YJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F38 | C35 | sing | 1.40Å | 1.36Å | |
| C35 | F36 | sing | 1.40Å | 1.36Å | |
| C35 | F37 | sing | 1.40Å | 1.36Å | |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| C34 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| F44 | C41 | sing | 1.40Å | 1.36Å | |
| C39 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.37Å | Aromatic |
| C40 | C41 | sing | 1.51Å | 1.52Å | |
| C40 | C45 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | F43 | sing | 1.40Å | 1.36Å | |
| C41 | F42 | sing | 1.40Å | 1.37Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C32 | C45 | sing | 1.39Å | 1.38Å | Aromatic |
| C32 | N31 | sing | 1.40Å | 1.43Å | |
| C02 | N31 | sing | 1.33Å | 1.50Å | |
| C02 | C03 | sing | 1.50Å | 1.57Å | |
| N31 | C06 | sing | 1.46Å | 1.54Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | N17 | doub | 1.30Å | 1.34Å | Aromatic |
| C18 | C14 | sing | 1.42Å | 1.41Å | Aromatic |
| N17 | O16 | sing | 1.21Å | 1.35Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.46Å | |
| C21 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| N08 | C07 | doub | 1.30Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.52Å | |
| C14 | C15 | doub | 1.37Å | 1.38Å | Aromatic |
| O16 | C15 | sing | 1.34Å | 1.32Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.52Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.47Å | |
| C07 | N22 | sing | 1.36Å | 1.35Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C10 | N22 | sing | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | sing | 1.53Å | 1.45Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | O29 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C39 | H31 | sing | 1.08Å | 1.08Å | |
| C45 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F38 | C35 | F36 | 110.4° | 109.5° |
| F38 | C35 | F37 | 110.2° | 109.5° |
| F38 | C35 | C34 | 108.3° | 109.5° |
| F36 | C35 | F37 | 108.1° | 109.5° |
| F36 | C35 | C34 | 109.1° | 109.5° |
| F37 | C35 | C34 | 110.7° | 109.4° |
| C35 | C34 | C39 | 120.2° | 119.9° |
| C35 | C34 | C33 | 118.4° | 120.0° |
| C39 | C34 | C33 | 121.5° | 120.1° |
| C34 | C39 | C40 | 119.9° | 120.1° |
| C34 | C39 | H31 | 120.0° | 119.9° |
| C34 | C33 | C32 | 117.6° | 119.9° |
| C34 | C33 | H30 | 121.2° | 120.1° |
| F44 | C41 | C40 | 109.7° | 109.5° |
| F44 | C41 | F43 | 109.6° | 109.5° |
| F44 | C41 | F42 | 110.3° | 109.4° |
| C39 | C40 | C41 | 121.3° | 119.9° |
| C39 | C40 | C45 | 119.4° | 120.1° |
| C40 | C39 | H31 | 120.1° | 120.0° |
