A1EC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O44 | N46 | doub | 1.22Å | 1.40Å | |
| O48 | N46 | sing | 1.22Å | 1.18Å | |
| N46 | C20 | sing | 1.48Å | 1.45Å | |
| C01 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| C02 | C12 | doub | 1.37Å | 1.40Å | Aromatic |
| C23 | N50 | doub | 1.31Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.36Å | Aromatic |
| N50 | O52 | sing | 1.22Å | 1.36Å | Aromatic |
| C12 | C24 | sing | 1.46Å | 1.42Å | Aromatic |
| C12 | N45 | sing | 1.39Å | 1.47Å | |
| C24 | N51 | doub | 1.31Å | 1.36Å | Aromatic |
| O52 | N51 | sing | 1.21Å | 1.36Å | Aromatic |
| N45 | C21 | sing | 1.46Å | 1.46Å | |
| C21 | C03 | sing | 1.53Å | 1.56Å | |
| C03 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C04 | sing | 1.53Å | 1.57Å | |
| C04 | C14 | sing | 1.53Å | 1.55Å | |
| C25 | C35 | sing | 1.53Å | 1.57Å | |
| C14 | C05 | sing | 1.53Å | 1.54Å | |
| C35 | C26 | sing | 1.53Å | 1.58Å | |
| C05 | C15 | sing | 1.53Å | 1.54Å | |
| C36 | C26 | sing | 1.53Å | 1.58Å | |
| C36 | C27 | sing | 1.53Å | 1.55Å | |
| C06 | C15 | sing | 1.53Å | 1.54Å | |
| C06 | C16 | sing | 1.53Å | 1.54Å | |
| C27 | C37 | sing | 1.53Å | 1.54Å | |
| C16 | C07 | sing | 1.53Å | 1.56Å | |
| C37 | C28 | sing | 1.53Å | 1.53Å | |
| C07 | C17 | sing | 1.53Å | 1.55Å | |
| C28 | C38 | sing | 1.53Å | 1.54Å | |
| C17 | C08 | sing | 1.53Å | 1.55Å | |
| C38 | C29 | sing | 1.53Å | 1.55Å | |
| C08 | C18 | sing | 1.53Å | 1.55Å | |
| C29 | C39 | sing | 1.53Å | 1.55Å | |
| C18 | C09 | sing | 1.51Å | 1.55Å | |
| C39 | C30 | sing | 1.53Å | 1.56Å | |
| C09 | C22 | doub | 1.31Å | 1.35Å | |
| C30 | C40 | sing | 1.53Å | 1.57Å | |
| C22 | C10 | sing | 1.51Å | 1.52Å | |
| C40 | C31 | sing | 1.53Å | 1.57Å | |
| C10 | O43 | sing | 1.43Å | 1.39Å | |
| C10 | C19 | sing | 1.53Å | 1.53Å | |
| C31 | C41 | sing | 1.53Å | 1.56Å | |
| C41 | C32 | sing | 1.53Å | 1.54Å | |
| O53 | C34 | doub | 1.21Å | 1.19Å | |
| C19 | N49 | sing | 1.46Å | 1.47Å | |
| C19 | C11 | sing | 1.53Å | 1.52Å | |
| C42 | C32 | sing | 1.53Å | 1.54Å | |
| C42 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | N49 | sing | 1.35Å | 1.48Å | |
| C34 | C33 | sing | 1.51Å | 1.56Å | |
| C11 | O47 | sing | 1.43Å | 1.41Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.08Å | 1.08Å | |
| C02 | H5 | sing | 1.08Å | 1.08Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C29 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C33 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C36 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| C40 | H66 | sing | 1.09Å | 1.10Å | |
| C40 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H68 | sing | 1.09Å | 1.10Å | |
| C41 | H69 | sing | 1.09Å | 1.10Å | |
| C42 | H70 | sing | 1.09Å | 1.10Å | |
| C42 | H71 | sing | 1.09Å | 1.10Å | |
| N45 | H72 | sing | 0.97Å | 1.00Å | |
| N49 | H73 | sing | 0.97Å | 1.00Å | |
| O43 | H74 | sing | 0.97Å | 0.95Å | |
| O47 | H75 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O44 | N46 | O48 | 119.7° | 120.0° |
| O44 | N46 | C20 | 120.2° | 120.0° |
| O48 | N46 | C20 | 120.1° | 120.0° |
| N46 | C20 | C01 | 120.9° | 120.0° |
| N46 | C20 | C23 | 119.5° | 120.0° |
| C20 | C01 | C02 | 120.1° | 122.7° |
| C01 | C20 | C23 | 119.7° | 120.1° |
| C20 | C01 | H4 | 119.9° | 118.7° |
| C01 | C02 | C12 | 120.0° | 121.7° |
| C02 | C01 | H4 | 119.9° | 118.6° |
| C01 | C02 | H5 | 120.0° | 119.1° |
| C20 | C23 | N50 | 132.2° | 138.7° |
| C20 | C23 | C24 | 120.2° | 118.6° |
| C02 | C12 | C24 | 119.5° | 118.6° |
| C02 | C12 | N45 | 120.6° | 120.7° |
| C12 | C02 | H5 | 120.0° | 119.1° |
| N50 | C23 | C24 | 107.7° | 102.6° |
| C23 | N50 | O52 | 108.2° | 109.1° |
| C23 | C24 | C12 | 120.5° | 118.2° |
| C23 | C24 | N51 | 108.2° | 102.9° |
| N50 | O52 | N51 | 107.9° | 116.2° |
| C24 | C12 | N45 | 119.9° | 120.7° |
| C12 | C24 | N51 | 131.3° | 138.8° |
| C12 | N45 | C21 | 120.8° | 120.0° |
| C12 | N45 | H72 | 106.6° | 120.0° |
| C24 | N51 | O52 | 108.0° | 109.1° |
| N45 | C21 | C03 | 110.5° | 109.5° |
| N45 | C21 | H33 | 109.2° | 109.5° |
| N45 | C21 | H34 | 109.2° | 109.5° |
| C21 | N45 | H72 | 106.6° | 120.0° |
| C21 | C03 | C13 | 112.8° | 109.5° |
