NS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG | sing | 1.51Å | 1.52Å | |
| CB | CG | doub | 1.31Å | 1.52Å | |
| CB | CA | sing | 1.51Å | 1.52Å | |
| CD2 | CG | sing | 1.51Å | 1.53Å | |
| C | CA | sing | 1.53Å | 1.53Å | |
| C | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C9 | doub | 1.34Å | 1.53Å | |
| C9 | C10 | sing | 1.42Å | 1.53Å | |
| C11 | C10 | doub | 1.36Å | 1.53Å | |
| C11 | C12 | sing | 1.41Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | doub | 1.36Å | 1.51Å | |
| C14 | C15 | sing | 1.40Å | 1.52Å | |
| C15 | C16 | doub | 1.38Å | 1.52Å | |
| C16 | C17 | sing | 1.40Å | 1.52Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | doub | 1.38Å | 1.52Å | |
| C19 | C20 | sing | 1.40Å | 1.51Å | |
| C20 | C21 | doub | 1.38Å | 1.52Å | |
| C21 | C22 | sing | 1.40Å | 1.51Å | |
| C22 | C23 | doub | 1.36Å | 1.52Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | sing | 1.41Å | 1.51Å | |
| C25 | C26 | doub | 1.36Å | 1.51Å | |
| C26 | C27 | sing | 1.42Å | 1.51Å | |
| C27 | C28 | doub | 1.34Å | 1.51Å | |
| C28 | C30 | sing | 1.51Å | 1.52Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | doub | 1.31Å | 1.51Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C33 | C35 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C40 | C38 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | H1 | sing | 1.09Å | 1.10Å | |
| C39 | H2 | sing | 1.09Å | 1.10Å | |
| C39 | H3 | sing | 1.09Å | 1.10Å | |
| C38 | H4 | sing | 1.09Å | 1.10Å | |
| C40 | H5 | sing | 1.09Å | 1.10Å | |
| C40 | H6 | sing | 1.09Å | 1.10Å | |
| C40 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C36 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å | |
| C19 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C18 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H45 | sing | 1.08Å | 1.08Å | |
| C15 | H46 | sing | 1.08Å | 1.08Å | |
| C14 | H48 | sing | 1.08Å | 1.08Å | |
| C13 | H51 | sing | 1.09Å | 1.10Å | |
| C13 | H52 | sing | 1.09Å | 1.10Å | |
| C13 | H53 | sing | 1.09Å | 1.10Å | |
| C11 | H54 | sing | 1.08Å | 1.08Å | |
| C10 | H56 | sing | 1.08Å | 1.08Å | |
| C9 | H58 | sing | 1.08Å | 1.08Å | |
| C8 | H61 | sing | 1.09Å | 1.10Å | |
| C8 | H62 | sing | 1.09Å | 1.10Å | |
| C8 | H63 | sing | 1.09Å | 1.10Å | |
| C | H64 | sing | 1.09Å | 1.10Å | |
| C | H65 | sing | 1.09Å | 1.10Å | |
| CA | H66 | sing | 1.09Å | 1.10Å | |
| CA | H67 | sing | 1.09Å | 1.10Å | |
| CB | H68 | sing | 1.08Å | 1.08Å | |
| CD2 | H71 | sing | 1.09Å | 1.10Å | |
| CD2 | H72 | sing | 1.09Å | 1.10Å | |
| CD2 | H73 | sing | 1.09Å | 1.10Å | |
| CD1 | H74 | sing | 1.09Å | 1.10Å | |
| CD1 | H75 | sing | 1.09Å | 1.10Å | |
| CD1 | H76 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CG | CB | 109.1° | 120.0° |
| CD1 | CG | CD2 | 109.4° | 120.1° |
