TK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N29 | C28 | doub | 1.32Å | 1.36Å | Aromatic |
| N29 | C30 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.51Å | |
| C27 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| O33 | C24 | doub | 1.22Å | 1.24Å | |
| C25 | C26 | doub | 1.35Å | 1.36Å | |
| C25 | C24 | sing | 1.46Å | 1.52Å | |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | N23 | sing | 1.35Å | 1.44Å | |
| N23 | C22 | sing | 1.47Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.58Å | |
| C46 | C45 | doub | 1.32Å | 1.40Å | Aromatic |
| C46 | S47 | sing | 1.75Å | 1.73Å | Aromatic |
| C21 | C18 | sing | 1.51Å | 1.57Å | |
| C45 | C43 | sing | 1.45Å | 1.47Å | Aromatic |
| S47 | C42 | sing | 1.76Å | 1.75Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C43 | C42 | doub | 1.40Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C42 | C41 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C44 | C39 | doub | 1.36Å | 1.42Å | Aromatic |
| C20 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C41 | C40 | doub | 1.37Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.53Å | |
| C39 | C40 | sing | 1.39Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.51Å | 1.58Å | |
| S34 | C14 | sing | 1.75Å | 1.79Å | Aromatic |
| S34 | C11 | sing | 1.76Å | 1.78Å | Aromatic |
| C14 | C13 | doub | 1.33Å | 1.40Å | Aromatic |
| C38 | N37 | sing | 1.46Å | 1.50Å | |
| C11 | N10 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N10 | C09 | sing | 1.31Å | 1.36Å | Aromatic |
| C13 | C12 | sing | 1.45Å | 1.49Å | Aromatic |
| N37 | C35 | sing | 1.35Å | 1.41Å | |
| C12 | C07 | doub | 1.42Å | 1.46Å | Aromatic |
| C09 | N08 | doub | 1.32Å | 1.38Å | Aromatic |
| O36 | C35 | doub | 1.21Å | 1.25Å | |
| C35 | C02 | sing | 1.51Å | 1.55Å | |
| C07 | N08 | sing | 1.32Å | 1.38Å | Aromatic |
| C07 | N04 | sing | 1.38Å | 1.48Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C01 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C05 | N04 | sing | 1.47Å | 1.51Å | |
| N04 | C03 | sing | 1.47Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.08Å | 1.08Å | |
| C44 | H30 | sing | 1.08Å | 1.08Å | |
| C45 | H31 | sing | 1.08Å | 1.08Å | |
| C46 | H32 | sing | 1.08Å | 1.08Å | |
| N23 | H33 | sing | 0.97Å | 1.00Å | |
| N37 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N29 | C30 | 119.5° | 121.9° |
| N29 | C28 | C27 | 125.0° | 120.5° |
| N29 | C28 | H22 | 117.5° | 119.8° |
| N29 | C30 | C31 | 120.7° | 121.1° |
| N29 | C30 | H23 | 119.7° | 119.5° |