| C33 | C32 | C45 | 122.2° | 119.8° |
| C33 | C32 | N31 | 120.0° | 120.1° |
| C32 | C33 | H30 | 121.2° | 120.0° |
| C41 | C40 | C45 | 119.4° | 120.0° |
| C40 | C41 | F43 | 108.4° | 109.5° |
| C40 | C41 | F42 | 109.3° | 109.5° |
| C40 | C45 | C32 | 119.5° | 119.9° |
| C40 | C45 | H32 | 120.2° | 120.0° |
| F43 | C41 | F42 | 109.5° | 109.4° |
| O01 | C02 | N31 | 119.5° | 118.3° |
| O01 | C02 | C03 | 124.6° | 118.3° |
| C45 | C32 | N31 | 117.8° | 120.0° |
| C32 | C45 | H32 | 120.3° | 120.1° |
| C32 | N31 | C02 | 122.2° | 117.9° |
| C32 | N31 | C06 | 117.2° | 118.0° |
| N31 | C02 | C03 | 115.9° | 123.5° |
| C02 | N31 | C06 | 120.5° | 124.1° |
| C02 | C03 | C04 | 112.2° | 109.9° |
| C02 | C03 | H10 | 108.8° | 109.4° |
| C02 | C03 | H11 | 108.8° | 109.4° |
| N31 | C06 | C07 | 107.2° | 109.3° |
| N31 | C06 | C05 | 113.7° | 110.5° |
| N31 | C06 | H16 | 109.1° | 109.1° |
| C19 | C18 | N17 | 123.9° | 126.9° |
| C19 | C18 | C14 | 129.2° | 126.9° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C18 | C19 | H20 | 109.5° | 109.4° |
| C18 | C19 | H21 | 109.4° | 109.5° |
| N17 | C18 | C14 | 107.0° | 106.3° |
| C18 | N17 | O16 | 107.9° | 112.0° |
| C18 | C14 | C13 | 127.2° | 128.1° |
| C18 | C14 | C15 | 106.8° | 103.7° |
| N17 | O16 | C15 | 111.5° | 111.8° |
| C03 | C04 | C05 | 111.7° | 108.4° |
| C04 | C03 | H10 | 108.8° | 109.4° |
| C04 | C03 | H11 | 108.8° | 109.4° |
| C03 | C04 | H12 | 108.9° | 109.7° |
| C03 | C04 | H13 | 108.9° | 109.7° |
| C09 | C21 | C13 | 118.5° | 119.7° |
| C21 | C09 | N08 | 134.2° | 133.4° |
| C21 | C09 | C10 | 119.7° | 119.6° |
| C09 | C21 | H4 | 120.7° | 120.2° |
| C21 | C13 | C14 | 120.9° | 119.9° |
| C21 | C13 | C12 | 121.0° | 120.2° |
| C13 | C21 | H4 | 120.8° | 120.1° |
| C09 | N08 | C07 | 109.0° | 109.6° |
| N08 | C09 | C10 | 106.0° | 107.0° |
| N08 | C07 | C06 | 123.6° | 124.9° |
| N08 | C07 | N22 | 107.7° | 110.1° |
| C13 | C14 | C15 | 125.8° | 128.2° |
| C14 | C13 | C12 | 118.1° | 119.9° |
| C14 | C15 | O16 | 106.8° | 106.2° |
| C14 | C15 | C20 | 130.2° | 126.8° |
| O16 | C15 | C20 | 122.9° | 126.9° |
| C09 | C10 | N22 | 109.0° | 106.0° |
| C09 | C10 | C11 | 121.9° | 120.1° |
| C13 | C12 | C11 | 120.7° | 120.3° |
| C13 | C12 | H18 | 119.6° | 119.8° |
| C15 | C20 | H1 | 109.5° | 109.4° |
| C15 | C20 | H2 | 109.5° | 109.4° |
| C15 | C20 | H3 | 109.4° | 109.5° |
| C07 | C06 | C05 | 107.3° | 109.3° |
| C06 | C07 | N22 | 128.7° | 125.0° |
| C07 | C06 | H16 | 109.4° | 109.3° |
| C06 | C05 | C04 | 112.6° | 108.7° |
