61F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| F16 | C14 | sing | 1.40Å | 1.37Å | |
| C29 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.43Å | 1.54Å | |
| C06 | N31 | doub | 1.33Å | 1.32Å | Aromatic |
| C05 | C04 | trip | 1.17Å | 1.20Å | |
| C28 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.47Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | S59 | sing | 1.81Å | 1.83Å | |
| C09 | C10 | sing | 1.48Å | 1.54Å | |
| C09 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.44Å | Aromatic |
| F15 | C14 | sing | 1.40Å | 1.37Å | |
| C26 | CL27 | sing | 1.74Å | 1.78Å | |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| O61 | S59 | doub | 1.42Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | F17 | sing | 1.40Å | 1.36Å | |
| C11 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C11 | N12 | sing | 1.37Å | 1.36Å | Aromatic |
| C25 | C19 | sing | 1.46Å | 1.44Å | Aromatic |
| N31 | C30 | sing | 1.32Å | 1.32Å | Aromatic |
| S59 | O62 | doub | 1.42Å | 1.46Å | |
| S59 | C60 | sing | 1.81Å | 1.82Å | |
| N12 | C13 | sing | 1.46Å | 1.46Å | |
| N12 | N18 | sing | 1.40Å | 1.34Å | Aromatic |
| C30 | C32 | sing | 1.51Å | 1.53Å | |
| C19 | N18 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | N20 | sing | 1.40Å | 1.46Å | |
| C22 | S21 | sing | 1.81Å | 1.82Å | |
| N20 | S21 | sing | 1.66Å | 1.71Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C32 | N42 | sing | 1.46Å | 1.45Å | |
| S21 | O23 | doub | 1.42Å | 1.46Å | |
| S21 | O24 | doub | 1.42Å | 1.46Å | |
| C41 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N42 | C43 | sing | 1.35Å | 1.45Å | |
| F40 | C39 | sing | 1.35Å | 1.36Å | |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| O44 | C43 | doub | 1.21Å | 1.19Å | |
| C43 | C45 | sing | 1.51Å | 1.53Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | N46 | sing | 1.47Å | 1.45Å | |
| C36 | F37 | sing | 1.35Å | 1.36Å | |
| N46 | N47 | sing | 1.40Å | 1.38Å | Aromatic |
| N46 | C50 | sing | 1.34Å | 1.33Å | Aromatic |
| N47 | C48 | doub | 1.31Å | 1.35Å | Aromatic |
| C50 | C51 | sing | 1.51Å | 1.55Å | |
| C50 | C49 | doub | 1.36Å | 1.39Å | Aromatic |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C48 | C49 | sing | 1.39Å | 1.41Å | Aromatic |
| C48 | C55 | sing | 1.51Å | 1.53Å | |
| C49 | C54 | sing | 1.51Å | 1.55Å | |
| F57 | C55 | sing | 1.40Å | 1.36Å | |
| F56 | C55 | sing | 1.40Å | 1.36Å | |
| C52 | C53 | sing | 1.53Å | 1.51Å | |
| C55 | F58 | sing | 1.40Å | 1.36Å | |
| C53 | C54 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C41 | H21 | sing | 1.08Å | 1.08Å | |
| C45 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| C51 | H25 | sing | 1.09Å | 1.10Å | |
| C52 | H26 | sing | 1.09Å | 1.10Å | |
| C52 | H27 | sing | 1.09Å | 1.10Å | |
| C53 | H28 | sing | 1.09Å | 1.10Å | |
| C53 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C60 | H32 | sing | 1.09Å | 1.10Å | |
| C60 | H33 | sing | 1.09Å | 1.10Å | |
| C60 | H34 | sing | 1.09Å | 1.10Å | |
| N20 | H35 | sing | 0.97Å | 1.00Å | |
| N42 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C04 | 109.2° | 109.5° |
| C03 | C02 | C01 | 109.1° | 109.5° |
