7QZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C47 | doub | 1.38Å | 1.37Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.36Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.41Å | Aromatic |
| C45 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
| C48 | F49 | sing | 1.35Å | 1.31Å | |
| C48 | C43 | doub | 1.39Å | 1.33Å | Aromatic |
| C44 | C43 | sing | 1.39Å | 1.34Å | Aromatic |
| C29 | N30 | doub | 1.32Å | 1.36Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | N42 | sing | 1.40Å | 1.41Å | |
| N30 | C25 | sing | 1.32Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.36Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.35Å | Aromatic |
| N42 | C41 | sing | 1.35Å | 1.38Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.59Å | |
| C25 | C17 | sing | 1.51Å | 1.57Å | |
| C25 | C26 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C17 | sing | 1.51Å | 1.48Å | |
| C19 | N20 | doub | 1.32Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C41 | O50 | doub | 1.22Å | 1.23Å | |
| C41 | N40 | sing | 1.35Å | 1.38Å | |
| C21 | N20 | sing | 1.32Å | 1.37Å | Aromatic |
| C17 | N14 | sing | 1.46Å | 1.47Å | |
| N40 | C02 | sing | 1.40Å | 1.36Å | |
| N14 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| N14 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | C03 | doub | 1.37Å | 1.36Å | |
| C02 | C01 | sing | 1.41Å | 1.46Å | |
| C03 | C04 | sing | 1.41Å | 1.43Å | |
| C15 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| O51 | C01 | doub | 1.22Å | 1.24Å | |
| C12 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C01 | N06 | sing | 1.35Å | 1.38Å | |
| C04 | C08 | sing | 1.48Å | 1.44Å | |
| C04 | C05 | doub | 1.36Å | 1.36Å | |
| C08 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C11 | sing | 1.46Å | 1.42Å | Aromatic |
| N06 | C05 | sing | 1.36Å | 1.35Å | |
| N06 | C07 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N31 | sing | 1.40Å | 1.40Å | |
| N31 | S32 | sing | 1.66Å | 1.64Å | |
| O38 | S32 | doub | 1.42Å | 1.39Å | |
| S32 | C33 | sing | 1.81Å | 1.80Å | |
| S32 | O39 | doub | 1.42Å | 1.43Å | |
| F36 | C34 | sing | 1.40Å | 1.42Å | |
| C33 | C34 | sing | 1.53Å | 1.45Å | |
| C34 | F35 | sing | 1.40Å | 1.31Å | |
| C34 | F37 | sing | 1.40Å | 1.37Å | |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| N31 | H21 | sing | 0.97Å | 1.00Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| N40 | H24 | sing | 0.97Å | 1.00Å | |
| N42 | H25 | sing | 0.97Å | 1.00Å | |