| C06 | C05 | H14 | 108.7° | 109.6° |
| C06 | C05 | H15 | 108.7° | 109.8° |
| C05 | C06 | H16 | 110.1° | 109.3° |
| C07 | N22 | C10 | 108.2° | 107.3° |
| C07 | N22 | C23 | 136.6° | 126.4° |
| C25 | C24 | C23 | 114.0° | 109.5° |
| C24 | C25 | C26 | 115.5° | 109.5° |
| C25 | C24 | H5 | 108.3° | 109.5° |
| C25 | C24 | H6 | 108.3° | 109.4° |
| C24 | C25 | H23 | 108.0° | 109.5° |
| C24 | C25 | H24 | 108.0° | 109.5° |
| C24 | C23 | N22 | 113.4° | 109.5° |
| C24 | C23 | C28 | 118.7° | 109.4° |
| C23 | C24 | H5 | 108.3° | 109.5° |
| C23 | C24 | H6 | 108.3° | 109.5° |
| C24 | C23 | H22 | 102.4° | 109.5° |
| N22 | C10 | C11 | 129.1° | 133.9° |
| C10 | N22 | C23 | 115.2° | 126.3° |
| C10 | C11 | C12 | 118.2° | 120.0° |
| C10 | C11 | H17 | 120.9° | 120.0° |
| C12 | C11 | H17 | 120.9° | 120.0° |
| C11 | C12 | H18 | 119.7° | 119.9° |
| N22 | C23 | C28 | 113.9° | 109.5° |
| N22 | C23 | H22 | 102.9° | 109.5° |
| C05 | C04 | H12 | 108.9° | 109.7° |
| C05 | C04 | H13 | 108.9° | 109.6° |
| C04 | C05 | H14 | 108.7° | 109.6° |
| C04 | C05 | H15 | 108.7° | 109.6° |
| C25 | C26 | O29 | 107.2° | 109.5° |
| C25 | C26 | C27 | 113.6° | 109.5° |
| C25 | C26 | H7 | 109.2° | 109.5° |
| C26 | C25 | H23 | 107.9° | 109.5° |
| C26 | C25 | H24 | 108.0° | 109.5° |
| C23 | C28 | C27 | 113.5° | 109.5° |
| C23 | C28 | H8 | 108.5° | 109.5° |
| C23 | C28 | H9 | 108.4° | 109.5° |
| C28 | C23 | H22 | 102.6° | 109.5° |
| O29 | C26 | C27 | 106.8° | 109.5° |
| C26 | O29 | C30 | 113.8° | 114.0° |
| O29 | C26 | H7 | 110.8° | 109.5° |
| C26 | C27 | C28 | 116.0° | 109.5° |
| C27 | C26 | H7 | 109.1° | 109.4° |
| C26 | C27 | H25 | 107.8° | 109.5° |
| C26 | C27 | H26 | 107.8° | 109.5° |
| C27 | C28 | H8 | 108.4° | 109.5° |
| C27 | C28 | H9 | 108.5° | 109.5° |
| C28 | C27 | H25 | 107.8° | 109.5° |
| C28 | C27 | H26 | 107.8° | 109.5° |
| O29 | C30 | H27 | 109.5° | 109.5° |
| O29 | C30 | H28 | 109.4° | 109.5° |
| O29 | C30 | H29 | 109.5° | 109.4° |
| H1 | C20 | H2 | 109.4° | 109.4° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H8 | C28 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.4° | 109.3° |
| H12 | C04 | H13 | 109.5° | 109.7° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.4° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.4° | 109.4° |
| H25 | C27 | H26 | 109.5° | 109.4° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H27 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F38 | C35 | F36 | F37 | 120.6° | 120.0° |
| F38 | C35 | F36 | C34 | 118.9° | 120.0° |
| F38 | C35 | F37 | C34 | 119.8° | 120.0° |