| C03 | C02 | S59 | 109.6° | 109.5° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.4° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C08 | C07 | C06 | 119.4° | 119.2° |
| C07 | C08 | C09 | 118.3° | 118.5° |
| C08 | C07 | H13 | 120.3° | 120.4° |
| C07 | C08 | H14 | 120.8° | 120.8° |
| C07 | C06 | C05 | 121.7° | 119.6° |
| C07 | C06 | N31 | 120.2° | 120.8° |
| C06 | C07 | H13 | 120.3° | 120.5° |
| C08 | C09 | C10 | 122.1° | 120.5° |
| C08 | C09 | C30 | 118.6° | 119.1° |
| C09 | C08 | H14 | 120.9° | 120.7° |
| F16 | C14 | F15 | 109.4° | 109.5° |
| F16 | C14 | C13 | 109.4° | 109.4° |
| F16 | C14 | F17 | 110.0° | 109.5° |
| C28 | C29 | C10 | 120.6° | 120.5° |
| C29 | C28 | C26 | 119.4° | 120.6° |
| C29 | C28 | H6 | 120.3° | 119.7° |
| C28 | C29 | H15 | 119.7° | 119.8° |
| C29 | C10 | C09 | 117.5° | 120.2° |
| C29 | C10 | C11 | 120.2° | 119.7° |
| C10 | C29 | H15 | 119.7° | 119.7° |
| C05 | C06 | N31 | 118.1° | 119.6° |
| C06 | C05 | C04 | 177.0° | 180.0° |
| C06 | N31 | C30 | 122.1° | 121.7° |
| C05 | C04 | C02 | 176.9° | 179.9° |
| C28 | C26 | CL27 | 119.9° | 120.0° |
| C28 | C26 | C25 | 120.6° | 119.9° |
| C26 | C28 | H6 | 120.3° | 119.7° |
| C04 | C02 | C01 | 107.7° | 109.4° |
| C04 | C02 | S59 | 112.0° | 109.5° |
| C01 | C02 | S59 | 109.2° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | S59 | O61 | 111.8° | 108.6° |
| C02 | S59 | O62 | 111.7° | 108.6° |
| C02 | S59 | C60 | 110.0° | 101.9° |
| C10 | C09 | C30 | 119.2° | 120.4° |
| C09 | C10 | C11 | 122.3° | 120.2° |
| C09 | C30 | N31 | 121.4° | 120.7° |
| C09 | C30 | C32 | 119.5° | 119.7° |
| C10 | C11 | C25 | 118.6° | 119.4° |
| C10 | C11 | N12 | 133.9° | 133.7° |
| F15 | C14 | C13 | 109.5° | 109.4° |
| F15 | C14 | F17 | 109.1° | 109.5° |
| CL27 | C26 | C25 | 119.5° | 120.0° |
| C26 | C25 | C11 | 120.5° | 119.9° |
| C26 | C25 | C19 | 134.3° | 133.9° |
| O61 | S59 | O62 | 100.9° | 119.2° |
| O61 | S59 | C60 | 111.4° | 108.6° |
| C13 | C14 | F17 | 109.4° | 109.5° |
| C14 | C13 | N12 | 112.8° | 109.4° |
| C14 | C13 | H1 | 108.6° | 109.4° |
| C14 | C13 | H2 | 108.6° | 109.5° |
| C25 | C11 | N12 | 107.4° | 106.9° |
| C11 | C25 | C19 | 105.1° | 106.3° |
| C11 | N12 | C13 | 126.3° | 125.4° |
| C11 | N12 | N18 | 110.3° | 109.3° |
| C25 | C19 | N18 | 108.2° | 107.6° |
| C25 | C19 | N20 | 125.4° | 126.2° |
| N31 | C30 | C32 | 119.1° | 119.6° |
| O62 | S59 | C60 | 110.8° | 108.6° |
| S59 | C60 | H32 | 109.5° | 109.5° |
| S59 | C60 | H33 | 109.4° | 109.5° |
| S59 | C60 | H34 | 109.4° | 109.4° |
| C13 | N12 | N18 | 123.4° | 125.4° |
| N12 | C13 | H1 | 108.6° | 109.5° |
| N12 | C13 | H2 | 108.7° | 109.5° |
| N12 | N18 | C19 | 109.0° | 110.0° |
| C30 | C32 | C33 | 108.4° | 109.5° |
| C30 | C32 | N42 | 109.3° | 109.4° |
| C30 | C32 | H16 | 109.3° | 109.4° |
| N18 | C19 | N20 | 126.4° | 126.2° |
| C19 | N20 | S21 | 121.9° | 120.0° |
| C19 | N20 | H35 | 106.3° | 120.0° |
| C22 | S21 | N20 | 110.2° | 104.4° |
| C22 | S21 | O23 | 111.5° | 110.5° |
| C22 | S21 | O24 | 110.8° | 110.5° |
| S21 | C22 | H3 | 109.5° | 109.5° |
| S21 | C22 | H4 | 109.5° | 109.5° |
| S21 | C22 | H5 | 109.5° | 109.5° |
| N20 | S21 | O23 | 111.4° | 104.3° |
