YID
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | sing | 1.50Å | 1.56Å | |
| C03 | C04 | sing | 1.53Å | 1.47Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N31 | sing | 1.33Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.45Å | |
| C18 | N17 | doub | 1.30Å | 1.33Å | Aromatic |
| C18 | C14 | sing | 1.42Å | 1.41Å | Aromatic |
| N17 | O16 | sing | 1.21Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.48Å | |
| N31 | C06 | sing | 1.46Å | 1.56Å | |
| N31 | C32 | sing | 1.40Å | 1.42Å | |
| N08 | C09 | sing | 1.36Å | 1.36Å | Aromatic |
| N08 | C07 | doub | 1.30Å | 1.33Å | Aromatic |
| C41 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| O16 | C15 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.53Å | |
| C14 | C15 | doub | 1.37Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C07 | N22 | sing | 1.36Å | 1.36Å | Aromatic |
| C40 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.53Å | |
| C10 | N22 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.51Å | |
| C39 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C28 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | C38 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | O29 | sing | 1.43Å | 1.42Å | |
| O29 | C30 | sing | 1.43Å | 1.40Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.08Å | 1.08Å | |
| C40 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | N17 | 123.2° | 126.9° |
| C19 | C18 | C14 | 129.2° | 126.8° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C02 | C03 | C04 | 112.4° | 109.9° |
| C03 | C02 | O01 | 125.3° | 118.3° |
| C03 | C02 | N31 | 116.4° | 123.5° |
| C02 | C03 | H10 | 108.7° | 109.4° |
| C02 | C03 | H11 | 108.7° | 109.4° |
| C03 | C04 | C05 | 109.4° | 108.5° |
| C04 | C03 | H10 | 108.7° | 109.4° |
| C04 | C03 | H11 | 108.7° | 109.4° |
| C03 | C04 | H12 | 109.5° | 109.7° |
| C03 | C04 | H13 | 109.5° | 109.7° |
| O01 | C02 | N31 | 118.2° | 118.2° |
| C02 | N31 | C06 | 119.1° | 124.1° |
| C02 | N31 | C32 | 121.3° | 118.0° |
| C04 | C05 | C06 | 111.1° | 108.6° |
| C05 | C04 | H12 | 109.5° | 109.7° |
| C05 | C04 | H13 | 109.5° | 109.6° |
| C04 | C05 | H14 | 109.1° | 109.7° |
| C04 | C05 | H15 | 109.1° | 109.6° |
| N17 | C18 | C14 | 107.6° | 106.3° |
| C18 | N17 | O16 | 105.7° | 111.9° |
| C18 | C14 | C13 | 125.1° | 128.2° |
| C18 | C14 | C15 | 110.1° | 103.6° |
| N17 | O16 | C15 | 113.1° | 111.8° |
| C05 | C06 | N31 | 115.5° | 110.5° |
| C05 | C06 | C07 | 108.9° | 109.3° |
| C06 | C05 | H14 | 109.0° | 109.6° |
| C06 | C05 | H15 | 109.0° | 109.5° |
| C05 | C06 | H16 | 107.9° | 109.3° |
| C06 | N31 | C32 | 119.5° | 118.0° |
| N31 | C06 | C07 | 109.7° | 109.3° |