| CG | CD1 | H74 | 109.5° | 109.5° |
| CG | CD1 | H75 | 109.5° | 109.4° |
| CG | CD1 | H76 | 109.5° | 109.5° |
| CG | CB | CA | 109.7° | 120.0° |
| CB | CG | CD2 | 109.6° | 119.9° |
| CG | CB | H68 | 125.1° | 119.9° |
| CB | CA | C | 109.4° | 109.5° |
| CB | CA | H66 | 109.5° | 109.4° |
| CB | CA | H67 | 109.5° | 109.5° |
| CA | CB | H68 | 125.2° | 120.0° |
| CG | CD2 | H71 | 109.5° | 109.4° |
| CG | CD2 | H72 | 109.5° | 109.4° |
| CG | CD2 | H73 | 109.5° | 109.5° |
| CA | C | C7 | 108.6° | 109.5° |
| CA | C | H64 | 109.7° | 109.4° |
| CA | C | H65 | 109.7° | 109.5° |
| C | CA | H66 | 109.5° | 109.5° |
| C | CA | H67 | 109.5° | 109.5° |
| C | C7 | C8 | 120.0° | 120.0° |
| C | C7 | C9 | 120.0° | 120.0° |
| C7 | C | H64 | 109.7° | 109.5° |
| C7 | C | H65 | 109.7° | 109.5° |
| C8 | C7 | C9 | 120.0° | 120.0° |
| C7 | C8 | H61 | 109.5° | 109.4° |
| C7 | C8 | H62 | 109.5° | 109.5° |
| C7 | C8 | H63 | 109.5° | 109.5° |
| C7 | C9 | C10 | 114.4° | 120.0° |
| C7 | C9 | H58 | 122.8° | 120.0° |
| C9 | C10 | C11 | 110.7° | 120.0° |
| C9 | C10 | H56 | 124.7° | 120.0° |
| C10 | C9 | H58 | 122.8° | 120.0° |
| C10 | C11 | C12 | 106.1° | 120.0° |
| C10 | C11 | H54 | 127.0° | 120.0° |
| C11 | C10 | H56 | 124.6° | 120.0° |
| C11 | C12 | C13 | 120.7° | 120.0° |
| C11 | C12 | C14 | 118.9° | 119.9° |
| C12 | C11 | H54 | 126.9° | 120.0° |
| C13 | C12 | C14 | 120.3° | 120.0° |
| C12 | C13 | H51 | 109.5° | 109.5° |
| C12 | C13 | H52 | 109.5° | 109.4° |
| C12 | C13 | H53 | 109.5° | 109.4° |
| C12 | C14 | C15 | 114.8° | 119.9° |
| C12 | C14 | H48 | 122.6° | 120.1° |
| C14 | C15 | C16 | 113.2° | 120.0° |
| C14 | C15 | H46 | 123.4° | 120.1° |
| C15 | C14 | H48 | 122.6° | 120.0° |
| C15 | C16 | C17 | 115.3° | 120.0° |
| C15 | C16 | H45 | 122.3° | 120.0° |
| C16 | C15 | H46 | 123.4° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C16 | C17 | C19 | 119.4° | 120.0° |
| C17 | C16 | H45 | 122.4° | 120.0° |
| C18 | C17 | C19 | 120.1° | 120.0° |
| C17 | C18 | H42 | 109.5° | 109.5° |
| C17 | C18 | H43 | 109.5° | 109.5° |
| C17 | C18 | H44 | 109.5° | 109.4° |
| C17 | C19 | C20 | 113.5° | 120.0° |
| C17 | C19 | H40 | 123.2° | 120.0° |
| C19 | C20 | C21 | 115.7° | 120.0° |
| C19 | C20 | H38 | 122.2° | 120.0° |
| C20 | C19 | H40 | 123.2° | 120.0° |
| C20 | C21 | C22 | 111.1° | 120.0° |
| C20 | C21 | H36 | 124.4° | 120.0° |
| C21 | C20 | H38 | 122.2° | 119.9° |
| C21 | C22 | C23 | 118.3° | 120.0° |
| C21 | C22 | H35 | 120.9° | 120.0° |
| C22 | C21 | H36 | 124.4° | 120.0° |
| C22 | C23 | C24 | 122.0° | 120.0° |
| C22 | C23 | C25 | 115.8° | 120.0° |
| C23 | C22 | H35 | 120.8° | 120.0° |
| C24 | C23 | C25 | 122.2° | 120.0° |
| C23 | C24 | H32 | 109.5° | 109.5° |
| C23 | C24 | H33 | 109.5° | 109.4° |
| C23 | C24 | H34 | 109.5° | 109.4° |
| C23 | C25 | C26 | 120.8° | 120.0° |