| N20 | S21 | O24 | 111.9° | 104.3° |
| S21 | N20 | H35 | 106.3° | 120.0° |
| C32 | C33 | C34 | 112.9° | 109.5° |
| C33 | C32 | N42 | 110.2° | 109.5° |
| C33 | C32 | H16 | 109.3° | 109.5° |
| C32 | C33 | H17 | 108.6° | 109.4° |
| C32 | C33 | H18 | 108.6° | 109.4° |
| C33 | C34 | C41 | 120.2° | 120.0° |
| C33 | C34 | C35 | 119.7° | 119.9° |
| C34 | C33 | H17 | 108.6° | 109.5° |
| C34 | C33 | H18 | 108.6° | 109.5° |
| C32 | N42 | C43 | 119.9° | 119.9° |
| N42 | C32 | H16 | 110.3° | 109.5° |
| C32 | N42 | H36 | 120.1° | 120.0° |
| O23 | S21 | O24 | 100.8° | 121.0° |
| C34 | C41 | C39 | 119.8° | 120.0° |
| C41 | C34 | C35 | 120.1° | 120.1° |
| C34 | C41 | H21 | 120.1° | 120.0° |
| C41 | C39 | F40 | 119.8° | 120.0° |
| C41 | C39 | C38 | 120.2° | 120.0° |
| C39 | C41 | H21 | 120.1° | 120.0° |
| C34 | C35 | C36 | 120.0° | 120.0° |
| C34 | C35 | H19 | 120.0° | 120.0° |
| N42 | C43 | O44 | 120.1° | 120.1° |
| N42 | C43 | C45 | 119.5° | 120.0° |
| C43 | N42 | H36 | 120.0° | 120.0° |
| F40 | C39 | C38 | 120.0° | 120.0° |
| C39 | C38 | C36 | 119.9° | 119.9° |
| C39 | C38 | H20 | 120.1° | 120.0° |
| O44 | C43 | C45 | 120.4° | 120.0° |
| C43 | C45 | N46 | 111.0° | 109.5° |
| C43 | C45 | H22 | 109.1° | 109.5° |
| C43 | C45 | H23 | 109.1° | 109.6° |
| C35 | C36 | C38 | 120.0° | 120.0° |
| C35 | C36 | F37 | 119.6° | 120.0° |
| C36 | C35 | H19 | 120.0° | 120.0° |
| C38 | C36 | F37 | 120.4° | 120.0° |
| C36 | C38 | H20 | 120.1° | 120.1° |
| C45 | N46 | N47 | 124.4° | 126.2° |
| C45 | N46 | C50 | 124.9° | 126.0° |
| N46 | C45 | H22 | 109.1° | 109.4° |
| N46 | C45 | H23 | 109.1° | 109.5° |
| N47 | N46 | C50 | 110.7° | 107.8° |
| N46 | N47 | C48 | 107.3° | 108.3° |
| N46 | C50 | C51 | 131.1° | 128.1° |
| N46 | C50 | C49 | 107.3° | 107.8° |
| N47 | C48 | C49 | 107.6° | 108.0° |
| N47 | C48 | C55 | 126.2° | 126.0° |
| C51 | C50 | C49 | 121.5° | 124.1° |
| C50 | C51 | C52 | 113.0° | 108.4° |
| C50 | C51 | H24 | 108.6° | 109.7° |
| C50 | C51 | H25 | 108.6° | 109.6° |
| C50 | C49 | C48 | 107.1° | 108.0° |
| C50 | C49 | C54 | 121.9° | 124.1° |
| C51 | C52 | C53 | 113.0° | 109.5° |
| C52 | C51 | H24 | 108.6° | 109.7° |
| C52 | C51 | H25 | 108.6° | 109.7° |
| C51 | C52 | H26 | 108.6° | 109.4° |
| C51 | C52 | H27 | 108.6° | 109.5° |
| C49 | C48 | C55 | 126.2° | 126.0° |
| C48 | C49 | C54 | 131.1° | 127.9° |
| C48 | C55 | F57 | 109.3° | 109.5° |
| C48 | C55 | F56 | 109.3° | 109.5° |
| C48 | C55 | F58 | 109.5° | 109.5° |
| C49 | C54 | C53 | 113.8° | 108.3° |
| C49 | C54 | H30 | 108.4° | 109.7° |
| C49 | C54 | H31 | 108.4° | 109.7° |
| F57 | C55 | F56 | 109.8° | 109.4° |
| F57 | C55 | F58 | 109.4° | 109.5° |
| F56 | C55 | F58 | 109.5° | 109.4° |
| C52 | C53 | C54 | 112.8° | 109.5° |
| C53 | C52 | H26 | 108.6° | 109.5° |
| C53 | C52 | H27 | 108.6° | 109.5° |
| C52 | C53 | H28 | 108.7° | 109.5° |
| C52 | C53 | H29 | 108.6° | 109.4° |
| C54 | C53 | H28 | 108.6° | 109.5° |
| C54 | C53 | H29 | 108.6° | 109.5° |
| C53 | C54 | H30 | 108.4° | 109.7° |
| C53 | C54 | H31 | 108.4° | 109.6° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C22 | H4 | 109.4° | 109.5° |
