MWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.21Å | |
| C21 | C06 | sing | 1.54Å | 1.53Å | |
| C12 | C14 | sing | 1.50Å | 1.52Å | |
| C12 | C11 | sing | 1.52Å | 1.58Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.58Å | |
| C07 | C20 | sing | 1.52Å | 1.47Å | |
| C06 | C11 | sing | 1.58Å | 1.61Å | |
| C06 | C05 | sing | 1.52Å | 1.61Å | |
| O24 | C23 | doub | 1.21Å | 1.21Å | |
| C11 | C10 | sing | 1.49Å | 1.58Å | |
| C09 | C10 | sing | 1.54Å | 1.53Å | |
| S26 | C27 | sing | 1.76Å | 1.85Å | |
| S26 | C25 | sing | 1.81Å | 1.83Å | |
| C15 | C10 | sing | 1.56Å | 1.54Å | |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C23 | O22 | sing | 1.34Å | 1.42Å | |
| C10 | C16 | sing | 1.53Å | 1.55Å | |
| N28 | C27 | sing | 1.34Å | 1.35Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.35Å | Aromatic |
| C05 | O22 | sing | 1.46Å | 1.51Å | |
| C05 | C04 | sing | 1.48Å | 1.58Å | |
| C27 | N31 | doub | 1.31Å | 1.35Å | Aromatic |
| C29 | N32 | sing | 1.38Å | 1.48Å | |
| C29 | N30 | sing | 1.35Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.46Å | 1.61Å | |
| N31 | N30 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C16 | C19 | sing | 1.54Å | 1.51Å | |
| C17 | C03 | sing | 1.57Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C03 | C33 | sing | 1.54Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.11Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.10Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| N32 | H36 | sing | 0.97Å | 1.00Å | |
| N32 | H37 | sing | 0.97Å | 1.00Å | |
| O18 | H38 | sing | 0.97Å | 0.95Å | |
| N30 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C14 | 122.9° | 125.6° |
| O13 | C12 | C11 | 128.1° | 127.0° |
| C21 | C06 | C07 | 109.2° | 103.5° |
| C21 | C06 | C11 | 111.3° | 106.6° |
| C21 | C06 | C05 | 108.4° | 106.1° |
| C06 | C21 | H27 | 109.5° | 109.5° |
| C06 | C21 | H28 | 109.5° | 109.5° |
| C06 | C21 | H29 | 109.5° | 109.5° |
| C14 | C12 | C11 | 109.0° | 107.4° |
| C12 | C14 | C15 | 104.2° | 103.6° |
| C12 | C14 | H15 | 110.8° | 110.8° |
| C12 | C14 | H16 | 110.8° | 110.6° |
| C12 | C11 | C06 | 119.6° | 116.8° |
| C12 | C11 | C10 | 102.2° | 102.4° |
| C12 | C11 | H14 | 106.9° | 108.9° |
| C07 | C08 | C09 | 109.6° | 106.4° |
| C08 | C07 | C06 | 113.3° | 107.1° |
| C08 | C07 | C20 | 103.3° | 111.4° |
| C08 | C07 | H9 | 108.3° | 108.4° |
| C07 | C08 | H10 | 109.4° | 110.8° |
| C07 | C08 | H11 | 109.5° | 109.8° |
| C08 | C09 | C10 | 114.2° | 112.9° |
| C09 | C08 | H10 | 109.5° | 110.4° |
