ZLK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | S32 | doub | 1.42Å | 1.46Å | |
| C41 | C40 | sing | 1.51Å | 1.57Å | |
| C40 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C40 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| S32 | C35 | sing | 1.76Å | 1.80Å | |
| S32 | N31 | sing | 1.66Å | 1.69Å | |
| S32 | O34 | doub | 1.42Å | 1.46Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| N31 | C29 | sing | 1.35Å | 1.44Å | |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.42Å | Aromatic |
| C29 | C27 | sing | 1.48Å | 1.56Å | |
| C29 | O30 | doub | 1.21Å | 1.17Å | |
| C25 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C28 | doub | 1.40Å | 1.41Å | Aromatic |
| C09 | N08 | sing | 1.46Å | 1.48Å | |
| C07 | N08 | sing | 1.37Å | 1.35Å | Aromatic |
| C07 | C06 | doub | 1.34Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.56Å | |
| C04 | C03 | doub | 1.39Å | 1.45Å | Aromatic |
| N08 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | C11 | sing | 1.46Å | 1.42Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| C10 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.45Å | |
| O16 | C15 | doub | 1.22Å | 1.19Å | |
| N14 | C15 | sing | 1.35Å | 1.47Å | |
| C15 | O17 | sing | 1.35Å | 1.42Å | |
| O17 | C18 | sing | 1.45Å | 1.41Å | |
| C18 | C19 | sing | 1.54Å | 1.66Å | |
| C18 | C22 | sing | 1.54Å | 1.37Å | |
| C19 | C20 | sing | 1.54Å | 1.38Å | |
| C22 | C21 | sing | 1.55Å | 1.61Å | |
| C20 | C21 | sing | 1.55Å | 1.60Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| N14 | H32 | sing | 0.97Å | 1.00Å | |
| N31 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | S32 | C35 | 111.3° | 106.4° |
| O33 | S32 | N31 | 109.2° | 106.4° |
| O33 | S32 | O34 | 103.1° | 123.2° |
| C41 | C40 | C39 | 118.6° | 119.9° |
| C41 | C40 | C35 | 122.0° | 120.0° |
| C40 | C41 | H29 | 109.5° | 109.5° |
| C40 | C41 | H30 | 109.5° | 109.5° |
| C40 | C41 | H31 | 109.5° | 109.5° |
| C39 | C40 | C35 | 119.4° | 120.0° |
| C40 | C39 | C38 | 119.2° | 120.0° |
| C40 | C39 | H28 | 120.4° | 120.0° |
| C40 | C35 | S32 | 120.5° | 120.0° |
| C40 | C35 | C36 | 121.2° | 120.0° |
| C39 | C38 | C37 | 120.9° | 120.0° |
| C39 | C38 | H27 | 119.5° | 120.0° |
| C38 | C39 | H28 | 120.4° | 120.0° |
| C35 | S32 | N31 | 109.0° | 107.2° |
| C35 | S32 | O34 | 114.1° | 106.4° |
| S32 | C35 | C36 | 118.3° | 120.0° |
| N31 | S32 | O34 | 109.9° | 106.4° |
| S32 | N31 | C29 | 119.2° | 120.0° |
| S32 | N31 | H33 | 120.4° | 120.0° |
| C35 | C36 | C37 | 118.9° | 120.0° |
| C35 | C36 | H25 | 120.6° | 120.0° |