| H3 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
| H10 | C03 | H12 | 109.5° | 109.4° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.5° |
| H22 | C45 | H23 | 109.5° | 109.4° |
| H24 | C51 | H25 | 109.5° | 109.7° |
| H26 | C52 | H27 | 109.5° | 109.4° |
| H28 | C53 | H29 | 109.5° | 109.4° |
| H30 | C54 | H31 | 109.5° | 109.7° |
| H32 | C60 | H33 | 109.5° | 109.5° |
| H32 | C60 | H34 | 109.4° | 109.5° |
| H33 | C60 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C04 | C05 | 69.1° | 69.2° |
| C03 | C02 | C04 | C01 | 118.3° | 120.0° |
| C03 | C02 | C04 | S59 | 121.6° | 120.0° |
| C03 | C02 | C01 | S59 | 119.8° | 120.0° |
| C03 | C02 | S59 | O61 | 53.8° | 54.5° |
| C03 | C02 | S59 | O62 | 58.4° | 174.5° |
| C03 | C02 | S59 | C60 | 178.1° | 60.0° |
| C03 | C02 | C01 | H7 | 180.0° | 180.0° |
| C03 | C02 | C01 | H8 | 60.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C08 | C07 | C06 | H13 | 180.0° | 179.9° |
| C07 | C08 | C09 | H14 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.8° | 180.0° |
| C08 | C07 | C06 | N31 | 0.1° | 0.3° |
| C07 | C08 | C09 | C10 | 179.8° | 180.0° |
| C07 | C08 | C09 | C30 | 0.4° | 0.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C07 | C06 | C05 | N31 | 179.9° | 179.7° |
| C07 | C06 | C05 | C04 | 168.9° | 6.2° |
| C07 | C06 | N31 | C30 | 0.1° | 0.5° |
| C06 | C07 | C08 | H14 | 179.7° | 179.9° |
| C08 | C09 | C10 | C29 | 92.7° | 75.9° |
| C08 | C09 | C10 | C30 | 179.4° | 180.0° |
| C08 | C09 | C10 | C11 | 87.6° | 104.3° |
| C08 | C09 | C30 | N31 | 0.4° | 0.2° |
| C08 | C09 | C30 | C32 | 180.0° | 180.0° |
| C09 | C08 | C07 | H13 | 179.7° | 179.9° |
| F16 | C14 | F15 | C13 | 119.8° | 119.9° |
| F16 | C14 | F15 | F17 | 120.4° | 120.0° |
| F16 | C14 | C13 | F17 | 120.6° | 120.0° |
| F16 | C14 | C13 | N12 | 46.5° | 59.9° |
| F16 | C14 | C13 | H1 | 167.0° | 179.8° |
| F16 | C14 | C13 | H2 | 74.0° | 60.2° |
| C28 | C29 | C10 | H15 | 180.0° | 179.4° |
| C29 | C28 | C26 | H6 | 180.0° | 179.7° |
| C28 | C29 | C10 | C09 | 179.7° | 179.7° |
| C28 | C29 | C10 | C11 | 0.1° | 0.1° |
| C29 | C28 | C26 | CL27 | 180.0° | 179.7° |
| C29 | C28 | C26 | C25 | 0.1° | 0.9° |
| C10 | C29 | C28 | C26 | 0.1° | 0.6° |
| C29 | C10 | C09 | C11 | 179.7° | 179.8° |
| C29 | C10 | C09 | C30 | 87.9° | 104.1° |
| C29 | C10 | C11 | C25 | 0.2° | 0.2° |
| C29 | C10 | C11 | N12 | 179.7° | 179.7° |
| C10 | C29 | C28 | H6 | 179.9° | 179.7° |
| C06 | C05 | C04 | C02 | 83.1° | 176.7° |
| C05 | C06 | N31 | C30 | 179.8° | 179.8° |
| C05 | C06 | C07 | H13 | 0.2° | 0.1° |
| N31 | C06 | C05 | C04 | 11.2° | 174.1° |
| C06 | N31 | C30 | C09 | 0.2° | 0.5° |
| C06 | N31 | C30 | C32 | 179.8° | 179.7° |
| N31 | C06 | C07 | H13 | 179.9° | 179.8° |
| C05 | C04 | C02 | C01 | 49.2° | 170.9° |
| C05 | C04 | C02 | S59 | 169.3° | 50.9° |
| C28 | C26 | CL27 | C25 | 179.9° | 179.4° |
| C28 | C26 | C25 | C11 | 0.1° | 0.6° |
| C28 | C26 | C25 | C19 | 179.9° | 179.4° |
| C26 | C28 | C29 | H15 | 179.9° | 180.0° |
| C04 | C02 | C01 | S59 | 121.9° | 120.0° |
| C04 | C02 | S59 | O61 | 67.6° | 65.5° |
| C04 | C02 | S59 | O62 | 179.7° | 65.5° |
| C04 | C02 | S59 | C60 | 56.8° | 180.0° |
