | 109.5° |
| C33 | C31 | N6 | 109.4° | 109.5° |
| C33 | C31 | H40 | 108.6° | 109.5° |
| C31 | C33 | H41 | 109.5° | 109.5° |
| C31 | C33 | H42 | 109.4° | 109.5° |
| C35 | C32 | C31 | 118.3° | 120.0° |
| C32 | C35 | H44 | 116.5° | 109.5° |
| C32 | C35 | H45 | 116.5° | 109.5° |
| C32 | C35 | O11 | 79.0° | 109.5° |
| C32 | C31 | N6 | 111.4° | 109.4° |
| C32 | C31 | H40 | 108.7° | 109.5° |
| O9 | C34 | O10 | 119.8° | 120.0° |
| C34 | O10 | H43 | 109.5° | 117.0° |
| C31 | N6 | H39 | 119.2° | 120.1° |
| N6 | C31 | H40 | 109.7° | 109.4° |
| C31 | N6 | C23 | 121.7° | 120.0° |
| H39 | N6 | C23 | 119.1° | 119.9° |
| H41 | C33 | H42 | 109.5° | 109.4° |
| H44 | C35 | H45 | 109.4° | 109.5° |
| H44 | C35 | O11 | 116.5° | 109.4° |
| H45 | C35 | O11 | 116.5° | 109.4° |
| C35 | O11 | C36 | 90.0° | 117.0° |
| O11 | C36 | O12 | 90.0° | 120.0° |
| O11 | C36 | C37 | 90.0° | 120.0° |
| O12 | C36 | C37 | 90.0° | 120.0° |
| C36 | C37 | C38 | 90.0° | 120.1° |
| C36 | C37 | C42 | 90.0° | 120.2° |
| C37 | C38 | C39 | 90.0° | 119.9° |
| C38 | C37 | C42 | 90.0° | 119.7° |
| C37 | C38 | C44 | 90.0° | 120.1° |
| C38 | C39 | C40 | 90.0° | 120.1° |
| C38 | C39 | H46 | 90.0° | 119.9° |
| C39 | C38 | C44 | 90.0° | 120.1° |
| C39 | C40 | C41 | 90.0° | 120.3° |
| C40 | C39 | H46 | 90.0° | 119.9° |
| C39 | C40 | H47 | 90.0° | 119.9° |
| C40 | C41 | C42 | 90.0° | 120.2° |
| C41 | C40 | H47 | 90.0° | 119.9° |
| C40 | C41 | H48 | 90.0° | 119.9° |
| C41 | C42 | C37 | 90.0° | 119.8° |
| C42 | C41 | H48 | 90.0° | 119.9° |
| C41 | C42 | C43 | 90.0° | 120.1° |
| C37 | C42 | C43 | 90.0° | 120.1° |
| C42 | C43 | H49 | 90.0° | 109.5° |
| C42 | C43 | H50 | 90.0° | 109.5° |
| C42 | C43 | H51 | 90.0° | 109.5° |
| C38 | C44 | H52 | 90.0° | 109.5° |
| C38 | C44 | H53 | 90.0° | 109.5° |
| C38 | C44 | H54 | 90.0° | 109.5° |
| H49 | C43 | H50 | 90.0° | 109.5° |
| H49 | C43 | H51 | 90.0° | 109.5° |
| H50 | C43 | H51 | 90.0° | 109.5° |
| H52 | C44 | H53 | 90.0° | 109.5° |
| H52 | C44 | H54 | 90.0° | 109.4° |
| H53 | C44 | H54 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 176.7° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.1° |
| O1 | C1 | N1 | C3 | 21.3° | 0.0° |
| O1 | C1 | N1 | H4 | 158.8° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 119.9° |
| C2 | C1 | N1 | C3 | 155.7° | 179.7° |
