JYY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | C21 | sing | 1.53Å | 1.32Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N32 | sing | 1.47Å | 1.47Å | |
| C15 | C01 | sing | 1.48Å | 1.52Å | |
| C15 | C16 | doub | 1.36Å | 1.44Å | Aromatic |
| C15 | N33 | sing | 1.32Å | 1.56Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.53Å | |
| C17 | N33 | doub | 1.30Å | 1.41Å | Aromatic |
| C17 | S41 | sing | 1.76Å | 1.54Å | Aromatic |
| C18 | N34 | sing | 1.35Å | 1.45Å | |
| C18 | O39 | doub | 1.22Å | 1.18Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | N34 | sing | 1.47Å | 1.45Å | |
| C20 | O38 | sing | 1.43Å | 1.40Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | C28 | sing | 1.47Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.53Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.53Å | Aromatic |
| C28 | N35 | trip | 1.14Å | 1.13Å | |
| C29 | O40 | sing | 1.43Å | 1.40Å | |
| N32 | C09 | sing | 1.35Å | 1.45Å | |
| N32 | C10 | sing | 1.47Å | 1.47Å | |
| C01 | C02 | doub | 1.40Å | 1.57Å | Aromatic |
| C01 | N30 | sing | 1.33Å | 1.46Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | N31 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.55Å | Aromatic |
| C03 | C07 | sing | 1.47Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.51Å | Aromatic |
| C04 | O40 | sing | 1.36Å | 1.39Å | |
| C05 | N30 | doub | 1.32Å | 1.45Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | N31 | sing | 1.34Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.53Å | |
| C08 | C09 | sing | 1.49Å | 1.53Å | |
| C08 | O36 | doub | 1.21Å | 1.19Å | |
| C09 | O37 | doub | 1.21Å | 1.18Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C16 | S41 | sing | 1.71Å | 1.51Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.52Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.08Å | 1.08Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| N31 | H28 | sing | 0.97Å | 1.00Å | |
| N34 | H29 | sing | 0.97Å | 1.00Å | |
| O38 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C21 | 121.8° | 109.5° |
| C13 | C12 | C11 | 114.0° | 109.5° |
| C12 | C13 | C14 | 113.2° | 109.4° |
| C13 | C12 | H1 | 93.3° | 109.4° |
| C12 | C13 | H2 | 108.5° | 109.5° |
| C12 | C13 | H3 | 108.5° | 109.5° |
| C21 | C12 | C11 | 123.1° | 109.4° |
| C12 | C21 | C22 | 120.7° | 109.5° |
| C12 | C21 | C28 | 118.1° | 109.5° |
| C21 | C12 | H1 | 93.8° | 109.5° |
| C12 | C21 | H11 | 94.7° | 109.5° |
| C12 | C11 | C10 | 119.9° | 109.3° |
| C11 | C12 | H1 | 93.3° | 109.4° |
| C12 | C11 | H19 | 106.8° | 109.5° |
| C12 | C11 | H20 | 106.8° | 109.5° |
| C13 | C14 | N32 | 110.3° | 108.8° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C14 | C13 | H3 | 108.5° | 109.5° |
| C13 | C14 | H4 | 109.2° | 109.6° |
| C13 | C14 | H5 | 109.2° | 109.6° |