| C38 | C37 | C36 | 120.3° | 120.0° |
| C38 | C37 | H26 | 119.8° | 120.0° |
| C37 | C38 | H27 | 119.5° | 120.0° |
| N31 | C29 | C27 | 117.7° | 120.0° |
| N31 | C29 | O30 | 120.8° | 120.0° |
| C29 | N31 | H33 | 120.4° | 120.0° |
| C37 | C36 | H25 | 120.5° | 120.0° |
| C36 | C37 | H26 | 119.8° | 120.0° |
| C25 | C26 | C27 | 119.6° | 119.9° |
| C26 | C25 | C04 | 118.3° | 120.3° |
| C26 | C25 | H22 | 120.9° | 119.9° |
| C25 | C26 | H23 | 120.2° | 120.1° |
| C26 | C27 | C29 | 119.4° | 120.2° |
| C26 | C27 | C28 | 122.0° | 119.8° |
| C27 | C26 | H23 | 120.2° | 120.0° |
| C27 | C29 | O30 | 121.5° | 120.0° |
| C29 | C27 | C28 | 118.4° | 120.1° |
| C25 | C04 | C05 | 115.5° | 119.9° |
| C25 | C04 | C03 | 122.1° | 120.2° |
| C04 | C25 | H22 | 120.8° | 119.9° |
| C27 | C28 | C03 | 119.9° | 119.8° |
| C27 | C28 | H24 | 120.0° | 120.1° |
| C09 | N08 | C07 | 124.3° | 125.0° |
| C09 | N08 | C10 | 125.1° | 125.1° |
| N08 | C09 | H7 | 109.5° | 109.5° |
| N08 | C09 | H8 | 109.5° | 109.5° |
| N08 | C09 | H9 | 109.4° | 109.5° |
| N08 | C07 | C06 | 107.2° | 109.9° |
| C07 | N08 | C10 | 110.6° | 109.9° |
| N08 | C07 | H6 | 126.4° | 125.1° |
| C07 | C06 | C05 | 126.5° | 126.5° |
| C07 | C06 | C11 | 108.5° | 107.0° |
| C06 | C07 | H6 | 126.4° | 125.0° |
| C05 | C04 | C03 | 122.4° | 119.9° |
| C04 | C05 | C06 | 108.3° | 109.5° |
| C04 | C05 | H4 | 109.8° | 109.5° |
| C04 | C05 | H5 | 109.8° | 109.5° |
| C04 | C03 | C28 | 118.0° | 120.0° |
| C04 | C03 | O02 | 122.6° | 120.0° |
| N08 | C10 | C11 | 107.7° | 107.1° |
| N08 | C10 | C24 | 132.2° | 133.3° |
| C28 | C03 | O02 | 119.4° | 120.0° |
| C03 | C28 | H24 | 120.0° | 120.1° |
| C05 | C06 | C11 | 124.9° | 126.5° |
| C06 | C05 | H4 | 109.8° | 109.5° |
| C06 | C05 | H5 | 109.8° | 109.5° |
| C06 | C11 | C10 | 106.0° | 106.1° |
| C06 | C11 | C12 | 133.4° | 133.9° |
| C03 | O02 | C01 | 121.4° | 117.0° |
| C11 | C10 | C24 | 120.1° | 119.6° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C10 | C24 | C23 | 119.3° | 120.0° |
| C10 | C24 | H21 | 120.3° | 120.0° |
| C11 | C12 | C13 | 118.8° | 119.5° |
| C11 | C12 | H10 | 120.6° | 120.2° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C24 | C23 | C13 | 120.1° | 120.6° |
| C24 | C23 | H20 | 119.9° | 119.7° |
| C23 | C24 | H21 | 120.4° | 120.0° |
| C12 | C13 | C23 | 121.0° | 120.3° |
| C12 | C13 | N14 | 121.8° | 119.8° |
| C13 | C12 | H10 | 120.6° | 120.2° |
| C23 | C13 | N14 | 116.9° | 119.9° |
| C13 | C23 | H20 | 120.0° | 119.7° |
| C13 | N14 | C15 | 127.4° | 120.0° |