| C09 | C08 | H11 | 109.4° | 109.6° |
| C08 | C09 | H12 | 108.3° | 108.7° |
| C08 | C09 | H13 | 108.3° | 108.5° |
| C14 | C15 | C10 | 103.5° | 102.5° |
| C15 | C14 | H15 | 110.8° | 110.8° |
| C15 | C14 | H16 | 110.8° | 110.6° |
| C14 | C15 | H17 | 110.9° | 110.8° |
| C14 | C15 | H18 | 111.0° | 110.2° |
| C06 | C07 | C20 | 115.0° | 113.0° |
| C07 | C06 | C11 | 110.0° | 110.8° |
| C07 | C06 | C05 | 113.1° | 111.5° |
| C06 | C07 | H9 | 107.6° | 108.1° |
| C20 | C07 | H9 | 109.0° | 108.6° |
| C07 | C20 | H24 | 109.5° | 109.5° |
| C07 | C20 | H25 | 109.5° | 109.5° |
| C07 | C20 | H26 | 109.5° | 109.5° |
| C11 | C06 | C05 | 104.9° | 117.1° |
| C06 | C11 | C10 | 114.0° | 105.7° |
| C06 | C11 | H14 | 106.5° | 111.7° |
| C06 | C05 | O22 | 123.5° | 112.0° |
| C06 | C05 | C04 | 111.0° | 102.5° |
| C06 | C05 | H8 | 100.0° | 111.4° |
| O24 | C23 | C25 | 119.0° | 120.0° |
| O24 | C23 | O22 | 123.7° | 120.0° |
| C11 | C10 | C09 | 111.1° | 112.5° |
| C11 | C10 | C15 | 102.7° | 98.8° |
| C11 | C10 | C16 | 110.9° | 109.9° |
| C10 | C11 | H14 | 106.9° | 110.8° |
| C09 | C10 | C15 | 110.5° | 108.5° |
| C09 | C10 | C16 | 111.4° | 114.4° |
| C10 | C09 | H12 | 108.3° | 109.1° |
| C10 | C09 | H13 | 108.3° | 108.9° |
| C27 | S26 | C25 | 110.0° | 103.0° |
| S26 | C27 | N28 | 122.7° | 125.5° |
| S26 | C27 | N31 | 124.4° | 125.6° |
| S26 | C25 | C23 | 108.2° | 109.5° |
| S26 | C25 | H30 | 109.8° | 109.4° |
| S26 | C25 | H31 | 109.8° | 109.5° |
| C15 | C10 | C16 | 109.9° | 111.6° |
| C10 | C15 | H17 | 111.0° | 110.9° |
| C10 | C15 | H18 | 110.9° | 111.2° |
| C25 | C23 | O22 | 117.3° | 120.0° |
| C23 | C25 | H30 | 109.8° | 109.5° |
| C23 | C25 | H31 | 109.8° | 109.4° |
| C23 | O22 | C05 | 123.6° | 117.0° |
| C10 | C16 | C17 | 109.5° | 122.2° |
| C10 | C16 | C19 | 112.9° | 107.0° |
| C10 | C16 | H19 | 106.4° | 107.3° |
| C27 | N28 | C29 | 103.3° | 109.7° |
| N28 | C27 | N31 | 112.9° | 108.9° |
| N28 | C29 | N32 | 123.0° | 126.0° |
| N28 | C29 | N30 | 111.9° | 107.9° |
| O22 | C05 | C04 | 116.0° | 108.5° |
| O22 | C05 | H8 | 100.7° | 108.7° |
| C05 | C04 | C03 | 112.4° | 116.0° |
| C05 | C04 | H6 | 108.7° | 107.0° |
| C05 | C04 | H7 | 108.7° | 112.4° |
| C04 | C05 | H8 | 100.3° | 113.8° |
| C27 | N31 | N30 | 105.6° | 107.0° |
| N32 | C29 | N30 | 125.1° | 126.1° |
| C29 | N32 | H36 | 109.5° | 120.0° |
| C29 | N32 | H37 | 109.5° | 120.0° |
| C29 | N30 | N31 | 106.3° | 106.5° |
| C29 | N30 | H35 | 126.9° | 126.7° |
| C04 | C03 | C17 | 113.6° | 101.5° |