| C21 | C03 | H6 | 108.7° | 109.5° |
| C21 | C03 | H7 | 108.6° | 109.5° |
| C03 | C21 | H33 | 109.2° | 109.5° |
| C03 | C21 | H34 | 109.2° | 109.5° |
| C03 | C13 | C04 | 112.6° | 109.4° |
| C13 | C03 | H6 | 108.6° | 109.5° |
| C13 | C03 | H7 | 108.6° | 109.5° |
| C03 | C13 | H20 | 108.7° | 109.5° |
| C03 | C13 | H21 | 108.7° | 109.5° |
| C13 | C04 | C14 | 112.0° | 109.4° |
| C13 | C04 | H8 | 108.9° | 109.5° |
| C13 | C04 | H9 | 108.9° | 109.5° |
| C04 | C13 | H20 | 108.7° | 109.5° |
| C04 | C13 | H21 | 108.7° | 109.4° |
| C04 | C14 | C05 | 113.2° | 109.4° |
| C14 | C04 | H8 | 108.8° | 109.5° |
| C14 | C04 | H9 | 108.8° | 109.5° |
| C04 | C14 | H22 | 108.5° | 109.5° |
| C04 | C14 | H23 | 108.5° | 109.5° |
| C25 | C35 | C26 | 112.5° | 109.5° |
| C35 | C25 | H37 | 109.5° | 109.5° |
| C35 | C25 | H38 | 109.5° | 109.5° |
| C35 | C25 | H39 | 109.5° | 109.5° |
| C25 | C35 | H56 | 108.7° | 109.5° |
| C25 | C35 | H57 | 108.7° | 109.5° |
| C14 | C05 | C15 | 112.5° | 109.4° |
| C14 | C05 | H10 | 108.7° | 109.5° |
| C14 | C05 | H11 | 108.7° | 109.5° |
| C05 | C14 | H22 | 108.5° | 109.5° |
| C05 | C14 | H23 | 108.5° | 109.5° |
| C35 | C26 | C36 | 112.4° | 109.5° |
| C35 | C26 | H40 | 108.7° | 109.5° |
| C35 | C26 | H41 | 108.7° | 109.5° |
| C26 | C35 | H56 | 108.7° | 109.5° |
| C26 | C35 | H57 | 108.7° | 109.4° |
| C05 | C15 | C06 | 113.3° | 109.4° |
| C15 | C05 | H10 | 108.7° | 109.5° |
| C15 | C05 | H11 | 108.7° | 109.5° |
| C05 | C15 | H24 | 108.5° | 109.5° |
| C05 | C15 | H25 | 108.5° | 109.5° |
| C26 | C36 | C27 | 112.6° | 109.4° |
| C36 | C26 | H40 | 108.7° | 109.5° |
| C36 | C26 | H41 | 108.7° | 109.5° |
| C26 | C36 | H58 | 108.7° | 109.5° |
| C26 | C36 | H59 | 108.7° | 109.5° |
| C36 | C27 | C37 | 112.5° | 109.5° |
| C36 | C27 | H42 | 108.7° | 109.5° |
| C36 | C27 | H43 | 108.7° | 109.5° |
| C27 | C36 | H58 | 108.7° | 109.4° |
| C27 | C36 | H59 | 108.7° | 109.4° |
| C15 | C06 | C16 | 112.8° | 109.4° |
| C15 | C06 | H12 | 108.7° | 109.5° |
| C15 | C06 | H13 | 108.6° | 109.5° |
| C06 | C15 | H24 | 108.5° | 109.5° |
| C06 | C15 | H25 | 108.5° | 109.5° |
| C06 | C16 | C07 | 112.7° | 109.4° |
| C16 | C06 | H12 | 108.6° | 109.5° |
| C16 | C06 | H13 | 108.7° | 109.5° |
| C06 | C16 | H26 | 108.7° | 109.5° |
| C06 | C16 | H27 | 108.6° | 109.5° |
| C27 | C37 | C28 | 112.3° | 109.5° |
| C37 | C27 | H42 | 108.7° | 109.4° |
| C37 | C27 | H43 | 108.7° | 109.4° |
| C27 | C37 | H60 | 108.7° | 109.5° |
| C27 | C37 | H61 | 108.8° | 109.5° |
| C16 | C07 | C17 | 112.9° | 109.4° |
| C16 | C07 | H14 | 108.6° | 109.5° |
| C16 | C07 | H15 | 108.6° | 109.5° |
| C07 | C16 | H26 | 108.7° | 109.5° |
| C07 | C16 | H27 | 108.7° | 109.5° |
| C37 | C28 | C38 | 112.3° | 109.5° |
| C37 | C28 | H44 | 108.8° | 109.5° |
| C37 | C28 | H45 | 108.8° | 109.5° |
| C28 | C37 | H60 | 108.7° | 109.5° |
| C28 | C37 | H61 | 108.8° | 109.5° |
| C07 | C17 | C08 | 112.3° | 109.4° |
| C17 | C07 | H14 | 108.6° | 109.5° |
| C17 | C07 | H15 | 108.6° | 109.5° |
| C07 | C17 | H28 | 108.8° | 109.5° |
| C07 | C17 | H29 | 108.8° | 109.5° |
| C28 | C38 | C29 | 112.6° | 109.5° |
| C38 | C28 | H44 | 108.8° | 109.5° |
| C38 | C28 | H45 | 108.8° | 109.5° |
| C28 | C38 | H62 | 108.7° | 109.5° |
| C28 | C38 | H63 | 108.7° | 109.5° |
| C17 | C08 | C18 | 112.3° | 109.4° |
| C17 | C08 | H16 | 108.8° | 109.5° |
| C17 | C08 | H17 | 108.8° | 109.5° |
| C08 | C17 | H28 | 108.8° | 109.5° |
| C08 | C17 | H29 | 108.8° | 109.5° |
| C38 | C29 | C39 | 112.8° | 109.5° |
| C38 | C29 | H46 | 108.6° | 109.5° |
| C38 | C29 | H47 | 108.7° | 109.4° |
| C29 | C38 | H62 | 108.7° | 109.5° |
| C29 | C38 | H63 | 108.7° | 109.5° |
| C08 | C18 | C09 | 113.7° | 109.5° |
| C18 | C08 | H16 | 108.7° | 109.5° |
| C18 | C08 | H17 | 108.8° | 109.5° |
| C08 | C18 | H30 | 108.4° | 109.5° |
| C08 | C18 | H31 | 108.4° | 109.5° |
| C29 | C39 | C30 | 112.9° | 109.5° |
| C39 | C29 | H46 | 108.6° | 109.5° |
| C39 | C29 | H47 | 108.6° | 109.5° |
| C29 | C39 | H64 | 108.6° | 109.5° |
| C29 | C39 | H65 | 108.6° | 109.5° |
| C18 | C09 | C22 | 152.2° | 120.0° |
| C18 | C09 | H18 | 103.9° | 120.0° |
| C09 | C18 | H30 | 108.4° | 109.5° |
| C09 | C18 | H31 | 108.4° | 109.5° |