| F38 | C35 | C34 | C39 | 62.7° | 120.0° |
| F38 | C35 | C34 | C33 | 117.1° | 60.0° |
| F36 | C35 | F37 | C34 | 119.5° | 120.0° |
| F36 | C35 | C34 | C39 | 57.5° | 0.0° |
| F36 | C35 | C34 | C33 | 122.7° | 180.0° |
| F37 | C35 | C34 | C39 | 176.4° | 120.0° |
| F37 | C35 | C34 | C33 | 3.8° | 60.0° |
| C35 | C34 | C39 | C33 | 179.8° | 180.0° |
| C35 | C34 | C39 | C40 | 179.8° | 180.0° |
| C35 | C34 | C33 | C32 | 179.8° | 180.0° |
| C35 | C34 | C33 | H30 | 0.2° | 0.0° |
| C35 | C34 | C39 | H31 | 0.2° | 0.0° |
| C34 | C39 | C40 | H31 | 180.0° | 180.0° |
| C39 | C34 | C33 | C32 | 0.0° | 0.0° |
| C34 | C39 | C40 | C41 | 179.5° | 180.0° |
| C34 | C39 | C40 | C45 | 0.2° | 0.0° |
| C39 | C34 | C33 | H30 | 180.0° | 180.0° |
| C33 | C34 | C39 | C40 | 0.0° | 0.0° |
| C34 | C33 | C32 | H30 | 180.0° | 180.0° |
| C34 | C33 | C32 | C45 | 0.1° | 0.0° |
| C34 | C33 | C32 | N31 | 178.6° | 179.7° |
| C33 | C34 | C39 | H31 | 180.0° | 180.0° |
| F44 | C41 | C40 | C39 | 52.0° | 120.0° |
| F44 | C41 | C40 | F43 | 119.6° | 120.1° |
| F44 | C41 | C40 | F42 | 121.0° | 120.0° |
| F44 | C41 | C40 | C45 | 128.6° | 59.9° |
| F44 | C41 | F43 | F42 | 121.1° | 120.0° |
| C39 | C40 | C41 | C45 | 179.3° | 180.0° |
| C39 | C40 | C41 | F43 | 67.6° | 0.0° |
| C39 | C40 | C41 | F42 | 173.1° | 120.0° |
| C39 | C40 | C45 | C32 | 0.3° | 0.0° |
| C39 | C40 | C45 | H32 | 179.6° | 179.7° |
| C33 | C32 | C45 | C40 | 0.3° | 0.0° |
| C33 | C32 | C45 | N31 | 178.5° | 179.8° |
| C33 | C32 | N31 | C02 | 64.0° | 67.4° |
| C33 | C32 | N31 | C06 | 116.5° | 112.5° |
| C33 | C32 | C45 | H32 | 179.7° | 179.8° |
| C40 | C41 | F43 | F42 | 119.2° | 120.0° |
| C41 | C40 | C45 | C32 | 179.7° | 180.0° |
| C41 | C40 | C39 | H31 | 0.5° | 0.0° |
| C41 | C40 | C45 | H32 | 0.3° | 0.2° |
| C45 | C40 | C41 | F43 | 111.7° | 180.0° |
| C45 | C40 | C41 | F42 | 7.6° | 60.0° |
| C40 | C45 | C32 | H32 | 180.0° | 179.8° |
| C40 | C45 | C32 | N31 | 178.8° | 179.7° |
| C45 | C40 | C39 | H31 | 179.8° | 180.0° |
| O01 | C02 | N31 | C32 | 0.1° | 2.0° |
| O01 | C02 | N31 | C03 | 178.8° | 179.8° |
| O01 | C02 | N31 | C06 | 179.4° | 178.1° |
| O01 | C02 | C03 | C04 | 156.1° | 162.7° |
| O01 | C02 | C03 | H10 | 35.7° | 42.5° |
| O01 | C02 | C03 | H11 | 83.5° | 77.2° |
| C45 | C32 | N31 | C02 | 117.5° | 112.4° |
| C45 | C32 | N31 | C06 | 62.0° | 67.7° |
| C45 | C32 | C33 | H30 | 179.9° | 180.0° |
| C32 | N31 | C02 | C06 | 179.5° | 179.9° |
| C32 | N31 | C02 | C03 | 178.9° | 177.8° |
| C32 | N31 | C06 | C07 | 53.7° | 40.5° |
