YNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C24 | doub | 1.21Å | 1.26Å | |
| C24 | C23 | sing | 1.51Å | 1.54Å | |
| C24 | O25 | sing | 1.34Å | 1.26Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| O17 | C09 | sing | 1.36Å | 1.43Å | |
| CL16 | C10 | sing | 1.74Å | 1.78Å | |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | CL15 | sing | 1.74Å | 1.78Å | |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C07 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.68Å | |
| C12 | C13 | sing | 1.47Å | 1.47Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C13 | O14 | doub | 1.21Å | 1.18Å | |
| C13 | C05 | sing | 1.51Å | 1.42Å | |
| C28 | C27 | sing | 1.55Å | 1.37Å | |
| C28 | C29 | sing | 1.54Å | 1.66Å | |
| C05 | C27 | sing | 1.53Å | 1.57Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C27 | C31 | sing | 1.55Å | 1.60Å | |
| C29 | C30 | sing | 1.54Å | 1.36Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.54Å | 1.60Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| O25 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C24 | C23 | 120.1° | 120.0° |
| O26 | C24 | O25 | 120.1° | 120.0° |
| C23 | C24 | O25 | 119.8° | 120.0° |
| C24 | C23 | C22 | 112.9° | 109.5° |
| C24 | C23 | H11 | 108.6° | 109.5° |
| C24 | C23 | H12 | 108.6° | 109.5° |
| C24 | O25 | H34 | 109.5° | 117.0° |
| C23 | C22 | C21 | 113.0° | 109.5° |
| C23 | C22 | H9 | 108.6° | 109.4° |
| C23 | C22 | H10 | 108.6° | 109.5° |
| C22 | C23 | H11 | 108.6° | 109.4° |
| C22 | C23 | H12 | 108.6° | 109.4° |
| C22 | C21 | C20 | 111.5° | 109.5° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C22 | C21 | H8 | 109.0° | 109.4° |
| C21 | C22 | H9 | 108.6° | 109.5° |
| C21 | C22 | H10 | 108.6° | 109.5° |
| C21 | C20 | C19 | 112.3° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 109.0° | 109.5° |
| C20 | C21 | H8 | 109.0° | 109.4° |
| C20 | C19 | C18 | 112.7° | 109.5° |
| C20 | C19 | H3 | 108.6° | 109.5° |
| C20 | C19 | H4 | 108.6° | 109.4° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.5° |
| C19 | C18 | O17 | 108.2° | 109.5° |
| C19 | C18 | H1 | 109.8° | 109.5° |
| C19 | C18 | H2 | 109.8° | 109.5° |
| C18 | C19 | H3 | 108.7° | 109.5° |
| C18 | C19 | H4 | 108.7° | 109.5° |
| C18 | O17 | C09 | 113.7° | 117.0° |
| O17 | C18 | H1 | 109.8° | 109.6° |
| O17 | C18 | H2 | 109.8° | 109.4° |
| O17 | C09 | C10 | 119.9° | 120.0° |
| O17 | C09 | C08 | 120.1° | 119.9° |
| CL16 | C10 | C09 | 120.3° | 120.0° |
| CL16 | C10 | C11 | 119.6° | 120.1° |