| C13 | N14 | H32 | 116.3° | 120.0° |
| O16 | C15 | N14 | 121.5° | 120.0° |
| O16 | C15 | O17 | 123.8° | 119.9° |
| N14 | C15 | O17 | 114.7° | 120.0° |
| C15 | N14 | H32 | 116.3° | 120.0° |
| C15 | O17 | C18 | 117.0° | 117.0° |
| O17 | C18 | C19 | 106.1° | 110.0° |
| O17 | C18 | C22 | 110.4° | 110.0° |
| O17 | C18 | H11 | 111.5° | 110.0° |
| C19 | C18 | C22 | 108.1° | 106.6° |
| C18 | C19 | C20 | 104.8° | 106.6° |
| C19 | C18 | H11 | 108.2° | 110.1° |
| C18 | C19 | H12 | 110.6° | 110.0° |
| C18 | C19 | H13 | 110.6° | 110.1° |
| C18 | C22 | C21 | 104.8° | 104.2° |
| C22 | C18 | H11 | 112.2° | 110.1° |
| C18 | C22 | H18 | 110.6° | 110.5° |
| C18 | C22 | H19 | 110.7° | 110.5° |
| C19 | C20 | C21 | 105.4° | 104.2° |
| C20 | C19 | H12 | 110.7° | 110.0° |
| C20 | C19 | H13 | 110.7° | 110.0° |
| C19 | C20 | H14 | 110.5° | 110.4° |
| C19 | C20 | H15 | 110.5° | 110.4° |
| C22 | C21 | C20 | 106.1° | 102.8° |
| C22 | C21 | H16 | 110.3° | 110.8° |
| C22 | C21 | H17 | 110.3° | 110.9° |
| C21 | C22 | H18 | 110.7° | 110.5° |
| C21 | C22 | H19 | 110.6° | 110.5° |
| C21 | C20 | H14 | 110.5° | 110.5° |
| C21 | C20 | H15 | 110.4° | 110.6° |
| C20 | C21 | H16 | 110.3° | 110.7° |
| C20 | C21 | H17 | 110.3° | 110.7° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C05 | H5 | 109.5° | 109.5° |
| H7 | C09 | H8 | 109.5° | 109.4° |
| H7 | C09 | H9 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 110.1° |
| H14 | C20 | H15 | 109.5° | 110.5° |
| H16 | C21 | H17 | 109.5° | 110.7° |
| H18 | C22 | H19 | 109.4° | 110.6° |
| H29 | C41 | H30 | 109.5° | 109.4° |
| H29 | C41 | H31 | 109.5° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | S32 | C35 | C40 | 63.9° | 175.7° |
| O33 | S32 | C35 | N31 | 120.5° | 113.5° |
| O33 | S32 | C35 | O34 | 116.2° | 133.0° |
| O33 | S32 | N31 | O34 | 112.4° | 132.9° |
| O33 | S32 | C35 | C36 | 115.9° | 4.0° |
| O33 | S32 | N31 | C29 | 174.0° | 49.1° |
| O33 | S32 | N31 | H33 | 6.0° | 130.9° |
| C41 | C40 | C39 | C35 | 179.6° | 180.0° |
| C41 | C40 | C39 | C38 | 179.7° | 180.0° |
| C41 | C40 | C35 | S32 | 0.2° | 0.2° |
| C41 | C40 | C35 | C36 | 180.0° | 180.0° |
| C41 | C40 | C39 | H28 | 0.3° | 0.0° |
| C40 | C41 | H29 | H30 | 120.0° | 120.0° |
| C40 | C41 | H29 | H31 | 120.0° | 120.0° |
| C40 | C41 | H30 | H31 | 120.0° | 120.0° |
| C40 | C39 | C38 | H28 | 180.0° | 180.0° |
| C39 | C40 | C35 | S32 | 179.8° | 179.7° |
| C39 | C40 | C35 | C36 | 0.4° | 0.0° |
| C40 | C39 | C38 | C37 | 0.0° | 0.0° |
| C40 | C39 | C38 | H27 | 179.9° | 180.0° |
| C39 | C40 | C41 | H29 | 90.2° | 95.6° |
