TKS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C36 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C34 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C30 | C02 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C29 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C09 | C14 | sing | 1.53Å | 1.53Å | |
| C09 | C08 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | CL3 | sing | 1.74Å | 1.79Å | |
| O04 | C03 | sing | 1.45Å | 1.40Å | |
| O04 | C05 | sing | 1.35Å | 1.40Å | |
| N06 | C05 | sing | 1.35Å | 1.44Å | |
| N06 | C07 | sing | 1.46Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C05 | O28 | doub | 1.22Å | 1.19Å | |
| C07 | C15 | sing | 1.51Å | 1.54Å | |
| O27 | C15 | doub | 1.21Å | 1.20Å | |
| C15 | N16 | sing | 1.35Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| O26 | C25 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.55Å | 1.55Å | |
| C23 | C19 | sing | 1.55Å | 1.52Å | |
| C17 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.47Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.46Å | |
| N21 | C20 | sing | 1.34Å | 1.51Å | |
| C20 | O24 | doub | 1.21Å | 1.19Å | |
| C25 | S1 | sing | 1.81Å | 1.81Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C01 | H22 | sing | 1.09Å | 1.10Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H24 | sing | 1.09Å | 1.10Å | |
| C03 | H25 | sing | 1.09Å | 1.10Å | |
| C03 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C09 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| N06 | H36 | sing | 0.97Å | 1.00Å | |
| N16 | H37 | sing | 0.97Å | 1.00Å | |
| N21 | H38 | sing | 0.97Å | 1.00Å | |
| O26 | H39 | sing | 0.97Å | 0.95Å | |
| S1 | H40 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 120.3° | 120.0° |
| C35 | C36 | C30 | 119.7° | 120.0° |
| C36 | C35 | H34 | 119.8° | 120.0° |
| C35 | C36 | H35 | 120.2° | 120.0° |
| C35 | C34 | C32 | 119.9° | 120.0° |
| C35 | C34 | H33 | 120.0° | 120.0° |
| C34 | C35 | H34 | 119.9° | 120.0° |
| C12 | C11 | C10 | 116.5° | 109.5° |
| C11 | C12 | C13 | 117.6° | 109.5° |
| C11 | C12 | H3 | 107.4° | 109.4° |
| C11 | C12 | H4 | 107.4° | 109.5° |
| C12 | C11 | H7 | 107.7° | 109.5° |
| C12 | C11 | H8 | 107.7° | 109.5° |
| C11 | C10 | C09 | 115.7° | 109.5° |
| C11 | C10 | H1 | 107.9° | 109.4° |
| C11 | C10 | H2 | 107.9° | 109.5° |
| C10 | C11 | H7 | 107.7° | 109.4° |
| C10 | C11 | H8 | 107.7° | 109.5° |
| C36 | C30 | C02 | 121.6° | 120.0° |
| C36 | C30 | C31 | 119.6° | 120.0° |
| C30 | C36 | H35 | 120.2° | 119.9° |