| C32 | N31 | C06 | C05 | 172.1° | 160.9° |
| C32 | N31 | C06 | H16 | 64.6° | 78.9° |
| N31 | C32 | C33 | H30 | 1.4° | 0.2° |
| N31 | C32 | C45 | H32 | 1.1° | 0.0° |
| N31 | C02 | C03 | C04 | 22.6° | 17.6° |
| C02 | N31 | C06 | C07 | 126.8° | 139.4° |
| C02 | N31 | C06 | C05 | 8.4° | 19.0° |
| N31 | C02 | C03 | H10 | 143.0° | 137.7° |
| N31 | C02 | C03 | H11 | 97.8° | 102.6° |
| C02 | N31 | C06 | H16 | 114.9° | 101.1° |
| C03 | C02 | N31 | C06 | 0.6° | 2.2° |
| C02 | C03 | C04 | H10 | 120.4° | 120.2° |
| C02 | C03 | C04 | H11 | 120.4° | 120.1° |
| C02 | C03 | C04 | C05 | 56.7° | 48.9° |
| C02 | C03 | H10 | H11 | 118.7° | 119.7° |
| C02 | C03 | C04 | H12 | 63.7° | 70.9° |
| C02 | C03 | C04 | H13 | 177.0° | 168.6° |
| N31 | C06 | C07 | N08 | 56.6° | 46.1° |
| N31 | C06 | C07 | C05 | 122.5° | 121.1° |
| N31 | C06 | C07 | H16 | 118.2° | 119.4° |
| N31 | C06 | C05 | H16 | 122.8° | 120.1° |
| N31 | C06 | C07 | N22 | 124.5° | 134.0° |
| N31 | C06 | C05 | C04 | 41.3° | 50.7° |
| N31 | C06 | C05 | H14 | 79.2° | 170.5° |
| N31 | C06 | C05 | H15 | 161.8° | 69.1° |
| C19 | C18 | N17 | C14 | 179.5° | 179.8° |
| C19 | C18 | N17 | O16 | 179.7° | 180.0° |
| C19 | C18 | C14 | C13 | 3.1° | 0.2° |
| C19 | C18 | C14 | C15 | 179.4° | 179.8° |
| C18 | C19 | H19 | H20 | 120.0° | 119.9° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| N17 | C18 | C14 | C13 | 177.4° | 180.0° |
| N17 | C18 | C14 | C15 | 1.2° | 0.0° |
| C18 | N17 | O16 | C15 | 0.2° | 0.4° |
| 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 | 0.8° | 0.3° |
| C18 | C14 | C13 | C21 | 139.4° | 64.6° |
| C18 | C14 | C13 | C15 | 175.6° | 180.0° |
| C18 | C14 | C15 | O16 | 1.1° | 0.2° |
| C18 | C14 | C13 | C12 | 43.7° | 115.0° |
| C18 | C14 | C15 | C20 | 179.5° | 180.0° |
| C14 | C18 | C19 | H19 | 179.3° | 89.7° |
| C14 | C18 | C19 | H20 | 59.3° | 30.2° |
| C14 | C18 | C19 | H21 | 60.7° | 150.3° |
| N17 | O16 | C15 | C14 | 0.6° | 0.4° |
| N17 | O16 | C15 | C20 | 180.0° | 179.8° |
| C03 | C04 | C05 | C06 | 68.2° | 67.5° |
| C03 | C04 | C05 | H12 | 120.4° | 119.8° |
| C03 | C04 | C05 | H13 | 120.3° | 119.7° |
| C04 | C03 | H10 | H11 | 118.8° | 119.8° |
| C03 | C04 | H12 | H13 | 119.0° | 120.6° |
| C03 | C04 | C05 | H14 | 52.3° | 172.7° |
| C03 | C04 | C05 | H15 | 171.3° | 52.4° |
| C09 | C21 | C13 | H4 | 180.0° | 179.8° |
| C21 | C09 | N08 | C10 | 179.8° | 180.0° |
| C21 | C09 | N08 | C07 | 179.9° | 179.9° |
| C09 | C21 | C13 | C14 | 177.9° | 179.9° |
| C09 | C21 | C13 | C12 | 1.1° | 0.5° |
| C21 | C09 | C10 | N22 | 179.7° | 180.0° |