| C2 | C1 | N1 | H4 | 24.3° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 176.7° | 179.7° |
| H2 | C2 | C1 | N1 | 63.3° | 59.7° |
| H3 | C2 | C1 | N1 | 56.7° | 60.3° |
| O2 | C4 | C3 | N3 | 180.0° | 180.0° |
| O2 | C4 | C3 | N1 | 48.5° | 20.0° |
| O2 | C4 | C3 | C5 | 74.1° | 100.0° |
| O2 | C4 | C3 | H5 | 169.1° | 140.0° |
| O2 | C4 | N3 | C11 | 11.3° | 4.7° |
| O2 | C4 | N3 | H12 | 168.7° | 175.3° |
| C4 | C3 | N1 | C5 | 120.2° | 120.0° |
| C4 | C3 | N1 | H5 | 120.1° | 120.0° |
| C4 | C3 | C5 | H5 | 116.8° | 119.9° |
| C4 | C3 | C5 | C6 | 167.6° | 175.0° |
| C4 | C3 | N1 | H4 | 32.6° | 120.0° |
| C4 | C3 | C5 | H6 | 71.9° | 65.0° |
| C4 | C3 | C5 | H7 | 47.0° | 54.9° |
| C3 | C4 | N3 | C11 | 168.7° | 175.3° |
| C3 | C4 | N3 | H12 | 11.2° | 4.7° |
| C4 | C3 | N1 | C1 | 147.4° | 60.0° |
| N1 | C3 | C5 | H5 | 120.3° | 120.0° |
| N1 | C3 | C5 | C6 | 69.5° | 65.0° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C5 | H6 | 51.0° | 55.0° |
| N1 | C3 | C5 | H7 | 169.9° | 175.0° |
| N1 | C3 | C4 | N3 | 131.5° | 160.0° |
| C3 | C5 | C6 | C7 | 75.8° | 89.7° |
| C3 | C5 | C6 | H6 | 120.5° | 120.0° |
| C3 | C5 | C6 | H7 | 120.5° | 120.0° |
| C3 | C5 | C6 | C10 | 105.1° | 90.0° |
| C5 | C3 | N1 | H4 | 87.6° | 120.0° |
| C3 | C5 | H6 | H7 | 118.4° | 120.0° |
| C5 | C3 | N1 | C1 | 92.3° | 60.0° |
| C5 | C3 | C4 | N3 | 105.9° | 80.0° |
| N2 | C7 | C6 | H8 | 180.0° | 179.9° |
| C7 | N2 | C8 | C9 | 0.2° | 0.1° |
| N2 | C7 | C6 | C5 | 179.7° | 180.0° |
| N2 | C7 | C6 | C10 | 0.6° | 0.3° |
| C7 | N2 | C8 | H9 | 179.8° | 179.9° |
| C8 | N2 | C7 | C6 | 0.5° | 0.0° |
| N2 | C8 | C9 | H9 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | N2 | C7 | H8 | 179.5° | 179.9° |
| N2 | C8 | C9 | H10 | 179.9° | 180.0° |
| C7 | C6 | C5 | C10 | 179.0° | 179.7° |
| C7 | C6 | C10 | C9 | 0.5° | 0.5° |
| C7 | C6 | C5 | H6 | 163.7° | 150.3° |
| C7 | C6 | C5 | H7 | 44.7° | 30.3° |
| C7 | C6 | C10 | H11 | 179.5° | 179.7° |
| C8 | C9 | C10 | C6 | 0.3° | 0.4° |
| C8 | C9 | C10 | H10 | 180.0° | 179.9° |
| C8 | C9 | C10 | H11 | 179.7° | 179.7° |
| C5 | C6 | C10 | C9 | 179.5° | 179.8° |
| C6 | C5 | C3 | H5 | 50.8° | 55.0° |
| C6 | C5 | H6 | H7 | 118.4° | 120.0° |
| C5 | C6 | C7 | H8 | 0.4° | 0.1° |
| C5 | C6 | C10 | H11 | 0.4° | 0.0° |
| C6 | C10 | C9 | H11 | 180.0° | 179.8° |