| C12 | C13 | C14 | 114.0° | 109.5° |
| C13 | C12 | H3 | 107.4° | 109.5° |
| C13 | C12 | H4 | 107.4° | 109.5° |
| C12 | C13 | H5 | 108.3° | 109.4° |
| C12 | C13 | H6 | 108.3° | 109.5° |
| C34 | C32 | C31 | 119.5° | 120.0° |
| C34 | C32 | CL3 | 120.8° | 120.0° |
| C32 | C34 | H33 | 120.0° | 120.0° |
| C01 | C02 | C30 | 111.4° | 109.5° |
| C01 | C02 | C29 | 109.3° | 109.5° |
| C01 | C02 | C03 | 108.4° | 109.5° |
| C02 | C01 | H22 | 109.5° | 109.5° |
| C02 | C01 | H23 | 109.4° | 109.5° |
| C02 | C01 | H24 | 109.5° | 109.5° |
| C10 | C09 | C14 | 111.9° | 109.4° |
| C10 | C09 | C08 | 107.8° | 109.5° |
| C09 | C10 | H1 | 107.9° | 109.5° |
| C09 | C10 | H2 | 107.9° | 109.5° |
| C10 | C09 | H30 | 109.1° | 109.4° |
| C13 | C14 | C09 | 114.1° | 109.5° |
| C14 | C13 | H5 | 108.3° | 109.5° |
| C14 | C13 | H6 | 108.3° | 109.5° |
| C13 | C14 | H9 | 108.3° | 109.4° |
| C13 | C14 | H10 | 108.3° | 109.5° |
| C02 | C30 | C31 | 118.8° | 120.0° |
| C30 | C02 | C29 | 109.8° | 109.5° |
| C30 | C02 | C03 | 107.4° | 109.5° |
| C30 | C31 | C32 | 120.9° | 119.9° |
| C30 | C31 | H32 | 119.5° | 120.0° |
| C29 | C02 | C03 | 110.5° | 109.5° |
| C02 | C29 | H19 | 109.5° | 109.5° |
| C02 | C29 | H20 | 109.5° | 109.5° |
| C02 | C29 | H21 | 109.5° | 109.5° |
| C02 | C03 | O04 | 105.9° | 109.5° |
| C02 | C03 | H25 | 110.3° | 109.4° |
| C02 | C03 | H26 | 110.4° | 109.5° |
| C14 | C09 | C08 | 109.8° | 109.4° |
| C09 | C14 | H9 | 108.3° | 109.5° |
| C09 | C14 | H10 | 108.3° | 109.5° |
| C14 | C09 | H30 | 109.2° | 109.5° |
| C09 | C08 | C07 | 113.2° | 109.5° |
| C09 | C08 | H28 | 108.5° | 109.5° |
| C09 | C08 | H29 | 108.6° | 109.5° |
| C08 | C09 | H30 | 109.0° | 109.5° |
| C31 | C32 | CL3 | 119.7° | 120.0° |
| C32 | C31 | H32 | 119.5° | 120.1° |
| C03 | O04 | C05 | 116.3° | 117.0° |
| O04 | C03 | H25 | 110.4° | 109.4° |
| O04 | C03 | H26 | 110.3° | 109.5° |
| O04 | C05 | N06 | 116.8° | 120.0° |
| O04 | C05 | O28 | 121.4° | 120.0° |
| C05 | N06 | C07 | 121.4° | 120.0° |
| N06 | C05 | O28 | 121.9° | 120.0° |
| C05 | N06 | H36 | 119.3° | 120.0° |
| N06 | C07 | C08 | 110.7° | 109.5° |
| N06 | C07 | C15 | 106.4° | 109.5° |
| N06 | C07 | H27 | 110.9° | 109.5° |
| C07 | N06 | H36 | 119.3° | 120.0° |
| C08 | C07 | C15 | 109.1° | 109.5° |
| C08 | C07 | H27 | 110.0° | 109.4° |
| C07 | C08 | H28 | 108.5° | 109.4° |
| C07 | C08 | H29 | 108.5° | 109.5° |
| C07 | C15 | O27 | 119.7° | 120.0° |
| C07 | C15 | N16 | 119.2° | 120.0° |
| C15 | C07 | H27 | 109.7° | 109.5° |