| C39 | C40 | C41 | H30 | 149.8° | 144.4° |
| C39 | C40 | C41 | H31 | 29.8° | 24.4° |
| C35 | C40 | C39 | C38 | 0.7° | 0.0° |
| C40 | C35 | S32 | C36 | 179.8° | 179.8° |
| C40 | C35 | S32 | N31 | 56.6° | 62.2° |
| C40 | C35 | S32 | O34 | 179.9° | 51.3° |
| C40 | C35 | C36 | C37 | 0.4° | 0.0° |
| C40 | C35 | C36 | H25 | 179.6° | 180.0° |
| C35 | C40 | C39 | H28 | 179.3° | 180.0° |
| C35 | C40 | C41 | H29 | 90.2° | 84.4° |
| C35 | C40 | C41 | H30 | 29.8° | 35.6° |
| C35 | C40 | C41 | H31 | 149.8° | 155.6° |
| C39 | C38 | C37 | H27 | 180.0° | 179.9° |
| C39 | C38 | C37 | C36 | 0.8° | 0.1° |
| C39 | C38 | C37 | H26 | 179.2° | 180.0° |
| C35 | S32 | N31 | O34 | 125.8° | 113.5° |
| C35 | S32 | N31 | C29 | 64.1° | 64.5° |
| S32 | C35 | C36 | C37 | 179.4° | 179.7° |
| S32 | C35 | C36 | H25 | 0.6° | 0.2° |
| C35 | S32 | N31 | H33 | 115.9° | 115.6° |
| N31 | S32 | C35 | C36 | 123.6° | 117.6° |
| S32 | N31 | C29 | H33 | 180.0° | 179.9° |
| S32 | N31 | C29 | C27 | 178.1° | 175.1° |
| S32 | N31 | C29 | O30 | 1.3° | 4.8° |
| O34 | S32 | C35 | C36 | 0.3° | 128.9° |
| O34 | S32 | N31 | C29 | 61.7° | 178.0° |
| O34 | S32 | N31 | H33 | 118.3° | 2.1° |
| C35 | C36 | C37 | C38 | 1.0° | 0.1° |
| C35 | C36 | C37 | H25 | 180.0° | 179.9° |
| C35 | C36 | C37 | H26 | 179.0° | 180.0° |
| C38 | C37 | C36 | H26 | 180.0° | 179.9° |
| C38 | C37 | C36 | H25 | 178.9° | 180.0° |
| C37 | C38 | C39 | H28 | 180.0° | 180.0° |
| N31 | C29 | C27 | C26 | 31.6° | 0.1° |
| N31 | C29 | C27 | O30 | 176.7° | 179.9° |
| N31 | C29 | C27 | C28 | 153.6° | 179.8° |
| C36 | C37 | C38 | H27 | 179.2° | 180.0° |
| C25 | C26 | C27 | H23 | 180.0° | 179.9° |
| C25 | C26 | C27 | C29 | 177.6° | 180.0° |
| C26 | C25 | C04 | H22 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 3.0° | 0.3° |
| C26 | C25 | C04 | C05 | 177.0° | 180.0° |
| C26 | C25 | C04 | C03 | 0.7° | 0.0° |
| C26 | C27 | C29 | C28 | 174.8° | 179.7° |
| C26 | C27 | C29 | O30 | 145.1° | 180.0° |
| C27 | C26 | C25 | C04 | 2.3° | 0.0° |
| C26 | C27 | C28 | C03 | 1.9° | 0.6° |
| C27 | C26 | C25 | H22 | 177.7° | 180.0° |
| C26 | C27 | C28 | H24 | 178.1° | 180.0° |
| C29 | C27 | C28 | C03 | 176.5° | 179.7° |
| C29 | C27 | C26 | H23 | 2.4° | 0.1° |
| C29 | C27 | C28 | H24 | 3.5° | 0.3° |
| C27 | C29 | N31 | H33 | 1.9° | 5.0° |
| O30 | C29 | C27 | C28 | 29.6° | 0.3° |
| O30 | C29 | N31 | H33 | 178.7° | 175.1° |
| C25 | C04 | C05 | C03 | 177.7° | 180.0° |
| C25 | C04 | C03 | C28 | 0.4° | 0.3° |
| C25 | C04 | C05 | C06 | 104.0° | 95.0° |