| C04 | C03 | C33 | 109.6° | 110.0° |
| C04 | C03 | C02 | 110.5° | 113.1° |
| C03 | C04 | H6 | 108.7° | 106.7° |
| C03 | C04 | H7 | 108.7° | 108.6° |
| N31 | N30 | H35 | 126.9° | 126.8° |
| C17 | C16 | C19 | 114.5° | 106.1° |
| C16 | C17 | C03 | 113.6° | 120.7° |
| C16 | C17 | O18 | 110.6° | 107.3° |
| C17 | C16 | H19 | 106.1° | 108.2° |
| C16 | C17 | H20 | 107.6° | 107.5° |
| C19 | C16 | H19 | 106.8° | 104.8° |
| C16 | C19 | H21 | 109.5° | 109.4° |
| C16 | C19 | H22 | 109.5° | 109.5° |
| C16 | C19 | H23 | 109.5° | 109.5° |
| C03 | C17 | O18 | 107.3° | 107.2° |
| C17 | C03 | C33 | 107.1° | 110.1° |
| C17 | C03 | C02 | 106.0° | 112.1° |
| C03 | C17 | H20 | 108.1° | 107.3° |
| O18 | C17 | H20 | 109.5° | 106.0° |
| C17 | O18 | H38 | 109.5° | 113.9° |
| C33 | C03 | C02 | 110.0° | 109.8° |
| C03 | C33 | H32 | 109.5° | 109.5° |
| C03 | C33 | H33 | 109.5° | 109.4° |
| C03 | C33 | H34 | 109.5° | 109.5° |
| C03 | C02 | C01 | 119.0° | 109.5° |
| C03 | C02 | H4 | 107.0° | 109.5° |
| C03 | C02 | H5 | 107.0° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.0° | 109.4° |
| C01 | C02 | H5 | 107.1° | 109.4° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C04 | H7 | 109.5° | 105.5° |
| H10 | C08 | H11 | 109.4° | 109.9° |
| H12 | C09 | H13 | 109.5° | 108.6° |
| H15 | C14 | H16 | 109.5° | 110.2° |
| H17 | C15 | H18 | 109.4° | 110.9° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H23 | 109.4° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.4° |
| H24 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.4° | 109.5° |
| H32 | C33 | H33 | 109.4° | 109.5° |
| H32 | C33 | H34 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.4° |
| H36 | N32 | H37 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C14 | C11 | 179.2° | 179.8° |
| O13 | C12 | C14 | C15 | 169.7° | 178.5° |
| O13 | C12 | C11 | C06 | 37.1° | 36.0° |
| O13 | C12 | C11 | C10 | 164.1° | 150.9° |
| O13 | C12 | C11 | H14 | 83.8° | 91.7° |
| O13 | C12 | C14 | H15 | 71.1° | 62.7° |
| O13 | C12 | C14 | H16 | 50.5° | 59.9° |
| C21 | C06 | C11 | C12 | 46.0° | 60.8° |
| C21 | C06 | C07 | C08 | 114.6° | 178.7° |
| C21 | C06 | C07 | C11 | 122.4° | 114.0° |
| C21 | C06 | C07 | C05 | 120.7° | 113.7° |
| C21 | C06 | C07 | C20 | 126.8° | 55.6° |
| C21 | C06 | C11 | C05 | 117.0° | 118.5° |
| C21 | C06 | C11 | C10 | 167.3° | 173.8° |
| C21 | C06 | C05 | O22 | 71.0° | 44.8° |
| C21 | C06 | C05 | C04 | 73.7° | 71.3° |
| C21 | C06 | C05 | H8 | 178.9° | 166.8° |
| C21 | C06 | C07 | H9 | 5.1° | 64.7° |