| C23 | C25 | H30 | 119.6° | 119.9° |
| C25 | C26 | C27 | 107.2° | 120.0° |
| C25 | C26 | H28 | 126.4° | 120.0° |
| C26 | C25 | H30 | 119.6° | 120.0° |
| C26 | C27 | C28 | 119.9° | 120.0° |
| C26 | C27 | H26 | 120.1° | 120.0° |
| C27 | C26 | H28 | 126.4° | 120.0° |
| C27 | C28 | C30 | 116.3° | 120.0° |
| C27 | C28 | C29 | 121.4° | 120.0° |
| C28 | C27 | H26 | 120.0° | 120.0° |
| C30 | C28 | C29 | 122.3° | 120.0° |
| C28 | C30 | C31 | 118.1° | 109.5° |
| C28 | C30 | H22 | 107.3° | 109.5° |
| C28 | C30 | H14 | 107.3° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.5° | 109.4° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C30 | C31 | C32 | 111.8° | 109.5° |
| C30 | C31 | H20 | 108.9° | 109.5° |
| C30 | C31 | H21 | 108.9° | 109.5° |
| C31 | C30 | H22 | 107.3° | 109.5° |
| C31 | C30 | H14 | 107.3° | 109.4° |
| C31 | C32 | C33 | 113.7° | 120.0° |
| C31 | C32 | H18 | 123.1° | 120.0° |
| C32 | C31 | H20 | 108.9° | 109.4° |
| C32 | C31 | H21 | 108.9° | 109.4° |
| C32 | C33 | C35 | 120.3° | 120.0° |
| C32 | C33 | C34 | 119.3° | 120.0° |
| C33 | C32 | H18 | 123.1° | 120.0° |
| C36 | C37 | C38 | 114.7° | 109.5° |
| C37 | C36 | C35 | 107.2° | 109.5° |
| C36 | C37 | H8 | 108.2° | 109.5° |
| C36 | C37 | H9 | 108.1° | 109.5° |
| C37 | C36 | H10 | 110.0° | 109.5° |
| C37 | C36 | H11 | 110.0° | 109.4° |
| C37 | C38 | C40 | 119.7° | 109.5° |
| C37 | C38 | C39 | 120.2° | 109.4° |
| C37 | C38 | H4 | 90.1° | 109.4° |
| C38 | C37 | H8 | 108.1° | 109.4° |
| C38 | C37 | H9 | 108.2° | 109.4° |
| C35 | C33 | C34 | 120.4° | 120.0° |
| C33 | C35 | C36 | 109.3° | 109.5° |
| C33 | C35 | H12 | 109.5° | 109.4° |
| C33 | C35 | H13 | 109.5° | 109.4° |
| C33 | C34 | H15 | 109.5° | 109.4° |
| C33 | C34 | H16 | 109.5° | 109.4° |
| C33 | C34 | H17 | 109.5° | 109.5° |
| C35 | C36 | H10 | 110.1° | 109.5° |
| C35 | C36 | H11 | 110.0° | 109.5° |
| C36 | C35 | H12 | 109.5° | 109.5° |
| C36 | C35 | H13 | 109.6° | 109.5° |
| C40 | C38 | C39 | 120.2° | 109.5° |
| C40 | C38 | H4 | 90.1° | 109.5° |
| C38 | C40 | H5 | 109.5° | 109.5° |
| C38 | C40 | H6 | 109.5° | 109.5° |
| C38 | C40 | H7 | 109.5° | 109.5° |
| C38 | C39 | H1 | 109.5° | 109.5° |
| C38 | C39 | H2 | 109.5° | 109.5° |
| C38 | C39 | H3 | 109.4° | 109.5° |
| C39 | C38 | H4 | 90.0° | 109.5° |
| H1 | C39 | H2 | 109.5° | 109.4° |
| H1 | C39 | H3 | 109.4° | 109.5° |
| H2 | C39 | H3 | 109.5° | 109.5° |
| H5 | C40 | H6 | 109.5° | 109.5° |
| H5 | C40 | H7 | 109.4° | 109.4° |
| H6 | C40 | H7 | 109.5° | 109.4° |
| H8 | C37 | H9 | 109.5° | 109.5° |
| H10 | C36 | H11 | 109.5° | 109.5° |
| H12 | C35 | H13 | 109.5° | 109.4° |
| H15 | C34 | H16 | 109.5° | 109.5° |
| H15 | C34 | H17 | 109.4° | 109.5° |
| H16 | C34 | H17 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.4° |