| N31 | C06 | H16 | 106.9° | 109.2° |
| N31 | C32 | C41 | 122.1° | 120.1° |
| N31 | C32 | C33 | 115.8° | 120.0° |
| C09 | N08 | C07 | 107.1° | 109.6° |
| N08 | C09 | C21 | 128.5° | 133.5° |
| N08 | C09 | C10 | 108.3° | 106.9° |
| N08 | C07 | C06 | 124.0° | 124.9° |
| N08 | C07 | N22 | 110.6° | 110.2° |
| C32 | C41 | C40 | 116.5° | 119.9° |
| C41 | C32 | C33 | 121.9° | 119.9° |
| C32 | C41 | H42 | 121.8° | 120.0° |
| C41 | C40 | C39 | 122.3° | 120.1° |
| C41 | C40 | H41 | 118.8° | 120.0° |
| C40 | C41 | H42 | 121.8° | 120.0° |
| C09 | C21 | C13 | 118.7° | 119.7° |
| C21 | C09 | C10 | 123.1° | 119.6° |
| C09 | C21 | H4 | 120.6° | 120.2° |
| C21 | C13 | C14 | 122.2° | 119.9° |
| C21 | C13 | C12 | 119.8° | 120.2° |
| C13 | C21 | H4 | 120.7° | 120.1° |
| O16 | C15 | C14 | 103.4° | 106.3° |
| O16 | C15 | C20 | 125.6° | 126.9° |
| C13 | C14 | C15 | 124.7° | 128.2° |
| C14 | C13 | C12 | 118.0° | 119.9° |
| C14 | C15 | C20 | 130.6° | 126.8° |
| C06 | C07 | N22 | 125.3° | 124.9° |
| C07 | C06 | H16 | 107.7° | 109.3° |
| C32 | C33 | C34 | 120.5° | 119.9° |
| C32 | C33 | H30 | 119.8° | 120.1° |
| C09 | C10 | N22 | 107.9° | 106.0° |
| C09 | C10 | C11 | 118.1° | 120.1° |
| C07 | N22 | C10 | 106.0° | 107.3° |
| C07 | N22 | C23 | 123.1° | 126.4° |
| C40 | C39 | C34 | 121.1° | 120.1° |
| C40 | C39 | H40 | 119.4° | 119.9° |
| C39 | C40 | H41 | 118.9° | 119.9° |
| C13 | C12 | C11 | 120.4° | 120.4° |
| C13 | C12 | H18 | 119.8° | 119.8° |
| C15 | C20 | H1 | 109.5° | 109.5° |
| C15 | C20 | H2 | 109.5° | 109.5° |
| C15 | C20 | H3 | 109.5° | 109.5° |
| N22 | C10 | C11 | 134.0° | 133.9° |
| C10 | N22 | C23 | 130.8° | 126.3° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | H17 | 120.1° | 119.9° |
| C33 | C34 | C39 | 117.7° | 120.1° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C34 | C33 | H30 | 119.8° | 120.0° |
| N22 | C23 | C24 | 109.2° | 109.5° |
| N22 | C23 | C28 | 104.8° | 109.5° |
| N22 | C23 | H22 | 110.6° | 109.5° |
| C39 | C34 | C35 | 122.0° | 120.0° |
| C34 | C39 | H40 | 119.4° | 119.9° |
| C12 | C11 | H17 | 120.0° | 120.1° |
| C11 | C12 | H18 | 119.8° | 119.8° |
| C34 | C35 | C36 | 110.6° | 109.5° |
| C34 | C35 | C37 | 111.3° | 109.5° |
| C34 | C35 | C38 | 106.4° | 109.4° |
| C24 | C23 | C28 | 111.3° | 109.5° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C23 | C24 | H5 | 108.9° | 109.4° |
| C23 | C24 | H6 | 109.0° | 109.5° |
| C24 | C23 | H22 | 110.4° | 109.5° |
| C23 | C28 | C27 | 109.2° | 109.5° |
| C23 | C28 | H8 | 109.6° | 109.4° |
| C23 | C28 | H9 | 109.6° | 109.5° |
| C28 | C23 | H22 | 110.3° | 109.5° |
| C24 | C25 | C26 | 110.6° | 109.5° |