| C21 | C06 | C11 | H14 | 75.0° | 65.6° |
| C06 | C21 | H27 | H28 | 120.0° | 120.0° |
| C06 | C21 | H27 | H29 | 120.0° | 120.0° |
| C06 | C21 | H28 | H29 | 120.0° | 120.0° |
| C12 | C14 | C15 | H15 | 119.1° | 118.9° |
| C12 | C14 | C15 | H16 | 119.1° | 118.6° |
| C14 | C12 | C11 | C06 | 142.1° | 144.2° |
| C14 | C12 | C11 | C10 | 15.1° | 29.3° |
| C12 | C14 | C15 | C10 | 33.8° | 30.0° |
| C14 | C12 | C11 | H14 | 97.0° | 88.1° |
| C12 | C14 | H15 | H16 | 122.4° | 122.8° |
| C12 | C14 | C15 | H17 | 152.9° | 88.3° |
| C12 | C14 | C15 | H18 | 85.2° | 148.5° |
| C11 | C12 | C14 | C15 | 11.1° | 1.3° |
| C12 | C11 | C06 | C07 | 75.1° | 51.2° |
| C12 | C11 | C06 | C10 | 121.2° | 113.0° |
| C12 | C11 | C06 | H14 | 121.1° | 126.4° |
| C12 | C11 | C06 | C05 | 163.1° | 179.3° |
| C12 | C11 | C10 | H14 | 112.1° | 116.0° |
| C12 | C11 | C10 | C09 | 82.5° | 67.9° |
| C12 | C11 | C10 | C15 | 35.7° | 46.4° |
| C12 | C11 | C10 | C16 | 153.0° | 163.4° |
| C11 | C12 | C14 | H15 | 108.1° | 117.6° |
| C11 | C12 | C14 | H16 | 130.2° | 119.9° |
| C07 | C08 | C09 | H10 | 120.0° | 120.2° |
| C07 | C08 | C09 | H11 | 120.0° | 118.6° |
| C08 | C07 | C06 | C20 | 118.5° | 123.0° |
| C08 | C07 | C06 | H9 | 119.7° | 116.6° |
| C08 | C07 | C20 | H9 | 115.1° | 119.4° |
| C08 | C07 | C06 | C11 | 7.7° | 67.3° |
| C08 | C07 | C06 | C05 | 124.6° | 65.0° |
| C07 | C08 | C09 | C10 | 57.9° | 58.5° |
| C07 | C08 | H10 | H11 | 119.9° | 121.5° |
| C07 | C08 | C09 | H12 | 62.8° | 179.7° |
| C07 | C08 | C09 | H13 | 178.6° | 62.4° |
| C08 | C07 | C20 | H24 | 180.0° | 179.3° |
| C08 | C07 | C20 | H25 | 60.0° | 59.3° |
| C08 | C07 | C20 | H26 | 60.0° | 60.6° |
| C09 | C08 | C07 | C06 | 58.9° | 62.6° |
| C09 | C08 | C07 | C20 | 66.2° | 173.4° |
| C08 | C09 | C10 | C11 | 4.1° | 57.3° |
| C08 | C09 | C10 | H12 | 120.7° | 121.0° |
| C08 | C09 | C10 | H13 | 120.7° | 120.6° |
| C08 | C09 | C10 | C15 | 109.3° | 165.6° |
| C08 | C09 | C10 | C16 | 128.3° | 69.1° |
| C09 | C08 | C07 | H9 | 178.2° | 53.9° |
| C09 | C08 | H10 | H11 | 119.9° | 120.9° |
| C08 | C09 | H12 | H13 | 117.9° | 117.9° |
| C14 | C15 | C10 | C11 | 43.6° | 48.0° |
| C14 | C15 | C10 | C09 | 75.0° | 69.4° |
| C14 | C15 | C10 | H17 | 119.1° | 118.3° |
| C14 | C15 | C10 | H18 | 119.1° | 117.7° |
| C14 | C15 | C10 | C16 | 161.6° | 163.6° |
| C15 | C14 | H15 | H16 | 122.5° | 122.8° |
| C14 | C15 | H17 | H18 | 122.8° | 122.8° |
| C06 | C07 | C20 | H9 | 121.0° | 120.0° |
| C07 | C06 | C11 | C05 | 121.9° | 129.4° |
| C07 | C06 | C11 | C10 | 46.2° | 61.8° |