| C14 | N32 | C09 | 125.0° | 120.6° |
| C14 | N32 | C10 | 112.5° | 118.8° |
| N32 | C14 | H4 | 109.3° | 109.5° |
| N32 | C14 | H5 | 109.3° | 109.6° |
| C01 | C15 | C16 | 127.7° | 122.5° |
| C01 | C15 | N33 | 123.6° | 122.4° |
| C15 | C01 | C02 | 117.2° | 119.9° |
| C15 | C01 | N30 | 121.8° | 119.7° |
| C16 | C15 | N33 | 108.6° | 115.1° |
| C15 | C16 | S41 | 107.2° | 108.9° |
| C15 | C16 | H21 | 126.4° | 125.5° |
| C15 | N33 | C17 | 108.4° | 116.0° |
| C18 | C17 | N33 | 124.1° | 125.3° |
| C18 | C17 | S41 | 128.2° | 125.3° |
| C17 | C18 | N34 | 118.1° | 120.0° |
| C17 | C18 | O39 | 121.0° | 120.0° |
| N33 | C17 | S41 | 107.7° | 109.4° |
| C17 | S41 | C16 | 108.0° | 90.5° |
| N34 | C18 | O39 | 120.9° | 120.0° |
| C18 | N34 | C19 | 121.4° | 120.0° |
| C18 | N34 | H29 | 119.3° | 120.1° |
| C20 | C19 | N34 | 108.4° | 109.5° |
| C19 | C20 | O38 | 109.5° | 109.5° |
| C20 | C19 | H7 | 109.8° | 109.5° |
| C20 | C19 | H8 | 109.7° | 109.5° |
| C19 | C20 | H9 | 109.4° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| N34 | C19 | H7 | 109.7° | 109.4° |
| N34 | C19 | H8 | 109.8° | 109.4° |
| C19 | N34 | H29 | 119.3° | 120.0° |
| O38 | C20 | H9 | 109.4° | 109.5° |
| O38 | C20 | H10 | 109.4° | 109.5° |
| C20 | O38 | H30 | 109.5° | 114.0° |
| C22 | C21 | C28 | 119.6° | 109.5° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C21 | C22 | C27 | 119.6° | 120.0° |
| C22 | C21 | H11 | 94.1° | 109.4° |
| C21 | C28 | N35 | 179.6° | 180.0° |
| C28 | C21 | H11 | 94.1° | 109.5° |
| C23 | C22 | C27 | 120.0° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C22 | C27 | C26 | 120.1° | 120.1° |
| C22 | C27 | H27 | 119.9° | 120.0° |
| C29 | O40 | C04 | 113.2° | 117.0° |
| O40 | C29 | H12 | 109.5° | 109.4° |
| O40 | C29 | H13 | 109.4° | 109.5° |
| O40 | C29 | H14 | 109.5° | 109.5° |
| C09 | N32 | C10 | 122.5° | 120.7° |
| N32 | C09 | C08 | 121.2° | 120.0° |
| N32 | C09 | O37 | 118.8° | 120.0° |
| N32 | C10 | C11 | 117.2° | 108.8° |
| N32 | C10 | H17 | 107.5° | 109.6° |
| N32 | C10 | H18 | 107.5° | 109.6° |
| C02 | C01 | N30 | 121.0° | 120.4° |
| C01 | C02 | C03 | 121.1° | 118.5° |
| C01 | C02 | N31 | 130.0° | 133.9° |
| C01 | N30 | C05 | 118.7° | 122.4° |
| C03 | C02 | N31 | 108.9° | 107.6° |
| C02 | C03 | C04 | 118.2° | 118.9° |
| C02 | C03 | C07 | 106.9° | 106.0° |
| C02 | N31 | C06 | 107.8° | 110.8° |
| C02 | N31 | H28 | 126.1° | 124.6° |
| C04 | C03 | C07 | 134.9° | 135.1° |
| C03 | C04 | C05 | 120.7° | 118.7° |
| C03 | C04 | O40 | 121.6° | 120.6° |
| C03 | C07 | C06 | 108.0° | 106.0° |
| C03 | C07 | C08 | 130.1° | 127.0° |
| C05 | C04 | O40 | 117.7° | 120.6° |
| C04 | C05 | N30 | 120.3° | 121.1° |
| C04 | C05 | H15 | 119.8° | 119.4° |
| N30 | C05 | H15 | 119.8° | 119.5° |
| C07 | C06 | N31 | 108.4° | 109.5° |