| C10 | C6 | C5 | H6 | 15.4° | 30.1° |
| C10 | C6 | C5 | H7 | 134.3° | 150.0° |
| C10 | C6 | C7 | H8 | 179.4° | 179.8° |
| C6 | C10 | C9 | H10 | 179.8° | 179.7° |
| C10 | C9 | C8 | H9 | 179.9° | 179.7° |
| H4 | N1 | C3 | H5 | 152.6° | 0.0° |
| H5 | C3 | C5 | H6 | 171.3° | 175.0° |
| H5 | C3 | C5 | H7 | 69.8° | 65.0° |
| H5 | C3 | N1 | C1 | 27.4° | 180.0° |
| H5 | C3 | C4 | N3 | 10.9° | 40.0° |
| H9 | C8 | C9 | H10 | 0.1° | 0.1° |
| H10 | C9 | C10 | H11 | 0.3° | 0.1° |
| C11 | N3 | H12 | C4 | 180.0° | 180.0° |
| N3 | C11 | C12 | C13 | 122.8° | 120.0° |
| N3 | C11 | C12 | H13 | 119.5° | 120.0° |
| N3 | C11 | C13 | H13 | 119.0° | 120.0° |
| N3 | C11 | C12 | O3 | 11.9° | 0.0° |
| N3 | C11 | C13 | C14 | 60.0° | 65.6° |
| N3 | C11 | C13 | H14 | 60.5° | 54.4° |
| N3 | C11 | C13 | H15 | 179.6° | 174.4° |
| N3 | C11 | C12 | N4 | 158.8° | 179.9° |
| H12 | N3 | C11 | C12 | 104.4° | 98.2° |
| H12 | N3 | C11 | C13 | 18.1° | 21.8° |
| H12 | N3 | C11 | H13 | 136.6° | 141.9° |
| C12 | C11 | C13 | H13 | 117.7° | 120.0° |
| C11 | C12 | O3 | N4 | 171.9° | 179.9° |
| C12 | C11 | C13 | C14 | 176.8° | 174.4° |
| C12 | C11 | C13 | H14 | 62.7° | 65.6° |
| C12 | C11 | C13 | H15 | 56.4° | 54.4° |
| C11 | C12 | N4 | C17 | 158.7° | 180.0° |
| C11 | C12 | N4 | H20 | 21.3° | 0.1° |
| C12 | C11 | N3 | C4 | 75.5° | 81.8° |
| C13 | C11 | C12 | O3 | 110.9° | 120.0° |
| C11 | C13 | C14 | H14 | 120.4° | 120.0° |
| C11 | C13 | C14 | H15 | 120.5° | 120.0° |
| C11 | C13 | H14 | H15 | 118.6° | 120.1° |
| C11 | C13 | C14 | O4 | 36.4° | 5.6° |
| C11 | C13 | C14 | O5 | 143.6° | 174.5° |
| C13 | C11 | N3 | C4 | 161.9° | 158.2° |
| C13 | C11 | C12 | N4 | 78.3° | 59.9° |
| H13 | C11 | C12 | O3 | 131.4° | 120.0° |
| H13 | C11 | C13 | C14 | 59.1° | 54.4° |
| H13 | C11 | C13 | H14 | 179.5° | 174.4° |
| H13 | C11 | C13 | H15 | 61.4° | 65.6° |
| H13 | C11 | N3 | C4 | 43.4° | 38.2° |
| H13 | C11 | C12 | N4 | 39.4° | 60.1° |
| O3 | C12 | N4 | C17 | 12.7° | 0.1° |
| O3 | C12 | N4 | H20 | 167.3° | 180.0° |
| C14 | C13 | H14 | H15 | 118.6° | 120.0° |
| C13 | C14 | O4 | O5 | 179.9° | 180.0° |
| C13 | C14 | O5 | H16 | 179.9° | 180.0° |
| H14 | C13 | C14 | O4 | 156.9° | 125.6° |
| H14 | C13 | C14 | O5 | 23.2° | 54.5° |
| H15 | C13 | C14 | O4 | 84.1° | 114.5° |
| H15 | C13 | C14 | O5 | 95.9° | 65.5° |