| C04 | C02 | C01 | H7 | 61.6° | 60.0° |
| C04 | C02 | C01 | H8 | 178.4° | 60.0° |
| C04 | C02 | C01 | H9 | 58.4° | 180.0° |
| C04 | C02 | C03 | H10 | 180.0° | 60.0° |
| C04 | C02 | C03 | H11 | 60.0° | 60.0° |
| C04 | C02 | C03 | H12 | 60.0° | 180.0° |
| C01 | C02 | S59 | O61 | 173.2° | 174.5° |
| C01 | C02 | S59 | O62 | 61.0° | 54.5° |
| C01 | C02 | S59 | C60 | 62.5° | 60.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.1° |
| C02 | C01 | H7 | H9 | 120.0° | 119.9° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C03 | H10 | 62.5° | 60.0° |
| C01 | C02 | C03 | H11 | 177.4° | 180.0° |
| C01 | C02 | C03 | H12 | 57.5° | 60.0° |
| C02 | S59 | O61 | O62 | 118.8° | 124.9° |
| C02 | S59 | O61 | C60 | 123.6° | 110.1° |
| C02 | S59 | O62 | C60 | 123.0° | 110.1° |
| S59 | C02 | C01 | H7 | 60.3° | 60.0° |
| S59 | C02 | C01 | H8 | 59.7° | 180.0° |
| S59 | C02 | C01 | H9 | 179.7° | 60.0° |
| S59 | C02 | C03 | H10 | 56.9° | 180.0° |
| S59 | C02 | C03 | H11 | 63.1° | 60.0° |
| S59 | C02 | C03 | H12 | 177.0° | 60.0° |
| C02 | S59 | C60 | H32 | 180.0° | 60.0° |
| C02 | S59 | C60 | H33 | 60.0° | 180.0° |
| C02 | S59 | C60 | H34 | 60.0° | 60.0° |
| C09 | C10 | C11 | C25 | 179.9° | 180.0° |
| C09 | C10 | C11 | N12 | 0.7° | 0.1° |
| C10 | C09 | C30 | N31 | 179.8° | 179.8° |
| C10 | C09 | C30 | C32 | 0.6° | 0.0° |
| C10 | C09 | C08 | H14 | 0.2° | 0.0° |
| C09 | C10 | C29 | H15 | 0.3° | 0.3° |
| C30 | C09 | C10 | C11 | 91.7° | 75.7° |
| C09 | C30 | N31 | C32 | 179.6° | 179.8° |
| C09 | C30 | C32 | C33 | 97.9° | 114.2° |
| C09 | C30 | C32 | N42 | 142.0° | 125.8° |
| C30 | C09 | C08 | H14 | 179.6° | 180.0° |
| C09 | C30 | C32 | H16 | 21.1° | 5.8° |
| C10 | C11 | C25 | C26 | 0.2° | 0.1° |
| C10 | C11 | C25 | N12 | 179.6° | 179.9° |
| C10 | C11 | C25 | C19 | 179.9° | 179.9° |
| C10 | C11 | N12 | C13 | 0.9° | 0.1° |
| C10 | C11 | N12 | N18 | 179.8° | 179.9° |
| C11 | C10 | C29 | H15 | 180.0° | 179.5° |
| F15 | C14 | C13 | F17 | 119.6° | 120.1° |
| F15 | C14 | C13 | N12 | 166.3° | 179.8° |
| F15 | C14 | C13 | H1 | 73.2° | 60.2° |
| F15 | C14 | C13 | H2 | 45.8° | 59.8° |
| CL27 | C26 | C25 | C11 | 179.9° | 179.9° |
| CL27 | C26 | C25 | C19 | 0.1° | 0.0° |
| CL27 | C26 | C28 | H6 | 0.0° | 0.0° |
| C26 | C25 | C11 | C19 | 179.8° | 180.0° |
| C26 | C25 | C11 | N12 | 179.8° | 180.0° |
| C26 | C25 | C19 | N18 | 179.9° | 180.0° |
| C26 | C25 | C19 | N20 | 0.5° | 0.0° |
| C25 | C26 | C28 | H6 | 179.9° | 179.5° |
| O61 | S59 | O62 | C60 | 118.1° | 125.0° |
| O61 | S59 | C60 | H32 | 55.4° | 54.5° |
| O61 | S59 | C60 | H33 | 175.5° | 65.6° |
| O61 | S59 | C60 | H34 | 64.5° | 174.5° |
| C14 | C13 | N12 | C11 | 135.7° | 96.4° |
| C14 | C13 | N12 | H1 | 120.5° | 119.9° |
| C14 | C13 | N12 | H2 | 120.5° | 120.0° |
| C14 | C13 | N12 | N18 | 45.1° | 83.6° |
| C14 | C13 | H1 | H2 | 118.5° | 120.0° |
| F17 | C14 | C13 | N12 | 74.1° | 60.1° |
| F17 | C14 | C13 | H1 | 46.4° | 59.8° |
| F17 | C14 | C13 | H2 | 165.4° | 179.8° |
| C25 | C11 | N12 | C13 | 179.6° | 180.0° |
| C25 | C11 | N12 | N18 | 0.3° | 0.0° |
| C11 | C25 | C19 | N18 | 0.3° | 0.0° |
| C11 | C25 | C19 | N20 | 179.7° | 180.0° |
| N12 | C11 | C25 | C19 | 0.4° | 0.0° |