| C44 | H26 | sing | 1.08Å | 1.08Å | |
| C45 | H27 | sing | 1.08Å | 1.08Å | |
| C46 | H28 | sing | 1.08Å | 1.08Å | |
| C47 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C47 | C46 | C45 | 119.0° | 120.1° |
| C46 | C47 | C48 | 118.4° | 120.1° |
| C47 | C46 | H28 | 120.5° | 120.0° |
| C46 | C47 | H29 | 120.8° | 119.9° |
| C46 | C45 | C44 | 119.0° | 120.1° |
| C46 | C45 | H27 | 120.5° | 120.0° |
| C45 | C46 | H28 | 120.5° | 119.9° |
| C47 | C48 | F49 | 120.5° | 120.1° |
| C47 | C48 | C43 | 124.1° | 119.9° |
| C48 | C47 | H29 | 120.8° | 120.0° |
| C45 | C44 | C43 | 123.7° | 119.9° |
| C45 | C44 | H26 | 118.1° | 120.0° |
| C44 | C45 | H27 | 120.5° | 119.9° |
| F49 | C48 | C43 | 115.3° | 120.0° |
| C48 | C43 | C44 | 115.7° | 119.9° |
| C48 | C43 | N42 | 115.5° | 120.1° |
| C44 | C43 | N42 | 128.7° | 120.1° |
| C43 | C44 | H26 | 118.2° | 120.0° |
| N30 | C29 | C28 | 125.3° | 120.8° |
| C29 | N30 | C25 | 119.0° | 121.7° |
| N30 | C29 | H20 | 117.4° | 119.6° |
| C29 | C28 | C27 | 115.4° | 119.1° |
| C29 | C28 | H19 | 122.3° | 120.5° |
| C28 | C29 | H20 | 117.4° | 119.6° |
| C43 | N42 | C41 | 122.3° | 120.0° |
| C43 | N42 | H25 | 118.8° | 120.0° |
| N30 | C25 | C17 | 116.3° | 119.6° |
| N30 | C25 | C26 | 116.8° | 120.8° |
| C24 | C23 | C22 | 124.3° | 118.4° |
| C23 | C24 | C19 | 117.7° | 119.1° |
| C24 | C23 | H15 | 117.9° | 120.8° |
| C23 | C24 | H16 | 121.1° | 120.4° |
| C23 | C22 | C21 | 117.7° | 119.2° |
| C23 | C22 | H14 | 121.1° | 120.4° |
| C22 | C23 | H15 | 117.9° | 120.8° |
| C28 | C27 | C26 | 119.4° | 118.4° |
| C28 | C27 | H18 | 120.3° | 120.7° |
| C27 | C28 | H19 | 122.3° | 120.4° |
| C24 | C19 | C17 | 119.4° | 119.6° |
| C24 | C19 | N20 | 120.9° | 120.8° |
| C19 | C24 | H16 | 121.1° | 120.4° |
| N42 | C41 | O50 | 126.0° | 120.0° |
| N42 | C41 | N40 | 115.4° | 120.0° |
| C41 | N42 | H25 | 118.9° | 120.0° |
| C22 | C21 | N20 | 119.6° | 120.8° |
| C22 | C21 | H11 | 120.2° | 119.7° |
| C21 | C22 | H14 | 121.1° | 120.4° |
| C18 | C17 | C25 | 109.5° | 109.5° |
| C18 | C17 | C19 | 107.4° | 109.5° |
| C18 | C17 | N14 | 108.0° | 109.4° |
| C17 | C18 | H8 | 109.5° | 109.5° |
| C17 | C18 | H9 | 109.5° | 109.5° |
| C17 | C18 | H10 | 109.5° | 109.4° |
| C17 | C25 | C26 | 126.8° | 119.6° |
| C25 | C17 | C19 | 110.9° | 109.5° |
| C25 | C17 | N14 | 109.1° | 109.5° |
| C25 | C26 | C27 | 124.0° | 119.1° |
| C25 | C26 | H17 | 118.0° | 120.4° |
| C17 | C19 | N20 | 119.6° | 119.6° |