| O4 | C14 | O5 | H16 | 0.0° | 0.1° |
| O6 | C15 | C16 | N5 | 164.2° | 180.0° |
| O6 | C15 | C16 | C17 | 44.4° | 0.0° |
| O6 | C15 | C16 | H17 | 164.3° | 120.0° |
| O6 | C15 | C16 | H18 | 75.6° | 120.0° |
| O6 | C15 | N5 | C22 | 11.2° | 0.0° |
| O6 | C15 | N5 | H30 | 168.9° | 180.0° |
| C15 | C16 | C17 | H17 | 120.0° | 120.1° |
| C15 | C16 | C17 | H18 | 120.0° | 120.0° |
| C15 | C16 | C17 | H19 | 179.5° | 55.0° |
| C15 | C16 | C17 | N4 | 58.9° | 65.0° |
| C15 | C16 | C17 | C18 | 61.2° | 175.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C16 | C15 | N5 | C22 | 167.0° | 180.0° |
| C16 | C15 | N5 | H30 | 13.0° | 0.0° |
| C16 | C17 | H19 | N4 | 120.2° | 120.0° |
| C16 | C17 | H19 | C18 | 119.6° | 120.0° |
| C16 | C17 | N4 | C18 | 120.1° | 120.0° |
| C16 | C17 | C18 | H21 | 85.1° | 65.0° |
| C16 | C17 | C18 | C19 | 154.7° | 175.0° |
| C17 | C16 | H17 | H18 | 120.0° | 120.0° |
| C16 | C17 | N4 | H20 | 30.8° | 25.0° |
| C16 | C17 | C18 | H22 | 34.4° | 55.0° |
| C16 | C17 | N4 | C12 | 149.2° | 155.0° |
| C17 | C16 | C15 | N5 | 151.5° | 180.0° |
| H19 | C17 | N4 | C18 | 119.9° | 120.0° |
| H19 | C17 | C18 | H21 | 155.5° | 175.0° |
| H19 | C17 | C18 | C19 | 35.3° | 55.0° |
| H19 | C17 | C16 | H17 | 60.6° | 175.1° |
| H19 | C17 | C16 | H18 | 59.5° | 65.0° |
| H19 | C17 | N4 | H20 | 150.8° | 145.0° |
| H19 | C17 | C18 | H22 | 85.0° | 65.0° |
| H19 | C17 | N4 | C12 | 29.2° | 35.0° |
| N4 | C17 | C18 | H21 | 35.0° | 55.0° |
| N4 | C17 | C18 | C19 | 85.3° | 65.0° |
| N4 | C17 | C16 | H17 | 178.9° | 55.1° |
| N4 | C17 | C16 | H18 | 61.1° | 175.0° |
| C17 | N4 | H20 | C12 | 180.0° | 179.9° |
| N4 | C17 | C18 | H22 | 154.5° | 175.0° |
| C17 | C18 | H21 | C19 | 121.4° | 119.9° |
| C17 | C18 | H21 | H22 | 119.3° | 120.0° |
| C17 | C18 | C19 | H22 | 120.3° | 120.0° |
| C17 | C18 | C19 | C21 | 61.8° | 65.1° |
| C17 | C18 | C19 | C20 | 174.2° | 175.0° |
| C18 | C17 | C16 | H17 | 58.8° | 65.0° |
| C18 | C17 | C16 | H18 | 178.8° | 55.0° |
| C18 | C17 | N4 | H20 | 89.3° | 95.0° |
| C17 | C18 | C19 | H23 | 56.2° | 55.0° |
| C18 | C17 | N4 | C12 | 90.7° | 84.9° |
| H21 | C18 | C19 | H22 | 119.5° | 120.0° |
| H21 | C18 | C19 | C21 | 178.0° | 175.0° |
| H21 | C18 | C19 | C20 | 54.0° | 55.0° |
| H21 | C18 | C19 | H23 | 64.0° | 64.9° |
| C18 | C19 | C21 | C20 | 124.0° | 120.0° |