| O27 | C15 | N16 | 121.0° | 119.9° |
| C15 | N16 | C17 | 121.4° | 120.0° |
| C15 | N16 | H37 | 119.3° | 120.0° |
| N16 | C17 | C25 | 105.8° | 109.5° |
| N16 | C17 | C18 | 110.4° | 109.5° |
| N16 | C17 | H11 | 110.8° | 109.4° |
| C17 | N16 | H37 | 119.3° | 120.0° |
| O26 | C25 | C17 | 108.7° | 109.5° |
| O26 | C25 | S1 | 108.2° | 109.5° |
| O26 | C25 | H18 | 113.0° | 109.4° |
| C25 | O26 | H39 | 109.5° | 114.1° |
| C22 | C23 | C19 | 105.0° | 101.7° |
| C23 | C22 | N21 | 105.4° | 105.5° |
| C23 | C22 | H14 | 110.5° | 110.4° |
| C23 | C22 | H15 | 110.5° | 110.2° |
| C22 | C23 | H16 | 110.6° | 111.0° |
| C22 | C23 | H17 | 110.6° | 111.0° |
| C23 | C19 | C18 | 111.4° | 110.5° |
| C23 | C19 | C20 | 104.4° | 104.1° |
| C19 | C23 | H16 | 110.6° | 110.9° |
| C19 | C23 | H17 | 110.6° | 111.0° |
| C23 | C19 | H31 | 109.2° | 110.5° |
| C25 | C17 | C18 | 110.1° | 109.5° |
| C17 | C25 | S1 | 108.1° | 109.5° |
| C25 | C17 | H11 | 109.7° | 109.4° |
| C17 | C25 | H18 | 111.0° | 109.4° |
| C17 | C18 | C19 | 112.0° | 109.5° |
| C18 | C17 | H11 | 110.0° | 109.5° |
| C17 | C18 | H12 | 108.8° | 109.5° |
| C17 | C18 | H13 | 108.8° | 109.5° |
| C22 | N21 | C20 | 108.4° | 111.3° |
| N21 | C22 | H14 | 110.5° | 110.2° |
| N21 | C22 | H15 | 110.5° | 110.2° |
| C22 | N21 | H38 | 125.8° | 124.3° |
| C18 | C19 | C20 | 112.4° | 110.5° |
| C19 | C18 | H12 | 108.8° | 109.4° |
| C19 | C18 | H13 | 108.8° | 109.5° |
| C18 | C19 | H31 | 109.2° | 110.5° |
| C19 | C20 | N21 | 108.8° | 110.1° |
| C19 | C20 | O24 | 125.8° | 124.9° |
| C20 | C19 | H31 | 110.1° | 110.5° |
| N21 | C20 | O24 | 125.4° | 124.9° |
| C20 | N21 | H38 | 125.8° | 124.4° |
| S1 | C25 | H18 | 107.7° | 109.5° |
| C25 | S1 | H40 | 102.0° | 103.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H14 | C22 | H15 | 109.5° | 110.2° |
| H16 | C23 | H17 | 109.5° | 110.9° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.4° | 109.5° |
| H22 | C01 | H23 | 109.5° | 109.5° |
| H22 | C01 | H24 | 109.5° | 109.5° |
| H23 | C01 | H24 | 109.5° | 109.5° |
| H25 | C03 | H26 | 109.5° | 109.5° |
| H28 | C08 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H34 | 180.0° | 179.5° |
| C35 | C36 | C30 | H35 | 180.0° | 179.6° |
| C36 | C35 | C34 | C32 | 0.0° | 0.3° |
| C35 | C36 | C30 | C02 | 180.0° | 179.8° |
| C35 | C36 | C30 | C31 | 0.2° | 0.5° |
| C36 | C35 | C34 | H33 | 180.0° | 179.8° |
| C34 | C35 | C36 | C30 | 0.0° | 0.5° |
| C35 | C34 | C32 | H33 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 0.1° | 0.1° |