| C19 | C17 | N14 | 111.9° | 109.4° |
| C19 | N20 | C21 | 119.7° | 121.7° |
| C27 | C26 | H17 | 118.0° | 120.4° |
| C26 | C27 | H18 | 120.3° | 120.8° |
| O50 | C41 | N40 | 118.6° | 120.0° |
| C41 | N40 | C02 | 128.8° | 120.0° |
| C41 | N40 | H24 | 115.6° | 119.9° |
| N20 | C21 | H11 | 120.2° | 119.6° |
| C17 | N14 | C15 | 125.6° | 125.1° |
| C17 | N14 | C12 | 125.4° | 125.1° |
| N40 | C02 | C03 | 125.7° | 120.3° |
| N40 | C02 | C01 | 116.0° | 120.4° |
| C02 | N40 | H24 | 115.6° | 120.0° |
| C15 | N14 | C12 | 108.0° | 109.8° |
| N14 | C15 | C16 | 109.5° | 109.9° |
| N14 | C15 | H6 | 125.2° | 125.0° |
| N14 | C12 | C13 | 130.4° | 133.3° |
| N14 | C12 | C11 | 107.6° | 107.1° |
| C03 | C02 | C01 | 118.3° | 119.3° |
| C02 | C03 | C04 | 124.2° | 119.1° |
| C02 | C03 | H12 | 117.9° | 120.4° |
| C02 | C01 | O51 | 122.6° | 119.9° |
| C02 | C01 | N06 | 114.6° | 120.2° |
| C03 | C04 | C08 | 117.5° | 120.1° |
| C03 | C04 | C05 | 116.3° | 119.8° |
| C04 | C03 | H12 | 117.9° | 120.5° |
| C15 | C16 | C11 | 107.8° | 107.0° |
| C16 | C15 | H6 | 125.3° | 125.1° |
| C15 | C16 | H7 | 126.1° | 126.5° |
| C12 | C13 | C08 | 119.1° | 120.0° |
| C13 | C12 | C11 | 122.0° | 119.6° |
| C12 | C13 | H5 | 120.5° | 120.0° |
| C13 | C08 | C04 | 119.8° | 119.8° |
| C13 | C08 | C09 | 117.8° | 120.5° |
| C08 | C13 | H5 | 120.4° | 120.0° |
| O51 | C01 | N06 | 122.8° | 119.9° |
| C12 | C11 | C16 | 107.0° | 106.1° |
| C12 | C11 | C10 | 119.4° | 120.1° |
| C01 | N06 | C05 | 126.0° | 120.9° |
| C01 | N06 | C07 | 116.7° | 119.5° |
| C08 | C04 | C05 | 126.2° | 120.1° |
| C04 | C08 | C09 | 122.3° | 119.7° |
| C04 | C05 | N06 | 120.6° | 120.7° |
| C04 | C05 | H13 | 119.7° | 119.6° |
| C08 | C09 | C10 | 124.1° | 120.2° |
| C08 | C09 | H4 | 117.9° | 120.0° |
| C16 | C11 | C10 | 133.5° | 133.8° |
| C11 | C16 | H7 | 126.1° | 126.5° |
| C05 | N06 | C07 | 117.3° | 119.6° |
| N06 | C05 | H13 | 119.7° | 119.7° |
| N06 | C07 | H1 | 109.5° | 109.5° |
| N06 | C07 | H2 | 109.5° | 109.4° |
| N06 | C07 | H3 | 109.5° | 109.5° |
| C11 | C10 | C09 | 117.3° | 119.7° |
| C11 | C10 | N31 | 117.8° | 120.2° |
| C09 | C10 | N31 | 124.9° | 120.1° |
| C10 | C09 | H4 | 118.0° | 119.9° |
| C10 | N31 | S32 | 124.0° | 120.0° |
| C10 | N31 | H21 | 105.7° | 120.0° |
| N31 | S32 | O38 | 109.3° | 104.3° |
| N31 | S32 | C33 | 108.3° | 104.4° |
| N31 | S32 | O39 | 106.2° | 104.3° |
| S32 | N31 | H21 | 105.8° | 120.0° |
| O38 | S32 | C33 | 104.9° | 110.5° |