| C18 | C19 | C21 | H23 | 118.0° | 120.1° |
| C18 | C19 | C20 | H23 | 118.0° | 120.0° |
| C18 | C19 | C20 | H26 | 180.0° | 60.0° |
| C18 | C19 | C21 | H29 | 180.0° | 59.9° |
| C18 | C19 | C21 | H27 | 60.0° | 60.0° |
| C18 | C19 | C20 | H24 | 60.0° | 180.0° |
| C18 | C19 | C20 | H25 | 60.0° | 60.0° |
| C18 | C19 | C21 | H28 | 60.0° | 180.0° |
| C21 | C19 | C20 | H23 | 118.0° | 120.0° |
| C21 | C19 | C20 | H26 | 56.0° | 60.0° |
| C19 | C21 | H29 | H27 | 120.0° | 119.9° |
| C19 | C21 | H29 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C21 | C19 | C18 | H22 | 58.5° | 55.0° |
| C21 | C19 | C20 | H24 | 176.0° | 60.0° |
| C21 | C19 | C20 | H25 | 64.0° | 180.0° |
| C19 | C20 | H26 | H24 | 120.0° | 119.9° |
| C19 | C20 | H26 | H25 | 120.0° | 120.0° |
| C20 | C19 | C21 | H29 | 56.0° | 60.0° |
| C20 | C19 | C21 | H27 | 64.0° | 180.0° |
| C20 | C19 | C18 | H22 | 65.5° | 65.0° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C20 | C19 | C21 | H28 | 176.0° | 60.0° |
| H26 | C20 | C19 | H23 | 62.0° | 180.0° |
| H26 | C20 | H24 | H25 | 120.0° | 120.0° |
| H29 | C21 | H27 | H28 | 120.0° | 120.1° |
| H29 | C21 | C19 | H23 | 62.0° | 180.0° |
| H27 | C21 | C19 | H23 | 178.0° | 60.1° |
| H17 | C16 | C15 | N5 | 31.5° | 60.0° |
| H18 | C16 | C15 | N5 | 88.5° | 60.0° |
| H22 | C18 | C19 | H23 | 176.5° | 175.1° |
| H23 | C19 | C20 | H24 | 58.1° | 60.0° |
| H23 | C19 | C20 | H25 | 178.0° | 60.0° |
| H23 | C19 | C21 | H28 | 58.0° | 59.9° |
| C22 | N5 | H30 | C15 | 180.0° | 179.9° |
| N5 | C22 | C23 | C24 | 122.9° | 120.0° |
| N5 | C22 | C23 | H31 | 119.5° | 120.0° |
| N5 | C22 | C24 | H31 | 119.0° | 120.0° |
| N5 | C22 | C23 | O7 | 1.0° | 0.0° |
| N5 | C22 | C24 | C25 | 38.5° | 65.0° |
| N5 | C22 | C24 | H32 | 159.2° | 55.1° |
| N5 | C22 | C24 | H33 | 82.1° | 175.0° |
| N5 | C22 | C23 | N6 | 179.1° | 180.0° |
| H30 | N5 | C22 | C23 | 41.6° | 24.9° |
| H30 | N5 | C22 | C24 | 81.0° | 95.1° |
| H30 | N5 | C22 | H31 | 160.5° | 145.0° |
| C23 | C22 | C24 | H31 | 117.7° | 120.0° |
| C22 | C23 | O7 | N6 | 179.9° | 180.0° |
| C23 | C22 | C24 | C25 | 84.8° | 175.0° |
| C23 | C22 | C24 | H32 | 35.9° | 65.0° |
| C23 | C22 | C24 | H33 | 154.6° | 54.9° |
| C22 | C23 | N6 | C31 | 169.1° | 174.9° |
| C22 | C23 | N6 | H39 | 10.9° | 5.1° |
| C23 | C22 | N5 | C15 | 138.4° | 155.0° |