| C11 | N12 | C13 | N18 | 179.2° | 180.0° |
| C11 | N12 | N18 | C19 | 0.2° | 0.0° |
| C11 | N12 | C13 | H1 | 103.8° | 23.5° |
| C11 | N12 | C13 | H2 | 15.3° | 143.6° |
| C25 | C19 | N18 | N12 | 0.1° | 0.0° |
| C25 | C19 | N18 | N20 | 179.4° | 180.0° |
| C25 | C19 | N20 | S21 | 164.5° | 180.0° |
| C25 | C19 | N20 | H35 | 42.8° | 0.0° |
| N31 | C30 | C32 | C33 | 81.7° | 66.0° |
| N31 | C30 | C32 | N42 | 38.4° | 54.1° |
| N31 | C30 | C32 | H16 | 159.3° | 174.0° |
| O62 | S59 | C60 | H32 | 56.0° | 174.5° |
| O62 | S59 | C60 | H33 | 64.0° | 65.5° |
| O62 | S59 | C60 | H34 | 176.0° | 54.5° |
| S59 | C60 | H32 | H33 | 120.0° | 120.0° |
| S59 | C60 | H32 | H34 | 120.0° | 120.0° |
| S59 | C60 | H33 | H34 | 120.0° | 119.9° |
| C13 | N12 | N18 | C19 | 179.4° | 180.0° |
| N12 | C13 | H1 | H2 | 118.5° | 120.1° |
| N12 | N18 | C19 | N20 | 179.5° | 180.0° |
| N18 | N12 | C13 | H1 | 75.4° | 156.5° |
| N18 | N12 | C13 | H2 | 165.6° | 36.4° |
| C30 | C32 | C33 | N42 | 119.6° | 120.0° |
| C30 | C32 | C33 | H16 | 119.0° | 120.0° |
| C30 | C32 | C33 | C34 | 172.8° | 63.1° |
| C30 | C32 | N42 | H16 | 120.2° | 119.9° |
| C30 | C32 | N42 | C43 | 117.9° | 155.6° |
| C30 | C32 | C33 | H17 | 66.7° | 176.9° |
| C30 | C32 | C33 | H18 | 52.2° | 57.0° |
| C30 | C32 | N42 | H36 | 62.1° | 24.4° |
| N18 | C19 | N20 | S21 | 16.2° | 0.0° |
| N18 | C19 | N20 | H35 | 137.9° | 180.0° |
| C19 | N20 | S21 | C22 | 113.4° | 65.0° |
| C19 | N20 | S21 | H35 | 121.7° | 180.0° |
| C19 | N20 | S21 | O23 | 10.9° | 51.1° |
| C19 | N20 | S21 | O24 | 122.9° | 178.9° |
| C22 | S21 | N20 | O23 | 124.3° | 116.1° |
| C22 | S21 | N20 | O24 | 123.7° | 116.1° |
| C22 | S21 | O23 | O24 | 117.6° | 131.5° |
| S21 | C22 | H3 | H4 | 120.0° | 120.1° |
| S21 | C22 | H3 | H5 | 120.0° | 120.0° |
| S21 | C22 | H4 | H5 | 120.0° | 120.0° |
| C22 | S21 | N20 | H35 | 124.9° | 115.0° |
| N20 | S21 | O23 | O24 | 118.9° | 116.8° |
| N20 | S21 | C22 | H3 | 180.0° | 60.0° |
| N20 | S21 | C22 | H4 | 60.0° | 180.0° |
| N20 | S21 | C22 | H5 | 60.0° | 60.0° |
| C32 | C33 | C34 | H17 | 120.5° | 120.0° |
| C32 | C33 | C34 | H18 | 120.5° | 120.0° |
| C33 | C32 | N42 | H16 | 120.7° | 120.0° |
| C32 | C33 | C34 | C41 | 97.0° | 89.2° |
| C32 | C33 | C34 | C35 | 83.2° | 91.1° |
| C33 | C32 | N42 | C43 | 123.0° | 84.4° |
| C32 | C33 | H17 | H18 | 118.4° | 119.9° |
| C33 | C32 | N42 | H36 | 56.9° | 95.6° |
| C34 | C33 | C32 | N42 | 67.6° | 176.9° |
| C33 | C34 | C41 | C35 | 179.8° | 179.7° |
| C33 | C34 | C41 | C39 | 179.8° | 179.7° |
| C33 | C34 | C35 | C36 | 180.0° | 180.0° |
| C34 | C33 | C32 | H16 | 53.8° | 56.9° |
| C34 | C33 | H17 | H18 | 118.4° | 120.0° |
| C33 | C34 | C35 | H19 | 0.1° | 0.1° |
| C33 | C34 | C41 | H21 | 0.2° | 0.1° |
| C32 | N42 | C43 | H36 | 180.0° | 180.0° |
| C32 | N42 | C43 | O44 | 0.0° | 4.8° |
| C32 | N42 | C43 | C45 | 179.9° | 175.1° |
| N42 | C32 | C33 | H17 | 52.9° | 56.9° |
| N42 | C32 | C33 | H18 | 171.9° | 63.0° |
| O23 | S21 | C22 | H3 | 55.7° | 171.6° |
| O23 | S21 | C22 | H4 | 175.7° | 68.3° |
| O23 | S21 | C22 | H5 | 64.3° | 51.6° |
| O23 | S21 | N20 | H35 | 110.8° | 128.9° |