| O38 | S32 | O39 | 119.4° | 121.0° |
| C33 | S32 | O39 | 108.5° | 110.5° |
| S32 | C33 | C34 | 112.0° | 109.5° |
| S32 | C33 | H22 | 108.8° | 109.5° |
| S32 | C33 | H23 | 108.8° | 109.4° |
| F36 | C34 | C33 | 113.3° | 109.5° |
| F36 | C34 | F35 | 100.8° | 109.5° |
| F36 | C34 | F37 | 102.0° | 109.5° |
| C33 | C34 | F35 | 114.7° | 109.5° |
| C33 | C34 | F37 | 119.2° | 109.5° |
| C34 | C33 | H22 | 108.9° | 109.5° |
| C34 | C33 | H23 | 108.9° | 109.5° |
| F35 | C34 | F37 | 104.6° | 109.5° |
| H1 | C07 | H2 | 109.4° | 109.4° |
| H1 | C07 | H3 | 109.5° | 109.5° |
| H2 | C07 | H3 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H10 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C47 | C46 | C45 | H28 | 180.0° | 179.7° |
| C46 | C47 | C48 | H29 | 180.0° | 179.7° |
| C47 | C46 | C45 | C44 | 1.0° | 0.1° |
| C46 | C47 | C48 | F49 | 176.9° | 179.9° |
| C46 | C47 | C48 | C43 | 0.1° | 0.6° |
| C47 | C46 | C45 | H27 | 179.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.1° | 0.3° |
| C46 | C45 | C44 | H27 | 180.0° | 180.0° |
| C46 | C45 | C44 | C43 | 2.6° | 0.0° |
| C46 | C45 | C44 | H26 | 177.4° | 180.0° |
| C45 | C46 | C47 | H29 | 179.9° | 180.0° |
| C47 | C48 | F49 | C43 | 177.1° | 179.5° |
| C47 | C48 | C43 | C44 | 1.5° | 0.5° |
| C47 | C48 | C43 | N42 | 178.9° | 179.7° |
| C48 | C47 | C46 | H28 | 179.9° | 180.0° |
| C45 | C44 | C43 | C48 | 2.7° | 0.2° |
| C45 | C44 | C43 | H26 | 180.0° | 180.0° |
| C45 | C44 | C43 | N42 | 179.7° | 180.0° |
| C44 | C45 | C46 | H28 | 179.0° | 179.7° |
| F49 | C48 | C43 | C44 | 178.4° | 180.0° |
| F49 | C48 | C43 | N42 | 4.2° | 0.2° |
| F49 | C48 | C47 | H29 | 3.1° | 0.3° |
| C48 | C43 | C44 | N42 | 177.0° | 179.8° |
| C48 | C43 | N42 | C41 | 167.0° | 153.5° |
| C48 | C43 | N42 | H25 | 13.0° | 26.4° |
| C48 | C43 | C44 | H26 | 177.3° | 179.8° |
| C43 | C48 | C47 | H29 | 179.9° | 179.8° |
| C44 | C43 | N42 | C41 | 10.0° | 26.3° |
| C44 | C43 | N42 | H25 | 170.0° | 153.8° |
| C43 | C44 | C45 | H27 | 177.5° | 180.0° |
| N30 | C29 | C28 | H20 | 180.0° | 179.5° |
| N30 | C29 | C28 | C27 | 0.6° | 0.3° |
| C29 | N30 | C25 | C17 | 179.8° | 179.7° |
| C29 | N30 | C25 | C26 | 3.3° | 0.5° |
| N30 | C29 | C28 | H19 | 179.4° | 179.8° |
| C28 | C29 | N30 | C25 | 0.6° | 0.5° |
| C29 | C28 | C27 | H19 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.9° | 0.0° |
| C29 | C28 | C27 | H18 | 179.1° | 179.9° |
| C43 | N42 | C41 | H25 | 180.0° | 179.9° |