| H22 | C30 | H14 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.4° | 109.5° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H32 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H42 | C18 | H43 | 109.5° | 109.5° |
| H42 | C18 | H44 | 109.5° | 109.5° |
| H43 | C18 | H44 | 109.4° | 109.4° |
| H51 | C13 | H52 | 109.4° | 109.5° |
| H51 | C13 | H53 | 109.5° | 109.5° |
| H52 | C13 | H53 | 109.4° | 109.5° |
| H61 | C8 | H62 | 109.5° | 109.4° |
| H61 | C8 | H63 | 109.4° | 109.4° |
| H62 | C8 | H63 | 109.5° | 109.5° |
| H64 | C | H65 | 109.5° | 109.5° |
| H66 | CA | H67 | 109.5° | 109.4° |
| H71 | CD2 | H72 | 109.5° | 109.5° |
| H71 | CD2 | H73 | 109.4° | 109.5° |
| H72 | CD2 | H73 | 109.5° | 109.5° |
| H74 | CD1 | H75 | 109.5° | 109.5° |
| H74 | CD1 | H76 | 109.4° | 109.5° |
| H75 | CD1 | H76 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CG | CB | CD2 | 119.7° | 180.0° |
| CD1 | CG | CB | CA | 88.5° | 174.0° |
| CD1 | CG | CB | H68 | 91.5° | 6.0° |
| CD1 | CG | CD2 | H71 | 180.0° | 95.0° |
| CD1 | CG | CD2 | H72 | 60.0° | 24.9° |
| CD1 | CG | CD2 | H73 | 60.0° | 144.9° |
| CG | CD1 | H74 | H75 | 120.0° | 120.0° |
| CG | CD1 | H74 | H76 | 120.0° | 120.0° |
| CG | CD1 | H75 | H76 | 120.0° | 120.0° |
| CG | CB | CA | H68 | 180.0° | 180.0° |
| CG | CB | CA | C | 179.9° | 121.4° |
| CG | CB | CA | H66 | 60.1° | 1.3° |
| CG | CB | CA | H67 | 59.9° | 118.6° |
| CB | CG | CD2 | H71 | 60.4° | 85.0° |
| CB | CG | CD2 | H72 | 59.6° | 155.1° |
| CB | CG | CD2 | H73 | 179.6° | 35.1° |
| CB | CG | CD1 | H74 | 180.0° | 0.0° |
| CB | CG | CD1 | H75 | 60.0° | 120.0° |
| CB | CG | CD1 | H76 | 60.0° | 120.0° |
| CA | CB | CG | CD2 | 151.8° | 6.0° |
| CB | CA | C | H66 | 120.0° | 120.0° |
| CB | CA | C | H67 | 120.0° | 120.0° |
| CB | CA | C | C7 | 141.0° | 180.0° |
| CB | CA | C | H64 | 99.1° | 60.0° |
| CB | CA | C | H65 | 21.2° | 60.0° |
| CB | CA | H66 | H67 | 120.0° | 119.9° |
| CD2 | CG | CB | H68 | 28.3° | 174.0° |
| CG | CD2 | H71 | H72 | 120.0° | 119.9° |
| CG | CD2 | H71 | H73 | 120.0° | 120.0° |
| CG | CD2 | H72 | H73 | 120.0° | 120.0° |
| CD2 | CG | CD1 | H74 | 60.1° | 180.0° |
| CD2 | CG | CD1 | H75 | 59.9° | 60.0° |
| CD2 | CG | CD1 | H76 | 179.9° | 60.0° |
| CA | C | C7 | H64 | 119.9° | 120.0° |
| CA | C | C7 | H65 | 119.9° | 120.0° |
| CA | C | C7 | C8 | 77.8° | 85.0° |
| CA | C | C7 | C9 | 101.1° | 95.0° |
| CA | C | H64 | H65 | 120.5° | 120.0° |
| C | CA | H66 | H67 | 120.0° | 120.0° |
| C | CA | CB | H68 | 0.1° | 58.7° |
| C | C7 | C8 | C9 | 178.9° | 180.0° |
| C | C7 | C9 | C10 | 178.8° | 180.0° |
| C | C7 | C9 | H58 | 1.2° | 0.0° |
| C | C7 | C8 | H61 | 180.0° | 90.0° |
| C | C7 | C8 | H62 | 60.0° | 29.9° |
| C | C7 | C8 | H63 | 60.0° | 150.0° |
| C7 | C | H64 | H65 | 120.4° | 120.0° |
| C7 | C | CA | H66 | 21.0° | 60.0° |