| C10 | C09 | C08 | 119.9° | 120.1° |
| C09 | C10 | C11 | 120.1° | 119.9° |
| C09 | C08 | C07 | 120.1° | 120.5° |
| C09 | C08 | H26 | 120.0° | 119.8° |
| C10 | C11 | CL15 | 119.0° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C08 | C07 | C12 | 120.2° | 120.1° |
| C08 | C07 | C06 | 133.3° | 130.4° |
| C07 | C08 | H26 | 120.0° | 119.7° |
| CL15 | C11 | C12 | 120.9° | 120.0° |
| C11 | C12 | C07 | 119.6° | 119.4° |
| C11 | C12 | C13 | 134.2° | 129.9° |
| C12 | C07 | C06 | 106.5° | 109.5° |
| C07 | C12 | C13 | 106.2° | 110.7° |
| C07 | C06 | C05 | 104.8° | 106.3° |
| C07 | C06 | H24 | 110.6° | 110.1° |
| C07 | C06 | H25 | 110.6° | 110.1° |
| C12 | C13 | O14 | 120.0° | 126.0° |
| C12 | C13 | C05 | 118.4° | 108.2° |
| C06 | C05 | C13 | 104.0° | 105.3° |
| C06 | C05 | C27 | 108.4° | 110.3° |
| C06 | C05 | C04 | 109.8° | 110.3° |
| C05 | C06 | H24 | 110.6° | 110.1° |
| C05 | C06 | H25 | 110.6° | 110.1° |
| O14 | C13 | C05 | 121.6° | 125.9° |
| C13 | C05 | C27 | 113.9° | 110.3° |
| C13 | C05 | C04 | 110.6° | 110.3° |
| C27 | C28 | C29 | 106.7° | 104.2° |
| C28 | C27 | C05 | 113.8° | 110.8° |
| C28 | C27 | C31 | 106.4° | 102.7° |
| C28 | C27 | H27 | 109.6° | 110.9° |
| C27 | C28 | H28 | 110.2° | 110.5° |
| C27 | C28 | H29 | 110.1° | 110.4° |
| C28 | C29 | C30 | 106.7° | 106.6° |
| C28 | C29 | H13 | 110.2° | 110.0° |
| C28 | C29 | H14 | 110.2° | 110.1° |
| C29 | C28 | H28 | 110.2° | 110.5° |
| C29 | C28 | H29 | 110.2° | 110.5° |
| C27 | C05 | C04 | 109.9° | 110.2° |
| C05 | C27 | C31 | 113.0° | 110.8° |
| C05 | C27 | H27 | 107.0° | 110.7° |
| C05 | C04 | C03 | 114.2° | 109.5° |
| C05 | C04 | H22 | 108.3° | 109.5° |
| C05 | C04 | H23 | 108.3° | 109.5° |
| C04 | C03 | C02 | 112.0° | 109.5° |
| C04 | C03 | H20 | 108.8° | 109.5° |
| C04 | C03 | H21 | 108.9° | 109.5° |
| C03 | C04 | H22 | 108.3° | 109.5° |
| C03 | C04 | H23 | 108.3° | 109.4° |
| C03 | C02 | C01 | 112.5° | 109.5° |
| C03 | C02 | H18 | 108.7° | 109.5° |
| C03 | C02 | H19 | 108.7° | 109.4° |
| C02 | C03 | H20 | 108.8° | 109.5° |
| C02 | C03 | H21 | 108.8° | 109.4° |
| C27 | C31 | C30 | 105.8° | 104.2° |
| C31 | C27 | H27 | 106.8° | 110.8° |
| C27 | C31 | H32 | 110.4° | 110.5° |
| C27 | C31 | H33 | 110.4° | 110.5° |
| C29 | C30 | C31 | 105.3° | 106.6° |
| C30 | C29 | H13 | 110.1° | 110.1° |
| C30 | C29 | H14 | 110.2° | 110.1° |
| C29 | C30 | H30 | 110.5° | 110.0° |
| C29 | C30 | H31 | 110.5° | 110.1° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C01 | C02 | H18 | 108.7° | 109.5° |