| C43 | N42 | C41 | O50 | 0.9° | 4.7° |
| C43 | N42 | C41 | N40 | 179.0° | 175.4° |
| N42 | C43 | C44 | H26 | 0.3° | 0.0° |
| N30 | C25 | C17 | C18 | 38.1° | 135.3° |
| N30 | C25 | C17 | C26 | 176.1° | 179.7° |
| N30 | C25 | C17 | C19 | 80.3° | 104.7° |
| N30 | C25 | C26 | C27 | 5.0° | 0.3° |
| N30 | C25 | C17 | N14 | 156.1° | 15.3° |
| N30 | C25 | C26 | H17 | 174.9° | 179.8° |
| C25 | N30 | C29 | H20 | 179.4° | 180.0° |
| C24 | C23 | C22 | H15 | 180.0° | 179.9° |
| C23 | C24 | C19 | H16 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 2.7° | 0.3° |
| C23 | C24 | C19 | C17 | 177.5° | 180.0° |
| C23 | C24 | C19 | N20 | 0.5° | 0.2° |
| C24 | C23 | C22 | H14 | 177.4° | 180.0° |
| C22 | C23 | C24 | C19 | 2.5° | 0.1° |
| C23 | C22 | C21 | H14 | 180.0° | 179.7° |
| C23 | C22 | C21 | N20 | 0.1° | 0.3° |
| C23 | C22 | C21 | H11 | 179.9° | 179.7° |
| C22 | C23 | C24 | H16 | 177.6° | 180.0° |
| C28 | C27 | C26 | C25 | 3.9° | 0.0° |
| C28 | C27 | C26 | H18 | 180.0° | 179.9° |
| C28 | C27 | C26 | H17 | 176.1° | 179.9° |
| C27 | C28 | C29 | H20 | 179.4° | 179.7° |
| C24 | C19 | C17 | C18 | 105.6° | 72.9° |
| C24 | C19 | C17 | C25 | 14.0° | 47.2° |
| C24 | C19 | C17 | N20 | 177.1° | 179.8° |
| C24 | C19 | N20 | C21 | 3.1° | 0.2° |
| C24 | C19 | C17 | N14 | 136.0° | 167.2° |
| C19 | C24 | C23 | H15 | 177.6° | 180.0° |
| N42 | C41 | O50 | N40 | 179.9° | 179.9° |
| N42 | C41 | N40 | C02 | 176.8° | 175.1° |
| N42 | C41 | N40 | H24 | 3.3° | 5.1° |
| C22 | C21 | N20 | C19 | 2.8° | 0.0° |
| C22 | C21 | N20 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | H15 | 177.4° | 179.8° |
| C18 | C17 | C25 | C19 | 118.4° | 120.0° |
| C18 | C17 | C25 | N14 | 118.0° | 120.0° |
| C18 | C17 | C25 | C26 | 145.8° | 45.0° |
| C18 | C17 | C19 | N14 | 118.4° | 119.9° |
| C18 | C17 | C19 | N20 | 71.5° | 107.4° |
| C18 | C17 | N14 | C15 | 26.8° | 5.2° |
| C18 | C17 | N14 | C12 | 166.6° | 174.9° |
| C17 | C18 | H8 | H9 | 120.0° | 120.0° |
| C17 | C18 | H8 | H10 | 120.0° | 120.0° |
| C17 | C18 | H9 | H10 | 120.0° | 119.9° |
| C25 | C17 | C19 | N14 | 122.0° | 120.0° |
| C25 | C17 | C19 | N20 | 168.9° | 132.6° |
| C17 | C25 | C26 | C27 | 178.9° | 180.0° |
| C25 | C17 | N14 | C15 | 92.1° | 114.9° |
| C25 | C17 | N14 | C12 | 74.5° | 65.1° |
| C25 | C17 | C18 | H8 | 180.0° | 180.0° |
| C25 | C17 | C18 | H9 | 60.0° | 60.0° |
| C25 | C17 | C18 | H10 | 60.0° | 60.0° |
| C17 | C25 | C26 | H17 | 1.1° | 0.1° |
| C26 | C25 | C17 | C19 | 95.8° | 75.0° |