| C25 | C24 | H5 | 109.0° | 109.5° |
| C25 | C24 | H6 | 109.0° | 109.5° |
| C24 | C25 | H23 | 109.2° | 109.5° |
| C24 | C25 | H24 | 109.2° | 109.5° |
| C36 | C35 | C37 | 115.6° | 109.5° |
| C36 | C35 | C38 | 108.1° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C35 | C36 | H32 | 109.4° | 109.5° |
| C35 | C36 | H33 | 109.5° | 109.4° |
| C37 | C35 | C38 | 104.1° | 109.5° |
| C35 | C37 | H34 | 109.5° | 109.5° |
| C35 | C37 | H35 | 109.4° | 109.5° |
| C35 | C37 | H36 | 109.5° | 109.4° |
| C35 | C38 | H37 | 109.5° | 109.5° |
| C35 | C38 | H38 | 109.5° | 109.4° |
| C35 | C38 | H39 | 109.5° | 109.5° |
| C28 | C27 | C26 | 116.9° | 109.5° |
| C27 | C28 | H8 | 109.5° | 109.5° |
| C27 | C28 | H9 | 109.5° | 109.5° |
| C28 | C27 | H25 | 107.6° | 109.4° |
| C28 | C27 | H26 | 107.5° | 109.5° |
| C25 | C26 | C27 | 124.2° | 109.5° |
| C25 | C26 | O29 | 113.6° | 109.5° |
| C25 | C26 | H7 | 99.3° | 109.5° |
| C26 | C25 | H23 | 109.2° | 109.5° |
| C26 | C25 | H24 | 109.2° | 109.4° |
| C27 | C26 | O29 | 114.1° | 109.5° |
| C27 | C26 | H7 | 99.3° | 109.5° |
| C26 | C27 | H25 | 107.6° | 109.5° |
| C26 | C27 | H26 | 107.6° | 109.4° |
| C26 | O29 | C30 | 109.0° | 114.0° |
| O29 | C26 | H7 | 100.1° | 109.4° |
| O29 | C30 | H27 | 109.5° | 109.5° |
| O29 | C30 | H28 | 109.5° | 109.4° |
| O29 | C30 | H29 | 109.5° | 109.5° |
| H1 | C20 | H2 | 109.5° | 109.4° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.7° |
| H14 | C05 | H15 | 109.5° | 109.8° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.4° | 109.5° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H34 | C37 | H35 | 109.5° | 109.5° |
| H34 | C37 | H36 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.5° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H37 | C38 | H39 | 109.5° | 109.5° |
| H38 | C38 | H39 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | N17 | C14 | 178.0° | 179.7° |
| C19 | C18 | N17 | O16 | 179.3° | 179.9° |
| C19 | C18 | C14 | C13 | 0.1° | 0.3° |
| C19 | C18 | C14 | C15 | 177.2° | 179.8° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.1° |
| C02 | C03 | C04 | H10 | 120.4° | 120.1° |
| C02 | C03 | C04 | H11 | 120.4° | 120.1° |
| C03 | C02 | O01 | N31 | 174.5° | 179.7° |
| C02 | C03 | C04 | C05 | 61.0° | 49.0° |
| C03 | C02 | N31 | C06 | 4.2° | 2.4° |
| C03 | C02 | N31 | C32 | 179.5° | 177.8° |
| C02 | C03 | H10 | H11 | 118.6° | 119.8° |
| C02 | C03 | C04 | H12 | 59.0° | 70.8° |
| C02 | C03 | C04 | H13 | 179.0° | 168.6° |
| C04 | C03 | C02 | O01 | 156.4° | 162.7° |
| C04 | C03 | C02 | N31 | 29.0° | 17.7° |
| C03 | C04 | C05 | H12 | 120.0° | 119.8° |
| C03 | C04 | C05 | H13 | 120.0° | 119.7° |