| C25 | C04 | C03 | O02 | 179.4° | 180.0° |
| C25 | C04 | C05 | H4 | 136.2° | 25.0° |
| C25 | C04 | C05 | H5 | 15.8° | 145.0° |
| C04 | C25 | C26 | H23 | 177.7° | 179.9° |
| C27 | C28 | C03 | C04 | 0.2° | 0.5° |
| C27 | C28 | C03 | H24 | 180.0° | 179.5° |
| C27 | C28 | C03 | O02 | 180.0° | 179.7° |
| C28 | C27 | C26 | H23 | 177.0° | 179.8° |
| C09 | N08 | C07 | C10 | 179.2° | 179.7° |
| C09 | N08 | C07 | C06 | 179.8° | 180.0° |
| C09 | N08 | C10 | C11 | 179.3° | 179.8° |
| C09 | N08 | C10 | C24 | 0.7° | 0.1° |
| C09 | N08 | C07 | H6 | 0.2° | 0.3° |
| N08 | C09 | H7 | H8 | 120.0° | 120.0° |
| N08 | C09 | H7 | H9 | 120.0° | 120.1° |
| N08 | C09 | H8 | H9 | 120.0° | 120.0° |
| N08 | C07 | C06 | H6 | 180.0° | 179.8° |
| N08 | C07 | C06 | C05 | 177.9° | 179.9° |
| N08 | C07 | C06 | C11 | 0.9° | 0.0° |
| C07 | N08 | C10 | C11 | 0.1° | 0.5° |
| C07 | N08 | C10 | C24 | 179.9° | 179.8° |
| C07 | N08 | C09 | H7 | 180.0° | 90.1° |
| C07 | N08 | C09 | H8 | 60.0° | 150.0° |
| C07 | N08 | C09 | H9 | 60.0° | 30.0° |
| C07 | C06 | C05 | C04 | 77.7° | 95.0° |
| C06 | C07 | N08 | C10 | 0.6° | 0.3° |
| C07 | C06 | C05 | C11 | 178.6° | 180.0° |
| C07 | C06 | C11 | C10 | 0.8° | 0.3° |
| C07 | C06 | C11 | C12 | 179.7° | 180.0° |
| C07 | C06 | C05 | H4 | 162.5° | 145.0° |
| C07 | C06 | C05 | H5 | 42.1° | 25.0° |
| C05 | C04 | C03 | C28 | 177.9° | 179.7° |
| C04 | C05 | C06 | H4 | 119.8° | 120.0° |
| C04 | C05 | C06 | H5 | 119.8° | 120.0° |
| C04 | C05 | C06 | C11 | 103.7° | 85.0° |
| C05 | C04 | C03 | O02 | 1.9° | 0.0° |
| C04 | C05 | H4 | H5 | 120.5° | 120.0° |
| C05 | C04 | C25 | H22 | 3.0° | 0.0° |
| C04 | C03 | C28 | O02 | 179.8° | 179.8° |
| C03 | C04 | C05 | C06 | 78.3° | 85.0° |
| C04 | C03 | O02 | C01 | 177.0° | 180.0° |
| C03 | C04 | C05 | H4 | 41.5° | 155.0° |
| C03 | C04 | C05 | H5 | 161.8° | 35.0° |
| C03 | C04 | C25 | H22 | 179.3° | 180.0° |
| C04 | C03 | C28 | H24 | 179.8° | 180.0° |
| N08 | C10 | C11 | C06 | 0.4° | 0.5° |
| N08 | C10 | C11 | C24 | 180.0° | 179.8° |
| N08 | C10 | C11 | C12 | 180.0° | 179.8° |
| N08 | C10 | C24 | C23 | 179.3° | 179.0° |
| C10 | N08 | C07 | H6 | 179.4° | 180.0° |
| C10 | N08 | C09 | H7 | 0.9° | 89.6° |
| C10 | N08 | C09 | H8 | 120.9° | 30.3° |
| C10 | N08 | C09 | H9 | 119.1° | 150.3° |
| N08 | C10 | C24 | H21 | 0.7° | 0.2° |
| C28 | C03 | O02 | C01 | 2.8° | 0.2° |
| C05 | C06 | C11 | C10 | 178.0° | 179.7° |
| C05 | C06 | C11 | C12 | 1.5° | 0.0° |
| C06 | C05 | H4 | H5 | 120.6° | 120.0° |
| C05 | C06 | C07 | H6 | 2.1° | 0.3° |
| C06 | C11 | C10 | C12 | 179.5° | 179.8° |