| C28 | C27 | C26 | 122.3° | 120.5° |
| C28 | C27 | C32 | 113.7° | 118.9° |
| C27 | C28 | H22 | 117.5° | 119.8° |
| C30 | C31 | C32 | 118.6° | 119.3° |
| C31 | C30 | H23 | 119.6° | 119.4° |
| C30 | C31 | H24 | 120.7° | 120.3° |
| C26 | C27 | C32 | 124.0° | 120.6° |
| C27 | C26 | C25 | 129.1° | 120.0° |
| C27 | C26 | H21 | 115.5° | 120.0° |
| C27 | C32 | C31 | 122.5° | 118.2° |
| C27 | C32 | H25 | 118.8° | 120.9° |
| O33 | C24 | C25 | 117.9° | 120.0° |
| O33 | C24 | N23 | 116.5° | 120.0° |
| C26 | C25 | C24 | 125.6° | 120.0° |
| C26 | C25 | H20 | 117.2° | 120.0° |
| C25 | C26 | H21 | 115.5° | 120.0° |
| C25 | C24 | N23 | 125.6° | 120.0° |
| C24 | C25 | H20 | 117.2° | 119.9° |
| C32 | C31 | H24 | 120.7° | 120.3° |
| C31 | C32 | H25 | 118.8° | 120.9° |
| C24 | N23 | C22 | 125.2° | 120.0° |
| C24 | N23 | H33 | 117.4° | 120.0° |
| N23 | C22 | C21 | 117.6° | 109.5° |
| N23 | C22 | H18 | 107.4° | 109.5° |
| N23 | C22 | H19 | 107.4° | 109.5° |
| C22 | N23 | H33 | 117.4° | 120.0° |
| C22 | C21 | C18 | 117.9° | 109.5° |
| C22 | C21 | H16 | 107.3° | 109.5° |
| C22 | C21 | H17 | 107.3° | 109.5° |
| C21 | C22 | H18 | 107.4° | 109.4° |
| C21 | C22 | H19 | 107.4° | 109.5° |
| C45 | C46 | S47 | 109.8° | 111.4° |
| C46 | C45 | C43 | 111.9° | 114.9° |
| C46 | C45 | H31 | 124.0° | 122.6° |
| C45 | C46 | H32 | 125.1° | 124.3° |
| C46 | S47 | C42 | 95.3° | 92.2° |
| S47 | C46 | H32 | 125.1° | 124.3° |
| C21 | C18 | C19 | 123.6° | 119.9° |
| C21 | C18 | C17 | 122.7° | 119.8° |
| C18 | C21 | H16 | 107.3° | 109.5° |
| C18 | C21 | H17 | 107.3° | 109.5° |
| C45 | C43 | C42 | 114.7° | 111.8° |
| C45 | C43 | C44 | 127.0° | 129.3° |
| C43 | C45 | H31 | 124.0° | 122.5° |
| S47 | C42 | C43 | 108.4° | 109.7° |
| S47 | C42 | C41 | 129.5° | 130.6° |
| C19 | C18 | C17 | 113.6° | 120.3° |
| C18 | C19 | C20 | 122.8° | 120.2° |
| C18 | C19 | H14 | 118.6° | 119.9° |
| C18 | C17 | C16 | 123.2° | 120.1° |
| C18 | C17 | H13 | 118.4° | 119.9° |
| C42 | C43 | C44 | 118.4° | 118.9° |
| C43 | C42 | C41 | 122.2° | 119.7° |
| C43 | C44 | C39 | 121.9° | 120.4° |
| C43 | C44 | H30 | 119.1° | 119.8° |
| C19 | C20 | C15 | 124.5° | 119.8° |
| C20 | C19 | H14 | 118.6° | 119.9° |
| C19 | C20 | H15 | 117.8° | 120.1° |
| C42 | C41 | C40 | 118.9° | 120.2° |
| C42 | C41 | H29 | 120.5° | 119.9° |
| C17 | C16 | C15 | 124.1° | 119.8° |
| C17 | C16 | H12 | 117.9° | 120.1° |
| C16 | C17 | H13 | 118.4° | 120.0° |
| C44 | C39 | C40 | 117.1° | 120.6° |
| C44 | C39 | C38 | 121.2° | 119.7° |
| C39 | C44 | H30 | 119.1° | 119.8° |