| C39 | C30 | C40 | 112.3° | 109.5° |
| C39 | C30 | H48 | 108.8° | 109.5° |
| C39 | C30 | H49 | 108.8° | 109.4° |
| C30 | C39 | H64 | 108.6° | 109.5° |
| C30 | C39 | H65 | 108.6° | 109.5° |
| C09 | C22 | C10 | 112.6° | 120.0° |
| C22 | C09 | H18 | 103.9° | 120.0° |
| C09 | C22 | H35 | 123.7° | 119.9° |
| C30 | C40 | C31 | 112.6° | 109.4° |
| C40 | C30 | H48 | 108.7° | 109.5° |
| C40 | C30 | H49 | 108.7° | 109.5° |
| C30 | C40 | H66 | 108.7° | 109.5° |
| C30 | C40 | H67 | 108.7° | 109.5° |
| C22 | C10 | O43 | 109.4° | 109.5° |
| C22 | C10 | C19 | 110.2° | 109.5° |
| C22 | C10 | H1 | 108.8° | 109.5° |
| C10 | C22 | H35 | 123.7° | 120.1° |
| C40 | C31 | C41 | 112.7° | 109.4° |
| C40 | C31 | H50 | 108.7° | 109.5° |
| C40 | C31 | H51 | 108.7° | 109.5° |
| C31 | C40 | H66 | 108.7° | 109.5° |
| C31 | C40 | H67 | 108.7° | 109.4° |
| O43 | C10 | C19 | 109.2° | 109.5° |
| O43 | C10 | H1 | 110.6° | 109.5° |
| C10 | O43 | H74 | 109.5° | 114.0° |
| C10 | C19 | N49 | 109.0° | 109.5° |
| C10 | C19 | C11 | 109.4° | 109.5° |
| C19 | C10 | H1 | 108.7° | 109.5° |
| C10 | C19 | H32 | 109.4° | 109.5° |
| C31 | C41 | C32 | 112.8° | 109.4° |
| C41 | C31 | H50 | 108.7° | 109.5° |
| C41 | C31 | H51 | 108.6° | 109.5° |
| C31 | C41 | H68 | 108.6° | 109.5° |
| C31 | C41 | H69 | 108.6° | 109.5° |
| C41 | C32 | C42 | 112.4° | 109.5° |
| C41 | C32 | H52 | 108.7° | 109.5° |
| C41 | C32 | H53 | 108.8° | 109.5° |
| C32 | C41 | H68 | 108.6° | 109.4° |
| C32 | C41 | H69 | 108.6° | 109.4° |
| O53 | C34 | N49 | 120.0° | 120.0° |
| O53 | C34 | C33 | 119.9° | 120.0° |
| N49 | C19 | C11 | 109.3° | 109.5° |
| C19 | N49 | C34 | 120.7° | 120.0° |
| N49 | C19 | H32 | 110.3° | 109.4° |
| C19 | N49 | H73 | 119.7° | 120.0° |
| C19 | C11 | O47 | 108.4° | 109.4° |
| C19 | C11 | H2 | 109.7° | 109.5° |
| C19 | C11 | H3 | 109.7° | 109.5° |
| C11 | C19 | H32 | 109.4° | 109.4° |
| C32 | C42 | C33 | 112.5° | 109.5° |
| C42 | C32 | H52 | 108.7° | 109.4° |
| C42 | C32 | H53 | 108.7° | 109.4° |
| C32 | C42 | H70 | 108.7° | 109.5° |
| C32 | C42 | H71 | 108.7° | 109.5° |
| C42 | C33 | C34 | 112.4° | 109.5° |
| C42 | C33 | H54 | 108.7° | 109.5° |
| C42 | C33 | H55 | 108.7° | 109.5° |
| C33 | C42 | H70 | 108.7° | 109.5° |
| C33 | C42 | H71 | 108.7° | 109.5° |
| N49 | C34 | C33 | 120.1° | 120.0° |
| C34 | N49 | H73 | 119.6° | 120.0° |
| C34 | C33 | H54 | 108.7° | 109.5° |
| C34 | C33 | H55 | 108.7° | 109.5° |
| O47 | C11 | H2 | 109.7° | 109.4° |
| O47 | C11 | H3 | 109.8° | 109.5° |
| C11 | O47 | H75 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.4° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.4° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.4° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.4° |
| H37 | C25 | H38 | 109.5° | 109.4° |
| H37 | C25 | H39 | 109.5° | 109.4° |
| H38 | C25 | H39 | 109.4° | 109.5° |
| H40 | C26 | H41 | 109.5° | 109.4° |
| H42 | C27 | H43 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.5° | 109.4° |
| H46 | C29 | H47 | 109.5° | 109.5° |
| H48 | C30 | H49 | 109.5° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.4° | 109.5° |
| H54 | C33 | H55 | 109.5° | 109.4° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H58 | C36 | H59 | 109.5° | 109.5° |
| H60 | C37 | H61 | 109.5° | 109.4° |
| H62 | C38 | H63 | 109.4° | 109.4° |
| H64 | C39 | H65 | 109.5° | 109.4° |
| H66 | C40 | H67 | 109.5° | 109.5° |
| H68 | C41 | H69 | 109.5° | 109.5° |
| H70 | C42 | H71 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O44 | N46 | O48 | C20 | 179.9° | 180.0° |
| O44 | N46 | C20 | C01 | 56.1° | 0.0° |
| O44 | N46 | C20 | C23 | 123.8° | 179.7° |
| O48 | N46 | C20 | C01 | 124.0° | 180.0° |
| O48 | N46 | C20 | C23 | 56.2° | 0.3° |
| N46 | C20 | C01 | C23 | 179.9° | 179.7° |
| N46 | C20 | C01 | C02 | 179.9° | 180.0° |
| N46 | C20 | C23 | N50 | 0.0° | 0.6° |
| N46 | C20 | C23 | C24 | 180.0° | 179.7° |
| N46 | C20 | C01 | H4 | 0.1° | 0.2° |
| C20 | C01 | C02 | H4 | 180.0° | 179.8° |
| C20 | C01 | C02 | C12 | 0.2° | 0.0° |
| C01 | C20 | C23 | N50 | 179.8° | 179.7° |
| C01 | C20 | C23 | C24 | 0.1° | 0.6° |
| C20 | C01 | C02 | H5 | 179.8° | 180.0° |