| C25 | C26 | C27 | H17 | 180.0° | 179.9° |
| C26 | C25 | C17 | N14 | 27.8° | 165.0° |
| C25 | C26 | C27 | H18 | 176.1° | 179.9° |
| C17 | C19 | N20 | C21 | 179.9° | 180.0° |
| C19 | C17 | N14 | C15 | 144.9° | 125.1° |
| C19 | C17 | N14 | C12 | 48.5° | 55.0° |
| C19 | C17 | C18 | H8 | 59.5° | 60.0° |
| C19 | C17 | C18 | H9 | 60.5° | 60.1° |
| C19 | C17 | C18 | H10 | 179.5° | 180.0° |
| C17 | C19 | C24 | H16 | 2.5° | 0.1° |
| N20 | C19 | C17 | N14 | 46.9° | 12.6° |
| C19 | N20 | C21 | H11 | 177.1° | 180.0° |
| N20 | C19 | C24 | H16 | 179.5° | 179.7° |
| C26 | C27 | C28 | H19 | 179.1° | 179.9° |
| O50 | C41 | N40 | C02 | 3.2° | 4.8° |
| O50 | C41 | N40 | H24 | 176.8° | 175.1° |
| O50 | C41 | N42 | H25 | 179.1° | 175.3° |
| C41 | N40 | C02 | H24 | 180.0° | 179.9° |
| C41 | N40 | C02 | C03 | 0.3° | 120.6° |
| C41 | N40 | C02 | C01 | 179.4° | 59.4° |
| N40 | C41 | N42 | H25 | 1.0° | 4.5° |
| N20 | C21 | C22 | H14 | 179.9° | 180.0° |
| C17 | N14 | C15 | C12 | 168.6° | 179.9° |
| C17 | N14 | C15 | C16 | 172.3° | 180.0° |
| C17 | N14 | C12 | C13 | 6.3° | 0.0° |
| C17 | N14 | C12 | C11 | 171.7° | 180.0° |
| C17 | N14 | C15 | H6 | 7.7° | 0.0° |
| N14 | C17 | C18 | H8 | 61.3° | 60.0° |
| N14 | C17 | C18 | H9 | 178.7° | 180.0° |
| N14 | C17 | C18 | H10 | 58.7° | 60.0° |
| N40 | C02 | C03 | C01 | 179.1° | 180.0° |
| N40 | C02 | C03 | C04 | 178.5° | 180.0° |
| N40 | C02 | C01 | O51 | 0.7° | 0.2° |
| N40 | C02 | C01 | N06 | 179.3° | 179.9° |
| N40 | C02 | C03 | H12 | 1.5° | 0.1° |
| N14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C15 | N14 | C12 | C13 | 174.9° | 180.0° |
| C15 | N14 | C12 | C11 | 3.1° | 0.1° |
| N14 | C15 | C16 | C11 | 2.9° | 0.0° |
| N14 | C15 | C16 | H7 | 177.1° | 180.0° |
| C12 | N14 | C15 | C16 | 3.7° | 0.0° |
| N14 | C12 | C13 | C11 | 177.7° | 180.0° |
| N14 | C12 | C13 | C08 | 178.3° | 180.0° |
| N14 | C12 | C11 | C16 | 1.3° | 0.0° |
| N14 | C12 | C11 | C10 | 179.5° | 180.0° |
| N14 | C12 | C13 | H5 | 1.7° | 0.0° |
| C12 | N14 | C15 | H6 | 176.3° | 180.0° |
| C02 | C03 | C04 | H12 | 180.0° | 179.9° |
| C03 | C02 | C01 | O51 | 179.9° | 179.8° |
| C03 | C02 | C01 | N06 | 0.1° | 0.1° |
| C02 | C03 | C04 | C08 | 178.8° | 180.0° |
| C02 | C03 | C04 | C05 | 1.3° | 0.0° |
| C03 | C02 | N40 | H24 | 179.7° | 59.5° |
| C01 | C02 | C03 | C04 | 0.6° | 0.0° |
| C02 | C01 | O51 | N06 | 180.0° | 179.8° |
| C02 | C01 | N06 | C05 | 0.0° | 0.1° |
| C02 | C01 | N06 | C07 | 177.9° | 180.0° |