| C20 | C15 | C16 | 111.8° | 119.7° |
| C20 | C15 | C14 | 124.5° | 120.2° |
| C15 | C20 | H15 | 117.8° | 120.1° |
| C16 | C15 | C14 | 123.7° | 120.1° |
| C15 | C16 | H12 | 118.0° | 120.1° |
| C41 | C40 | C39 | 121.5° | 120.2° |
| C41 | C40 | H28 | 119.3° | 120.0° |
| C40 | C41 | H29 | 120.6° | 119.9° |
| C15 | C14 | S34 | 121.6° | 124.4° |
| C15 | C14 | C13 | 134.3° | 124.4° |
| C40 | C39 | C38 | 121.7° | 119.7° |
| C39 | C40 | H28 | 119.2° | 119.9° |
| C39 | C38 | N37 | 116.7° | 109.4° |
| C39 | C38 | H26 | 107.6° | 109.5° |
| C39 | C38 | H27 | 107.6° | 109.4° |
| C14 | S34 | C11 | 96.8° | 92.3° |
| S34 | C14 | C13 | 104.2° | 111.2° |
| S34 | C11 | N10 | 124.5° | 131.2° |
| S34 | C11 | C12 | 109.0° | 109.8° |
| C14 | C13 | C12 | 118.9° | 114.6° |
| C14 | C13 | H11 | 120.5° | 122.7° |
| C38 | N37 | C35 | 128.1° | 120.0° |
| N37 | C38 | H26 | 107.6° | 109.5° |
| N37 | C38 | H27 | 107.7° | 109.5° |
| C38 | N37 | H34 | 116.0° | 120.0° |
| N10 | C11 | C12 | 126.5° | 119.0° |
| C11 | N10 | C09 | 114.3° | 121.1° |
| C11 | C12 | C13 | 111.2° | 112.1° |
| C11 | C12 | C07 | 116.5° | 117.5° |
| N10 | C09 | N08 | 124.6° | 122.2° |
| N10 | C09 | H10 | 117.7° | 118.9° |
| C13 | C12 | C07 | 132.3° | 130.3° |
| C12 | C13 | H11 | 120.6° | 122.7° |
| N37 | C35 | O36 | 116.3° | 120.0° |
| N37 | C35 | C02 | 127.7° | 120.0° |
| C35 | N37 | H34 | 116.0° | 120.0° |
| C12 | C07 | N08 | 117.0° | 119.0° |
| C12 | C07 | N04 | 123.7° | 120.5° |
| C09 | N08 | C07 | 121.1° | 121.1° |
| N08 | C09 | H10 | 117.7° | 118.9° |
| O36 | C35 | C02 | 116.1° | 120.0° |
| C35 | C02 | C01 | 112.2° | 109.5° |
| C35 | C02 | C03 | 113.3° | 109.5° |
| C35 | C02 | H3 | 107.6° | 109.6° |
| N08 | C07 | N04 | 119.3° | 120.5° |
| C07 | N04 | C05 | 118.1° | 111.0° |
| C07 | N04 | C03 | 123.4° | 111.0° |
| C05 | C06 | C01 | 113.3° | 109.2° |
| C06 | C05 | N04 | 114.2° | 109.5° |
| C06 | C05 | H6 | 108.3° | 109.5° |
| C06 | C05 | H7 | 108.3° | 109.5° |
| C05 | C06 | H8 | 108.5° | 109.5° |
| C05 | C06 | H9 | 108.5° | 109.4° |
| C06 | C01 | C02 | 110.0° | 109.2° |
| C06 | C01 | H1 | 109.4° | 109.5° |
| C06 | C01 | H2 | 109.4° | 109.6° |
| C01 | C06 | H8 | 108.5° | 109.5° |
| C01 | C06 | H9 | 108.5° | 109.6° |
| C01 | C02 | C03 | 108.3° | 109.2° |
| C02 | C01 | H1 | 109.3° | 109.5° |
| C02 | C01 | H2 | 109.3° | 109.6° |
| C01 | C02 | H3 | 107.9° | 109.5° |
| C02 | C03 | N04 | 114.3° | 109.6° |
| C03 | C02 | H3 | 107.2° | 109.4° |
| C02 | C03 | H4 | 108.3° | 109.4° |
| C02 | C03 | H5 | 108.3° | 109.4° |