| C03 | C04 | C05 | C06 | 67.7° | 67.5° |
| C04 | C03 | H10 | H11 | 118.7° | 119.8° |
| C03 | C04 | H12 | H13 | 120.0° | 120.6° |
| C03 | C04 | C05 | H14 | 172.1° | 172.7° |
| C03 | C04 | C05 | H15 | 52.6° | 52.1° |
| O01 | C02 | N31 | C06 | 179.2° | 178.0° |
| O01 | C02 | N31 | C32 | 5.5° | 1.9° |
| O01 | C02 | C03 | H10 | 35.9° | 42.6° |
| O01 | C02 | C03 | H11 | 83.2° | 77.1° |
| C02 | N31 | C06 | C05 | 10.3° | 19.2° |
| C02 | N31 | C06 | C32 | 175.3° | 179.9° |
| C02 | N31 | C32 | C41 | 78.1° | 112.8° |
| C02 | N31 | C06 | C07 | 133.7° | 139.5° |
| C02 | N31 | C32 | C33 | 107.2° | 67.0° |
| N31 | C02 | C03 | H10 | 149.5° | 137.8° |
| N31 | C02 | C03 | H11 | 91.4° | 102.5° |
| C02 | N31 | C06 | H16 | 109.8° | 101.0° |
| C04 | C05 | C06 | H14 | 120.3° | 119.8° |
| C04 | C05 | C06 | H15 | 120.2° | 119.7° |
| C04 | C05 | C06 | N31 | 41.3° | 50.8° |
| C04 | C05 | C06 | C07 | 165.2° | 171.0° |
| C05 | C04 | C03 | H10 | 178.6° | 169.0° |
| C05 | C04 | C03 | H11 | 59.4° | 71.2° |
| C05 | C04 | H12 | H13 | 120.0° | 120.4° |
| C04 | C05 | H14 | H15 | 119.3° | 120.5° |
| C04 | C05 | C06 | H16 | 78.2° | 69.4° |
| C18 | N17 | O16 | C15 | 2.9° | 0.5° |
| N17 | C18 | C14 | C13 | 177.7° | 180.0° |
| N17 | C18 | C14 | C15 | 0.6° | 0.1° |
| N17 | C18 | C19 | H19 | 0.0° | 90.0° |
| N17 | C18 | C19 | H20 | 120.0° | 150.0° |
| N17 | C18 | C19 | H21 | 120.0° | 30.0° |
| C14 | C18 | N17 | O16 | 1.3° | 0.3° |
| C18 | C14 | C13 | C21 | 44.3° | 64.8° |
| C18 | C14 | C15 | O16 | 2.2° | 0.2° |
| C18 | C14 | C13 | C15 | 176.8° | 179.9° |
| C18 | C14 | C13 | C12 | 134.3° | 115.0° |
| C18 | C14 | C15 | C20 | 175.8° | 180.0° |
| C14 | C18 | C19 | H19 | 177.5° | 89.6° |
| C14 | C18 | C19 | H20 | 57.5° | 30.3° |
| C14 | C18 | C19 | H21 | 62.5° | 150.4° |
| N17 | O16 | C15 | C14 | 3.1° | 0.4° |
| N17 | O16 | C15 | C20 | 177.1° | 179.8° |
| C05 | C06 | N31 | C07 | 123.5° | 120.3° |
| C05 | C06 | N31 | H16 | 120.1° | 120.2° |
| C05 | C06 | N31 | C32 | 174.4° | 161.0° |
| C05 | C06 | C07 | N08 | 82.3° | 75.0° |
| C05 | C06 | C07 | H16 | 116.7° | 119.5° |
| C05 | C06 | C07 | N22 | 94.5° | 105.0° |
| C06 | C05 | C04 | H12 | 52.3° | 52.3° |
| C06 | C05 | C04 | H13 | 172.4° | 172.8° |
| C06 | C05 | H14 | H15 | 119.2° | 120.3° |
| N31 | C06 | C07 | N08 | 45.0° | 46.0° |
| C06 | N31 | C32 | C41 | 106.7° | 67.1° |
| N31 | C06 | C07 | H16 | 116.0° | 119.4° |
| C06 | N31 | C32 | C33 | 68.1° | 113.2° |
| N31 | C06 | C07 | N22 | 138.2° | 133.9° |
| N31 | C06 | C05 | H14 | 161.5° | 170.6° |
| N31 | C06 | C05 | H15 | 79.0° | 69.0° |
| N31 | C32 | C41 | C33 | 174.4° | 179.8° |