| C7 | C | CA | H67 | 99.0° | 60.0° |
| C8 | C7 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C9 | H58 | 179.9° | 179.9° |
| C7 | C8 | H61 | H62 | 120.0° | 120.0° |
| C7 | C8 | H61 | H63 | 120.0° | 120.0° |
| C7 | C8 | H62 | H63 | 120.0° | 120.1° |
| C8 | C7 | C | H64 | 42.1° | 35.0° |
| C8 | C7 | C | H65 | 162.4° | 155.1° |
| C7 | C9 | C10 | H58 | 180.0° | 179.9° |
| C7 | C9 | C10 | C11 | 81.7° | 180.0° |
| C7 | C9 | C10 | H56 | 98.3° | 0.0° |
| C9 | C7 | C8 | H61 | 1.1° | 90.0° |
| C9 | C7 | C8 | H62 | 118.9° | 150.0° |
| C9 | C7 | C8 | H63 | 121.1° | 30.0° |
| C9 | C7 | C | H64 | 139.0° | 145.0° |
| C9 | C7 | C | H65 | 18.7° | 25.0° |
| C9 | C10 | C11 | H56 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 143.9° | 180.0° |
| C9 | C10 | C11 | H54 | 36.1° | 0.0° |
| C10 | C11 | C12 | H54 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 124.1° | 0.0° |
| C10 | C11 | C12 | C14 | 53.2° | 180.0° |
| C11 | C10 | C9 | H58 | 98.2° | 0.1° |
| C11 | C12 | C13 | C14 | 177.2° | 180.0° |
| C11 | C12 | C14 | C15 | 178.9° | 180.0° |
| C11 | C12 | C14 | H48 | 1.1° | 0.0° |
| C11 | C12 | C13 | H51 | 180.0° | 90.0° |
| C11 | C12 | C13 | H52 | 60.0° | 30.0° |
| C11 | C12 | C13 | H53 | 60.0° | 150.0° |
| C12 | C11 | C10 | H56 | 36.1° | 0.0° |
| C13 | C12 | C14 | C15 | 1.6° | 0.0° |
| C13 | C12 | C14 | H48 | 178.4° | 180.0° |
| C12 | C13 | H51 | H52 | 120.0° | 120.0° |
| C12 | C13 | H51 | H53 | 120.0° | 120.0° |
| C12 | C13 | H52 | H53 | 120.0° | 119.9° |
| C13 | C12 | C11 | H54 | 55.9° | 180.0° |
| C12 | C14 | C15 | H48 | 180.0° | 180.0° |
| C12 | C14 | C15 | C16 | 179.4° | 180.0° |
| C12 | C14 | C15 | H46 | 0.7° | 0.0° |
| C14 | C12 | C13 | H51 | 2.8° | 90.0° |
| C14 | C12 | C13 | H52 | 122.8° | 150.0° |
| C14 | C12 | C13 | H53 | 117.3° | 30.1° |
| C14 | C12 | C11 | H54 | 126.8° | 0.0° |
| C14 | C15 | C16 | H46 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H45 | 0.1° | 0.0° |
| C15 | C16 | C17 | H45 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.7° | 0.0° |
| C15 | C16 | C17 | C19 | 179.8° | NaN° |
| C16 | C15 | C14 | H48 | 0.6° | 0.0° |
| C16 | C17 | C18 | C19 | 179.1° | 180.0° |
| C16 | C17 | C19 | C20 | 179.7° | 180.0° |
| C16 | C17 | C19 | H40 | 0.3° | 0.0° |
| C16 | C17 | C18 | H42 | 180.0° | 90.0° |
| C16 | C17 | C18 | H43 | 60.0° | 30.0° |
| C16 | C17 | C18 | H44 | 60.0° | 150.0° |
| C17 | C16 | C15 | H46 | 0.1° | 0.0° |
| C18 | C17 | C19 | C20 | 0.7° | 0.0° |
| C18 | C17 | C19 | H40 | 179.3° | 180.0° |
| C17 | C18 | H42 | H43 | 120.0° | 120.0° |
| C17 | C18 | H42 | H44 | 120.0° | 120.0° |
| C17 | C18 | H43 | H44 | 120.0° | 120.0° |
| C18 | C17 | C16 | H45 | 179.3° | 180.0° |
| C17 | C19 | C20 | H40 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 180.0° | 179.9° |
| C17 | C19 | C20 | H38 | 0.0° | 0.0° |