| C05 | N04 | C03 | 108.7° | 111.1° |
| N04 | C05 | H6 | 108.3° | 109.4° |
| N04 | C05 | H7 | 108.3° | 109.5° |
| N04 | C03 | H4 | 108.3° | 109.5° |
| N04 | C03 | H5 | 108.3° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H26 | C38 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | C28 | C27 | H22 | 180.0° | 179.9° |
| C28 | N29 | C30 | C31 | 0.1° | 0.3° |
| N29 | C28 | C27 | C26 | 179.6° | 180.0° |
| N29 | C28 | C27 | C32 | 0.4° | 0.3° |
| C28 | N29 | C30 | H23 | 179.9° | 180.0° |
| C30 | N29 | C28 | C27 | 0.2° | 0.0° |
| N29 | C30 | C31 | H23 | 180.0° | 179.7° |
| N29 | C30 | C31 | C32 | 0.0° | 0.3° |
| C30 | N29 | C28 | H22 | 179.8° | 180.0° |
| N29 | C30 | C31 | H24 | 180.0° | 179.7° |
| C28 | C27 | C26 | C32 | 179.1° | 179.7° |
| C28 | C27 | C26 | C25 | 2.2° | 0.3° |
| C28 | C27 | C32 | C31 | 0.4° | 0.3° |
| C28 | C27 | C26 | H21 | 177.8° | 179.7° |
| C28 | C27 | C32 | H25 | 179.6° | 179.7° |
| C30 | C31 | C32 | C27 | 0.2° | 0.0° |
| C30 | C31 | C32 | H24 | 180.0° | 180.0° |
| C30 | C31 | C32 | H25 | 179.8° | 180.0° |
| C27 | C26 | C25 | H21 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 178.9° | 180.0° |
| C26 | C27 | C32 | C31 | 179.6° | 180.0° |
| C27 | C26 | C25 | H20 | 1.1° | 0.0° |
| C26 | C27 | C28 | H22 | 0.4° | 0.0° |
| C26 | C27 | C32 | H25 | 0.4° | 0.0° |
| C32 | C27 | C26 | C25 | 177.0° | 180.0° |
| C27 | C32 | C31 | H25 | 180.0° | 180.0° |
| C32 | C27 | C26 | H21 | 3.1° | 0.1° |
| C32 | C27 | C28 | H22 | 179.6° | 179.8° |
| C27 | C32 | C31 | H24 | 179.8° | 180.0° |
| O33 | C24 | C25 | C26 | 147.8° | 0.1° |
| O33 | C24 | C25 | N23 | 179.1° | 179.9° |
| O33 | C24 | N23 | C22 | 0.3° | 0.0° |
| O33 | C24 | C25 | H20 | 32.2° | 180.0° |
| O33 | C24 | N23 | H33 | 179.7° | 180.0° |
| C26 | C25 | C24 | H20 | 180.0° | 180.0° |
| C26 | C25 | C24 | N23 | 33.1° | 180.0° |
| C25 | C24 | N23 | C22 | 179.4° | 180.0° |
| C24 | C25 | C26 | H21 | 1.1° | 0.1° |
| C25 | C24 | N23 | H33 | 0.6° | 0.0° |
| C32 | C31 | C30 | H23 | 179.9° | 180.0° |
| C24 | N23 | C22 | H33 | 180.0° | 180.0° |
| C24 | N23 | C22 | C21 | 157.9° | 180.0° |
| C24 | N23 | C22 | H18 | 81.0° | 60.0° |
| C24 | N23 | C22 | H19 | 36.7° | 60.0° |
| N23 | C24 | C25 | H20 | 146.9° | 0.0° |
| N23 | C22 | C21 | H18 | 121.2° | 120.0° |
| N23 | C22 | C21 | H19 | 121.2° | 120.0° |
| N23 | C22 | C21 | C18 | 136.6° | 180.0° |
| N23 | C22 | C21 | H16 | 102.2° | 60.0° |
| N23 | C22 | C21 | H17 | 15.3° | 60.0° |
| N23 | C22 | H18 | H19 | 116.3° | 120.0° |