| C21 | C09 | C10 | C11 | 0.9° | 0.2° |
| C13 | C21 | C09 | N08 | 180.0° | 179.8° |
| C21 | C13 | C14 | C12 | 177.0° | 179.6° |
| C21 | C13 | C14 | C15 | 45.1° | 115.4° |
| C13 | C21 | C09 | C10 | 0.2° | 0.2° |
| C21 | C13 | C12 | C11 | 0.9° | 0.4° |
| C21 | C13 | C12 | H18 | 179.1° | 180.0° |
| C09 | N08 | C07 | C06 | 179.1° | 180.0° |
| C09 | N08 | C07 | N22 | 0.0° | 0.0° |
| N08 | C09 | C10 | N22 | 0.4° | 0.0° |
| N08 | C09 | C10 | C11 | 178.9° | 179.8° |
| N08 | C09 | C21 | H4 | 0.0° | 0.1° |
| C07 | N08 | C09 | C10 | 0.3° | 0.0° |
| N08 | C07 | C06 | N22 | 178.9° | 179.9° |
| N08 | C07 | C06 | C05 | 65.9° | 75.0° |
| N08 | C07 | N22 | C10 | 0.3° | 0.0° |
| N08 | C07 | N22 | C23 | 179.7° | 179.8° |
| N08 | C07 | C06 | H16 | 174.8° | 165.5° |
| C13 | C14 | C15 | O16 | 177.4° | 179.8° |
| C13 | C14 | C15 | C20 | 3.2° | 0.0° |
| C14 | C13 | C12 | C11 | 177.8° | 180.0° |
| C14 | C13 | C21 | H4 | 2.1° | 0.1° |
| C14 | C13 | C12 | H18 | 2.2° | 0.4° |
| C14 | C15 | O16 | C20 | 179.4° | 179.7° |
| C15 | C14 | C13 | C12 | 131.9° | 65.0° |
| C14 | C15 | C20 | H1 | 179.3° | 90.1° |
| C14 | C15 | C20 | H2 | 60.7° | 150.0° |
| C14 | C15 | C20 | H3 | 59.3° | 30.0° |
| O16 | C15 | C20 | H1 | 0.0° | 90.2° |
| O16 | C15 | C20 | H2 | 120.0° | 29.7° |
| O16 | C15 | C20 | H3 | 120.0° | 149.7° |
| C09 | C10 | N22 | C07 | 0.5° | 0.0° |
| C09 | C10 | N22 | C11 | 179.3° | 179.7° |
| C09 | C10 | C11 | C12 | 1.1° | 0.3° |
| C09 | C10 | N22 | C23 | 180.0° | 179.8° |
| C10 | C09 | C21 | H4 | 179.8° | 179.9° |
| C09 | C10 | C11 | H17 | 178.9° | 179.6° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C11 | H18 | 180.0° | 179.5° |
| C12 | C13 | C21 | H4 | 178.9° | 179.7° |
| C13 | C12 | C11 | H17 | 179.8° | 180.0° |
| C15 | C20 | H1 | H2 | 120.0° | 119.9° |
| C15 | C20 | H1 | H3 | 120.0° | 120.1° |
| C15 | C20 | H2 | H3 | 120.0° | 120.0° |
| C07 | C06 | C05 | H16 | 118.9° | 119.6° |
| C06 | C07 | N22 | C10 | 178.8° | 180.0° |
| C06 | C07 | N22 | C23 | 0.6° | 0.3° |
| C07 | C06 | C05 | C04 | 159.6° | 171.1° |
| C07 | C06 | C05 | H14 | 39.1° | 69.1° |
| C07 | C06 | C05 | H15 | 79.9° | 51.2° |
| C05 | C06 | C07 | N22 | 113.0° | 105.0° |
| C06 | C05 | C04 | H14 | 120.5° | 119.8° |
| C06 | C05 | C04 | H15 | 120.5° | 120.0° |
| C06 | C05 | C04 | H12 | 52.1° | 52.2° |
| C06 | C05 | C04 | H13 | 171.5° | 172.7° |
| C06 | C05 | H14 | H15 | 118.6° | 120.5° |
| C07 | N22 | C23 | C24 | 74.6° | 120.3° |
| C07 | N22 | C10 | C23 | 179.5° | 179.8° |
| C07 | N22 | C10 | C11 | 178.9° | 179.7° |