| C06 | C11 | C10 | C24 | 179.6° | 179.8° |
| C06 | C11 | C12 | C13 | 178.8° | 179.9° |
| C11 | C06 | C05 | H4 | 16.1° | 35.0° |
| C11 | C06 | C05 | H5 | 136.5° | 155.0° |
| C11 | C06 | C07 | H6 | 179.1° | 179.7° |
| C06 | C11 | C12 | H10 | 1.2° | 0.0° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C28 | H24 | 0.0° | 0.2° |
| C11 | C10 | C24 | C23 | 0.7° | 0.7° |
| C10 | C11 | C12 | C13 | 1.8° | 0.4° |
| C10 | C11 | C12 | H10 | 178.2° | 179.7° |
| C11 | C10 | C24 | H21 | 179.3° | 179.9° |
| C24 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C24 | C23 | H21 | 180.0° | 179.2° |
| C10 | C24 | C23 | C13 | 0.4° | 1.0° |
| C10 | C24 | C23 | H20 | 179.6° | 179.7° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C23 | 2.9° | 0.1° |
| C11 | C12 | C13 | N14 | 176.6° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C24 | C23 | C13 | C12 | 2.2° | 0.6° |
| C24 | C23 | C13 | H20 | 180.0° | 179.3° |
| C24 | C23 | C13 | N14 | 176.2° | 179.3° |
| C12 | C13 | C23 | N14 | 174.0° | 179.9° |
| C12 | C13 | N14 | C15 | 24.8° | 33.0° |
| C12 | C13 | C23 | H20 | 177.8° | 180.0° |
| C12 | C13 | N14 | H32 | 155.2° | 147.0° |
| C23 | C13 | N14 | C15 | 161.3° | 147.1° |
| C23 | C13 | C12 | H10 | 177.1° | 180.0° |
| C13 | C23 | C24 | H21 | 179.6° | 179.8° |
| C23 | C13 | N14 | H32 | 18.7° | 32.9° |
| C13 | N14 | C15 | O16 | 1.7° | 5.2° |
| C13 | N14 | C15 | H32 | 180.0° | 180.0° |
| C13 | N14 | C15 | O17 | 179.0° | 174.8° |
| N14 | C13 | C12 | H10 | 3.4° | 0.1° |
| N14 | C13 | C23 | H20 | 3.8° | 0.0° |
| O16 | C15 | N14 | O17 | 179.3° | 180.0° |
| O16 | C15 | O17 | C18 | 18.8° | 0.0° |
| O16 | C15 | N14 | H32 | 178.3° | 174.8° |
| N14 | C15 | O17 | C18 | 161.9° | 180.0° |
| C15 | O17 | C18 | C19 | 102.2° | 150.0° |
| C15 | O17 | C18 | C22 | 140.9° | 92.8° |
| C15 | O17 | C18 | H11 | 15.4° | 28.6° |
| O17 | C15 | N14 | H32 | 1.0° | 5.2° |
| O17 | C18 | C19 | C22 | 118.5° | 119.3° |
| O17 | C18 | C19 | H11 | 119.8° | 121.4° |
| O17 | C18 | C22 | H11 | 125.2° | 121.4° |
| O17 | C18 | C19 | C20 | 83.5° | 119.3° |
| O17 | C18 | C22 | C21 | 93.7° | 142.9° |
| O17 | C18 | C19 | H12 | 157.3° | 121.5° |
| O17 | C18 | C19 | H13 | 35.8° | 0.0° |
| O17 | C18 | C22 | H18 | 25.6° | 24.2° |
| O17 | C18 | C22 | H19 | 147.0° | 98.4° |
| C19 | C18 | C22 | H11 | 119.2° | 119.4° |
| C18 | C19 | C20 | H12 | 119.2° | 119.3° |
| C18 | C19 | C20 | H13 | 119.3° | 119.3° |
| C19 | C18 | C22 | C21 | 21.9° | 23.7° |
| C18 | C19 | C20 | C21 | 29.1° | 23.6° |
| C18 | C19 | H12 | H13 | 122.1° | 121.5° |