| N31 | C32 | C41 | C40 | 175.1° | 179.7° |
| C32 | N31 | C06 | C07 | 50.9° | 40.7° |
| N31 | C32 | C33 | C34 | 174.9° | 179.7° |
| C32 | N31 | C06 | H16 | 65.6° | 78.8° |
| N31 | C32 | C33 | H30 | 5.1° | 0.3° |
| N31 | C32 | C41 | H42 | 4.9° | 0.2° |
| N08 | C09 | C21 | C10 | 175.0° | 180.0° |
| N08 | C09 | C21 | C13 | 177.1° | 179.9° |
| C09 | N08 | C07 | C06 | 178.7° | 180.0° |
| C09 | N08 | C07 | N22 | 4.1° | 0.0° |
| N08 | C09 | C10 | N22 | 2.4° | 0.0° |
| N08 | C09 | C10 | C11 | 176.7° | 179.8° |
| N08 | C09 | C21 | H4 | 2.9° | 0.0° |
| C07 | N08 | C09 | C21 | 179.6° | 180.0° |
| N08 | C07 | C06 | N22 | 176.8° | 180.0° |
| C07 | N08 | C09 | C10 | 4.0° | 0.0° |
| N08 | C07 | N22 | C10 | 2.6° | 0.0° |
| N08 | C07 | N22 | C23 | 179.6° | 179.8° |
| N08 | C07 | C06 | H16 | 161.0° | 165.5° |
| C32 | C41 | C40 | H42 | 180.0° | 179.9° |
| C32 | C41 | C40 | C39 | 0.7° | 0.0° |
| C41 | C32 | C33 | C34 | 0.1° | 0.0° |
| C41 | C32 | C33 | H30 | 179.9° | 180.0° |
| C32 | C41 | C40 | H41 | 179.3° | 180.0° |
| C40 | C41 | C32 | C33 | 0.7° | 0.1° |
| C41 | C40 | C39 | H41 | 180.0° | 180.0° |
| C41 | C40 | C39 | C34 | 2.9° | 0.0° |
| C41 | C40 | C39 | H40 | 177.1° | 179.9° |
| C09 | C21 | C13 | H4 | 180.0° | 179.9° |
| C09 | C21 | C13 | C14 | 179.1° | 179.9° |
| C09 | C21 | C13 | C12 | 2.3° | 0.4° |
| C21 | C09 | C10 | N22 | 178.3° | 180.0° |
| C21 | C09 | C10 | C11 | 0.8° | 0.2° |
| C21 | C13 | C14 | C12 | 178.7° | 179.8° |
| C21 | C13 | C14 | C15 | 138.9° | 115.3° |
| C13 | C21 | C09 | C10 | 2.0° | 0.1° |
| C21 | C13 | C12 | C11 | 1.4° | 0.3° |
| C21 | C13 | C12 | H18 | 178.6° | 180.0° |
| O16 | C15 | C14 | C13 | 179.4° | 179.7° |
| O16 | C15 | C14 | C20 | 173.6° | 179.7° |
| O16 | C15 | C20 | H1 | 0.0° | 90.3° |
| O16 | C15 | C20 | H2 | 120.0° | 29.7° |
| O16 | C15 | C20 | H3 | 120.0° | 149.7° |
| C13 | C14 | C15 | C20 | 7.1° | 0.1° |
| C14 | C13 | C12 | C11 | 179.9° | 180.0° |
| C14 | C13 | C21 | H4 | 0.9° | 0.0° |
| C14 | C13 | C12 | H18 | 0.1° | 0.3° |
| C15 | C14 | C13 | C12 | 42.4° | 64.9° |
| C14 | C15 | C20 | H1 | 172.3° | 90.0° |
| C14 | C15 | C20 | H2 | 52.3° | 150.0° |
| C14 | C15 | C20 | H3 | 67.7° | 30.0° |
| C06 | C07 | N22 | C10 | 179.8° | 180.0° |
| C06 | C07 | N22 | C23 | 3.3° | 0.2° |
| C07 | C06 | C05 | H14 | 74.5° | 69.2° |
| C07 | C06 | C05 | H15 | 45.0° | 51.3° |
| C32 | C33 | C34 | H30 | 180.0° | 180.0° |
| C32 | C33 | C34 | C39 | 1.9° | 0.0° |
| C32 | C33 | C34 | C35 | 177.9° | 180.0° |
| C33 | C32 | C41 | H42 | 179.3° | 180.0° |
| C09 | C10 | N22 | C07 | 0.1° | 0.0° |
| C09 | C10 | N22 | C11 | 178.9° | 179.7° |
| C09 | C10 | N22 | C23 | 176.7° | 179.8° |