| C01 | C02 | H19 | 108.7° | 109.5° |
| C31 | C30 | H30 | 110.5° | 110.0° |
| C31 | C30 | H31 | 110.5° | 110.0° |
| C30 | C31 | H32 | 110.4° | 110.5° |
| C30 | C31 | H33 | 110.4° | 110.5° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.4° | 109.5° |
| H13 | C29 | H14 | 109.5° | 110.0° |
| H15 | C01 | H16 | 109.5° | 109.4° |
| H15 | C01 | H17 | 109.4° | 109.5° |
| H16 | C01 | H17 | 109.5° | 109.4° |
| H18 | C02 | H19 | 109.5° | 109.5° |
| H20 | C03 | H21 | 109.5° | 109.4° |
| H22 | C04 | H23 | 109.5° | 109.4° |
| H24 | C06 | H25 | 109.5° | 110.0° |
| H28 | C28 | H29 | 109.5° | 110.5° |
| H30 | C30 | H31 | 109.5° | 110.0° |
| H32 | C31 | H33 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C24 | C23 | O25 | 180.0° | 180.0° |
| O26 | C24 | C23 | C22 | 71.0° | 0.0° |
| O26 | C24 | C23 | H11 | 168.4° | 120.0° |
| O26 | C24 | C23 | H12 | 49.5° | 120.0° |
| O26 | C24 | O25 | H34 | 0.0° | 0.0° |
| C24 | C23 | C22 | H11 | 120.5° | 120.0° |
| C24 | C23 | C22 | H12 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 35.2° | 180.0° |
| C24 | C23 | C22 | H9 | 155.7° | 60.0° |
| C24 | C23 | C22 | H10 | 85.4° | 60.0° |
| C24 | C23 | H11 | H12 | 118.4° | 120.1° |
| C23 | C24 | O25 | H34 | 180.0° | 180.0° |
| O25 | C24 | C23 | C22 | 109.0° | 180.0° |
| O25 | C24 | C23 | H11 | 11.6° | 60.0° |
| O25 | C24 | C23 | H12 | 130.5° | 60.0° |
| C23 | C22 | C21 | H9 | 120.5° | 120.0° |
| C23 | C22 | C21 | H10 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 154.8° | 180.0° |
| C23 | C22 | C21 | H7 | 84.9° | 60.0° |
| C23 | C22 | C21 | H8 | 34.5° | 60.0° |
| C23 | C22 | H9 | H10 | 118.4° | 120.0° |
| C22 | C23 | H11 | H12 | 118.4° | 119.9° |
| C22 | C21 | C20 | H7 | 120.3° | 120.0° |
| C22 | C21 | C20 | H8 | 120.3° | 119.9° |
| C22 | C21 | C20 | C19 | 114.7° | 180.0° |
| C22 | C21 | C20 | H5 | 124.9° | 60.0° |
| C22 | C21 | C20 | H6 | 5.8° | 60.0° |
| C22 | C21 | H7 | H8 | 119.1° | 120.0° |
| C21 | C22 | H9 | H10 | 118.4° | 120.0° |
| C21 | C22 | C23 | H11 | 85.3° | 60.0° |
| C21 | C22 | C23 | H12 | 155.7° | 60.0° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | H6 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 130.8° | 180.0° |
| C21 | C20 | C19 | H3 | 108.7° | 60.0° |
| C21 | C20 | C19 | H4 | 10.3° | 60.1° |
| C21 | C20 | H5 | H6 | 118.7° | 120.0° |
| C20 | C21 | H7 | H8 | 119.1° | 120.0° |
| C20 | C21 | C22 | H9 | 34.2° | 60.0° |
| C20 | C21 | C22 | H10 | 84.7° | 60.0° |
| C20 | C19 | C18 | H3 | 120.5° | 120.0° |