| C07 | C06 | C05 | O22 | 50.2° | 67.3° |
| C07 | C06 | C05 | C04 | 165.1° | 176.7° |
| C07 | C06 | C05 | H8 | 59.9° | 54.7° |
| C06 | C07 | C08 | H10 | 179.0° | 57.4° |
| C06 | C07 | C08 | H11 | 61.1° | 178.9° |
| C07 | C06 | C11 | H14 | 163.9° | 177.6° |
| C06 | C07 | C20 | H24 | 56.0° | 60.0° |
| C06 | C07 | C20 | H25 | 176.0° | 180.0° |
| C06 | C07 | C20 | H26 | 63.9° | 60.0° |
| C07 | C06 | C21 | H27 | 180.0° | 56.9° |
| C07 | C06 | C21 | H28 | 60.0° | 63.0° |
| C07 | C06 | C21 | H29 | 60.0° | 177.0° |
| C20 | C07 | C06 | C11 | 110.8° | 169.6° |
| C20 | C07 | C06 | C05 | 6.1° | 58.0° |
| C20 | C07 | C08 | H10 | 53.9° | 66.7° |
| C20 | C07 | C08 | H11 | 173.8° | 54.9° |
| C07 | C20 | H24 | H25 | 120.0° | 120.0° |
| C07 | C20 | H24 | H26 | 120.0° | 120.1° |
| C07 | C20 | H25 | H26 | 120.0° | 120.0° |
| C06 | C11 | C10 | H14 | 117.5° | 121.2° |
| C06 | C11 | C10 | C09 | 48.0° | 54.9° |
| C06 | C11 | C10 | C15 | 166.1° | 169.2° |
| C06 | C11 | C10 | C16 | 76.5° | 73.9° |
| C11 | C06 | C05 | O22 | 170.0° | 163.6° |
| C11 | C06 | C05 | C04 | 45.3° | 47.5° |
| C11 | C06 | C05 | H8 | 59.9° | 74.4° |
| C11 | C06 | C07 | H9 | 127.5° | 49.3° |
| C11 | C06 | C21 | H27 | 58.4° | 60.0° |
| C11 | C06 | C21 | H28 | 61.6° | 180.0° |
| C11 | C06 | C21 | H29 | 178.5° | 60.0° |
| C05 | C06 | C11 | C10 | 75.7° | 67.6° |
| C06 | C05 | O22 | C23 | 67.2° | 130.7° |
| C06 | C05 | O22 | C04 | 143.1° | 112.4° |
| C06 | C05 | O22 | H8 | 109.8° | 123.5° |
| C06 | C05 | C04 | H8 | 105.0° | 120.3° |
| C06 | C05 | C04 | C03 | 110.4° | 126.1° |
| C06 | C05 | C04 | H6 | 10.0° | 115.0° |
| C06 | C05 | C04 | H7 | 129.1° | 0.3° |
| C05 | C06 | C07 | H9 | 115.6° | 178.4° |
| C05 | C06 | C11 | H14 | 42.0° | 53.0° |
| C05 | C06 | C21 | H27 | 56.5° | 174.5° |
| C05 | C06 | C21 | H28 | 176.5° | 54.5° |
| C05 | C06 | C21 | H29 | 63.6° | 65.5° |
| O24 | C23 | C25 | S26 | 2.9° | 0.1° |
| O24 | C23 | C25 | O22 | 180.0° | 179.9° |
| O24 | C23 | O22 | C05 | 9.1° | 4.8° |
| O24 | C23 | C25 | H30 | 122.7° | 119.9° |
| O24 | C23 | C25 | H31 | 117.0° | 120.0° |
| C11 | C10 | C09 | C15 | 113.3° | 108.3° |
| C11 | C10 | C09 | C16 | 124.2° | 126.4° |
| C11 | C10 | C15 | C16 | 118.0° | 115.7° |
| C11 | C10 | C16 | C17 | 46.4° | 32.1° |
| C11 | C10 | C16 | C19 | 175.2° | 154.5° |
| C11 | C10 | C09 | H12 | 116.6° | 178.3° |
| C11 | C10 | C09 | H13 | 124.8° | 63.3° |
| C11 | C10 | C15 | H17 | 162.6° | 70.3° |
| C11 | C10 | C15 | H18 | 75.5° | 165.7° |
| C11 | C10 | C16 | H19 | 67.9° | 93.6° |