| C02 | C01 | C20 | C23 | 0.3° | 0.3° |
| C01 | C02 | C12 | H5 | 180.0° | 180.0° |
| C01 | C02 | C12 | C24 | 0.0° | 0.0° |
| C01 | C02 | C12 | N45 | 179.7° | 179.7° |
| C20 | C23 | N50 | C24 | 180.0° | 179.2° |
| C20 | C23 | N50 | O52 | 180.0° | 179.2° |
| C20 | C23 | C24 | C12 | 0.1° | 0.6° |
| C20 | C23 | C24 | N51 | 180.0° | 179.4° |
| C23 | C20 | C01 | H4 | 179.7° | 179.9° |
| C02 | C12 | C24 | C23 | 0.2° | 0.3° |
| C02 | C12 | C24 | N45 | 179.7° | 179.7° |
| C02 | C12 | C24 | N51 | 180.0° | 179.7° |
| C02 | C12 | N45 | C21 | 76.8° | 0.3° |
| C12 | C02 | C01 | H4 | 179.8° | 179.8° |
| C02 | C12 | N45 | H72 | 161.6° | 179.7° |
| N50 | C23 | C24 | C12 | 179.9° | 180.0° |
| N50 | C23 | C24 | N51 | 0.1° | 0.0° |
| C23 | N50 | O52 | N51 | 0.0° | 0.1° |
| C24 | C23 | N50 | O52 | 0.0° | 0.0° |
| C23 | C24 | C12 | N51 | 179.8° | 180.0° |
| C23 | C24 | C12 | N45 | 179.9° | 180.0° |
| C23 | C24 | N51 | O52 | 0.1° | 0.0° |
| N50 | O52 | N51 | C24 | 0.1° | 0.0° |
| C12 | C24 | N51 | O52 | 179.9° | 180.0° |
| C24 | C12 | N45 | C21 | 103.5° | 180.0° |
| C24 | C12 | C02 | H5 | 180.0° | 180.0° |
| C24 | C12 | N45 | H72 | 18.1° | 0.1° |
| N45 | C12 | C24 | N51 | 0.3° | 0.0° |
| C12 | N45 | C21 | H72 | 121.6° | 179.9° |
| C12 | N45 | C21 | C03 | 174.4° | 180.0° |
| N45 | C12 | C02 | H5 | 0.3° | 0.3° |
| C12 | N45 | C21 | H33 | 54.2° | 60.0° |
| C12 | N45 | C21 | H34 | 65.4° | 59.9° |
| N45 | C21 | C03 | H33 | 120.1° | 120.0° |
| N45 | C21 | C03 | H34 | 120.2° | 120.1° |
| N45 | C21 | C03 | C13 | 166.8° | 180.0° |
| N45 | C21 | C03 | H6 | 46.3° | 60.0° |
| N45 | C21 | C03 | H7 | 72.7° | 60.0° |
| N45 | C21 | H33 | H34 | 119.5° | 120.0° |
| C21 | C03 | C13 | H6 | 120.5° | 120.0° |
| C21 | C03 | C13 | H7 | 120.5° | 120.0° |
| C21 | C03 | C13 | C04 | 144.0° | 180.0° |
| C21 | C03 | H6 | H7 | 118.4° | 120.0° |
| C21 | C03 | C13 | H20 | 95.5° | 60.0° |
| C21 | C03 | C13 | H21 | 23.5° | 60.0° |
| C03 | C21 | H33 | H34 | 119.5° | 120.0° |
| C03 | C21 | N45 | H72 | 64.0° | 0.1° |
| C03 | C13 | C04 | H20 | 120.5° | 120.0° |
| C03 | C13 | C04 | H21 | 120.5° | 120.0° |
| C03 | C13 | C04 | C14 | 116.0° | NaN° |
| C13 | C03 | H6 | H7 | 118.5° | 120.0° |
| C03 | C13 | C04 | H8 | 4.4° | 60.0° |
| C03 | C13 | C04 | H9 | 123.7° | 60.0° |
| C03 | C13 | H20 | H21 | 118.5° | 120.0° |
| C13 | C03 | C21 | H33 | 73.1° | 60.0° |
| C13 | C03 | C21 | H34 | 46.6° | 60.0° |
| C13 | C04 | C14 | H8 | 120.4° | 120.0° |
| C13 | C04 | C14 | H9 | 120.4° | 120.0° |
| C13 | C04 | C14 | C05 | 174.1° | 180.0° |
| C04 | C13 | C03 | H6 | 23.5° | 60.0° |
| C04 | C13 | C03 | H7 | 95.5° | 60.0° |
| C13 | C04 | H8 | H9 | 118.9° | 120.0° |
| C04 | C13 | H20 | H21 | 118.6° | 120.0° |
| C13 | C04 | C14 | H22 | 53.5° | 60.0° |
| C13 | C04 | C14 | H23 | 65.3° | 60.0° |
| C04 | C14 | C05 | H22 | 120.5° | 120.0° |
| C04 | C14 | C05 | H23 | 120.6° | 120.0° |
| C04 | C14 | C05 | C15 | 73.6° | 180.0° |
| C14 | C04 | H8 | H9 | 118.8° | 120.0° |
| C04 | C14 | C05 | H10 | 46.9° | 60.0° |
| C04 | C14 | C05 | H11 | 166.0° | 60.0° |
| C14 | C04 | C13 | H20 | 123.5° | 60.0° |
| C14 | C04 | C13 | H21 | 4.5° | 60.0° |
| C04 | C14 | H22 | H23 | 118.3° | 120.0° |
| C25 | C35 | C26 | H56 | 120.4° | 120.1° |
| C25 | C35 | C26 | H57 | 120.5° | 120.0° |
| C25 | C35 | C26 | C36 | 20.1° | NaN° |
| C35 | C25 | H37 | H38 | 120.0° | 120.0° |
| C35 | C25 | H37 | H39 | 120.0° | 120.1° |
| C35 | C25 | H38 | H39 | 120.0° | 120.1° |
| C25 | C35 | C26 | H40 | 100.4° | 60.0° |
| C25 | C35 | C26 | H41 | 140.5° | 60.0° |
| C25 | C35 | H56 | H57 | 118.6° | 120.0° |
| C14 | C05 | C15 | H10 | 120.5° | 120.0° |
| C14 | C05 | C15 | H11 | 120.5° | 120.0° |
| C14 | C05 | C15 | C06 | 45.5° | 180.0° |
| C05 | C14 | C04 | H8 | 65.5° | 60.0° |
| C05 | C14 | C04 | H9 | 53.7° | 60.0° |
| C14 | C05 | H10 | H11 | 118.6° | 120.0° |
| C05 | C14 | H22 | H23 | 118.3° | 120.1° |
| C14 | C05 | C15 | H24 | 75.1° | 60.0° |
| C14 | C05 | C15 | H25 | 166.0° | 60.0° |
| C35 | C26 | C36 | H40 | 120.4° | 120.0° |
| C35 | C26 | C36 | H41 | 120.4° | 120.0° |
| C35 | C26 | C36 | C27 | 146.0° | 180.0° |
| C26 | C35 | C25 | H37 | 180.0° | 180.0° |
| C26 | C35 | C25 | H38 | 60.0° | 60.0° |