| C20 | C19 | C18 | H4 | 120.5° | 119.9° |
| C20 | C19 | C18 | O17 | 109.5° | 179.9° |
| C20 | C19 | C18 | H1 | 10.3° | 60.0° |
| C20 | C19 | C18 | H2 | 130.7° | 60.0° |
| C20 | C19 | H3 | H4 | 118.5° | 120.0° |
| C19 | C20 | H5 | H6 | 118.7° | 120.0° |
| C19 | C20 | C21 | H7 | 5.6° | 60.0° |
| C19 | C20 | C21 | H8 | 125.1° | 60.1° |
| C19 | C18 | O17 | H1 | 119.8° | 120.0° |
| C19 | C18 | O17 | H2 | 119.8° | 120.0° |
| C19 | C18 | O17 | C09 | 161.9° | 180.0° |
| C19 | C18 | H1 | H2 | 120.6° | 120.0° |
| C18 | C19 | H3 | H4 | 118.6° | 120.0° |
| C18 | C19 | C20 | H5 | 10.4° | 60.0° |
| C18 | C19 | C20 | H6 | 108.8° | 60.0° |
| C18 | O17 | C09 | C10 | 85.9° | 180.0° |
| C18 | O17 | C09 | C08 | 93.9° | 0.5° |
| O17 | C18 | H1 | H2 | 120.6° | 120.0° |
| O17 | C18 | C19 | H3 | 130.1° | 60.1° |
| O17 | C18 | C19 | H4 | 11.0° | 60.0° |
| O17 | C09 | C10 | CL16 | 0.1° | 0.5° |
| O17 | C09 | C10 | C08 | 179.8° | 179.5° |
| O17 | C09 | C10 | C11 | 179.9° | 180.0° |
| O17 | C09 | C08 | C07 | 179.9° | 179.8° |
| C09 | O17 | C18 | H1 | 42.1° | 59.9° |
| C09 | O17 | C18 | H2 | 78.3° | 60.1° |
| O17 | C09 | C08 | H26 | 0.1° | 0.3° |
| CL16 | C10 | C09 | C11 | 179.9° | 179.5° |
| CL16 | C10 | C09 | C08 | 179.9° | 180.0° |
| CL16 | C10 | C11 | CL15 | 0.0° | 0.3° |
| CL16 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.3° |
| C09 | C10 | C11 | CL15 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.1° | 0.5° |
| C10 | C09 | C08 | H26 | 179.9° | 179.8° |
| C08 | C09 | C10 | C11 | 0.1° | 0.5° |
| C09 | C08 | C07 | H26 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 0.0° | 0.1° |
| C09 | C08 | C07 | C06 | 180.0° | 180.0° |
| C10 | C11 | CL15 | C12 | 179.9° | 179.7° |
| C10 | C11 | C12 | C07 | 0.2° | 0.3° |
| C10 | C11 | C12 | C13 | 179.6° | 179.8° |
| C08 | C07 | C12 | C11 | 0.2° | 0.1° |
| C08 | C07 | C12 | C06 | 180.0° | 180.0° |
| C08 | C07 | C12 | C13 | 179.8° | 180.0° |
| C08 | C07 | C06 | C05 | 178.5° | 180.0° |
| C08 | C07 | C06 | H24 | 59.2° | 60.8° |
| C08 | C07 | C06 | H25 | 62.3° | 60.7° |
| CL15 | C11 | C12 | C07 | 179.8° | 180.0° |
| CL15 | C11 | C12 | C13 | 0.4° | 0.1° |
| C11 | C12 | C07 | C13 | 179.5° | 179.9° |
| C11 | C12 | C07 | C06 | 179.8° | 180.0° |
| C11 | C12 | C13 | O14 | 0.2° | 0.1° |
| C11 | C12 | C13 | C05 | 178.1° | 180.0° |
| C12 | C07 | C06 | C05 | 1.5° | 0.0° |
| C07 | C12 | C13 | O14 | 179.7° | 180.0° |
| C07 | C12 | C13 | C05 | 1.3° | 0.1° |
| C12 | C07 | C06 | H24 | 120.8° | 119.3° |
| C12 | C07 | C06 | H25 | 117.7° | 119.2° |