| C01 | C02 | C03 | H12 | 179.4° | 179.9° |
| C01 | C02 | N40 | H24 | 0.6° | 120.5° |
| C03 | C04 | C08 | C13 | 40.0° | 64.8° |
| C03 | C04 | C08 | C05 | 179.9° | 180.0° |
| C03 | C04 | C08 | C09 | 135.6° | 115.0° |
| C03 | C04 | C05 | N06 | 1.3° | 0.0° |
| C03 | C04 | C05 | H13 | 178.6° | 179.9° |
| C15 | C16 | C11 | C12 | 1.0° | 0.0° |
| C15 | C16 | C11 | H7 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 176.9° | 180.0° |
| C12 | C13 | C08 | H5 | 180.0° | 179.9° |
| C12 | C13 | C08 | C04 | 172.7° | 179.8° |
| C12 | C13 | C08 | C09 | 3.0° | 0.0° |
| C13 | C12 | C11 | C16 | 176.9° | 180.0° |
| C13 | C12 | C11 | C10 | 1.3° | 0.0° |
| C08 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C08 | C04 | C09 | 175.5° | 179.8° |
| C13 | C08 | C04 | C05 | 139.9° | 115.2° |
| C13 | C08 | C09 | C10 | 6.1° | 0.0° |
| C13 | C08 | C09 | H4 | 173.9° | 179.9° |
| O51 | C01 | N06 | C05 | 180.0° | 179.7° |
| O51 | C01 | N06 | C07 | 2.1° | 0.2° |
| C12 | C11 | C16 | C10 | 177.9° | 180.0° |
| C12 | C11 | C10 | C09 | 1.5° | 0.0° |
| C12 | C11 | C10 | N31 | 179.5° | 180.0° |
| C11 | C12 | C13 | H5 | 179.5° | 180.0° |
| C12 | C11 | C16 | H7 | 179.1° | 180.0° |
| C01 | N06 | C05 | C04 | 0.8° | 0.1° |
| C01 | N06 | C05 | C07 | 177.9° | 179.9° |
| C01 | N06 | C07 | H1 | 180.0° | 0.1° |
| C01 | N06 | C07 | H2 | 60.0° | 120.0° |
| C01 | N06 | C07 | H3 | 60.0° | 119.9° |
| C01 | N06 | C05 | H13 | 179.2° | 180.0° |
| C08 | C04 | C05 | N06 | 178.8° | 180.0° |
| C04 | C08 | C09 | C10 | 169.5° | 179.8° |
| C04 | C08 | C09 | H4 | 10.5° | 0.3° |
| C04 | C08 | C13 | H5 | 7.2° | 0.2° |
| C08 | C04 | C03 | H12 | 1.2° | 0.0° |
| C08 | C04 | C05 | H13 | 1.2° | 0.1° |
| C05 | C04 | C08 | C09 | 44.6° | 65.0° |
| C04 | C05 | N06 | H13 | 180.0° | 179.9° |
| C04 | C05 | N06 | C07 | 178.6° | 180.0° |
| C05 | C04 | C03 | H12 | 178.7° | 180.0° |
| C08 | C09 | C10 | C11 | 5.4° | 0.0° |
| C08 | C09 | C10 | H4 | 180.0° | 179.9° |
| C08 | C09 | C10 | N31 | 175.7° | 180.0° |
| C09 | C08 | C13 | H5 | 177.0° | 180.0° |
| C16 | C11 | C10 | C09 | 179.2° | 180.0° |
| C16 | C11 | C10 | N31 | 1.8° | 0.0° |
| C11 | C16 | C15 | H6 | 177.1° | 180.0° |
| C05 | N06 | C07 | H1 | 1.9° | 180.0° |
| C05 | N06 | C07 | H2 | 121.9° | 60.1° |
| C05 | N06 | C07 | H3 | 118.1° | 60.0° |
| N06 | C07 | H1 | H2 | 120.0° | 119.9° |
| N06 | C07 | H1 | H3 | 120.0° | 120.0° |
| N06 | C07 | H2 | H3 | 120.0° | 120.0° |
| C07 | N06 | C05 | H13 | 1.4° | 0.1° |