| O24 | S21 | C22 | H3 | 55.7° | 51.7° |
| O24 | S21 | C22 | H4 | 64.3° | 68.4° |
| O24 | S21 | C22 | H5 | 175.7° | 171.7° |
| O24 | S21 | N20 | H35 | 1.2° | 1.1° |
| C34 | C41 | C39 | H21 | 180.0° | 179.8° |
| C34 | C41 | C39 | F40 | 179.9° | 179.7° |
| C34 | C41 | C39 | C38 | 0.1° | 0.5° |
| C41 | C34 | C35 | C36 | 0.2° | 0.3° |
| C41 | C34 | C33 | H17 | 142.5° | 150.8° |
| C41 | C34 | C33 | H18 | 23.5° | 30.8° |
| C41 | C34 | C35 | H19 | 179.8° | 179.8° |
| C39 | C41 | C34 | C35 | 0.1° | 0.5° |
| C41 | C39 | F40 | C38 | 179.8° | 179.8° |
| C41 | C39 | C38 | C36 | 0.1° | 0.2° |
| C41 | C39 | C38 | H20 | 179.9° | 179.8° |
| C34 | C35 | C36 | H19 | 180.0° | 179.9° |
| C34 | C35 | C36 | C38 | 0.1° | 0.0° |
| C34 | C35 | C36 | F37 | 179.9° | 179.9° |
| C35 | C34 | C33 | H17 | 37.3° | 28.9° |
| C35 | C34 | C33 | H18 | 156.2° | 148.9° |
| C35 | C34 | C41 | H21 | 179.9° | 179.7° |
| N42 | C43 | O44 | C45 | 179.9° | 179.9° |
| N42 | C43 | C45 | N46 | 163.9° | 177.7° |
| C43 | N42 | C32 | H16 | 2.3° | 35.6° |
| N42 | C43 | C45 | H22 | 75.9° | 57.8° |
| N42 | C43 | C45 | H23 | 43.7° | 62.2° |
| F40 | C39 | C38 | C36 | 179.9° | 180.0° |
| F40 | C39 | C38 | H20 | 0.1° | 0.0° |
| F40 | C39 | C41 | H21 | 0.1° | 0.1° |
| C39 | C38 | C36 | C35 | 0.0° | 0.0° |
| C39 | C38 | C36 | H20 | 180.0° | 180.0° |
| C39 | C38 | C36 | F37 | 179.9° | 179.9° |
| C38 | C39 | C41 | H21 | 179.9° | 179.7° |
| O44 | C43 | C45 | N46 | 16.2° | 2.4° |
| O44 | C43 | C45 | H22 | 104.0° | 122.3° |
| O44 | C43 | C45 | H23 | 136.4° | 117.7° |
| O44 | C43 | N42 | H36 | 180.0° | 175.1° |
| C43 | C45 | N46 | H22 | 120.2° | 120.0° |
| C43 | C45 | N46 | H23 | 120.2° | 120.1° |
| C43 | C45 | N46 | N47 | 110.2° | 94.2° |
| C43 | C45 | N46 | C50 | 70.2° | 85.2° |
| C43 | C45 | H22 | H23 | 119.3° | 120.1° |
| C45 | C43 | N42 | H36 | 0.1° | 5.0° |
| C35 | C36 | C38 | F37 | 180.0° | 179.9° |
| C35 | C36 | C38 | H20 | 180.0° | 179.9° |
| C38 | C36 | C35 | H19 | 179.9° | 179.9° |
| C45 | N46 | N47 | C50 | 179.7° | 179.5° |
| C45 | N46 | N47 | C48 | 179.9° | 180.0° |
| C45 | N46 | C50 | C51 | 0.3° | 0.1° |
| C45 | N46 | C50 | C49 | 179.8° | 179.9° |
| N46 | C45 | H22 | H23 | 119.3° | 119.9° |
| F37 | C36 | C35 | H19 | 0.1° | 0.0° |
| F37 | C36 | C38 | H20 | 0.0° | 0.0° |
| N47 | N46 | C50 | C51 | 179.9° | 179.7° |
| N47 | N46 | C50 | C49 | 0.2° | 0.4° |
| N46 | N47 | C48 | C49 | 0.2° | 0.4° |
| N46 | N47 | C48 | C55 | 180.0° | 179.8° |
| N47 | N46 | C45 | H22 | 10.0° | 25.8° |
| N47 | N46 | C45 | H23 | 129.5° | 145.7° |
| C50 | N46 | N47 | C48 | 0.2° | 0.5° |
| N46 | C50 | C51 | C49 | 179.9° | 180.0° |
| N46 | C50 | C51 | C52 | 163.7° | 163.4° |
| N46 | C50 | C49 | C48 | 0.1° | 0.1° |
| N46 | C50 | C49 | C54 | 180.0° | 179.9° |
| C50 | N46 | C45 | H22 | 169.6° | 154.8° |
| C50 | N46 | C45 | H23 | 50.1° | 34.9° |
| N46 | C50 | C51 | H24 | 43.2° | 76.8° |
| N46 | C50 | C51 | H25 | 75.8° | 43.7° |
| N47 | C48 | C49 | C50 | 0.1° | 0.2° |
| N47 | C48 | C49 | C55 | 179.9° | 179.7° |
| N47 | C48 | C49 | C54 | 179.9° | 179.8° |
| N47 | C48 | C55 | F57 | 6.5° | 150.3° |
| N47 | C48 | C55 | F56 | 113.7° | 30.3° |
| N47 | C48 | C55 | F58 | 126.3° | 89.7° |