| C19 | C17 | C18 | H42 | 0.9° | 90.0° |
| C19 | C17 | C18 | H43 | 120.9° | 150.0° |
| C19 | C17 | C18 | H44 | 119.1° | 30.0° |
| C19 | C17 | C16 | H45 | 0.2° | 0.0° |
| C19 | C20 | C21 | H38 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.7° | 180.0° |
| C19 | C20 | C21 | H36 | 0.4° | 0.1° |
| C20 | C21 | C22 | H36 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.8° | 180.0° |
| C20 | C21 | C22 | H35 | 0.2° | 0.1° |
| C21 | C20 | C19 | H40 | 0.0° | 0.0° |
| C21 | C22 | C23 | H35 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C23 | C25 | 179.8° | 179.9° |
| C22 | C21 | C20 | H38 | 0.3° | 0.1° |
| C22 | C23 | C24 | C25 | 179.3° | 180.0° |
| C22 | C23 | C25 | C26 | 179.5° | 180.0° |
| C22 | C23 | C25 | H30 | 0.5° | 0.0° |
| C22 | C23 | C24 | H32 | 180.0° | 90.0° |
| C22 | C23 | C24 | H33 | 60.0° | 30.1° |
| C22 | C23 | C24 | H34 | 60.0° | 150.0° |
| C23 | C22 | C21 | H36 | 0.3° | 0.1° |
| C24 | C23 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | C25 | H30 | 179.8° | 180.0° |
| C23 | C24 | H32 | H33 | 120.0° | 120.0° |
| C23 | C24 | H32 | H34 | 120.0° | 120.0° |
| C23 | C24 | H33 | H34 | 120.0° | 119.9° |
| C24 | C23 | C22 | H35 | 179.6° | 180.0° |
| C23 | C25 | C26 | H30 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 179.8° | 180.0° |
| C23 | C25 | C26 | H28 | 0.2° | 0.0° |
| C25 | C23 | C24 | H32 | 0.7° | 90.0° |
| C25 | C23 | C24 | H33 | 120.7° | 150.0° |
| C25 | C23 | C24 | H34 | 119.3° | 30.0° |
| C25 | C23 | C22 | H35 | 0.2° | 0.1° |
| C25 | C26 | C27 | H28 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | H26 | 180.0° | 180.0° |
| C26 | C27 | C28 | C30 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C27 | C26 | C25 | H30 | 0.2° | 0.0° |
| C27 | C28 | C30 | C29 | 179.8° | 179.9° |
| C27 | C28 | C30 | C31 | 179.9° | 95.0° |
| C27 | C28 | C30 | H22 | 58.7° | 25.0° |
| C27 | C28 | C29 | H23 | 180.0° | 90.0° |
| C27 | C28 | C29 | H24 | 60.0° | 30.0° |
| C27 | C28 | C29 | H25 | 60.0° | 150.0° |
| C28 | C27 | C26 | H28 | 0.2° | 0.0° |
| C27 | C28 | C30 | H14 | 58.8° | 145.0° |
| C28 | C30 | C31 | H22 | 121.2° | 120.0° |
| C28 | C30 | C31 | H14 | 121.2° | 120.0° |
| C28 | C30 | C31 | C32 | 179.8° | 180.0° |
| C28 | C30 | C31 | H20 | 59.9° | 60.0° |
| C28 | C30 | C31 | H21 | 59.4° | 60.0° |
| C28 | C30 | H22 | H14 | 116.1° | 120.0° |
| C30 | C28 | C29 | H23 | 0.2° | 90.0° |
| C30 | C28 | C29 | H24 | 120.3° | 150.0° |
| C30 | C28 | C29 | H25 | 119.8° | 30.0° |
| C30 | C28 | C27 | H26 | 0.0° | 0.0° |
| C29 | C28 | C30 | C31 | 0.1° | 85.0° |
| C29 | C28 | C30 | H22 | 121.1° | 155.0° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H25 | 120.0° | 120.0° |
| C28 | C29 | H24 | H25 | 120.0° | 120.0° |
| C29 | C28 | C27 | H26 | 179.8° | 180.0° |
| C29 | C28 | C30 | H14 | 121.4° | 35.0° |