| C06 | C07 | C08 | 121.9° | 126.9° |
| C07 | C06 | H16 | 125.8° | 125.2° |
| N31 | C06 | H16 | 125.8° | 125.3° |
| C06 | N31 | H28 | 126.1° | 124.6° |
| C07 | C08 | C09 | 122.1° | 120.0° |
| C07 | C08 | O36 | 117.7° | 120.0° |
| C09 | C08 | O36 | 120.2° | 120.0° |
| C08 | C09 | O37 | 120.0° | 120.0° |
| C11 | C10 | H17 | 107.5° | 109.6° |
| C11 | C10 | H18 | 107.5° | 109.6° |
| C10 | C11 | H19 | 106.8° | 109.5° |
| C10 | C11 | H20 | 106.8° | 109.4° |
| S41 | C16 | H21 | 126.4° | 125.6° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.2° | 120.0° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | H27 | 119.9° | 119.9° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.7° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.5° | 109.5° |
| H12 | C29 | H14 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.7° |
| H19 | C11 | H20 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C21 | C11 | 167.2° | 120.1° |
| C13 | C12 | C21 | H1 | 96.3° | 120.0° |
| C13 | C12 | C11 | H1 | 95.1° | 120.0° |
| C12 | C13 | C14 | H2 | 120.5° | 120.0° |
| C12 | C13 | C14 | H3 | 120.5° | 120.0° |
| C12 | C13 | C14 | N32 | 62.2° | 54.6° |
| C13 | C12 | C21 | C22 | 157.0° | 180.0° |
| C13 | C12 | C21 | C28 | 37.8° | 60.0° |
| C13 | C12 | C11 | C10 | 14.7° | 61.4° |
| C12 | C13 | H2 | H3 | 118.3° | 120.1° |
| C12 | C13 | C14 | H4 | 57.9° | 65.1° |
| C12 | C13 | C14 | H5 | 177.7° | 174.4° |
| C13 | C12 | C21 | H11 | 59.4° | 60.0° |
| C13 | C12 | C11 | H19 | 136.2° | 58.6° |
| C13 | C12 | C11 | H20 | 106.8° | 178.7° |
| C21 | C12 | C11 | H1 | 96.7° | 120.0° |
| C21 | C12 | C13 | C14 | 167.8° | 178.6° |
| C12 | C21 | C22 | C28 | 165.0° | 120.0° |
| C12 | C21 | C22 | H11 | 97.9° | 120.0° |
| C12 | C21 | C28 | H11 | 97.6° | 120.0° |
| C12 | C21 | C22 | C23 | 64.9° | 120.0° |
| C12 | C21 | C22 | C27 | 115.6° | 60.3° |
| C12 | C21 | C28 | N35 | 2.3° | 44.8° |
| C21 | C12 | C11 | C10 | 153.5° | 178.6° |
| C21 | C12 | C13 | H2 | 47.2° | 58.6° |
| C21 | C12 | C13 | H3 | 71.7° | 61.4° |
| C21 | C12 | C11 | H19 | 32.0° | 61.5° |
| C21 | C12 | C11 | H20 | 85.1° | 58.7° |
| C11 | C12 | C13 | C14 | 23.9° | 61.4° |
| C11 | C12 | C21 | C22 | 10.2° | 59.9° |
| C11 | C12 | C21 | C28 | 155.0° | 179.9° |
| C12 | C11 | C10 | N32 | 17.6° | 54.6° |
| C12 | C11 | C10 | H19 | 121.5° | 119.9° |
| C12 | C11 | C10 | H20 | 121.5° | 119.9° |
| C11 | C12 | C13 | H2 | 144.4° | 178.6° |
| C11 | C12 | C13 | H3 | 96.6° | 58.6° |
| C11 | C12 | C21 | H11 | 107.8° | 60.1° |
| C12 | C11 | C10 | H17 | 138.7° | 65.1° |
| C12 | C11 | C10 | H18 | 103.5° | 174.4° |
| C12 | C11 | H19 | H20 | 115.3° | 120.1° |
| C13 | C14 | N32 | H4 | 120.1° | 119.8° |
| C13 | C14 | N32 | H5 | 120.1° | 119.9° |
| C13 | C14 | N32 | C09 | 121.9° | 126.4° |