| C22 | C21 | C18 | H16 | 121.2° | 120.0° |
| C22 | C21 | C18 | H17 | 121.2° | 120.0° |
| C22 | C21 | C18 | C19 | 71.6° | 90.0° |
| C22 | C21 | C18 | C17 | 109.7° | 89.7° |
| C22 | C21 | H16 | H17 | 116.2° | 120.0° |
| C21 | C22 | H18 | H19 | 116.3° | 120.0° |
| C21 | C22 | N23 | H33 | 22.1° | 0.0° |
| C45 | C46 | S47 | H32 | 180.0° | 180.0° |
| C46 | C45 | C43 | H31 | 180.0° | 180.0° |
| C45 | C46 | S47 | C42 | 0.0° | 0.0° |
| C46 | C45 | C43 | C42 | 0.0° | 0.0° |
| C46 | C45 | C43 | C44 | 180.0° | 179.7° |
| S47 | C46 | C45 | C43 | 0.0° | 0.0° |
| C46 | S47 | C42 | C43 | 0.1° | 0.0° |
| C46 | S47 | C42 | C41 | 179.9° | 180.0° |
| S47 | C46 | C45 | H31 | 179.9° | 180.0° |
| C21 | C18 | C19 | C17 | 178.8° | 179.7° |
| C21 | C18 | C19 | C20 | 179.5° | 180.0° |
| C21 | C18 | C17 | C16 | 179.7° | 179.7° |
| C21 | C18 | C17 | H13 | 0.2° | 0.3° |
| C21 | C18 | C19 | H14 | 0.5° | 0.3° |
| C18 | C21 | H16 | H17 | 116.2° | 120.0° |
| C18 | C21 | C22 | H18 | 15.4° | 60.0° |
| C18 | C21 | C22 | H19 | 102.3° | 60.0° |
| C45 | C43 | C42 | S47 | 0.1° | 0.0° |
| C45 | C43 | C42 | C44 | 180.0° | 179.7° |
| C45 | C43 | C42 | C41 | 179.9° | 180.0° |
| C45 | C43 | C44 | C39 | 179.9° | 179.8° |
| C45 | C43 | C44 | H30 | 0.1° | 0.3° |
| C43 | C45 | C46 | H32 | 180.0° | 180.0° |
| S47 | C42 | C43 | C41 | 180.0° | 180.0° |
| S47 | C42 | C43 | C44 | 180.0° | 179.8° |
| S47 | C42 | C41 | C40 | 179.9° | 179.9° |
| S47 | C42 | C41 | H29 | 0.1° | 0.0° |
| C42 | S47 | C46 | H32 | 180.0° | 180.0° |
| C18 | C19 | C20 | H14 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.9° | 0.0° |
| C18 | C19 | C20 | C15 | 0.4° | 0.6° |
| C19 | C18 | C17 | H13 | 179.0° | 180.0° |
| C18 | C19 | C20 | H15 | 179.7° | 180.0° |
| C19 | C18 | C21 | H16 | 167.2° | 150.0° |
| C19 | C18 | C21 | H17 | 49.6° | 30.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.3° |
| C18 | C17 | C16 | H13 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.9° | 0.1° |
| C18 | C17 | C16 | H12 | 179.1° | 180.0° |
| C17 | C18 | C19 | H14 | 179.3° | 180.0° |
| C17 | C18 | C21 | H16 | 11.5° | 30.3° |
| C17 | C18 | C21 | H17 | 129.1° | 150.3° |
| C42 | C43 | C44 | C39 | 0.0° | 0.5° |
| C43 | C42 | C41 | C40 | 0.1° | 0.0° |
| C43 | C42 | C41 | H29 | 179.9° | 180.0° |
| C42 | C43 | C44 | H30 | 180.0° | 180.0° |
| C42 | C43 | C45 | H31 | 180.0° | 180.0° |
| C44 | C43 | C42 | C41 | 0.0° | 0.3° |
| C43 | C44 | C39 | H30 | 180.0° | 179.5° |
| C43 | C44 | C39 | C40 | 0.1° | 0.6° |
| C43 | C44 | C39 | C38 | 180.0° | 179.7° |