| C30 | C31 | C32 | H20 | 120.4° | 120.1° |
| C30 | C31 | C32 | H21 | 120.4° | 120.0° |
| C30 | C31 | C32 | C33 | 179.9° | 119.2° |
| C30 | C31 | C32 | H18 | 0.1° | 60.8° |
| C30 | C31 | H20 | H21 | 118.9° | 120.0° |
| C31 | C30 | H22 | H14 | 116.1° | 119.9° |
| C31 | C32 | C33 | H18 | 180.0° | 179.9° |
| C31 | C32 | C33 | C35 | 179.9° | 174.4° |
| C31 | C32 | C33 | C34 | 0.1° | 5.5° |
| C32 | C31 | H20 | H21 | 118.9° | 119.9° |
| C32 | C31 | C30 | H22 | 58.5° | 60.0° |
| C32 | C31 | C30 | H14 | 59.0° | 60.0° |
| C32 | C33 | C35 | C34 | 180.0° | 179.9° |
| C32 | C33 | C35 | C36 | 64.3° | 95.0° |
| C32 | C33 | C35 | H12 | 55.7° | 25.1° |
| C32 | C33 | C35 | H13 | 175.7° | 145.0° |
| C32 | C33 | C34 | H15 | 180.0° | 175.0° |
| C32 | C33 | C34 | H16 | 60.0° | 65.0° |
| C32 | C33 | C34 | H17 | 60.0° | 55.0° |
| C33 | C32 | C31 | H20 | 59.7° | 120.8° |
| C33 | C32 | C31 | H21 | 59.5° | 0.9° |
| C36 | C37 | C38 | H8 | 120.8° | 120.0° |
| C36 | C37 | C38 | H9 | 120.7° | 120.0° |
| C37 | C36 | C35 | C33 | 143.5° | 180.0° |
| C37 | C36 | C35 | H10 | 119.6° | 120.0° |
| C37 | C36 | C35 | H11 | 119.6° | 120.0° |
| C36 | C37 | C38 | C40 | 179.6° | 175.0° |
| C36 | C37 | C38 | C39 | 0.2° | 65.0° |
| C36 | C37 | C38 | H4 | 90.3° | 55.0° |
| C36 | C37 | H8 | H9 | 117.6° | 120.0° |
| C37 | C36 | H10 | H11 | 121.0° | 120.0° |
| C37 | C36 | C35 | H12 | 23.6° | 60.0° |
| C37 | C36 | C35 | H13 | 96.5° | 60.0° |
| C38 | C37 | C36 | C35 | 122.2° | 180.0° |
| C37 | C38 | C40 | C39 | 179.8° | 120.0° |
| C37 | C38 | C40 | H4 | 90.1° | 120.0° |
| C37 | C38 | C39 | H4 | 90.1° | 119.9° |
| C37 | C38 | C39 | H1 | 180.0° | 180.0° |
| C37 | C38 | C39 | H2 | 60.0° | 60.0° |
| C37 | C38 | C39 | H3 | 60.0° | 60.0° |
| C37 | C38 | C40 | H5 | 180.0° | 60.0° |
| C37 | C38 | C40 | H6 | 60.0° | 60.0° |
| C37 | C38 | C40 | H7 | 60.0° | 180.0° |
| C38 | C37 | H8 | H9 | 117.7° | 120.0° |
| C38 | C37 | C36 | H10 | 118.1° | 60.0° |
| C38 | C37 | C36 | H11 | 2.6° | 60.0° |
| C33 | C35 | C36 | H12 | 119.9° | 120.0° |
| C33 | C35 | C36 | H13 | 120.0° | 120.0° |
| C33 | C35 | C36 | H10 | 23.9° | 60.0° |
| C33 | C35 | C36 | H11 | 96.8° | 60.0° |
| C33 | C35 | H12 | H13 | 120.1° | 119.9° |
| C35 | C33 | C34 | H15 | 0.0° | 5.0° |
| C35 | C33 | C34 | H16 | 120.0° | 114.9° |
| C35 | C33 | C34 | H17 | 120.0° | 125.1° |
| C35 | C33 | C32 | H18 | 0.1° | 5.5° |
| C34 | C33 | C35 | C36 | 115.7° | 85.0° |
| C34 | C33 | C35 | H12 | 124.3° | 155.0° |
| C34 | C33 | C35 | H13 | 4.3° | 35.1° |
| C33 | C34 | H15 | H16 | 120.0° | 119.9° |
| C33 | C34 | H15 | H17 | 120.0° | 120.0° |
| C33 | C34 | H16 | H17 | 120.0° | 120.0° |
| C34 | C33 | C32 | H18 | 179.9° | 174.5° |
| C35 | C36 | C37 | H8 | 117.0° | 60.0° |
| C35 | C36 | C37 | H9 | 1.5° | 60.0° |
| C35 | C36 | H10 | H11 | 121.1° | 120.0° |