| C26 | C35 | C25 | H39 | 60.0° | 60.0° |
| C35 | C26 | H40 | H41 | 118.7° | 120.0° |
| C26 | C35 | H56 | H57 | 118.6° | 119.9° |
| C35 | C26 | C36 | H58 | 25.5° | 60.0° |
| C35 | C26 | C36 | H59 | 93.6° | 60.1° |
| C05 | C15 | C06 | H24 | 120.6° | 120.0° |
| C05 | C15 | C06 | H25 | 120.6° | 120.0° |
| C05 | C15 | C06 | C16 | 152.8° | 180.0° |
| C15 | C05 | H10 | H11 | 118.6° | 120.0° |
| C05 | C15 | C06 | H12 | 32.3° | 60.0° |
| C05 | C15 | C06 | H13 | 86.7° | 60.0° |
| C15 | C05 | C14 | H22 | 165.9° | 60.0° |
| C15 | C05 | C14 | H23 | 47.0° | 60.0° |
| C05 | C15 | H24 | H25 | 118.3° | 120.0° |
| C26 | C36 | C27 | H58 | 120.5° | 120.0° |
| C26 | C36 | C27 | H59 | 120.5° | 120.0° |
| C26 | C36 | C27 | C37 | 48.0° | 180.0° |
| C36 | C26 | H40 | H41 | 118.7° | 120.0° |
| C26 | C36 | C27 | H42 | 72.5° | 60.0° |
| C26 | C36 | C27 | H43 | 168.5° | 60.0° |
| C36 | C26 | C35 | H56 | 140.5° | 59.9° |
| C36 | C26 | C35 | H57 | 100.4° | 60.0° |
| C26 | C36 | H58 | H59 | 118.5° | 120.1° |
| C36 | C27 | C37 | H42 | 120.5° | 120.0° |
| C36 | C27 | C37 | H43 | 120.4° | 120.0° |
| C36 | C27 | C37 | C28 | 156.0° | 180.0° |
| C27 | C36 | C26 | H40 | 93.6° | 60.0° |
| C27 | C36 | C26 | H41 | 25.6° | 60.0° |
| C36 | C27 | H42 | H43 | 118.6° | 120.1° |
| C27 | C36 | H58 | H59 | 118.6° | 120.0° |
| C36 | C27 | C37 | H60 | 35.6° | 60.0° |
| C36 | C27 | C37 | H61 | 83.6° | 60.0° |
| C15 | C06 | C16 | H12 | 120.5° | 120.0° |
| C15 | C06 | C16 | H13 | 120.5° | 120.0° |
| C15 | C06 | C16 | C07 | 46.7° | NaN° |
| C06 | C15 | C05 | H10 | 165.9° | 60.0° |
| C06 | C15 | C05 | H11 | 75.0° | 60.0° |
| C15 | C06 | H12 | H13 | 118.5° | 120.0° |
| C06 | C15 | H24 | H25 | 118.2° | 120.0° |
| C15 | C06 | C16 | H26 | 167.2° | 60.0° |
| C15 | C06 | C16 | H27 | 73.7° | 60.0° |
| C06 | C16 | C07 | H26 | 120.5° | 120.0° |
| C06 | C16 | C07 | H27 | 120.5° | 120.0° |
| C06 | C16 | C07 | C17 | 171.4° | 180.0° |
| C16 | C06 | H12 | H13 | 118.5° | 120.0° |
| C06 | C16 | C07 | H14 | 68.1° | 60.0° |
| C06 | C16 | C07 | H15 | 50.9° | 60.0° |
| C16 | C06 | C15 | H24 | 86.6° | 60.0° |
| C16 | C06 | C15 | H25 | 32.2° | 60.0° |
| C06 | C16 | H26 | H27 | 118.5° | 120.0° |
| C27 | C37 | C28 | H60 | 120.4° | 120.0° |
| C27 | C37 | C28 | H61 | 120.4° | 120.0° |
| C27 | C37 | C28 | C38 | 145.5° | 180.0° |
| C37 | C27 | H42 | H43 | 118.6° | 120.0° |
| C27 | C37 | C28 | H44 | 25.1° | 60.0° |
| C27 | C37 | C28 | H45 | 94.1° | 60.0° |
| C37 | C27 | C36 | H58 | 168.5° | 60.0° |
| C37 | C27 | C36 | H59 | 72.5° | 60.0° |
| C27 | C37 | H60 | H61 | 118.7° | 120.0° |
| C16 | C07 | C17 | H14 | 120.5° | 120.0° |
| C16 | C07 | C17 | H15 | 120.5° | 120.0° |
| C16 | C07 | C17 | C08 | 159.8° | 180.0° |
| C07 | C16 | C06 | H12 | 73.8° | 60.0° |
| C07 | C16 | C06 | H13 | 167.2° | 60.0° |
| C16 | C07 | H14 | H15 | 118.4° | 120.0° |
| C07 | C16 | H26 | H27 | 118.5° | 120.0° |
| C16 | C07 | C17 | H28 | 79.7° | 60.0° |
| C16 | C07 | C17 | H29 | 39.4° | 60.0° |
| C37 | C28 | C38 | H44 | 120.4° | 120.0° |
| C37 | C28 | C38 | H45 | 120.4° | 120.0° |
| C37 | C28 | C38 | C29 | 65.0° | 180.0° |
| C28 | C37 | C27 | H42 | 83.6° | 60.0° |
| C28 | C37 | C27 | H43 | 35.5° | 60.0° |
| C37 | C28 | H44 | H45 | 118.7° | 120.0° |
| C28 | C37 | H60 | H61 | 118.7° | 120.0° |
| C37 | C28 | C38 | H62 | 55.5° | 60.0° |
| C37 | C28 | C38 | H63 | 174.5° | 60.0° |
| C07 | C17 | C08 | H28 | 120.4° | 120.0° |
| C07 | C17 | C08 | H29 | 120.4° | 120.0° |
| C07 | C17 | C08 | C18 | 103.8° | 180.0° |
| C17 | C07 | H14 | H15 | 118.4° | 120.0° |
| C07 | C17 | C08 | H16 | 16.6° | 60.0° |
| C07 | C17 | C08 | H17 | 135.7° | 60.0° |
| C17 | C07 | C16 | H26 | 50.9° | 60.0° |
| C17 | C07 | C16 | H27 | 68.1° | 60.0° |
| C07 | C17 | H28 | H29 | 118.7° | 120.0° |
| C28 | C38 | C29 | H62 | 120.5° | 120.0° |
| C28 | C38 | C29 | H63 | 120.5° | 120.0° |
| C28 | C38 | C29 | C39 | 83.5° | 180.0° |
| C38 | C28 | H44 | H45 | 118.7° | 120.0° |
| C28 | C38 | C29 | H46 | 37.0° | 60.0° |
| C28 | C38 | C29 | H47 | 156.0° | 60.0° |
| C38 | C28 | C37 | H60 | 94.1° | 60.0° |
| C38 | C28 | C37 | H61 | 25.1° | 60.0° |
| C28 | C38 | H62 | H63 | 118.6° | 120.0° |