| C44 | C43 | C45 | H31 | 0.1° | 0.3° |
| C19 | C20 | C15 | H15 | 180.0° | 179.4° |
| C19 | C20 | C15 | C16 | 0.2° | 0.6° |
| C19 | C20 | C15 | C14 | 179.7° | 179.7° |
| C42 | C41 | C40 | H29 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.2° | 0.0° |
| C42 | C41 | C40 | H28 | 179.8° | 179.9° |
| C17 | C16 | C15 | C20 | 0.5° | 0.4° |
| C17 | C16 | C15 | H12 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 180.0° | 180.0° |
| C44 | C39 | C40 | C41 | 0.2° | 0.3° |
| C44 | C39 | C40 | C38 | 179.8° | 179.7° |
| C44 | C39 | C38 | N37 | 102.7° | 90.3° |
| C44 | C39 | C38 | H26 | 136.2° | 29.7° |
| C44 | C39 | C38 | H27 | 18.3° | 149.7° |
| C44 | C39 | C40 | H28 | 179.8° | 179.8° |
| C20 | C15 | C16 | C14 | 179.5° | 179.7° |
| C20 | C15 | C14 | S34 | 50.0° | 179.7° |
| C20 | C15 | C14 | C13 | 130.2° | 0.3° |
| C20 | C15 | C16 | H12 | 179.5° | 179.8° |
| C15 | C20 | C19 | H14 | 179.6° | 179.7° |
| C16 | C15 | C14 | S34 | 129.5° | 0.1° |
| C16 | C15 | C14 | C13 | 50.3° | 179.9° |
| C15 | C16 | C17 | H13 | 179.1° | 179.9° |
| C16 | C15 | C20 | H15 | 179.8° | 180.0° |
| C41 | C40 | C39 | H28 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 180.0° | 180.0° |
| C15 | C14 | S34 | C13 | 179.8° | 180.0° |
| C15 | C14 | S34 | C11 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 179.7° | 179.9° |
| C15 | C14 | C13 | H11 | 0.3° | 0.0° |
| C14 | C15 | C16 | H12 | 0.0° | 0.1° |
| C14 | C15 | C20 | H15 | 0.3° | 0.3° |
| C40 | C39 | C38 | N37 | 77.4° | 90.0° |
| C40 | C39 | C38 | H26 | 43.6° | 150.0° |
| C40 | C39 | C38 | H27 | 161.5° | 30.0° |
| C39 | C40 | C41 | H29 | 179.8° | 180.0° |
| C40 | C39 | C44 | H30 | 179.9° | 180.0° |
| C39 | C38 | N37 | H26 | 121.1° | 120.0° |
| C39 | C38 | N37 | H27 | 121.1° | 119.9° |
| C39 | C38 | N37 | C35 | 41.4° | 180.0° |
| C39 | C38 | H26 | H27 | 116.7° | 120.0° |
| C38 | C39 | C40 | H28 | 0.0° | 0.1° |
| C38 | C39 | C44 | H30 | 0.1° | 0.3° |
| C39 | C38 | N37 | H34 | 138.6° | 0.0° |
| C14 | S34 | C11 | N10 | 179.9° | 179.4° |
| C14 | S34 | C11 | C12 | 0.1° | 0.0° |
| S34 | C14 | C13 | C12 | 0.1° | 0.0° |
| S34 | C14 | C13 | H11 | 179.9° | 180.0° |
| C11 | S34 | C14 | C13 | 0.1° | 0.0° |
| S34 | C11 | N10 | C12 | 179.9° | 179.4° |
| S34 | C11 | N10 | C09 | 179.9° | 179.9° |
| S34 | C11 | C12 | C13 | 0.0° | 0.0° |
| S34 | C11 | C12 | C07 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | C07 | 180.0° | 180.0° |
| C38 | N37 | C35 | H34 | 180.0° | 179.9° |
| C38 | N37 | C35 | O36 | 0.1° | 0.1° |
| C38 | N37 | C35 | C02 | 179.9° | 180.0° |