| C35 | C34 | C32 | CL3 | 179.7° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C12 | C11 | C10 | H7 | 121.0° | 120.0° |
| C12 | C11 | C10 | H8 | 121.0° | 120.1° |
| C11 | C12 | C13 | H3 | 121.2° | 120.0° |
| C11 | C12 | C13 | H4 | 121.2° | 120.0° |
| C12 | C11 | C10 | C09 | 36.0° | 60.0° |
| C11 | C12 | C13 | C14 | 35.9° | 60.0° |
| C12 | C11 | C10 | H1 | 84.9° | 60.0° |
| C12 | C11 | C10 | H2 | 156.9° | 180.0° |
| C11 | C12 | H3 | H4 | 116.3° | 120.0° |
| C11 | C12 | C13 | H5 | 84.8° | 60.1° |
| C11 | C12 | C13 | H6 | 156.5° | 180.0° |
| C12 | C11 | H7 | H8 | 116.8° | 120.0° |
| C10 | C11 | C12 | C13 | 30.4° | 59.9° |
| C11 | C10 | C09 | H1 | 120.9° | 119.9° |
| C11 | C10 | C09 | H2 | 120.9° | 120.0° |
| C11 | C10 | C09 | C14 | 47.1° | 60.0° |
| C11 | C10 | C09 | C08 | 168.0° | 179.9° |
| C11 | C10 | H1 | H2 | 117.2° | 120.0° |
| C10 | C11 | C12 | H3 | 151.5° | 60.1° |
| C10 | C11 | C12 | H4 | 90.8° | 180.0° |
| C10 | C11 | H7 | H8 | 116.8° | 120.0° |
| C11 | C10 | C09 | H30 | 73.8° | 60.0° |
| C36 | C30 | C02 | C01 | 17.7° | 119.7° |
| C36 | C30 | C02 | C31 | 179.8° | 179.7° |
| C36 | C30 | C02 | C29 | 103.6° | 120.3° |
| C36 | C30 | C02 | C03 | 136.2° | 0.2° |
| C36 | C30 | C31 | C32 | 0.3° | 0.2° |
| C36 | C30 | C31 | H32 | 179.7° | 179.8° |
| C30 | C36 | C35 | H34 | 180.0° | 180.0° |
| C12 | C13 | C14 | H5 | 120.6° | 120.0° |
| C12 | C13 | C14 | H6 | 120.7° | 120.0° |
| C12 | C13 | C14 | C09 | 47.7° | 60.0° |
| C13 | C12 | H3 | H4 | 116.3° | 120.0° |
| C12 | C13 | H5 | H6 | 117.9° | 120.0° |
| C13 | C12 | C11 | H7 | 151.4° | 60.0° |
| C13 | C12 | C11 | H8 | 90.7° | 180.0° |
| C12 | C13 | C14 | H9 | 168.3° | 180.0° |
| C12 | C13 | C14 | H10 | 73.0° | 60.0° |
| C34 | C32 | C31 | C30 | 0.3° | 0.0° |
| C34 | C32 | C31 | CL3 | 179.8° | 180.0° |
| C34 | C32 | C31 | H32 | 179.7° | 180.0° |
| C32 | C34 | C35 | H34 | 179.9° | 179.8° |
| C01 | C02 | C30 | C29 | 121.3° | 120.0° |
| C01 | C02 | C30 | C03 | 118.5° | 120.0° |
| C01 | C02 | C30 | C31 | 162.5° | 60.0° |
| C01 | C02 | C29 | C03 | 119.3° | 120.0° |
| C01 | C02 | C03 | O04 | 64.1° | 60.0° |
| C01 | C02 | C29 | H19 | 180.0° | 60.0° |
| C01 | C02 | C29 | H20 | 60.0° | 179.9° |
| C01 | C02 | C29 | H21 | 60.0° | 60.0° |
| C02 | C01 | H22 | H23 | 120.0° | 120.0° |
| C02 | C01 | H22 | H24 | 120.0° | 120.0° |
| C02 | C01 | H23 | H24 | 120.0° | 120.0° |
| C01 | C02 | C03 | H25 | 55.3° | 180.0° |
| C01 | C02 | C03 | H26 | 176.4° | 60.0° |