| C09 | C10 | C11 | C12 | 0.2° | 0.3° |
| C10 | C09 | C21 | H4 | 178.0° | 180.0° |
| C09 | C10 | C11 | H17 | 179.8° | 179.7° |
| C07 | N22 | C10 | C23 | 176.6° | 179.8° |
| C07 | N22 | C10 | C11 | 179.0° | 179.7° |
| C07 | N22 | C23 | C24 | 125.3° | 120.3° |
| C07 | N22 | C23 | C28 | 115.3° | 119.8° |
| N22 | C07 | C06 | H16 | 22.2° | 14.5° |
| C07 | N22 | C23 | H22 | 3.6° | 0.3° |
| C40 | C39 | C34 | C33 | 3.4° | 0.1° |
| C40 | C39 | C34 | H40 | 180.0° | 179.9° |
| C40 | C39 | C34 | C35 | 179.3° | 180.0° |
| C39 | C40 | C41 | H42 | 179.3° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H18 | 180.0° | 179.7° |
| C12 | C13 | C21 | H4 | 177.7° | 179.7° |
| C13 | C12 | C11 | H17 | 179.9° | 179.9° |
| C15 | C20 | H1 | H2 | 120.0° | 120.0° |
| C15 | C20 | H1 | H3 | 120.0° | 120.1° |
| C15 | C20 | H2 | H3 | 120.0° | 120.0° |
| N22 | C10 | C11 | C12 | 179.0° | 180.0° |
| C10 | N22 | C23 | C24 | 58.6° | 59.9° |
| C10 | N22 | C23 | C28 | 60.8° | 60.0° |
| N22 | C10 | C11 | H17 | 1.0° | 0.0° |
| C10 | N22 | C23 | H22 | 179.7° | 180.0° |
| C11 | C10 | N22 | C23 | 4.4° | 0.1° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | H18 | 179.8° | 179.6° |
| C33 | C34 | C39 | C35 | 175.9° | 180.0° |
| C33 | C34 | C35 | C36 | 49.6° | 60.0° |
| C33 | C34 | C35 | C37 | 179.6° | 60.0° |
| C33 | C34 | C35 | C38 | 67.6° | 180.0° |
| C33 | C34 | C39 | H40 | 176.6° | 180.0° |
| N22 | C23 | C24 | C28 | 115.3° | 120.0° |
| N22 | C23 | C24 | H22 | 121.9° | 120.0° |
| N22 | C23 | C28 | H22 | 119.1° | 120.0° |
| N22 | C23 | C24 | C25 | 173.5° | 60.0° |
| N22 | C23 | C28 | C27 | 175.5° | 60.0° |
| N22 | C23 | C24 | H5 | 53.2° | 180.0° |
| N22 | C23 | C24 | H6 | 66.2° | 60.0° |
| N22 | C23 | C28 | H8 | 55.5° | 60.0° |
| N22 | C23 | C28 | H9 | 64.6° | 180.0° |
| C39 | C34 | C35 | C36 | 126.1° | 120.1° |
| C39 | C34 | C35 | C37 | 3.9° | 119.9° |
| C39 | C34 | C35 | C38 | 116.7° | 0.0° |
| C39 | C34 | C33 | H30 | 178.1° | 180.0° |
| C34 | C39 | C40 | H41 | 177.1° | 180.0° |
| C34 | C35 | C36 | C37 | 127.7° | 120.0° |
| C34 | C35 | C36 | C38 | 116.2° | 120.0° |
| C34 | C35 | C37 | C38 | 114.2° | 119.9° |
| C35 | C34 | C33 | H30 | 2.1° | 0.0° |
| C34 | C35 | C36 | H31 | 180.0° | 60.0° |
| C34 | C35 | C36 | H32 | 60.0° | 180.0° |
| C34 | C35 | C36 | H33 | 60.0° | 60.0° |
| C34 | C35 | C37 | H34 | 180.0° | 60.0° |
| C34 | C35 | C37 | H35 | 60.0° | 180.0° |
| C34 | C35 | C37 | H36 | 60.0° | 60.0° |
| C34 | C35 | C38 | H37 | 180.0° | 60.1° |
| C34 | C35 | C38 | H38 | 60.0° | 180.0° |
| C34 | C35 | C38 | H39 | 60.0° | 60.0° |
| C35 | C34 | C39 | H40 | 0.7° | 0.1° |
| C24 | C23 | C28 | H22 | 122.9° | 120.0° |