| N37 | C38 | H26 | H27 | 116.7° | 120.0° |
| N10 | C11 | C12 | C13 | 179.9° | 179.5° |
| N10 | C11 | C12 | C07 | 0.0° | 0.5° |
| C11 | N10 | C09 | N08 | 0.0° | 0.5° |
| C11 | N10 | C09 | H10 | 179.9° | 179.5° |
| C12 | C11 | N10 | C09 | 0.0° | 0.8° |
| C11 | C12 | C13 | C07 | 179.9° | 180.0° |
| C11 | C12 | C07 | N08 | 0.0° | 0.0° |
| C11 | C12 | C07 | N04 | 180.0° | 179.7° |
| C11 | C12 | C13 | H11 | 179.9° | 180.0° |
| N10 | C09 | N08 | H10 | 180.0° | 180.0° |
| N10 | C09 | N08 | C07 | 0.1° | 0.0° |
| C13 | C12 | C07 | N08 | 179.9° | 180.0° |
| C13 | C12 | C07 | N04 | 0.1° | 0.3° |
| N37 | C35 | O36 | C02 | 180.0° | 180.0° |
| N37 | C35 | C02 | C01 | 41.6° | 60.0° |
| N37 | C35 | C02 | C03 | 164.6° | 179.8° |
| N37 | C35 | C02 | H3 | 77.0° | 60.1° |
| C35 | N37 | C38 | H26 | 79.7° | 60.0° |
| C35 | N37 | C38 | H27 | 162.4° | 60.1° |
| C12 | C07 | N08 | C09 | 0.1° | 0.3° |
| C12 | C07 | N08 | N04 | 180.0° | 179.7° |
| C12 | C07 | N04 | C05 | 13.5° | 56.4° |
| C12 | C07 | N04 | C03 | 128.4° | 179.5° |
| C07 | C12 | C13 | H11 | 0.0° | 0.0° |
| C09 | N08 | C07 | N04 | 179.9° | 179.9° |
| O36 | C35 | C02 | C01 | 138.4° | 120.0° |
| O36 | C35 | C02 | C03 | 15.4° | 0.2° |
| O36 | C35 | C02 | H3 | 103.0° | 119.8° |
| O36 | C35 | N37 | H34 | 179.9° | 180.0° |
| C35 | C02 | C01 | C06 | 69.3° | 177.6° |
| C35 | C02 | C01 | C03 | 125.8° | 119.9° |
| C35 | C02 | C01 | H3 | 118.4° | 120.2° |
| C35 | C02 | C03 | H3 | 118.6° | 120.1° |
| C35 | C02 | C03 | N04 | 66.1° | 179.1° |
| C35 | C02 | C01 | H1 | 50.8° | 62.6° |
| C35 | C02 | C01 | H2 | 170.6° | 57.6° |
| C35 | C02 | C03 | H4 | 54.6° | 59.1° |
| C35 | C02 | C03 | H5 | 173.2° | 60.9° |
| C02 | C35 | N37 | H34 | 0.1° | 0.0° |
| N08 | C07 | N04 | C05 | 166.5° | 124.0° |
| N08 | C07 | N04 | C03 | 51.6° | 0.2° |
| C07 | N08 | C09 | H10 | 179.9° | 180.0° |
| C07 | N04 | C05 | C06 | 97.0° | 174.2° |
| C07 | N04 | C03 | C02 | 90.3° | 174.2° |
| C07 | N04 | C05 | C03 | 147.1° | 124.0° |
| C07 | N04 | C03 | H4 | 30.4° | 65.8° |
| C07 | N04 | C03 | H5 | 149.0° | 54.2° |
| C07 | N04 | C05 | H6 | 142.4° | 54.2° |
| C07 | N04 | C05 | H7 | 23.7° | 65.8° |
| C05 | C06 | C01 | H8 | 120.6° | 120.0° |
| C05 | C06 | C01 | H9 | 120.6° | 119.9° |
| C05 | C06 | C01 | C02 | 55.1° | 57.7° |
| C06 | C05 | N04 | H6 | 120.7° | 120.0° |
| C06 | C05 | N04 | H7 | 120.7° | 120.0° |
| C06 | C05 | N04 | C03 | 50.2° | 61.8° |
| C05 | C06 | C01 | H1 | 175.1° | 177.5° |
| C05 | C06 | C01 | H2 | 65.0° | 62.3° |