| C13 | C14 | N32 | C10 | 58.9° | 53.6° |
| C14 | C13 | C12 | H1 | 71.2° | 58.6° |
| C14 | C13 | H2 | H3 | 118.3° | 120.0° |
| C13 | C14 | H4 | H5 | 119.6° | 120.4° |
| C14 | N32 | C09 | C10 | 179.1° | 179.9° |
| C14 | N32 | C09 | C08 | 0.8° | 169.3° |
| C14 | N32 | C09 | O37 | 179.8° | 10.8° |
| C14 | N32 | C10 | C11 | 19.8° | 53.6° |
| N32 | C14 | C13 | H2 | 177.3° | 174.6° |
| N32 | C14 | C13 | H3 | 58.3° | 65.4° |
| N32 | C14 | H4 | H5 | 119.6° | 120.3° |
| C14 | N32 | C10 | H17 | 101.2° | 66.2° |
| C14 | N32 | C10 | H18 | 140.9° | 173.4° |
| C01 | C15 | C16 | N33 | 178.8° | 179.7° |
| C01 | C15 | N33 | C17 | 179.0° | 180.0° |
| C15 | C01 | C02 | N30 | 178.7° | 179.7° |
| C15 | C01 | C02 | C03 | 179.3° | 180.0° |
| C15 | C01 | C02 | N31 | 1.0° | 0.0° |
| C15 | C01 | N30 | C05 | 179.3° | 179.7° |
| C01 | C15 | C16 | S41 | 179.2° | 180.0° |
| C01 | C15 | C16 | H21 | 0.8° | 0.0° |
| C16 | C15 | N33 | C17 | 0.2° | 0.3° |
| C15 | C16 | S41 | C17 | 0.4° | 0.1° |
| C16 | C15 | C01 | C02 | 170.8° | 155.0° |
| C16 | C15 | C01 | N30 | 7.9° | 25.3° |
| C15 | C16 | S41 | H21 | 180.0° | 180.0° |
| C15 | N33 | C17 | C18 | 179.6° | 180.0° |
| C15 | N33 | C17 | S41 | 0.1° | 0.2° |
| N33 | C15 | C01 | C02 | 7.8° | 25.3° |
| N33 | C15 | C01 | N30 | 173.4° | 154.4° |
| N33 | C15 | C16 | S41 | 0.4° | 0.3° |
| N33 | C15 | C16 | H21 | 179.6° | 179.7° |
| C18 | C17 | N33 | S41 | 179.5° | 179.8° |
| C17 | C18 | N34 | O39 | 179.3° | 180.0° |
| C17 | C18 | N34 | C19 | 180.0° | 180.0° |
| C18 | C17 | S41 | C16 | 179.7° | 179.8° |
| C17 | C18 | N34 | H29 | 0.0° | 0.0° |
| N33 | C17 | C18 | N34 | 27.9° | 179.9° |
| N33 | C17 | C18 | O39 | 151.4° | 0.1° |
| N33 | C17 | S41 | C16 | 0.3° | 0.0° |
| S41 | C17 | C18 | N34 | 151.4° | 0.2° |
| S41 | C17 | C18 | O39 | 29.3° | 179.8° |
| C17 | S41 | C16 | H21 | 179.6° | 179.9° |
| C18 | N34 | C19 | C20 | 126.2° | 180.0° |
| C18 | N34 | C19 | H29 | 180.0° | 180.0° |
| C18 | N34 | C19 | H7 | 6.4° | 59.9° |
| C18 | N34 | C19 | H8 | 114.0° | 60.0° |
| O39 | C18 | N34 | C19 | 0.7° | 0.0° |
| O39 | C18 | N34 | H29 | 179.3° | 180.0° |
| C20 | C19 | N34 | H7 | 119.8° | 120.1° |
| C20 | C19 | N34 | H8 | 119.8° | 120.0° |
| C19 | C20 | O38 | H9 | 120.0° | 120.0° |
| C19 | C20 | O38 | H10 | 120.0° | 120.0° |
| C20 | C19 | H7 | H8 | 120.5° | 120.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | N34 | H29 | 53.8° | 0.0° |
| C19 | C20 | O38 | H30 | 180.0° | 180.0° |
| N34 | C19 | C20 | O38 | 14.1° | 65.0° |
| N34 | C19 | H7 | H8 | 120.5° | 119.9° |
| N34 | C19 | C20 | H9 | 134.1° | 175.0° |
| N34 | C19 | C20 | H10 | 105.9° | 55.0° |
| O38 | C20 | C19 | H7 | 133.9° | 175.0° |
| O38 | C20 | C19 | H8 | 105.8° | 55.0° |
| O38 | C20 | H9 | H10 | 120.0° | 120.0° |
| C22 | C21 | C28 | H11 | 97.0° | 120.0° |