| C23 | C24 | C25 | H5 | 120.3° | 120.0° |
| C23 | C24 | C25 | H6 | 120.3° | 120.0° |
| C24 | C23 | C28 | C27 | 57.5° | 60.0° |
| C23 | C24 | C25 | C26 | 37.5° | 60.0° |
| C23 | C24 | H5 | H6 | 119.1° | 120.0° |
| C24 | C23 | C28 | H8 | 62.4° | 180.0° |
| C24 | C23 | C28 | H9 | 177.4° | 60.1° |
| C23 | C24 | C25 | H23 | 82.7° | 180.0° |
| C23 | C24 | C25 | H24 | 157.7° | 60.0° |
| C28 | C23 | C24 | C25 | 71.3° | 60.0° |
| C23 | C28 | C27 | H8 | 120.0° | 120.0° |
| C23 | C28 | C27 | H9 | 119.9° | 120.0° |
| C23 | C28 | C27 | C26 | 17.1° | 60.0° |
| C28 | C23 | C24 | H5 | 168.5° | 60.0° |
| C28 | C23 | C24 | H6 | 49.0° | 180.0° |
| C23 | C28 | H8 | H9 | 120.2° | 120.0° |
| C23 | C28 | C27 | H25 | 138.1° | 180.0° |
| C23 | C28 | C27 | H26 | 104.0° | 60.0° |
| C24 | C25 | C26 | H23 | 120.2° | 120.0° |
| C24 | C25 | C26 | H24 | 120.2° | 120.0° |
| C24 | C25 | C26 | C27 | 1.9° | 60.0° |
| C24 | C25 | C26 | O29 | 148.5° | 180.0° |
| C25 | C24 | H5 | H6 | 119.1° | 120.0° |
| C24 | C25 | C26 | H7 | 106.2° | 60.0° |
| C25 | C24 | C23 | H22 | 51.6° | 180.0° |
| C24 | C25 | H23 | H24 | 119.5° | 120.1° |
| C36 | C35 | C37 | C38 | 118.4° | 120.1° |
| C35 | C36 | H31 | H32 | 120.0° | 120.0° |
| C35 | C36 | H31 | H33 | 120.0° | 120.0° |
| C35 | C36 | H32 | H33 | 120.0° | 119.9° |
| C36 | C35 | C37 | H34 | 52.7° | 179.9° |
| C36 | C35 | C37 | H35 | 172.7° | 60.0° |
| C36 | C35 | C37 | H36 | 67.3° | 60.0° |
| C36 | C35 | C38 | H37 | 61.1° | 59.9° |
| C36 | C35 | C38 | H38 | 58.9° | 60.0° |
| C36 | C35 | C38 | H39 | 178.8° | 180.0° |
| C37 | C35 | C36 | H31 | 52.3° | 60.0° |
| C37 | C35 | C36 | H32 | 67.7° | 60.0° |
| C37 | C35 | C36 | H33 | 172.4° | 180.0° |
| C35 | C37 | H34 | H35 | 120.0° | 120.0° |
| C35 | C37 | H34 | H36 | 120.0° | 119.9° |
| C35 | C37 | H35 | H36 | 120.0° | 119.9° |
| C37 | C35 | C38 | H37 | 62.3° | 180.0° |
| C37 | C35 | C38 | H38 | 177.6° | 60.0° |
| C37 | C35 | C38 | H39 | 57.7° | 59.9° |
| C38 | C35 | C36 | H31 | 63.9° | 180.0° |
| C38 | C35 | C36 | H32 | 176.2° | 60.0° |
| C38 | C35 | C36 | H33 | 56.2° | 60.0° |
| C38 | C35 | C37 | H34 | 65.7° | 60.0° |
| C38 | C35 | C37 | H35 | 54.2° | 60.1° |
| C38 | C35 | C37 | H36 | 174.3° | 180.0° |
| C35 | C38 | H37 | H38 | 120.0° | 119.9° |
| C35 | C38 | H37 | H39 | 120.0° | 120.1° |
| C35 | C38 | H38 | H39 | 120.0° | 120.0° |
| C28 | C27 | C26 | C25 | 12.4° | 60.0° |
| C28 | C27 | C26 | H25 | 121.0° | 120.0° |
| C28 | C27 | C26 | H26 | 121.1° | 120.0° |
| C28 | C27 | C26 | O29 | 158.8° | 180.0° |
| C28 | C27 | C26 | H7 | 95.7° | 60.0° |
| C27 | C28 | H8 | H9 | 120.1° | 120.0° |
| C27 | C28 | C23 | H22 | 65.4° | 180.0° |