| C36 | C35 | H12 | H13 | 120.1° | 120.1° |
| C40 | C38 | C39 | H4 | 90.1° | 120.1° |
| C40 | C38 | C39 | H1 | 0.2° | 60.1° |
| C40 | C38 | C39 | H2 | 119.8° | 180.0° |
| C40 | C38 | C39 | H3 | 120.1° | 60.0° |
| C38 | C40 | H5 | H6 | 120.0° | 120.1° |
| C38 | C40 | H5 | H7 | 120.0° | 120.0° |
| C38 | C40 | H6 | H7 | 120.0° | 120.0° |
| C40 | C38 | C37 | H8 | 59.6° | 55.0° |
| C40 | C38 | C37 | H9 | 58.9° | 65.0° |
| C38 | C39 | H1 | H2 | 120.0° | 120.0° |
| C38 | C39 | H1 | H3 | 120.0° | 120.0° |
| C38 | C39 | H2 | H3 | 120.0° | 120.1° |
| C39 | C38 | C40 | H5 | 0.2° | 60.0° |
| C39 | C38 | C40 | H6 | 120.2° | 180.0° |
| C39 | C38 | C40 | H7 | 119.8° | 60.0° |
| C39 | C38 | C37 | H8 | 120.5° | 175.0° |
| C39 | C38 | C37 | H9 | 121.0° | 55.0° |
| H1 | C39 | H2 | H3 | 120.0° | 120.0° |
| H1 | C39 | C38 | H4 | 89.9° | 60.0° |
| H2 | C39 | C38 | H4 | 150.1° | 59.9° |
| H3 | C39 | C38 | H4 | 30.1° | 180.0° |
| H4 | C38 | C40 | H5 | 89.9° | 180.0° |
| H4 | C38 | C40 | H6 | 30.1° | 59.9° |
| H4 | C38 | C40 | H7 | 150.1° | 60.0° |
| H4 | C38 | C37 | H8 | 30.5° | 65.0° |
| H4 | C38 | C37 | H9 | 149.0° | 175.0° |
| H5 | C40 | H6 | H7 | 120.0° | 119.9° |
| H8 | C37 | C36 | H10 | 2.7° | 179.9° |
| H8 | C37 | C36 | H11 | 123.4° | 60.0° |
| H9 | C37 | C36 | H10 | 121.1° | 60.0° |
| H9 | C37 | C36 | H11 | 118.1° | 180.0° |
| H10 | C36 | C35 | H12 | 96.1° | NaN° |
| H10 | C36 | C35 | H13 | 143.8° | 60.0° |
| H11 | C36 | C35 | H12 | 143.2° | 60.0° |
| H11 | C36 | C35 | H13 | 23.1° | 180.0° |
| H15 | C34 | H16 | H17 | 119.9° | 120.1° |
| H18 | C32 | C31 | H20 | 120.3° | 59.3° |
| H18 | C32 | C31 | H21 | 120.5° | 179.2° |
| H20 | C31 | C30 | H22 | 178.9° | 180.0° |
| H20 | C31 | C30 | H14 | 61.4° | 60.0° |
| H21 | C31 | C30 | H22 | 61.8° | 60.0° |
| H21 | C31 | C30 | H14 | 179.3° | 180.0° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
| H26 | C27 | C26 | H28 | 179.8° | 180.0° |
| H28 | C26 | C25 | H30 | 179.7° | 180.0° |
| H32 | C24 | H33 | H34 | 120.0° | 120.1° |
| H35 | C22 | C21 | H36 | 179.7° | 180.0° |
| H36 | C21 | C20 | H38 | 179.6° | 179.9° |
| H38 | C20 | C19 | H40 | 179.9° | 180.0° |
| H42 | C18 | H43 | H44 | 120.0° | 120.0° |
| H45 | C16 | C15 | H46 | 179.9° | NaN° |
| H46 | C15 | C14 | H48 | 179.4° | 180.0° |
| H51 | C13 | H52 | H53 | 120.0° | 120.0° |
| H54 | C11 | C10 | H56 | 143.9° | 180.0° |
| H56 | C10 | C9 | H58 | 81.7° | 179.9° |
| H61 | C8 | H62 | H63 | 119.9° | 120.0° |
| H64 | C | CA | H66 | 140.9° | 180.0° |
| H64 | C | CA | H67 | 20.8° | 60.0° |
| H65 | C | CA | H66 | 98.8° | 60.0° |
| H65 | C | CA | H67 | 141.1° | 180.0° |
| H66 | CA | CB | H68 | 119.9° | 178.7° |
| H67 | CA | CB | H68 | 120.0° | 61.4° |
| H71 | CD2 | H72 | H73 | 120.0° | 120.0° |
| H74 | CD1 | H75 | H76 | 120.0° | 120.0° |