| C21 | C22 | C23 | C27 | 179.4° | 179.7° |
| C22 | C21 | C28 | N35 | 167.8° | 75.3° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C27 | C26 | 179.9° | 179.8° |
| C22 | C21 | C12 | H1 | 106.7° | 60.0° |
| C21 | C22 | C23 | H23 | 0.1° | 0.1° |
| C21 | C22 | C27 | H27 | 0.1° | 0.1° |
| C28 | C21 | C22 | C23 | 130.0° | 119.9° |
| C28 | C21 | C22 | C27 | 49.4° | 59.7° |
| C28 | C21 | C12 | H1 | 58.5° | 60.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C23 | C22 | C27 | C26 | 0.4° | 0.5° |
| C23 | C22 | C21 | H11 | 33.0° | 0.0° |
| C22 | C23 | C24 | H24 | 179.5° | 179.9° |
| C23 | C22 | C27 | H27 | 179.6° | 179.7° |
| C27 | C22 | C23 | C24 | 0.6° | 0.3° |
| C22 | C27 | C26 | C25 | 0.1° | 0.4° |
| C22 | C27 | C26 | H27 | 180.0° | 179.7° |
| C27 | C22 | C21 | H11 | 146.4° | 179.7° |
| C27 | C22 | C23 | H23 | 179.3° | 179.7° |
| C22 | C27 | C26 | H26 | 179.9° | 179.7° |
| N35 | C28 | C21 | H11 | 95.2° | 164.8° |
| C29 | O40 | C04 | C03 | 109.3° | 180.0° |
| C29 | O40 | C04 | C05 | 70.5° | 0.1° |
| O40 | C29 | H12 | H13 | 120.0° | 120.0° |
| O40 | C29 | H12 | H14 | 120.0° | 120.0° |
| O40 | C29 | H13 | H14 | 120.0° | 120.0° |
| N32 | C09 | C08 | C07 | 131.5° | 114.3° |
| N32 | C09 | C08 | O37 | 179.3° | 180.0° |
| N32 | C09 | C08 | O36 | 49.2° | 65.7° |
| C09 | N32 | C10 | C11 | 160.9° | 126.3° |
| C09 | N32 | C14 | H4 | 118.0° | 113.9° |
| C09 | N32 | C14 | H5 | 1.8° | 6.5° |
| C09 | N32 | C10 | H17 | 78.0° | 113.9° |
| C09 | N32 | C10 | H18 | 39.8° | 6.6° |
| C10 | N32 | C09 | C08 | 180.0° | 10.7° |
| C10 | N32 | C09 | O37 | 0.7° | 169.3° |
| N32 | C10 | C11 | H17 | 121.1° | 119.8° |
| N32 | C10 | C11 | H18 | 121.1° | 119.8° |
| C10 | N32 | C14 | H4 | 61.2° | 66.2° |
| C10 | N32 | C14 | H5 | 179.0° | 173.4° |
| N32 | C10 | H17 | H18 | 116.5° | 120.4° |
| N32 | C10 | C11 | H19 | 139.1° | 65.3° |
| N32 | C10 | C11 | H20 | 103.8° | 174.6° |
| C01 | C02 | C03 | N31 | 179.7° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | C07 | 179.6° | 180.0° |
| C02 | C01 | N30 | C05 | 0.6° | 0.7° |
| C01 | C02 | N31 | C06 | 179.6° | 180.0° |
| C01 | C02 | N31 | H28 | 0.4° | 0.0° |
| N30 | C01 | C02 | C03 | 0.6° | 0.3° |
| N30 | C01 | C02 | N31 | 179.8° | 179.7° |
| C01 | N30 | C05 | C04 | 0.4° | 0.7° |
| C01 | N30 | C05 | H15 | 179.6° | 179.7° |
| C02 | C03 | C04 | C07 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | O40 | 179.9° | 180.0° |
| C02 | C03 | C07 | C06 | 0.1° | 0.0° |
| C03 | C02 | N31 | C06 | 0.1° | 0.0° |
| C02 | C03 | C07 | C08 | 179.7° | 180.0° |
| C03 | C02 | N31 | H28 | 179.9° | 180.0° |
| N31 | C02 | C03 | C04 | 179.9° | 180.0° |
| N31 | C02 | C03 | C07 | 0.1° | 0.0° |
| C02 | N31 | C06 | C07 | 0.0° | 0.0° |
| C02 | N31 | C06 | H28 | 180.0° | 180.0° |