| C28 | C27 | H25 | H26 | 116.6° | 120.1° |
| C25 | C26 | C27 | O29 | 146.5° | 120.0° |
| C25 | C26 | C27 | H7 | 108.0° | 120.0° |
| C25 | C26 | O29 | H7 | 104.8° | 120.0° |
| C25 | C26 | O29 | C30 | 172.6° | 90.0° |
| C26 | C25 | C24 | H5 | 157.8° | 60.0° |
| C26 | C25 | C24 | H6 | 82.8° | 180.0° |
| C26 | C25 | H23 | H24 | 119.5° | 120.0° |
| C25 | C26 | C27 | H25 | 108.7° | 180.0° |
| C25 | C26 | C27 | H26 | 133.4° | 60.0° |
| C27 | C26 | O29 | H7 | 105.1° | 120.0° |
| C27 | C26 | O29 | C30 | 37.3° | 150.0° |
| C26 | C27 | C28 | H8 | 102.9° | 180.0° |
| C26 | C27 | C28 | H9 | 137.0° | 60.0° |
| C27 | C26 | C25 | H23 | 122.1° | 180.0° |
| C27 | C26 | C25 | H24 | 118.3° | 60.0° |
| C26 | C27 | H25 | H26 | 116.7° | 120.0° |
| O29 | C26 | C25 | H23 | 91.3° | 60.0° |
| O29 | C26 | C25 | H24 | 28.3° | 60.0° |
| O29 | C26 | C27 | H25 | 37.8° | 60.0° |
| O29 | C26 | C27 | H26 | 80.1° | 60.0° |
| C26 | O29 | C30 | H27 | 180.0° | 180.0° |
| C26 | O29 | C30 | H28 | 60.0° | 60.0° |
| C26 | O29 | C30 | H29 | 60.0° | 60.0° |
| C30 | O29 | C26 | H7 | 67.7° | 30.0° |
| O29 | C30 | H27 | H28 | 120.0° | 120.0° |
| O29 | C30 | H27 | H29 | 120.0° | 120.0° |
| O29 | C30 | H28 | H29 | 120.0° | 119.9° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H5 | C24 | C23 | H22 | 68.7° | 60.0° |
| H5 | C24 | C25 | H23 | 37.6° | 60.0° |
| H5 | C24 | C25 | H24 | 82.1° | 180.0° |
| H6 | C24 | C23 | H22 | 171.9° | 60.0° |
| H6 | C24 | C25 | H23 | 157.0° | 60.0° |
| H6 | C24 | C25 | H24 | 37.4° | 60.0° |
| H7 | C26 | C25 | H23 | 14.0° | 60.0° |
| H7 | C26 | C25 | H24 | 133.6° | 179.9° |
| H7 | C26 | C27 | H25 | 143.3° | 59.9° |
| H7 | C26 | C27 | H26 | 25.4° | 180.0° |
| H8 | C28 | C23 | H22 | 174.6° | 60.0° |
| H8 | C28 | C27 | H25 | 18.2° | 60.0° |
| H8 | C28 | C27 | H26 | 136.0° | 60.0° |
| H9 | C28 | C23 | H22 | 54.5° | 59.9° |
| H9 | C28 | C27 | H25 | 101.9° | 60.0° |
| H9 | C28 | C27 | H26 | 15.9° | 180.0° |
| H10 | C03 | C04 | H12 | 61.5° | 49.3° |
| H10 | C03 | C04 | H13 | 58.6° | 71.3° |
| H11 | C03 | C04 | H12 | 179.4° | 169.0° |
| H11 | C03 | C04 | H13 | 60.6° | 48.5° |
| H12 | C04 | C05 | H14 | 67.9° | 67.5° |
| H12 | C04 | C05 | H15 | 172.5° | 171.9° |
| H13 | C04 | C05 | H14 | 52.1° | 53.0° |
| H13 | C04 | C05 | H15 | 67.4° | 67.6° |
| H14 | C05 | C06 | H16 | 42.0° | 50.4° |
| H15 | C05 | C06 | H16 | 161.5° | 170.9° |
| H17 | C11 | C12 | H18 | 0.2° | 0.4° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| H34 | C37 | H35 | H36 | 120.0° | 120.0° |
| H37 | C38 | H38 | H39 | 120.0° | 120.0° |
| H40 | C39 | C40 | H41 | 2.9° | 0.1° |
| H41 | C40 | C41 | H42 | 0.7° | 0.1° |