| C10 | C09 | C14 | C13 | 53.2° | 60.0° |
| C10 | C09 | C14 | C08 | 119.7° | 120.0° |
| C10 | C09 | C14 | H30 | 120.9° | 120.0° |
| C10 | C09 | C08 | H30 | 118.3° | 120.0° |
| C10 | C09 | C08 | C07 | 169.6° | 175.0° |
| C09 | C10 | H1 | H2 | 117.1° | 120.0° |
| C09 | C10 | C11 | H7 | 157.0° | 60.0° |
| C09 | C10 | C11 | H8 | 85.0° | 180.0° |
| C10 | C09 | C14 | H9 | 173.9° | 180.0° |
| C10 | C09 | C14 | H10 | 67.5° | 60.0° |
| C10 | C09 | C08 | H28 | 69.9° | 55.1° |
| C10 | C09 | C08 | H29 | 49.0° | 65.0° |
| C13 | C14 | C09 | H9 | 120.7° | 120.0° |
| C13 | C14 | C09 | H10 | 120.7° | 120.0° |
| C13 | C14 | C09 | C08 | 172.9° | 180.0° |
| C14 | C13 | C12 | H3 | 157.1° | 60.0° |
| C14 | C13 | C12 | H4 | 85.3° | 180.0° |
| C14 | C13 | H5 | H6 | 118.0° | 120.0° |
| C13 | C14 | H9 | H10 | 117.9° | 120.0° |
| C13 | C14 | C09 | H30 | 67.7° | 59.9° |
| C30 | C02 | C29 | C03 | 118.3° | 120.0° |
| C02 | C30 | C31 | C32 | 179.9° | 180.0° |
| C30 | C02 | C03 | O04 | 56.3° | 180.0° |
| C30 | C02 | C29 | H19 | 57.5° | 60.0° |
| C30 | C02 | C29 | H20 | 177.5° | 59.9° |
| C30 | C02 | C29 | H21 | 62.5° | 180.0° |
| C30 | C02 | C01 | H22 | 180.0° | 180.0° |
| C30 | C02 | C01 | H23 | 60.0° | 60.0° |
| C30 | C02 | C01 | H24 | 60.0° | 60.0° |
| C30 | C02 | C03 | H25 | 175.7° | 60.1° |
| C30 | C02 | C03 | H26 | 63.1° | 60.0° |
| C02 | C30 | C31 | H32 | 0.1° | 0.0° |
| C02 | C30 | C36 | H35 | 0.0° | 0.2° |
| C31 | C30 | C02 | C29 | 76.2° | 60.0° |
| C31 | C30 | C02 | C03 | 44.0° | 180.0° |
| C30 | C31 | C32 | H32 | 180.0° | 180.0° |
| C30 | C31 | C32 | CL3 | 179.5° | 180.0° |
| C31 | C30 | C36 | H35 | 179.8° | 179.9° |
| C29 | C02 | C03 | O04 | 176.0° | 60.0° |
| C02 | C29 | H19 | H20 | 120.0° | 120.0° |
| C02 | C29 | H19 | H21 | 120.0° | 120.0° |
| C02 | C29 | H20 | H21 | 120.0° | 120.0° |
| C29 | C02 | C01 | H22 | 58.5° | 60.0° |
| C29 | C02 | C01 | H23 | 178.5° | 180.0° |
| C29 | C02 | C01 | H24 | 61.5° | 60.0° |
| C29 | C02 | C03 | H25 | 64.5° | 60.0° |
| C29 | C02 | C03 | H26 | 56.6° | 180.0° |
| C02 | C03 | O04 | H25 | 119.4° | 119.9° |
| C02 | C03 | O04 | H26 | 119.5° | 120.0° |
| C02 | C03 | O04 | C05 | 164.6° | 179.9° |
| C03 | C02 | C29 | H19 | 60.7° | 180.0° |
| C03 | C02 | C29 | H20 | 59.3° | 60.1° |
| C03 | C02 | C29 | H21 | 179.3° | 60.0° |
| C03 | C02 | C01 | H22 | 62.1° | 60.0° |
| C03 | C02 | C01 | H23 | 57.9° | 60.0° |
| C03 | C02 | C01 | H24 | 177.9° | 180.0° |
| C02 | C03 | H25 | H26 | 121.7° | 120.0° |
| C14 | C09 | C08 | H30 | 119.5° | 120.0° |