| C12 | C07 | C08 | H26 | 180.0° | 180.0° |
| C06 | C07 | C12 | C13 | 0.3° | 0.1° |
| C07 | C06 | C05 | H24 | 119.3° | 119.2° |
| C07 | C06 | C05 | H25 | 119.3° | 119.3° |
| C07 | C06 | C05 | C13 | 2.1° | 0.0° |
| C07 | C06 | C05 | C27 | 123.6° | 119.0° |
| C07 | C06 | C05 | C04 | 116.2° | 119.0° |
| C07 | C06 | H24 | H25 | 122.1° | 121.6° |
| C06 | C07 | C08 | H26 | 0.0° | 0.1° |
| C12 | C13 | C05 | C06 | 2.3° | 0.0° |
| C12 | C13 | O14 | C05 | 178.3° | 179.9° |
| C12 | C13 | C05 | C27 | 120.1° | 119.0° |
| C12 | C13 | C05 | C04 | 115.5° | 119.0° |
| C06 | C05 | C13 | O14 | 179.4° | 180.0° |
| C06 | C05 | C13 | C27 | 117.8° | 119.0° |
| C06 | C05 | C13 | C04 | 117.8° | 119.1° |
| C06 | C05 | C27 | C28 | 78.0° | 56.7° |
| C06 | C05 | C27 | C04 | 120.0° | 122.1° |
| C06 | C05 | C04 | C03 | 73.0° | 56.7° |
| C06 | C05 | C27 | C31 | 160.5° | 56.6° |
| C06 | C05 | C04 | H22 | 47.7° | 176.7° |
| C06 | C05 | C04 | H23 | 166.3° | 63.3° |
| C05 | C06 | H24 | H25 | 122.1° | 121.6° |
| C06 | C05 | C27 | H27 | 43.3° | 179.9° |
| O14 | C13 | C05 | C27 | 61.6° | 61.1° |
| O14 | C13 | C05 | C04 | 62.8° | 60.9° |
| C13 | C05 | C27 | C28 | 37.2° | 172.6° |
| C13 | C05 | C27 | C04 | 124.8° | 122.0° |
| C13 | C05 | C04 | C03 | 41.1° | 59.3° |
| C13 | C05 | C27 | C31 | 84.3° | 59.3° |
| C13 | C05 | C04 | H22 | 161.9° | 60.7° |
| C13 | C05 | C04 | H23 | 79.6° | 179.3° |
| C13 | C05 | C06 | H24 | 121.4° | 119.2° |
| C13 | C05 | C06 | H25 | 117.1° | 119.3° |
| C13 | C05 | C27 | H27 | 158.5° | 64.0° |
| C27 | C28 | C29 | H28 | 119.6° | 118.7° |
| C27 | C28 | C29 | H29 | 119.5° | 118.6° |
| C28 | C27 | C05 | C31 | 121.5° | 113.3° |
| C28 | C27 | C05 | H27 | 121.3° | 123.4° |
| C28 | C27 | C05 | C04 | 162.0° | 65.4° |
| C28 | C27 | C31 | H27 | 117.0° | 118.5° |
| C27 | C28 | C29 | C30 | 31.5° | 23.6° |
| C28 | C27 | C31 | C30 | 2.8° | 37.9° |
| C27 | C28 | C29 | H13 | 88.1° | 95.7° |
| C27 | C28 | C29 | H14 | 151.1° | 143.0° |
| C27 | C28 | H28 | H29 | 121.3° | 122.5° |
| C28 | C27 | C31 | H32 | 116.6° | 80.8° |
| C28 | C27 | C31 | H33 | 122.2° | 156.6° |
| C29 | C28 | C27 | C05 | 143.5° | 156.2° |
| C29 | C28 | C27 | C31 | 18.4° | 37.9° |
| C28 | C29 | C30 | H13 | 119.6° | 119.3° |
| C28 | C29 | C30 | H14 | 119.6° | 119.4° |
| C28 | C29 | C30 | C31 | 27.8° | 0.0° |
| C28 | C29 | H13 | H14 | 121.3° | 121.4° |
| C29 | C28 | C27 | H27 | 96.7° | 80.4° |
| C29 | C28 | H28 | H29 | 121.3° | 122.7° |
| C28 | C29 | C30 | H30 | 147.2° | 119.3° |