| C09 | C10 | C15 | C16 | 123.3° | 127.0° |
| C09 | C10 | C16 | C17 | 170.7° | 159.7° |
| C09 | C10 | C16 | C19 | 60.5° | 77.9° |
| C10 | C09 | C08 | H10 | 178.0° | 61.8° |
| C10 | C09 | C08 | H11 | 62.1° | 177.1° |
| C10 | C09 | H12 | H13 | 117.9° | 118.6° |
| C09 | C10 | C11 | H14 | 165.4° | 176.1° |
| C09 | C10 | C15 | H17 | 44.0° | 172.3° |
| C09 | C10 | C15 | H18 | 165.9° | 48.4° |
| C09 | C10 | C16 | H19 | 56.4° | 34.1° |
| C27 | S26 | C25 | C23 | 167.7° | 179.9° |
| S26 | C27 | N28 | N31 | 178.9° | 179.7° |
| S26 | C27 | N28 | C29 | 178.7° | 179.7° |
| S26 | C27 | N31 | N30 | 178.7° | 179.7° |
| C27 | S26 | C25 | H30 | 47.8° | 60.0° |
| C27 | S26 | C25 | H31 | 72.5° | 60.0° |
| S26 | C25 | C23 | H30 | 119.8° | 120.0° |
| S26 | C25 | C23 | H31 | 119.8° | 120.0° |
| S26 | C25 | C23 | O22 | 177.2° | 180.0° |
| C25 | S26 | C27 | N28 | 90.6° | 179.7° |
| C25 | S26 | C27 | N31 | 90.5° | 0.1° |
| S26 | C25 | H30 | H31 | 120.6° | 120.0° |
| C15 | C10 | C16 | C17 | 66.5° | 76.6° |
| C15 | C10 | C16 | C19 | 62.3° | 45.8° |
| C15 | C10 | C09 | H12 | 130.0° | 73.4° |
| C15 | C10 | C09 | H13 | 11.4° | 45.0° |
| C15 | C10 | C11 | H14 | 76.4° | 69.6° |
| C10 | C15 | C14 | H15 | 85.3° | 88.9° |
| C10 | C15 | C14 | H16 | 153.0° | 148.6° |
| C10 | C15 | H17 | H18 | 122.7° | 124.1° |
| C15 | C10 | C16 | H19 | 179.2° | 157.8° |
| C25 | C23 | O22 | C05 | 170.9° | 175.1° |
| C23 | C25 | H30 | H31 | 120.5° | 120.0° |
| C23 | O22 | C05 | C04 | 75.9° | 117.0° |
| C23 | O22 | C05 | H8 | 177.0° | 7.2° |
| O22 | C23 | C25 | H30 | 57.3° | 60.0° |
| O22 | C23 | C25 | H31 | 63.0° | 60.1° |
| C10 | C16 | C17 | C19 | 128.0° | 122.8° |
| C10 | C16 | C17 | H19 | 114.5° | 125.2° |
| C10 | C16 | C19 | H19 | 116.6° | 113.7° |
| C10 | C16 | C17 | C03 | 108.8° | 99.4° |
| C10 | C16 | C17 | O18 | 130.4° | 137.6° |
| C16 | C10 | C09 | H12 | 7.6° | 51.9° |
| C16 | C10 | C09 | H13 | 111.1° | 170.3° |
| C16 | C10 | C11 | H14 | 40.9° | 47.4° |
| C16 | C10 | C15 | H17 | 79.3° | 45.3° |
| C16 | C10 | C15 | H18 | 42.5° | 78.6° |
| C10 | C16 | C17 | H20 | 10.8° | 24.0° |
| C10 | C16 | C19 | H21 | 180.0° | 59.9° |
| C10 | C16 | C19 | H22 | 60.0° | 180.0° |
| C10 | C16 | C19 | H23 | 60.0° | 60.0° |
| C27 | N28 | C29 | N32 | 179.8° | 180.0° |
| C27 | N28 | C29 | N30 | 0.2° | 0.0° |
| N28 | C27 | N31 | N30 | 0.2° | 0.0° |
| C29 | N28 | C27 | N31 | 0.2° | 0.0° |
| N28 | C29 | N32 | N30 | 180.0° | 180.0° |
| N28 | C29 | N30 | N31 | 0.1° | 0.0° |
| N28 | C29 | N32 | H36 | 0.0° | 179.9° |