| C07 | N22 | C23 | C28 | 65.4° | 119.7° |
| N22 | C07 | C06 | H16 | 6.3° | 14.6° |
| C07 | N22 | C23 | H22 | 175.6° | 0.3° |
| C25 | C24 | C23 | H5 | 120.6° | 120.0° |
| C25 | C24 | C23 | H6 | 120.7° | 119.9° |
| C25 | C24 | C23 | N22 | 176.1° | 60.0° |
| C24 | C25 | C26 | H23 | 120.9° | 120.0° |
| C24 | C25 | C26 | H24 | 120.9° | 120.0° |
| C25 | C24 | C23 | C28 | 38.3° | 60.0° |
| C24 | C25 | C26 | O29 | 163.1° | 180.0° |
| C24 | C25 | C26 | C27 | 45.3° | 60.0° |
| C25 | C24 | H5 | H6 | 117.9° | 119.9° |
| C24 | C25 | C26 | H7 | 76.8° | 60.0° |
| C25 | C24 | C23 | H22 | 73.8° | 180.0° |
| C24 | C25 | H23 | H24 | 117.3° | 120.0° |
| C24 | C23 | N22 | C10 | 106.1° | 60.0° |
| C24 | C23 | N22 | C28 | 139.9° | 120.0° |
| C24 | C23 | N22 | H22 | 109.9° | 120.0° |
| C23 | C24 | C25 | C26 | 3.5° | 60.0° |
| C24 | C23 | C28 | H22 | 112.0° | 120.0° |
| C24 | C23 | C28 | C27 | 35.8° | 60.0° |
| C23 | C24 | H5 | H6 | 117.9° | 120.0° |
| C24 | C23 | C28 | H8 | 84.8° | 180.0° |
| C24 | C23 | C28 | H9 | 156.4° | 60.0° |
| C23 | C24 | C25 | H23 | 124.3° | 180.0° |
| C23 | C24 | C25 | H24 | 117.4° | 60.0° |
| N22 | C10 | C11 | C12 | 179.7° | 180.0° |
| C10 | N22 | C23 | C28 | 114.0° | 60.0° |
| N22 | C10 | C11 | H17 | 0.3° | 0.1° |
| C10 | N22 | C23 | H22 | 3.8° | 180.0° |
| C10 | C11 | C12 | H17 | 180.0° | 179.9° |
| C11 | C10 | N22 | C23 | 0.7° | 0.0° |
| C10 | C11 | C12 | H18 | 179.8° | 179.6° |
| N22 | C23 | C28 | H22 | 110.4° | 120.0° |
| N22 | C23 | C28 | C27 | 173.5° | 60.0° |
| N22 | C23 | C24 | H5 | 55.5° | 180.0° |
| N22 | C23 | C24 | H6 | 63.2° | 59.9° |
| N22 | C23 | C28 | H8 | 52.9° | 60.0° |
| N22 | C23 | C28 | H9 | 65.9° | 180.0° |
| C05 | C04 | C03 | H10 | 177.1° | 169.0° |
| C05 | C04 | C03 | H11 | 63.7° | 71.2° |
| C05 | C04 | H12 | H13 | 119.0° | 120.5° |
| C04 | C05 | H14 | H15 | 118.6° | 120.3° |
| C04 | C05 | C06 | H16 | 81.5° | 69.4° |
| C25 | C26 | O29 | C27 | 122.1° | 120.0° |
| C25 | C26 | O29 | H7 | 119.1° | 120.0° |
| C25 | C26 | C27 | H7 | 122.1° | 120.0° |
| C25 | C26 | C27 | C28 | 48.0° | 60.0° |
| C25 | C26 | O29 | C30 | 139.1° | 90.0° |
| C26 | C25 | C24 | H5 | 124.1° | 60.0° |
| C26 | C25 | C24 | H6 | 117.2° | 180.0° |
| C26 | C25 | H23 | H24 | 117.3° | 120.0° |
| C25 | C26 | C27 | H25 | 168.9° | 179.9° |
| C25 | C26 | C27 | H26 | 73.0° | 60.0° |
| C23 | C28 | C27 | C26 | 7.7° | 60.0° |
| C23 | C28 | C27 | H8 | 120.6° | 120.0° |
| C23 | C28 | C27 | H9 | 120.6° | 120.0° |
| C28 | C23 | C24 | H5 | 82.4° | 60.0° |