| C24 | C22 | C23 | O7 | 121.9° | 120.0° |
| C22 | C24 | C25 | H32 | 120.6° | 120.0° |
| C22 | C24 | C25 | H33 | 120.6° | 120.0° |
| C22 | C24 | H32 | H33 | 118.0° | 119.9° |
| C22 | C24 | C25 | C26 | 67.1° | 90.0° |
| C22 | C24 | C25 | C27 | 112.8° | 90.3° |
| C24 | C22 | N5 | C15 | 99.0° | 85.0° |
| C24 | C22 | C23 | N6 | 58.1° | 60.0° |
| H31 | C22 | C23 | O7 | 120.5° | 120.0° |
| H31 | C22 | C24 | C25 | 157.5° | 55.0° |
| H31 | C22 | C24 | H32 | 81.8° | 175.1° |
| H31 | C22 | C24 | H33 | 36.9° | 65.0° |
| H31 | C22 | N5 | C15 | 19.4° | 35.0° |
| H31 | C22 | C23 | N6 | 59.6° | 60.0° |
| O7 | C23 | N6 | C31 | 10.9° | 5.1° |
| O7 | C23 | N6 | H39 | 169.1° | 174.9° |
| C25 | C24 | H32 | H33 | 118.1° | 120.1° |
| C24 | C25 | C26 | C27 | 180.0° | 179.7° |
| C24 | C25 | C26 | C28 | 180.0° | 180.0° |
| C24 | C25 | C26 | H34 | 0.0° | 0.1° |
| C24 | C25 | C27 | C29 | 180.0° | 180.0° |
| C24 | C25 | C27 | H35 | 0.0° | 0.0° |
| H32 | C24 | C25 | C26 | 53.5° | 30.0° |
| H32 | C24 | C25 | C27 | 126.5° | 149.7° |
| H33 | C24 | C25 | C26 | 172.2° | 150.0° |
| H33 | C24 | C25 | C27 | 7.8° | 29.7° |
| C25 | C26 | C28 | H34 | 180.0° | 180.0° |
| C26 | C25 | C27 | C29 | 0.0° | 0.3° |
| C26 | C25 | C27 | H35 | 180.0° | 179.7° |
| C25 | C26 | C28 | C30 | 0.0° | 0.1° |
| C25 | C26 | C28 | H36 | 180.0° | 179.9° |
| C27 | C25 | C26 | C28 | 0.0° | 0.3° |
| C27 | C25 | C26 | H34 | 180.0° | 179.7° |
| C25 | C27 | C29 | H35 | 180.0° | 180.0° |
| C25 | C27 | C29 | C30 | 0.0° | 0.1° |
| C25 | C27 | C29 | H37 | 179.9° | 180.0° |
| C26 | C28 | C30 | H36 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 0.0° | 0.2° |
| C26 | C28 | C30 | H38 | 180.0° | 180.0° |
| H34 | C26 | C28 | C30 | 180.0° | 180.0° |
| H34 | C26 | C28 | H36 | 0.0° | 0.0° |
| C27 | C29 | C30 | C28 | 0.0° | 0.2° |
| C27 | C29 | C30 | H37 | 180.0° | 179.9° |
| C27 | C29 | C30 | H38 | 180.0° | 180.0° |
| H35 | C27 | C29 | C30 | 180.0° | 180.0° |
| H35 | C27 | C29 | H37 | 0.1° | 0.0° |
| C28 | C30 | C29 | H38 | 180.0° | 179.8° |
| C28 | C30 | C29 | H37 | 180.0° | 179.7° |
| H36 | C28 | C30 | C29 | 180.0° | 179.8° |
| H36 | C28 | C30 | H38 | 0.0° | 0.0° |
| H37 | C29 | C30 | H38 | 0.0° | 0.1° |
| O8 | C32 | C31 | C33 | 38.3° | 105.0° |
| O8 | C32 | C35 | C31 | 179.6° | 180.0° |