| C28 | C29 | C30 | H31 | 91.5° | 119.3° |
| C27 | C05 | C04 | C03 | 167.8° | 178.7° |
| C05 | C27 | C31 | H27 | 117.3° | 123.2° |
| C05 | C27 | C31 | C30 | 128.4° | 156.3° |
| C27 | C05 | C04 | H22 | 71.5° | 61.3° |
| C27 | C05 | C04 | H23 | 47.1° | 58.7° |
| C27 | C05 | C06 | H24 | 117.1° | 0.2° |
| C27 | C05 | C06 | H25 | 4.4° | 121.8° |
| C05 | C27 | C28 | H28 | 96.9° | 37.5° |
| C05 | C27 | C28 | H29 | 23.9° | 85.1° |
| C05 | C27 | C31 | H32 | 9.0° | 37.6° |
| C05 | C27 | C31 | H33 | 112.2° | 85.1° |
| C05 | C04 | C03 | H22 | 120.7° | 120.0° |
| C05 | C04 | C03 | H23 | 120.7° | 120.0° |
| C05 | C04 | C03 | C02 | 151.4° | 180.0° |
| C04 | C05 | C27 | C31 | 40.5° | 178.7° |
| C05 | C04 | C03 | H20 | 31.0° | 60.0° |
| C05 | C04 | C03 | H21 | 88.2° | 60.0° |
| C05 | C04 | H22 | H23 | 117.8° | 120.1° |
| C04 | C05 | C06 | H24 | 3.0° | 121.8° |
| C04 | C05 | C06 | H25 | 124.5° | 0.3° |
| C04 | C05 | C27 | H27 | 76.7° | 58.0° |
| C04 | C03 | C02 | H20 | 120.4° | 120.0° |
| C04 | C03 | C02 | H21 | 120.4° | 120.0° |
| C04 | C03 | C02 | C01 | 158.8° | 180.0° |
| C04 | C03 | C02 | H18 | 80.8° | 60.0° |
| C04 | C03 | C02 | H19 | 38.3° | 60.0° |
| C04 | C03 | H20 | H21 | 118.9° | 120.0° |
| C03 | C04 | H22 | H23 | 117.9° | 119.9° |
| C03 | C02 | C01 | H18 | 120.5° | 120.0° |
| C03 | C02 | C01 | H19 | 120.4° | 119.9° |
| C03 | C02 | C01 | H15 | 180.0° | 60.0° |
| C03 | C02 | C01 | H16 | 60.0° | 60.0° |
| C03 | C02 | C01 | H17 | 60.0° | 180.0° |
| C03 | C02 | H18 | H19 | 118.6° | 119.9° |
| C02 | C03 | H20 | H21 | 118.9° | 120.0° |
| C02 | C03 | C04 | H22 | 87.9° | 59.9° |
| C02 | C03 | C04 | H23 | 30.7° | 60.0° |
| C27 | C31 | C30 | C29 | 17.5° | 23.6° |
| C27 | C31 | C30 | H32 | 119.4° | 118.7° |
| C27 | C31 | C30 | H33 | 119.4° | 118.7° |
| C31 | C27 | C28 | H28 | 138.0° | 80.8° |
| C31 | C27 | C28 | H29 | 101.2° | 156.6° |
| C27 | C31 | C30 | H30 | 136.8° | 95.7° |
| C27 | C31 | C30 | H31 | 101.8° | 142.9° |
| C27 | C31 | H32 | H33 | 121.7° | 122.6° |
| C29 | C30 | C31 | H30 | 119.3° | 119.3° |
| C29 | C30 | C31 | H31 | 119.3° | 119.3° |
| C30 | C29 | H13 | H14 | 121.3° | 121.4° |
| C30 | C29 | C28 | H28 | 151.1° | 95.1° |
| C30 | C29 | C28 | H29 | 88.1° | 142.3° |
| C29 | C30 | H30 | H31 | 121.9° | 121.4° |
| C29 | C30 | C31 | H32 | 136.9° | 95.1° |
| C29 | C30 | C31 | H33 | 101.9° | 142.3° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H17 | 120.0° | 120.0° |
| C02 | C01 | H16 | H17 | 120.0° | 120.0° |
| C01 | C02 | H18 | H19 | 118.6° | 120.0° |