| C28 | C23 | C24 | H6 | 159.0° | 180.0° |
| C23 | C28 | H8 | H9 | 118.2° | 120.0° |
| C23 | C28 | C27 | H25 | 128.6° | 180.0° |
| C23 | C28 | C27 | H26 | 113.3° | 60.0° |
| O29 | C26 | C27 | H7 | 119.8° | 120.0° |
| O29 | C26 | C27 | C28 | 166.0° | 180.0° |
| O29 | C26 | C25 | H23 | 76.0° | 60.0° |
| O29 | C26 | C25 | H24 | 42.2° | 60.0° |
| O29 | C26 | C27 | H25 | 73.0° | 59.9° |
| O29 | C26 | C27 | H26 | 45.1° | 60.0° |
| C26 | O29 | C30 | H27 | 180.0° | 60.1° |
| C26 | O29 | C30 | H28 | 60.0° | 60.0° |
| C26 | O29 | C30 | H29 | 60.0° | 180.0° |
| C26 | C27 | C28 | H25 | 121.0° | 120.1° |
| C26 | C27 | C28 | H26 | 121.0° | 120.0° |
| C27 | C26 | O29 | C30 | 98.8° | 150.0° |
| C26 | C27 | C28 | H8 | 128.3° | 180.0° |
| C26 | C27 | C28 | H9 | 112.9° | 60.0° |
| C27 | C26 | C25 | H23 | 166.2° | 180.0° |
| C27 | C26 | C25 | H24 | 75.6° | 60.0° |
| C26 | C27 | H25 | H26 | 117.1° | 120.0° |
| C28 | C27 | C26 | H7 | 74.2° | 60.0° |
| C27 | C28 | H8 | H9 | 118.1° | 120.0° |
| C27 | C28 | C23 | H22 | 76.1° | 180.0° |
| C28 | C27 | H25 | H26 | 117.0° | 120.0° |
| C30 | O29 | C26 | H7 | 20.0° | 30.0° |
| O29 | C30 | H27 | H28 | 120.0° | 120.0° |
| O29 | C30 | H27 | H29 | 120.0° | 119.9° |
| O29 | C30 | H28 | H29 | 120.0° | 119.9° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H5 | C24 | C23 | H22 | 165.6° | 60.0° |
| H5 | C24 | C25 | H23 | 115.0° | 60.0° |
| H5 | C24 | C25 | H24 | 3.2° | 179.9° |
| H6 | C24 | C23 | H22 | 46.9° | 60.1° |
| H6 | C24 | C25 | H23 | 3.6° | 60.0° |
| H6 | C24 | C25 | H24 | 121.9° | 60.0° |
| H7 | C26 | C25 | H23 | 44.1° | 60.0° |
| H7 | C26 | C25 | H24 | 162.3° | NaN° |
| H7 | C26 | C27 | H25 | 46.8° | 60.0° |
| H7 | C26 | C27 | H26 | 164.9° | 180.0° |
| H8 | C28 | C23 | H22 | 163.3° | 60.0° |
| H8 | C28 | C27 | H25 | 110.7° | 59.9° |
| H8 | C28 | C27 | H26 | 7.4° | 60.0° |
| H9 | C28 | C23 | H22 | 44.5° | 60.0° |
| H9 | C28 | C27 | H25 | 8.0° | 60.1° |
| H9 | C28 | C27 | H26 | 126.1° | 180.0° |
| H10 | C03 | C04 | H12 | 56.7° | 49.3° |
| H10 | C03 | C04 | H13 | 62.6° | 71.3° |
| H11 | C03 | C04 | H12 | 175.9° | 169.0° |
| H11 | C03 | C04 | H13 | 56.6° | 48.5° |
| H12 | C04 | C05 | H14 | 172.6° | 67.6° |
| H12 | C04 | C05 | H15 | 68.3° | 172.2° |
| H13 | C04 | C05 | H14 | 68.1° | 52.9° |
| H13 | C04 | C05 | H15 | 51.0° | 67.3° |
| H14 | C05 | C06 | H16 | 158.0° | 50.4° |
| H15 | C05 | C06 | H16 | 39.0° | 170.8° |
| H17 | C11 | C12 | H18 | 0.2° | 0.5° |
| H19 | C19 | H20 | H21 | 120.0° | 120.1° |
| H27 | C30 | H28 | H29 | 120.0° | 120.0° |