| O8 | C32 | C31 | N6 | 159.2° | 15.0° |
| O8 | C32 | C31 | H40 | 79.9° | 135.0° |
| O8 | C32 | C35 | H44 | 133.5° | 120.0° |
| O8 | C32 | C35 | H45 | 94.9° | 119.9° |
| O8 | C32 | C35 | O11 | 19.3° | 0.0° |
| C34 | C33 | C31 | H41 | 120.0° | 120.0° |
| C34 | C33 | C31 | H42 | 120.0° | 120.1° |
| C34 | C33 | C31 | C32 | 159.6° | 174.4° |
| C33 | C34 | O9 | O10 | 179.7° | 179.9° |
| C34 | C33 | C31 | N6 | 78.3° | 65.6° |
| C34 | C33 | C31 | H40 | 41.3° | 54.4° |
| C34 | C33 | H41 | H42 | 120.0° | 120.0° |
| C33 | C34 | O10 | H43 | 179.7° | 180.0° |
| C33 | C31 | C32 | C35 | 141.2° | 75.0° |
| C33 | C31 | C32 | N6 | 120.8° | 120.0° |
| C33 | C31 | C32 | H40 | 118.2° | 120.0° |
| C31 | C33 | C34 | O9 | 152.2° | 4.5° |
| C31 | C33 | C34 | O10 | 27.5° | 175.4° |
| C33 | C31 | N6 | H40 | 118.9° | 120.0° |
| C33 | C31 | N6 | H39 | 53.1° | 21.8° |
| C31 | C33 | H41 | H42 | 120.0° | 120.0° |
| C33 | C31 | N6 | C23 | 126.9° | 158.2° |
| C35 | C32 | C31 | N6 | 20.4° | 165.0° |
| C35 | C32 | C31 | H40 | 100.6° | 45.1° |
| C32 | C35 | H44 | H45 | 134.7° | 120.1° |
| C32 | C35 | H44 | O11 | 90.5° | 120.0° |
| C32 | C35 | H45 | O11 | 90.5° | 120.0° |
| C32 | C35 | O11 | C36 | 90.0° | 180.0° |
| C32 | C31 | N6 | H40 | 120.4° | 120.0° |
| C32 | C31 | N6 | H39 | 67.6° | 98.3° |
| C32 | C31 | C33 | H41 | 39.6° | 65.6° |
| C32 | C31 | C33 | H42 | 80.3° | 54.3° |
| C31 | C32 | C35 | H44 | 46.0° | 60.1° |
| C31 | C32 | C35 | H45 | 85.5° | 60.0° |
| C31 | C32 | C35 | O11 | 160.3° | 180.0° |
| C32 | C31 | N6 | C23 | 112.4° | 81.8° |
| O9 | C34 | C33 | H41 | 87.8° | 115.5° |
| O9 | C34 | C33 | H42 | 32.2° | 124.6° |
| O9 | C34 | O10 | H43 | 0.0° | 0.1° |
| O10 | C34 | C33 | H41 | 92.5° | 64.6° |
| O10 | C34 | C33 | H42 | 147.5° | 55.4° |
| C31 | N6 | H39 | C23 | 180.0° | 180.0° |
| N6 | C31 | C33 | H41 | 161.7° | 54.4° |
| N6 | C31 | C33 | H42 | 41.8° | 174.3° |
| H39 | N6 | C31 | H40 | 172.0° | 141.7° |
| H40 | C31 | C33 | H41 | 78.7° | 174.3° |
| H40 | C31 | C33 | H42 | 161.4° | 65.7° |
| H40 | C31 | N6 | C23 | 8.0° | 38.2° |
| H44 | C35 | H45 | O11 | 134.7° | 119.9° |
| H44 | C35 | O11 | C36 | 90.0° | 60.0° |
| H45 | C35 | O11 | C36 | 90.0° | 60.0° |
| C35 | O11 | C36 | O12 | 90.0° | 0.0° |
| C35 | O11 | C36 | C37 | 90.0° | 180.0° |
| O11 | C36 | O12 | C37 | 90.0° | 180.0° |