| N28 | C29 | N32 | H37 | 120.0° | 0.0° |
| N28 | C29 | N30 | H35 | 179.9° | 180.0° |
| O22 | C05 | C04 | H8 | 107.4° | 121.1° |
| O22 | C05 | C04 | C03 | 102.0° | 115.3° |
| O22 | C05 | C04 | H6 | 137.6° | 3.5° |
| O22 | C05 | C04 | H7 | 18.5° | 118.9° |
| C05 | C04 | C03 | H6 | 120.5° | 119.0° |
| C05 | C04 | C03 | H7 | 120.4° | 127.7° |
| C05 | C04 | C03 | C17 | 69.3° | 76.9° |
| C05 | C04 | C03 | C33 | 171.0° | 166.5° |
| C05 | C04 | C03 | C02 | 49.6° | 43.4° |
| C05 | C04 | H6 | H7 | 118.6° | 119.9° |
| C27 | N31 | N30 | C29 | 0.1° | 0.0° |
| C27 | N31 | N30 | H35 | 180.0° | 179.9° |
| N32 | C29 | N30 | N31 | 179.9° | 180.0° |
| C29 | N32 | H36 | H37 | 120.0° | 180.0° |
| N32 | C29 | N30 | H35 | 0.1° | 0.0° |
| C29 | N30 | N31 | H35 | 180.0° | 180.0° |
| N30 | C29 | N32 | H36 | 180.0° | 0.1° |
| N30 | C29 | N32 | H37 | 60.0° | 180.0° |
| C04 | C03 | C17 | C16 | 68.6° | 59.2° |
| C04 | C03 | C17 | C33 | 121.1° | 116.5° |
| C04 | C03 | C17 | C02 | 121.5° | 121.0° |
| C04 | C03 | C17 | O18 | 168.8° | 177.8° |
| C04 | C03 | C33 | C02 | 121.7° | 125.0° |
| C04 | C03 | C02 | C01 | 58.5° | 65.3° |
| C04 | C03 | C02 | H4 | 62.9° | 174.7° |
| C04 | C03 | C02 | H5 | 179.9° | 54.7° |
| C03 | C04 | H6 | H7 | 118.7° | 115.4° |
| C03 | C04 | C05 | H8 | 5.4° | 5.8° |
| C04 | C03 | C17 | H20 | 50.7° | 64.3° |
| C04 | C03 | C33 | H32 | 180.0° | 175.0° |
| C04 | C03 | C33 | H33 | 60.0° | 55.0° |
| C04 | C03 | C33 | H34 | 60.0° | 65.0° |
| C17 | C16 | C19 | H19 | 117.1° | 114.4° |
| C16 | C17 | C03 | O18 | 122.6° | 123.1° |
| C16 | C17 | C03 | H20 | 119.4° | 123.5° |
| C16 | C17 | O18 | H20 | 118.5° | 114.7° |
| C16 | C17 | C03 | C33 | 170.3° | 175.7° |
| C16 | C17 | C03 | C02 | 52.9° | 61.8° |
| C17 | C16 | C19 | H21 | 53.8° | 72.0° |
| C17 | C16 | C19 | H22 | 173.8° | 48.0° |
| C17 | C16 | C19 | H23 | 66.2° | 168.0° |
| C16 | C17 | O18 | H38 | 180.0° | 60.0° |
| C19 | C16 | C17 | C03 | 123.2° | 137.8° |
| C19 | C16 | C17 | O18 | 2.4° | 14.8° |
| C19 | C16 | C17 | H20 | 117.1° | 98.8° |
| C16 | C19 | H21 | H22 | 120.0° | 120.0° |
| C16 | C19 | H21 | H23 | 120.0° | 120.0° |
| C16 | C19 | H22 | H23 | 120.0° | 120.0° |
| C03 | C17 | O18 | H20 | 117.1° | 114.3° |
| C17 | C03 | C33 | C02 | 114.7° | 123.9° |
| C17 | C03 | C02 | C01 | 178.0° | 179.3° |
| C17 | C03 | C02 | H4 | 60.6° | 60.6° |
| C17 | C03 | C02 | H5 | 56.6° | 59.4° |
| C17 | C03 | C04 | H6 | 51.1° | 164.0° |
| C17 | C03 | C04 | H7 | 170.3° | 50.8° |
| C03 | C17 | C16 | H19 | 5.6° | 25.8° |