| C06 | C05 | H6 | H7 | 117.8° | 120.0° |
| C05 | C06 | H8 | H9 | 118.2° | 120.0° |
| C06 | C01 | C02 | H1 | 120.1° | 119.8° |
| C06 | C01 | C02 | H2 | 120.1° | 120.0° |
| C06 | C01 | C02 | C03 | 56.5° | 57.6° |
| C01 | C06 | C05 | N04 | 52.6° | 59.2° |
| C06 | C01 | H1 | H2 | 119.8° | 120.1° |
| C06 | C01 | C02 | H3 | 172.3° | 62.2° |
| C01 | C06 | C05 | H6 | 68.1° | 179.2° |
| C01 | C06 | C05 | H7 | 173.2° | 60.8° |
| C01 | C06 | H8 | H9 | 118.3° | 120.2° |
| C01 | C02 | C03 | H3 | 116.2° | 119.9° |
| C01 | C02 | C03 | N04 | 59.1° | 59.2° |
| C02 | C01 | H1 | H2 | 119.7° | 120.2° |
| C01 | C02 | C03 | H4 | 179.8° | 60.9° |
| C01 | C02 | C03 | H5 | 61.6° | 179.2° |
| C02 | C01 | C06 | H8 | 65.5° | 62.3° |
| C02 | C01 | C06 | H9 | 175.6° | 177.6° |
| C02 | C03 | N04 | C05 | 54.7° | 61.8° |
| C02 | C03 | N04 | H4 | 120.7° | 120.0° |
| C02 | C03 | N04 | H5 | 120.7° | 120.0° |
| C03 | C02 | C01 | H1 | 176.6° | 177.5° |
| C03 | C02 | C01 | H2 | 63.6° | 62.4° |
| C02 | C03 | H4 | H5 | 117.8° | 119.9° |
| C05 | N04 | C03 | H4 | 175.4° | 58.3° |
| C05 | N04 | C03 | H5 | 66.0° | 178.3° |
| N04 | C05 | H6 | H7 | 117.9° | 119.9° |
| N04 | C05 | C06 | H8 | 68.0° | 60.8° |
| N04 | C05 | C06 | H9 | 173.1° | 179.2° |
| N04 | C03 | C02 | H3 | 175.3° | 60.7° |
| N04 | C03 | H4 | H5 | 117.8° | 120.0° |
| C03 | N04 | C05 | H6 | 70.5° | 178.2° |
| C03 | N04 | C05 | H7 | 170.8° | 58.3° |
| H1 | C01 | C02 | H3 | 67.6° | 57.6° |
| H1 | C01 | C06 | H8 | 54.6° | 57.6° |
| H1 | C01 | C06 | H9 | 64.3° | 62.6° |
| H2 | C01 | C02 | H3 | 52.2° | 177.8° |
| H2 | C01 | C06 | H8 | 174.4° | 177.7° |
| H2 | C01 | C06 | H9 | 55.6° | 57.6° |
| H3 | C02 | C03 | H4 | 64.0° | 179.2° |
| H3 | C02 | C03 | H5 | 54.6° | 59.3° |
| H6 | C05 | C06 | H8 | 171.3° | 59.2° |
| H6 | C05 | C06 | H9 | 52.5° | 60.9° |
| H7 | C05 | C06 | H8 | 52.6° | 179.2° |
| H7 | C05 | C06 | H9 | 66.2° | 59.1° |
| H12 | C16 | C17 | H13 | 0.9° | 0.1° |
| H14 | C19 | C20 | H15 | 0.4° | 0.2° |
| H16 | C21 | C22 | H18 | 136.6° | 180.0° |
| H16 | C21 | C22 | H19 | 19.0° | 60.0° |
| H17 | C21 | C22 | H18 | 105.8° | 60.0° |
| H17 | C21 | C22 | H19 | 136.5° | 180.0° |
| H18 | C22 | N23 | H33 | 99.1° | 120.0° |
| H19 | C22 | N23 | H33 | 143.3° | 120.0° |
| H20 | C25 | C26 | H21 | 178.9° | 180.0° |
| H23 | C30 | C31 | H24 | 0.1° | 0.0° |
| H24 | C31 | C32 | H25 | 0.2° | 0.0° |
| H26 | C38 | N37 | H34 | 100.3° | 119.9° |
| H27 | C38 | N37 | H34 | 17.6° | 120.0° |
| H28 | C40 | C41 | H29 | 0.2° | 0.0° |
| H31 | C45 | C46 | H32 | 0.1° | 0.0° |