| O11 | C36 | C37 | C38 | 90.0° | 90.0° |
| O11 | C36 | C37 | C42 | 90.0° | 89.8° |
| O12 | C36 | C37 | C38 | 90.0° | 90.0° |
| O12 | C36 | C37 | C42 | 90.0° | 90.2° |
| C36 | C37 | C38 | C42 | 90.0° | 179.8° |
| C36 | C37 | C38 | C39 | 90.0° | 180.0° |
| C36 | C37 | C42 | C41 | 90.0° | 179.7° |
| C36 | C37 | C42 | C43 | 90.0° | 0.2° |
| C36 | C37 | C38 | C44 | 90.0° | 0.0° |
| C37 | C38 | C39 | C44 | 90.0° | 180.0° |
| C37 | C38 | C39 | C40 | 90.0° | 0.1° |
| C38 | C37 | C42 | C41 | 90.0° | 0.5° |
| C37 | C38 | C39 | H46 | 90.0° | 180.0° |
| C38 | C37 | C42 | C43 | 90.0° | 180.0° |
| C37 | C38 | C44 | H52 | 90.0° | 90.0° |
| C37 | C38 | C44 | H53 | 90.0° | 150.0° |
| C37 | C38 | C44 | H54 | 90.0° | 30.0° |
| C38 | C39 | C40 | H46 | 90.0° | 179.9° |
| C38 | C39 | C40 | C41 | 90.0° | 0.0° |
| C39 | C38 | C37 | C42 | 90.0° | 0.2° |
| C38 | C39 | C40 | H47 | 90.0° | 180.0° |
| C39 | C38 | C44 | H52 | 90.0° | 90.0° |
| C39 | C38 | C44 | H53 | 90.0° | 30.0° |
| C39 | C38 | C44 | H54 | 90.0° | 150.0° |
| C39 | C40 | C41 | H47 | 90.0° | 180.0° |
| C39 | C40 | C41 | C42 | 90.0° | 0.3° |
| C39 | C40 | C41 | H48 | 90.0° | 180.0° |
| C40 | C39 | C38 | C44 | 90.0° | 179.9° |
| C40 | C41 | C42 | H48 | 90.0° | 179.7° |
| C40 | C41 | C42 | C37 | 90.0° | 0.6° |
| C41 | C40 | C39 | H46 | 90.0° | 179.9° |
| C40 | C41 | C42 | C43 | 90.0° | 180.0° |
| C41 | C42 | C37 | C43 | 90.0° | 179.5° |
| C42 | C41 | C40 | H47 | 90.0° | 179.7° |
| C41 | C42 | C43 | H49 | 90.0° | 90.0° |
| C41 | C42 | C43 | H50 | 90.0° | 150.0° |
| C41 | C42 | C43 | H51 | 90.0° | 30.0° |
| C37 | C42 | C41 | H48 | 90.0° | 179.7° |
| C42 | C37 | C38 | C44 | 90.0° | 179.8° |
| C37 | C42 | C43 | H49 | 90.0° | 90.5° |
| C37 | C42 | C43 | H50 | 90.0° | 29.5° |
| C37 | C42 | C43 | H51 | 90.0° | 149.5° |
| H46 | C39 | C40 | H47 | 90.0° | 0.0° |
| H46 | C39 | C38 | C44 | 90.0° | 0.0° |
| H47 | C40 | C41 | H48 | 90.0° | 0.0° |
| H48 | C41 | C42 | C43 | 90.0° | 0.3° |
| C42 | C43 | H49 | H50 | 90.0° | 120.0° |
| C42 | C43 | H49 | H51 | 90.0° | 120.0° |
| C42 | C43 | H50 | H51 | 90.0° | 120.0° |
| C38 | C44 | H52 | H53 | 90.0° | 120.0° |
| C38 | C44 | H52 | H54 | 90.0° | 120.0° |
| C38 | C44 | H53 | H54 | 90.0° | 120.1° |
| H49 | C43 | H50 | H51 | 90.0° | 120.0° |
| H52 | C44 | H53 | H54 | 90.0° | 119.9° |