| C02 | N31 | C06 | H16 | 180.0° | 180.0° |
| C03 | C04 | C05 | O40 | 179.8° | 179.9° |
| C03 | C04 | C05 | N30 | 0.0° | 0.4° |
| C04 | C03 | C07 | C06 | 179.9° | 180.0° |
| C04 | C03 | C07 | C08 | 0.6° | 0.0° |
| C03 | C04 | C05 | H15 | 180.0° | 180.0° |
| C07 | C03 | C04 | C05 | 179.8° | 180.0° |
| C07 | C03 | C04 | O40 | 0.4° | 0.1° |
| C03 | C07 | C06 | C08 | 179.6° | 180.0° |
| C03 | C07 | C06 | N31 | 0.1° | 0.0° |
| C03 | C07 | C08 | C09 | 26.2° | 180.0° |
| C03 | C07 | C08 | O36 | 154.4° | 0.0° |
| C03 | C07 | C06 | H16 | 179.9° | 180.0° |
| C04 | C05 | N30 | H15 | 180.0° | 179.7° |
| O40 | C04 | C05 | N30 | 179.8° | 179.7° |
| C04 | O40 | C29 | H12 | 180.0° | 180.0° |
| C04 | O40 | C29 | H13 | 60.0° | 60.0° |
| C04 | O40 | C29 | H14 | 60.0° | 60.1° |
| O40 | C04 | C05 | H15 | 0.2° | 0.1° |
| C07 | C06 | N31 | H16 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 154.3° | 0.0° |
| C06 | C07 | C08 | O36 | 25.1° | 180.0° |
| C07 | C06 | N31 | H28 | 180.0° | 180.0° |
| N31 | C06 | C07 | C08 | 179.7° | 180.0° |
| C07 | C08 | C09 | O36 | 179.4° | 180.0° |
| C07 | C08 | C09 | O37 | 47.9° | 65.7° |
| C08 | C07 | C06 | H16 | 0.3° | 0.1° |
| O36 | C08 | C09 | O37 | 131.5° | 114.3° |
| C10 | C11 | C12 | H1 | 109.8° | 58.6° |
| C11 | C10 | H17 | H18 | 116.5° | 120.4° |
| C10 | C11 | H19 | H20 | 115.3° | 120.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C23 | C24 | C25 | H25 | 179.8° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | H23 | 179.5° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | H24 | 179.8° | 180.0° |
| C25 | C26 | C27 | H27 | 179.9° | 179.8° |
| C27 | C26 | C25 | H25 | 180.0° | 179.9° |
| H1 | C12 | C13 | H2 | 49.3° | 61.4° |
| H1 | C12 | C13 | H3 | 168.2° | 178.6° |
| H1 | C12 | C21 | H11 | 155.7° | 180.0° |
| H1 | C12 | C11 | H19 | 128.7° | 178.6° |
| H1 | C12 | C11 | H20 | 11.6° | 61.3° |
| H2 | C13 | C14 | H4 | 62.6° | 54.8° |
| H2 | C13 | C14 | H5 | 57.1° | 65.6° |
| H3 | C13 | C14 | H4 | 178.5° | 174.9° |
| H3 | C13 | C14 | H5 | 61.8° | 54.4° |
| H7 | C19 | C20 | H9 | 106.1° | 55.0° |
| H7 | C19 | C20 | H10 | 13.9° | 65.0° |
| H7 | C19 | N34 | H29 | 173.6° | 120.1° |
| H8 | C19 | C20 | H9 | 14.2° | 65.0° |
| H8 | C19 | C20 | H10 | 134.2° | 175.0° |
| H8 | C19 | N34 | H29 | 66.1° | 120.0° |
| H9 | C20 | O38 | H30 | 60.0° | 60.0° |
| H10 | C20 | O38 | H30 | 60.0° | 60.0° |
| H12 | C29 | H13 | H14 | 120.0° | 120.0° |
| H16 | C06 | N31 | H28 | 0.0° | 0.1° |
| H17 | C10 | C11 | H19 | 99.8° | 174.9° |
| H17 | C10 | C11 | H20 | 17.3° | 54.8° |
| H18 | C10 | C11 | H19 | 18.0° | 54.5° |
| H18 | C10 | C11 | H20 | 135.1° | 65.6° |
| H23 | C23 | C24 | H24 | 0.5° | 0.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.1° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