| C01 | C02 | C03 | H20 | 38.4° | 60.0° |
| C01 | C02 | C03 | H21 | 80.9° | 60.0° |
| C31 | C30 | C29 | H13 | 91.7° | 119.3° |
| C31 | C30 | C29 | H14 | 147.4° | 119.4° |
| C30 | C31 | C27 | H27 | 114.3° | 80.5° |
| C31 | C30 | H30 | H31 | 121.9° | 121.4° |
| C30 | C31 | H32 | H33 | 121.7° | 122.6° |
| H1 | C18 | C19 | H3 | 110.1° | 60.0° |
| H1 | C18 | C19 | H4 | 130.8° | 179.9° |
| H2 | C18 | C19 | H3 | 10.3° | 180.0° |
| H2 | C18 | C19 | H4 | 108.8° | 60.0° |
| H3 | C19 | C20 | H5 | 130.8° | 180.0° |
| H3 | C19 | C20 | H6 | 11.7° | 60.0° |
| H4 | C19 | C20 | H5 | 110.1° | 60.0° |
| H4 | C19 | C20 | H6 | 130.7° | 180.0° |
| H5 | C20 | C21 | H7 | 114.8° | 180.0° |
| H5 | C20 | C21 | H8 | 4.6° | 60.0° |
| H6 | C20 | C21 | H7 | 126.1° | 60.0° |
| H6 | C20 | C21 | H8 | 114.5° | 180.0° |
| H7 | C21 | C22 | H9 | 154.5° | 180.0° |
| H7 | C21 | C22 | H10 | 35.6° | 60.0° |
| H8 | C21 | C22 | H9 | 86.1° | 60.0° |
| H8 | C21 | C22 | H10 | 155.0° | 180.0° |
| H9 | C22 | C23 | H11 | 35.2° | 180.0° |
| H9 | C22 | C23 | H12 | 83.7° | 60.1° |
| H10 | C22 | C23 | H11 | 154.1° | 60.1° |
| H10 | C22 | C23 | H12 | 35.2° | 180.0° |
| H13 | C29 | C28 | H28 | 31.5° | 145.6° |
| H13 | C29 | C28 | H29 | 152.4° | 22.9° |
| H13 | C29 | C30 | H30 | 27.6° | 0.0° |
| H13 | C29 | C30 | H31 | 148.9° | 121.5° |
| H14 | C29 | C28 | H28 | 89.3° | 24.3° |
| H14 | C29 | C28 | H29 | 31.5° | 98.4° |
| H14 | C29 | C30 | H30 | 93.2° | 121.3° |
| H14 | C29 | C30 | H31 | 28.1° | 0.1° |
| H15 | C01 | H16 | H17 | 119.9° | 119.9° |
| H15 | C01 | C02 | H18 | 59.5° | 60.0° |
| H15 | C01 | C02 | H19 | 59.6° | 180.0° |
| H16 | C01 | C02 | H18 | 179.6° | 180.0° |
| H16 | C01 | C02 | H19 | 60.5° | 59.9° |
| H17 | C01 | C02 | H18 | 60.4° | 60.0° |
| H17 | C01 | C02 | H19 | 179.5° | 60.0° |
| H18 | C02 | C03 | H20 | 158.8° | 180.0° |
| H18 | C02 | C03 | H21 | 39.6° | 60.1° |
| H19 | C02 | C03 | H20 | 82.1° | 60.0° |
| H19 | C02 | C03 | H21 | 158.7° | 180.0° |
| H20 | C03 | C04 | H22 | 151.8° | 180.0° |
| H20 | C03 | C04 | H23 | 89.6° | 60.1° |
| H21 | C03 | C04 | H22 | 32.5° | 60.0° |
| H21 | C03 | C04 | H23 | 151.1° | 180.0° |
| H27 | C27 | C28 | H28 | 22.8° | 160.8° |
| H27 | C27 | C28 | H29 | 143.7° | 38.3° |
| H27 | C27 | C31 | H32 | 126.3° | 160.8° |
| H27 | C27 | C31 | H33 | 5.1° | 38.1° |
| H30 | C30 | C31 | H32 | 103.8° | 145.6° |
| H30 | C30 | C31 | H33 | 17.4° | 23.0° |
| H31 | C30 | C31 | H32 | 17.6° | 24.2° |
| H31 | C30 | C31 | H33 | 138.7° | 98.4° |