| C17 | C08 | C18 | H16 | 120.4° | 120.0° |
| C17 | C08 | C18 | H17 | 120.5° | 120.0° |
| C17 | C08 | C18 | C09 | 175.1° | 180.0° |
| C08 | C17 | C07 | H14 | 39.3° | 60.0° |
| C08 | C17 | C07 | H15 | 79.6° | 60.0° |
| C17 | C08 | H16 | H17 | 118.7° | 120.0° |
| C08 | C17 | H28 | H29 | 118.7° | 120.0° |
| C17 | C08 | C18 | H30 | 54.5° | 60.0° |
| C17 | C08 | C18 | H31 | 64.3° | 60.0° |
| C38 | C29 | C39 | H46 | 120.5° | 120.0° |
| C38 | C29 | C39 | H47 | 120.5° | 120.0° |
| C38 | C29 | C39 | C30 | 147.5° | 180.0° |
| C29 | C38 | C28 | H44 | 174.6° | 60.0° |
| C29 | C38 | C28 | H45 | 55.4° | 60.0° |
| C38 | C29 | H46 | H47 | 118.5° | 119.9° |
| C29 | C38 | H62 | H63 | 118.6° | 120.0° |
| C38 | C29 | C39 | H64 | 27.0° | 60.0° |
| C38 | C29 | C39 | H65 | 92.0° | 60.0° |
| C08 | C18 | C09 | H30 | 120.6° | 120.0° |
| C08 | C18 | C09 | H31 | 120.6° | 120.0° |
| C08 | C18 | C09 | C22 | 98.7° | 124.9° |
| C18 | C08 | H16 | H17 | 118.7° | 120.0° |
| C08 | C18 | C09 | H18 | 81.3° | 55.0° |
| C18 | C08 | C17 | H28 | 135.8° | 60.0° |
| C18 | C08 | C17 | H29 | 16.6° | 60.0° |
| C08 | C18 | H30 | H31 | 118.1° | 120.0° |
| C29 | C39 | C30 | H64 | 120.5° | 120.0° |
| C29 | C39 | C30 | H65 | 120.5° | 120.0° |
| C29 | C39 | C30 | C40 | 134.0° | 180.0° |
| C39 | C29 | H46 | H47 | 118.5° | 120.0° |
| C29 | C39 | C30 | H48 | 105.6° | 59.9° |
| C29 | C39 | C30 | H49 | 13.5° | 60.0° |
| C39 | C29 | C38 | H62 | 156.0° | 60.0° |
| C39 | C29 | C38 | H63 | 37.0° | 60.0° |
| C29 | C39 | H64 | H65 | 118.5° | 120.0° |
| C18 | C09 | C22 | H18 | 180.0° | 179.9° |
| C18 | C09 | C22 | C10 | 179.3° | 180.0° |
| C09 | C18 | C08 | H16 | 64.5° | 60.0° |
| C09 | C18 | C08 | H17 | 54.6° | 60.0° |
| C09 | C18 | H30 | H31 | 118.1° | 120.0° |
| C18 | C09 | C22 | H35 | 0.7° | 0.1° |
| C39 | C30 | C40 | H48 | 120.4° | 120.0° |
| C39 | C30 | C40 | H49 | 120.4° | 120.0° |
| C39 | C30 | C40 | C31 | 122.7° | 180.0° |
| C30 | C39 | C29 | H46 | 92.0° | 60.0° |
| C30 | C39 | C29 | H47 | 27.0° | 60.0° |
| C39 | C30 | H48 | H49 | 118.7° | 119.9° |
| C30 | C39 | H64 | H65 | 118.5° | 120.0° |
| C39 | C30 | C40 | H66 | 116.8° | 60.0° |
| C39 | C30 | C40 | H67 | 2.3° | 60.1° |
| C09 | C22 | C10 | H35 | 180.0° | 179.9° |
| C09 | C22 | C10 | O43 | 107.9° | 5.1° |
| C09 | C22 | C10 | C19 | 132.1° | 125.1° |
| C09 | C22 | C10 | H1 | 13.0° | 115.0° |
| C22 | C09 | C18 | H30 | 21.9° | 5.0° |
| C22 | C09 | C18 | H31 | 140.7° | 115.0° |
| C30 | C40 | C31 | H66 | 120.5° | 120.0° |
| C30 | C40 | C31 | H67 | 120.5° | 120.0° |
| C30 | C40 | C31 | C41 | 29.7° | 180.0° |
| C40 | C30 | H48 | H49 | 118.7° | 120.0° |
| C30 | C40 | C31 | H50 | 150.1° | 60.0° |
| C30 | C40 | C31 | H51 | 90.8° | 60.0° |
| C40 | C30 | C39 | H64 | 13.5° | 60.0° |
| C40 | C30 | C39 | H65 | 105.5° | 60.0° |
| C30 | C40 | H66 | H67 | 118.6° | 120.0° |
| C22 | C10 | O43 | C19 | 120.6° | 120.0° |
| C22 | C10 | O43 | H1 | 119.8° | 120.0° |
| C22 | C10 | C19 | H1 | 119.1° | 120.0° |
| C22 | C10 | C19 | N49 | 172.5° | 59.0° |
| C22 | C10 | C19 | C11 | 68.0° | 179.1° |
| C10 | C22 | C09 | H18 | 0.7° | 0.1° |
| C22 | C10 | C19 | H32 | 51.9° | 61.0° |
| C22 | C10 | O43 | H74 | 180.0° | 65.5° |
| C40 | C31 | C41 | H50 | 120.5° | 120.0° |
| C40 | C31 | C41 | H51 | 120.5° | 120.0° |
| C40 | C31 | C41 | C32 | 167.8° | 180.0° |
| C31 | C40 | C30 | H48 | 2.3° | 60.0° |
| C31 | C40 | C30 | H49 | 116.8° | 60.0° |
| C40 | C31 | H50 | H51 | 118.6° | 120.1° |
| C31 | C40 | H66 | H67 | 118.6° | 120.0° |
| C40 | C31 | C41 | H68 | 71.7° | 60.1° |
| C40 | C31 | C41 | H69 | 47.2° | 60.1° |
| O43 | C10 | C19 | H1 | 120.8° | 120.0° |
| O43 | C10 | C19 | N49 | 67.3° | 179.0° |
| O43 | C10 | C19 | C11 | 52.1° | 60.9° |
| O43 | C10 | C19 | H32 | 172.0° | 59.0° |
| O43 | C10 | C22 | H35 | 72.1° | 175.0° |
| C10 | C19 | N49 | C11 | 119.5° | 120.0° |
| C10 | C19 | N49 | H32 | 120.1° | 120.0° |
| C10 | C19 | C11 | H32 | 119.8° | 120.0° |
| C10 | C19 | N49 | C34 | 112.7° | 155.0° |
| C10 | C19 | C11 | O47 | 143.4° | 55.6° |
| C10 | C19 | C11 | H2 | 23.6° | 64.4° |
| C10 | C19 | C11 | H3 | 96.7° | 175.6° |
| C19 | C10 | C22 | H35 | 47.9° | 55.0° |
| C10 | C19 | N49 | H73 | 67.3° | 25.0° |