| C11 | C10 | C09 | N31 | 178.9° | 180.0° |
| C11 | C10 | N31 | S32 | 162.9° | 145.4° |
| C11 | C10 | C09 | H4 | 174.6° | 180.0° |
| C10 | C11 | C16 | H7 | 3.1° | 0.1° |
| C11 | C10 | N31 | H21 | 75.1° | 34.7° |
| C09 | C10 | N31 | S32 | 18.2° | 34.6° |
| C09 | C10 | N31 | H21 | 103.8° | 145.3° |
| C10 | N31 | S32 | H21 | 122.0° | 179.9° |
| C10 | N31 | S32 | O38 | 36.4° | 175.5° |
| C10 | N31 | S32 | C33 | 77.3° | 59.4° |
| C10 | N31 | S32 | O39 | 166.3° | 56.6° |
| N31 | C10 | C09 | H4 | 4.3° | 0.1° |
| N31 | S32 | O38 | C33 | 115.9° | 111.7° |
| N31 | S32 | O38 | O39 | 122.4° | 116.8° |
| N31 | S32 | C33 | O39 | 114.8° | 111.6° |
| N31 | S32 | C33 | C34 | 63.4° | 180.0° |
| N31 | S32 | C33 | H22 | 176.3° | 60.0° |
| N31 | S32 | C33 | H23 | 57.0° | 60.0° |
| O38 | S32 | C33 | O39 | 128.6° | 136.7° |
| O38 | S32 | C33 | C34 | 179.9° | 68.3° |
| O38 | S32 | N31 | H21 | 158.4° | 4.6° |
| O38 | S32 | C33 | H22 | 59.7° | 171.7° |
| O38 | S32 | C33 | H23 | 59.5° | 51.6° |
| S32 | C33 | C34 | F36 | 63.3° | 180.0° |
| S32 | C33 | C34 | H22 | 120.4° | 120.0° |
| S32 | C33 | C34 | H23 | 120.4° | 120.0° |
| S32 | C33 | C34 | F35 | 178.3° | 60.0° |
| S32 | C33 | C34 | F37 | 56.6° | 60.0° |
| C33 | S32 | N31 | H21 | 44.7° | 120.7° |
| S32 | C33 | H22 | H23 | 118.8° | 120.0° |
| O39 | S32 | C33 | C34 | 51.5° | 68.4° |
| O39 | S32 | N31 | H21 | 71.7° | 123.3° |
| O39 | S32 | C33 | H22 | 68.9° | 51.6° |
| O39 | S32 | C33 | H23 | 171.9° | 171.6° |
| F36 | C34 | C33 | F35 | 115.0° | 120.0° |
| F36 | C34 | C33 | F37 | 119.9° | 120.0° |
| F36 | C34 | F35 | F37 | 105.6° | 120.0° |
| F36 | C34 | C33 | H22 | 176.3° | 60.0° |
| F36 | C34 | C33 | H23 | 57.1° | 60.0° |
| C33 | C34 | F35 | F37 | 132.4° | 120.0° |
| C34 | C33 | H22 | H23 | 118.9° | 120.0° |
| F35 | C34 | C33 | H22 | 61.3° | 60.0° |
| F35 | C34 | C33 | H23 | 57.9° | 180.0° |
| F37 | C34 | C33 | H22 | 63.8° | 180.0° |
| F37 | C34 | C33 | H23 | 177.0° | 60.0° |
| H1 | C07 | H2 | H3 | 120.0° | 120.0° |
| H6 | C15 | C16 | H7 | 2.9° | 0.0° |
| H8 | C18 | H9 | H10 | 120.0° | 120.1° |
| H11 | C21 | C22 | H14 | 0.1° | 0.0° |
| H14 | C22 | C23 | H15 | 2.6° | 0.1° |
| H15 | C23 | C24 | H16 | 2.4° | 0.2° |
| H17 | C26 | C27 | H18 | 3.9° | 0.0° |
| H18 | C27 | C28 | H19 | 0.9° | 0.0° |
| H19 | C28 | C29 | H20 | 0.6° | 0.3° |
| H26 | C44 | C45 | H27 | 2.5° | 0.0° |
| H27 | C45 | C46 | H28 | 1.0° | 0.3° |
| H28 | C46 | C47 | H29 | 0.1° | 0.3° |