| C50 | C51 | C52 | H24 | 120.5° | 119.7° |
| C50 | C51 | C52 | H25 | 120.6° | 119.7° |
| C51 | C50 | C49 | C48 | 180.0° | 179.9° |
| C51 | C50 | C49 | C54 | 0.1° | 0.1° |
| C50 | C51 | C52 | C53 | 44.7° | 49.9° |
| C50 | C51 | H24 | H25 | 118.4° | 120.5° |
| C50 | C51 | C52 | H26 | 75.8° | 170.0° |
| C50 | C51 | C52 | H27 | 165.2° | 70.1° |
| C49 | C50 | C51 | C52 | 16.4° | 16.6° |
| C50 | C49 | C48 | C54 | 179.9° | 180.0° |
| C50 | C49 | C48 | C55 | 179.9° | 179.9° |
| C50 | C49 | C54 | C53 | 12.0° | 16.7° |
| C49 | C50 | C51 | H24 | 136.9° | 103.1° |
| C49 | C50 | C51 | H25 | 104.1° | 136.3° |
| C50 | C49 | C54 | H30 | 132.6° | 103.1° |
| C50 | C49 | C54 | H31 | 108.7° | 136.3° |
| C51 | C52 | C53 | H26 | 120.5° | 120.0° |
| C51 | C52 | C53 | H27 | 120.5° | 120.0° |
| C51 | C52 | C53 | C54 | 57.9° | 70.3° |
| C52 | C51 | H24 | H25 | 118.4° | 120.6° |
| C51 | C52 | H26 | H27 | 118.4° | 119.9° |
| C51 | C52 | C53 | H28 | 178.4° | 49.8° |
| C51 | C52 | C53 | H29 | 62.6° | 169.7° |
| C49 | C48 | C55 | F57 | 173.3° | 30.0° |
| C49 | C48 | C55 | F56 | 66.5° | 150.0° |
| C49 | C48 | C55 | F58 | 53.5° | 90.0° |
| C48 | C49 | C54 | C53 | 168.1° | 163.4° |
| C48 | C49 | C54 | H30 | 47.5° | 76.9° |
| C48 | C49 | C54 | H31 | 71.2° | 43.7° |
| C55 | C48 | C49 | C54 | 0.0° | 0.1° |
| C48 | C55 | F57 | F56 | 119.9° | 120.0° |
| C48 | C55 | F57 | F58 | 119.9° | 120.1° |
| C48 | C55 | F56 | F58 | 119.9° | 120.0° |
| C49 | C54 | C53 | C52 | 40.1° | 50.0° |
| C49 | C54 | C53 | H30 | 120.7° | 119.8° |
| C49 | C54 | C53 | H31 | 120.6° | 119.7° |
| C49 | C54 | C53 | H28 | 160.6° | 70.0° |
| C49 | C54 | C53 | H29 | 80.4° | 170.0° |
| C49 | C54 | H30 | H31 | 118.0° | 120.6° |
| F57 | C55 | F56 | F58 | 120.2° | 120.0° |
| C52 | C53 | C54 | H28 | 120.5° | 120.0° |
| C52 | C53 | C54 | H29 | 120.5° | 120.0° |
| C53 | C52 | C51 | H24 | 165.3° | 69.8° |
| C53 | C52 | C51 | H25 | 75.8° | 169.6° |
| C53 | C52 | H26 | H27 | 118.4° | 120.0° |
| C52 | C53 | H28 | H29 | 118.5° | 119.9° |
| C52 | C53 | C54 | H30 | 160.7° | 69.8° |
| C52 | C53 | C54 | H31 | 80.6° | 169.7° |
| C54 | C53 | C52 | H26 | 62.6° | 169.7° |
| C54 | C53 | C52 | H27 | 178.4° | 49.7° |
| C54 | C53 | H28 | H29 | 118.5° | 120.0° |
| C53 | C54 | H30 | H31 | 118.0° | 120.5° |
| H3 | C22 | H4 | H5 | 120.0° | 120.0° |
| H6 | C28 | C29 | H15 | 0.1° | 0.3° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H13 | C07 | C08 | H14 | 0.3° | 0.0° |
| H16 | C32 | C33 | H17 | 174.3° | 63.1° |
| H16 | C32 | C33 | H18 | 66.7° | 176.9° |
| H16 | C32 | N42 | H36 | 177.7° | 144.4° |
| H24 | C51 | C52 | H26 | 44.7° | 50.2° |
| H24 | C51 | C52 | H27 | 74.2° | 170.2° |
| H25 | C51 | C52 | H26 | 163.7° | 70.3° |
| H25 | C51 | C52 | H27 | 44.7° | 49.6° |
| H26 | C52 | C53 | H28 | 57.8° | 70.2° |
| H26 | C52 | C53 | H29 | 176.9° | 49.7° |
| H27 | C52 | C53 | H28 | 61.1° | 169.8° |
| H27 | C52 | C53 | H29 | 57.9° | 70.3° |
| H28 | C53 | C54 | H30 | 78.8° | 170.2° |
| H28 | C53 | C54 | H31 | 39.9° | 49.7° |
| H29 | C53 | C54 | H30 | 40.3° | 50.3° |
| H29 | C53 | C54 | H31 | 158.9° | 70.3° |
| H32 | C60 | H33 | H34 | 120.0° | 120.0° |