| C19 | C10 | O43 | H74 | 59.4° | 54.5° |
| C31 | C41 | C32 | H68 | 120.5° | 120.0° |
| C31 | C41 | C32 | H69 | 120.5° | 120.0° |
| C31 | C41 | C32 | C42 | 112.0° | 180.0° |
| C41 | C31 | H50 | H51 | 118.5° | 120.0° |
| C31 | C41 | C32 | H52 | 127.5° | 60.0° |
| C31 | C41 | C32 | H53 | 8.4° | 60.0° |
| C41 | C31 | C40 | H66 | 90.8° | 60.0° |
| C41 | C31 | C40 | H67 | 150.1° | 60.0° |
| C31 | C41 | H68 | H69 | 118.5° | 120.1° |
| C41 | C32 | C42 | H52 | 120.5° | 120.0° |
| C41 | C32 | C42 | H53 | 120.5° | 120.0° |
| C41 | C32 | C42 | C33 | 144.9° | 180.0° |
| C32 | C41 | C31 | H50 | 47.3° | 60.0° |
| C32 | C41 | C31 | H51 | 71.7° | 60.0° |
| C41 | C32 | H52 | H53 | 118.7° | 120.1° |
| C32 | C41 | H68 | H69 | 118.5° | 120.0° |
| C41 | C32 | C42 | H70 | 94.6° | 60.0° |
| C41 | C32 | C42 | H71 | 24.5° | 60.0° |
| O53 | C34 | N49 | C19 | 0.0° | 0.0° |
| O53 | C34 | C33 | C42 | 51.2° | 0.0° |
| O53 | C34 | N49 | C33 | 179.9° | 180.0° |
| O53 | C34 | C33 | H54 | 69.3° | 120.0° |
| O53 | C34 | C33 | H55 | 171.6° | 120.0° |
| O53 | C34 | N49 | H73 | 180.0° | 180.0° |
| N49 | C19 | C11 | H32 | 120.9° | 120.0° |
| C19 | N49 | C34 | H73 | 180.0° | 180.0° |
| C19 | N49 | C34 | C33 | 179.8° | 180.0° |
| N49 | C19 | C11 | O47 | 24.2° | 64.4° |
| N49 | C19 | C10 | H1 | 53.4° | 61.0° |
| N49 | C19 | C11 | H2 | 95.6° | 175.6° |
| N49 | C19 | C11 | H3 | 144.0° | 55.5° |
| C11 | C19 | N49 | C34 | 127.8° | 85.0° |
| C19 | C11 | O47 | H2 | 119.8° | 120.0° |
| C19 | C11 | O47 | H3 | 119.8° | 120.0° |
| C11 | C19 | C10 | H1 | 172.9° | 59.1° |
| C19 | C11 | H2 | H3 | 120.5° | 120.1° |
| C11 | C19 | N49 | H73 | 52.2° | 95.0° |
| C19 | C11 | O47 | H75 | 180.0° | 180.0° |
| C32 | C42 | C33 | H70 | 120.4° | 120.0° |
| C32 | C42 | C33 | H71 | 120.5° | 120.0° |
| C32 | C42 | C33 | C34 | 124.1° | 180.0° |
| C42 | C32 | H52 | H53 | 118.6° | 120.0° |
| C32 | C42 | C33 | H54 | 3.7° | 60.0° |
| C32 | C42 | C33 | H55 | 115.5° | 60.0° |
| C42 | C32 | C41 | H68 | 8.5° | 60.0° |
| C42 | C32 | C41 | H69 | 127.5° | 60.0° |
| C32 | C42 | H70 | H71 | 118.6° | 120.0° |
| C42 | C33 | C34 | N49 | 128.7° | 180.0° |
| C42 | C33 | C34 | H54 | 120.4° | 120.0° |
| C42 | C33 | C34 | H55 | 120.4° | 120.0° |
| C33 | C42 | C32 | H52 | 24.5° | 60.0° |
| C33 | C42 | C32 | H53 | 94.6° | 60.0° |
| C42 | C33 | H54 | H55 | 118.7° | 120.0° |
| C33 | C42 | H70 | H71 | 118.6° | 120.0° |
| C34 | N49 | C19 | H32 | 7.4° | 35.0° |
| N49 | C34 | C33 | H54 | 110.9° | 60.0° |
| N49 | C34 | C33 | H55 | 8.3° | 60.0° |
| C34 | C33 | H54 | H55 | 118.7° | 120.0° |
| C34 | C33 | C42 | H70 | 115.5° | 60.0° |
| C34 | C33 | C42 | H71 | 3.6° | 60.0° |
| C33 | C34 | N49 | H73 | 0.2° | 0.0° |
| O47 | C11 | H2 | H3 | 120.5° | 120.0° |
| O47 | C11 | C19 | H32 | 96.7° | 175.6° |
| H1 | C10 | C19 | H32 | 67.3° | 179.0° |
| H1 | C10 | C22 | H35 | 167.0° | 65.0° |
| H1 | C10 | O43 | H74 | 60.2° | 174.5° |
| H2 | C11 | C19 | H32 | 143.4° | 55.6° |
| H2 | C11 | O47 | H75 | 60.2° | 60.0° |
| H3 | C11 | C19 | H32 | 23.1° | 64.4° |
| H3 | C11 | O47 | H75 | 60.2° | 60.0° |
| H4 | C01 | C02 | H5 | 0.2° | 0.3° |
| H6 | C03 | C13 | H20 | 143.9° | 60.0° |
| H6 | C03 | C13 | H21 | 97.0° | 179.9° |
| H6 | C03 | C21 | H33 | 166.4° | 180.0° |
| H6 | C03 | C21 | H34 | 73.9° | 60.1° |
| H7 | C03 | C13 | H20 | 25.0° | 180.0° |
| H7 | C03 | C13 | H21 | 144.0° | 59.9° |
| H7 | C03 | C21 | H33 | 47.4° | 60.0° |
| H7 | C03 | C21 | H34 | 167.1° | 179.9° |
| H8 | C04 | C13 | H20 | 116.1° | 180.0° |
| H8 | C04 | C13 | H21 | 124.9° | 60.0° |
| H8 | C04 | C14 | H22 | 173.9° | 180.0° |
| H8 | C04 | C14 | H23 | 55.1° | 60.0° |
| H9 | C04 | C13 | H20 | 3.2° | 60.0° |
| H9 | C04 | C13 | H21 | 115.9° | 180.0° |
| H9 | C04 | C14 | H22 | 66.8° | 60.0° |
| H9 | C04 | C14 | H23 | 174.3° | 180.0° |
| H10 | C05 | C14 | H22 | 73.6° | 180.0° |
| H10 | C05 | C14 | H23 | 167.5° | 60.0° |
| H10 | C05 | C15 | H24 | 45.3° | 180.0° |
| H10 | C05 | C15 | H25 | 73.5° | 60.0° |
| H11 | C05 | C14 | H22 | 45.4° | 60.0° |
| H11 | C05 | C14 | H23 | 73.5° | 180.0° |
| H11 | C05 | C15 | H24 | 164.4° | 60.0° |
| H11 | C05 | C15 | H25 | 45.6° | NaN° |
| H12 | C06 | C15 | H24 | 152.9° | 180.0° |