| C18 | C19 | C20 | H14 | 148.4° | 142.3° |
| C18 | C19 | C20 | H15 | 90.3° | 95.2° |
| C19 | C18 | C22 | H18 | 141.2° | 95.0° |
| C19 | C18 | C22 | H19 | 97.3° | 142.3° |
| C22 | C18 | C19 | C20 | 35.0° | 0.0° |
| C18 | C22 | C21 | H18 | 119.3° | 118.7° |
| C18 | C22 | C21 | H19 | 119.3° | 118.7° |
| C18 | C22 | C21 | C20 | 5.0° | 38.0° |
| C22 | C18 | C19 | H12 | 84.3° | 119.3° |
| C22 | C18 | C19 | H13 | 154.3° | 119.3° |
| C18 | C22 | C21 | H16 | 114.4° | 80.3° |
| C18 | C22 | C21 | H17 | 124.5° | 156.3° |
| C18 | C22 | H18 | H19 | 122.2° | 122.6° |
| C19 | C20 | C21 | C22 | 17.4° | 38.0° |
| C19 | C20 | C21 | H14 | 119.4° | 118.6° |
| C19 | C20 | C21 | H15 | 119.4° | 118.7° |
| C20 | C19 | C18 | H11 | 156.7° | 119.3° |
| C20 | C19 | H12 | H13 | 122.2° | 121.4° |
| C19 | C20 | H14 | H15 | 121.9° | 122.5° |
| C19 | C20 | C21 | H16 | 136.9° | 80.4° |
| C19 | C20 | C21 | H17 | 102.1° | 156.5° |
| C22 | C21 | C20 | H16 | 119.5° | 118.3° |
| C22 | C21 | C20 | H17 | 119.5° | 118.5° |
| C21 | C22 | C18 | H11 | 141.1° | 95.7° |
| C22 | C21 | C20 | H14 | 136.8° | 156.6° |
| C22 | C21 | C20 | H15 | 102.0° | 80.7° |
| C22 | C21 | H16 | H17 | 121.6° | 123.5° |
| C21 | C22 | H18 | H19 | 122.1° | 122.7° |
| C21 | C20 | C19 | H12 | 90.2° | 95.7° |
| C21 | C20 | C19 | H13 | 148.3° | 142.9° |
| C21 | C20 | H14 | H15 | 121.8° | 122.7° |
| C20 | C21 | H16 | H17 | 121.5° | 123.1° |
| C20 | C21 | C22 | H18 | 124.3° | 80.7° |
| C20 | C21 | C22 | H19 | 114.2° | 156.6° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H7 | C09 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C19 | H12 | 37.4° | 0.1° |
| H11 | C18 | C19 | H13 | 84.0° | 121.4° |
| H11 | C18 | C22 | H18 | 99.6° | 145.6° |
| H11 | C18 | C22 | H19 | 21.9° | 23.0° |
| H12 | C19 | C20 | H14 | 29.2° | 23.0° |
| H12 | C19 | C20 | H15 | 150.5° | 145.6° |
| H13 | C19 | C20 | H14 | 92.3° | 98.4° |
| H13 | C19 | C20 | H15 | 29.0° | 24.2° |
| H14 | C20 | C21 | H16 | 103.8° | 38.2° |
| H14 | C20 | C21 | H17 | 17.3° | 84.9° |
| H15 | C20 | C21 | H16 | 17.5° | 160.9° |
| H15 | C20 | C21 | H17 | 138.5° | 37.8° |
| H16 | C21 | C22 | H18 | 4.8° | 161.0° |
| H16 | C21 | C22 | H19 | 126.3° | 38.3° |
| H17 | C21 | C22 | H18 | 116.2° | 37.6° |
| H17 | C21 | C22 | H19 | 5.2° | 85.0° |
| H20 | C23 | C24 | H21 | 0.4° | 0.4° |
| H22 | C25 | C26 | H23 | 2.3° | 0.1° |
| H25 | C36 | C37 | H26 | 1.0° | 0.1° |
| H26 | C37 | C38 | H27 | 0.8° | 0.1° |
| H27 | C38 | C39 | H28 | 0.1° | 0.1° |
| H29 | C41 | H30 | H31 | 120.0° | 120.0° |