| C17 | C03 | C33 | H32 | 56.3° | 63.9° |
| C17 | C03 | C33 | H33 | 63.6° | 56.1° |
| C17 | C03 | C33 | H34 | 176.4° | 176.0° |
| C03 | C17 | O18 | H38 | 55.6° | 169.0° |
| O18 | C17 | C03 | C33 | 47.7° | 61.3° |
| O18 | C17 | C03 | C02 | 69.7° | 61.2° |
| O18 | C17 | C16 | H19 | 115.1° | 97.2° |
| C33 | C03 | C02 | C01 | 62.6° | 58.0° |
| C33 | C03 | C02 | H4 | 176.0° | 62.0° |
| C33 | C03 | C02 | H5 | 58.8° | 177.9° |
| C33 | C03 | C04 | H6 | 68.5° | 47.5° |
| C33 | C03 | C04 | H7 | 50.6° | 65.8° |
| C33 | C03 | C17 | H20 | 70.3° | 52.1° |
| C03 | C33 | H32 | H33 | 120.0° | 120.0° |
| C03 | C33 | H32 | H34 | 120.0° | 120.0° |
| C03 | C33 | H33 | H34 | 120.0° | 120.0° |
| C03 | C02 | C01 | H4 | 121.4° | 120.1° |
| C03 | C02 | C01 | H5 | 121.3° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 173.4° |
| C03 | C02 | C01 | H2 | 60.0° | 66.5° |
| C03 | C02 | C01 | H3 | 60.0° | 53.4° |
| C03 | C02 | H4 | H5 | 115.7° | 120.1° |
| C02 | C03 | C04 | H6 | 170.1° | 75.6° |
| C02 | C03 | C04 | H7 | 70.8° | 171.1° |
| C02 | C03 | C17 | H20 | 172.3° | 174.7° |
| C02 | C03 | C33 | H32 | 58.4° | 60.0° |
| C02 | C03 | C33 | H33 | 178.3° | 180.0° |
| C02 | C03 | C33 | H34 | 61.7° | 60.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 115.7° | 119.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 58.7° | 66.5° |
| H1 | C01 | C02 | H5 | 58.6° | 53.4° |
| H2 | C01 | C02 | H4 | 178.6° | 53.6° |
| H2 | C01 | C02 | H5 | 61.3° | 173.5° |
| H3 | C01 | C02 | H4 | 61.4° | 173.5° |
| H3 | C01 | C02 | H5 | 178.7° | 66.6° |
| H6 | C04 | C05 | H8 | 115.0° | 124.6° |
| H7 | C04 | C05 | H8 | 125.9° | 120.0° |
| H9 | C07 | C08 | H10 | 61.7° | 173.8° |
| H9 | C07 | C08 | H11 | 58.2° | 64.6° |
| H9 | C07 | C20 | H24 | 64.9° | 60.0° |
| H9 | C07 | C20 | H25 | 55.1° | 60.0° |
| H9 | C07 | C20 | H26 | 175.1° | 180.0° |
| H10 | C08 | C09 | H12 | 57.3° | 59.5° |
| H10 | C08 | C09 | H13 | 61.4° | 177.4° |
| H11 | C08 | C09 | H12 | 177.2° | 61.6° |
| H11 | C08 | C09 | H13 | 58.6° | 56.3° |
| H15 | C14 | C15 | H17 | 33.7° | 152.8° |
| H15 | C14 | C15 | H18 | 155.6° | 29.6° |
| H16 | C14 | C15 | H17 | 88.0° | 30.3° |
| H16 | C14 | C15 | H18 | 33.9° | 92.9° |
| H19 | C16 | C17 | H20 | 125.3° | 149.2° |
| H19 | C16 | C19 | H21 | 63.4° | 173.6° |
| H19 | C16 | C19 | H22 | 56.7° | 66.4° |
| H19 | C16 | C19 | H23 | 176.6° | 53.7° |
| H20 | C17 | O18 | H38 | 61.5° | 54.7° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| H32 | C33 | H33 | H34 | 120.0° | 120.0° |