| H12 | C06 | C15 | H25 | 88.3° | 60.0° |
| H12 | C06 | C16 | H26 | 46.7° | 180.0° |
| H12 | C06 | C16 | H27 | 165.8° | 60.0° |
| H13 | C06 | C15 | H24 | 33.9° | 60.0° |
| H13 | C06 | C15 | H25 | 152.7° | 180.0° |
| H13 | C06 | C16 | H26 | 72.3° | 60.0° |
| H13 | C06 | C16 | H27 | 46.8° | 180.0° |
| H14 | C07 | C16 | H26 | 171.4° | 180.0° |
| H14 | C07 | C16 | H27 | 52.4° | 60.0° |
| H14 | C07 | C17 | H28 | 159.8° | 180.0° |
| H14 | C07 | C17 | H29 | 81.1° | 60.0° |
| H15 | C07 | C16 | H26 | 69.6° | 59.9° |
| H15 | C07 | C16 | H27 | 171.3° | 180.0° |
| H15 | C07 | C17 | H28 | 40.8° | 59.9° |
| H15 | C07 | C17 | H29 | 159.9° | 180.0° |
| H16 | C08 | C17 | H28 | 103.8° | 180.0° |
| H16 | C08 | C17 | H29 | 137.0° | 60.0° |
| H16 | C08 | C18 | H30 | 174.9° | 180.0° |
| H16 | C08 | C18 | H31 | 56.1° | 60.0° |
| H17 | C08 | C17 | H28 | 15.3° | 59.9° |
| H17 | C08 | C17 | H29 | 103.8° | 180.0° |
| H17 | C08 | C18 | H30 | 66.0° | 59.9° |
| H17 | C08 | C18 | H31 | 175.2° | 180.0° |
| H18 | C09 | C18 | H30 | 158.1° | 175.0° |
| H18 | C09 | C18 | H31 | 39.3° | 65.0° |
| H18 | C09 | C22 | H35 | 179.3° | 180.0° |
| H32 | C19 | N49 | H73 | 172.6° | 145.0° |
| H33 | C21 | N45 | H72 | 175.8° | 120.0° |
| H34 | C21 | N45 | H72 | 56.1° | 120.0° |
| H37 | C25 | H38 | H39 | 120.0° | 119.9° |
| H37 | C25 | C35 | H56 | 59.6° | 60.0° |
| H37 | C25 | C35 | H57 | 59.5° | 60.1° |
| H38 | C25 | C35 | H56 | 60.5° | 60.0° |
| H38 | C25 | C35 | H57 | 179.5° | 180.0° |
| H39 | C25 | C35 | H56 | 179.6° | 180.0° |
| H39 | C25 | C35 | H57 | 60.5° | 59.9° |
| H40 | C26 | C35 | H56 | 20.1° | 180.0° |
| H40 | C26 | C35 | H57 | 139.2° | 60.0° |
| H40 | C26 | C36 | H58 | 145.9° | 179.9° |
| H40 | C26 | C36 | H59 | 26.9° | 60.0° |
| H41 | C26 | C35 | H56 | 99.1° | 60.0° |
| H41 | C26 | C35 | H57 | 20.0° | 180.0° |
| H41 | C26 | C36 | H58 | 94.9° | 60.0° |
| H41 | C26 | C36 | H59 | 146.0° | 179.9° |
| H42 | C27 | C36 | H58 | 48.0° | 180.0° |
| H42 | C27 | C36 | H59 | 167.1° | 59.9° |
| H42 | C27 | C37 | H60 | 156.1° | 180.0° |
| H42 | C27 | C37 | H61 | 36.9° | 60.0° |
| H43 | C27 | C36 | H58 | 71.1° | 60.0° |
| H43 | C27 | C36 | H59 | 48.0° | 180.0° |
| H43 | C27 | C37 | H60 | 84.9° | 60.0° |
| H43 | C27 | C37 | H61 | 156.0° | 180.0° |
| H44 | C28 | C37 | H60 | 145.5° | NaN° |
| H44 | C28 | C37 | H61 | 95.4° | 60.0° |
| H44 | C28 | C38 | H62 | 65.0° | 180.0° |
| H44 | C28 | C38 | H63 | 54.1° | 60.0° |
| H45 | C28 | C37 | H60 | 26.3° | 60.0° |
| H45 | C28 | C37 | H61 | 145.5° | 180.0° |
| H45 | C28 | C38 | H62 | 175.9° | 60.0° |
| H45 | C28 | C38 | H63 | 65.1° | 180.0° |
| H46 | C29 | C38 | H62 | 83.5° | 180.0° |
| H46 | C29 | C38 | H63 | 157.5° | 60.0° |
| H46 | C29 | C39 | H64 | 147.5° | 180.0° |
| H46 | C29 | C39 | H65 | 28.5° | 60.0° |
| H47 | C29 | C38 | H62 | 35.6° | 60.0° |
| H47 | C29 | C38 | H63 | 83.5° | 180.0° |
| H47 | C29 | C39 | H64 | 93.5° | 60.0° |
| H47 | C29 | C39 | H65 | 147.5° | 180.0° |
| H48 | C30 | C39 | H64 | 133.9° | 180.0° |
| H48 | C30 | C39 | H65 | 14.9° | 60.0° |
| H48 | C30 | C40 | H66 | 122.7° | 180.0° |
| H48 | C30 | C40 | H67 | 118.2° | 59.9° |
| H49 | C30 | C39 | H64 | 106.9° | 60.0° |
| H49 | C30 | C39 | H65 | 134.0° | 180.0° |
| H49 | C30 | C40 | H66 | 3.6° | 59.9° |
| H49 | C30 | C40 | H67 | 122.7° | 180.0° |
| H50 | C31 | C40 | H66 | 29.7° | 180.0° |
| H50 | C31 | C40 | H67 | 89.4° | 59.9° |
| H50 | C31 | C41 | H68 | 167.8° | 180.0° |
| H50 | C31 | C41 | H69 | 73.2° | 59.9° |
| H51 | C31 | C40 | H66 | 148.7° | 59.9° |
| H51 | C31 | C40 | H67 | 29.7° | 180.0° |
| H51 | C31 | C41 | H68 | 48.7° | 59.9° |
| H51 | C31 | C41 | H69 | 167.7° | 180.0° |
| H52 | C32 | C41 | H68 | 112.0° | 180.0° |
| H52 | C32 | C41 | H69 | 7.0° | 59.9° |
| H52 | C32 | C42 | H70 | 144.9° | 180.0° |
| H52 | C32 | C42 | H71 | 96.0° | 60.0° |
| H53 | C32 | C41 | H68 | 128.9° | 60.0° |
| H53 | C32 | C41 | H69 | 112.1° | 180.0° |
| H53 | C32 | C42 | H70 | 25.8° | 60.0° |
| H53 | C32 | C42 | H71 | 144.9° | 180.0° |
| H54 | C33 | C42 | H70 | 124.1° | 60.0° |
| H54 | C33 | C42 | H71 | 116.8° | NaN° |
| H55 | C33 | C42 | H70 | 5.0° | 180.0° |
| H55 | C33 | C42 | H71 | 124.1° | 60.0° |