| C14 | C09 | C08 | C07 | 68.3° | 65.1° |
| C14 | C09 | C10 | H1 | 73.8° | 60.0° |
| C14 | C09 | C10 | H2 | 168.0° | 180.0° |
| C09 | C14 | C13 | H5 | 73.0° | 60.0° |
| C09 | C14 | C13 | H6 | 168.3° | 180.0° |
| C09 | C14 | H9 | H10 | 117.9° | 120.1° |
| C14 | C09 | C08 | H28 | 52.3° | 175.0° |
| C14 | C09 | C08 | H29 | 171.2° | 54.9° |
| C09 | C08 | C07 | N06 | 70.2° | 64.9° |
| C09 | C08 | C07 | H28 | 120.5° | 119.9° |
| C09 | C08 | C07 | H29 | 120.6° | 120.0° |
| C09 | C08 | C07 | C15 | 173.0° | 175.0° |
| C08 | C09 | C10 | H1 | 47.0° | 60.0° |
| C08 | C09 | C10 | H2 | 71.1° | 60.0° |
| C08 | C09 | C14 | H9 | 66.4° | 60.0° |
| C08 | C09 | C14 | H10 | 52.2° | 60.0° |
| C09 | C08 | C07 | H27 | 52.7° | 55.1° |
| C09 | C08 | H28 | H29 | 118.3° | 120.0° |
| C31 | C32 | C34 | H33 | 179.9° | 179.9° |
| CL3 | C32 | C31 | H32 | 0.5° | 0.0° |
| CL3 | C32 | C34 | H33 | 0.3° | 0.1° |
| C03 | O04 | C05 | N06 | 140.3° | 180.0° |
| C03 | O04 | C05 | O28 | 39.3° | 0.0° |
| O04 | C03 | H25 | H26 | 121.6° | 120.0° |
| O04 | C05 | N06 | O28 | 179.6° | 180.0° |
| O04 | C05 | N06 | C07 | 172.2° | 180.0° |
| C05 | O04 | C03 | H25 | 76.0° | 60.0° |
| C05 | O04 | C03 | H26 | 45.1° | 60.0° |
| O04 | C05 | N06 | H36 | 7.8° | 0.0° |
| C05 | N06 | C07 | H36 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 170.2° | 85.0° |
| C05 | N06 | C07 | C15 | 71.3° | 155.0° |
| C05 | N06 | C07 | H27 | 47.9° | 35.0° |
| N06 | C07 | C08 | C15 | 116.8° | 120.0° |
| N06 | C07 | C08 | H27 | 122.9° | 120.0° |
| C07 | N06 | C05 | O28 | 8.2° | 0.0° |
| N06 | C07 | C15 | H27 | 120.0° | 120.0° |
| N06 | C07 | C15 | O27 | 35.2° | 0.0° |
| N06 | C07 | C15 | N16 | 145.1° | 180.0° |
| N06 | C07 | C08 | H28 | 169.3° | 55.0° |
| N06 | C07 | C08 | H29 | 50.4° | 175.0° |
| C08 | C07 | C15 | H27 | 120.5° | 119.9° |
| C08 | C07 | C15 | O27 | 84.4° | 120.0° |
| C08 | C07 | C15 | N16 | 95.4° | 60.0° |
| C07 | C08 | H28 | H29 | 118.3° | 120.0° |
| C07 | C08 | C09 | H30 | 51.2° | 55.0° |
| C08 | C07 | N06 | H36 | 9.7° | 95.0° |
| O28 | C05 | N06 | H36 | 171.8° | 180.0° |
| C07 | C15 | O27 | N16 | 179.8° | 180.0° |
| C07 | C15 | N16 | C17 | 180.0° | 180.0° |
| C15 | C07 | C08 | H28 | 52.5° | 65.0° |
| C15 | C07 | C08 | H29 | 66.4° | 55.0° |
| C15 | C07 | N06 | H36 | 108.7° | 25.0° |
| C07 | C15 | N16 | H37 | 0.1° | 0.1° |
| O27 | C15 | N16 | C17 | 0.3° | 0.0° |
| O27 | C15 | C07 | H27 | 155.2° | 120.0° |
| O27 | C15 | N16 | H37 | 179.7° | 180.0° |
| C15 | N16 | C17 | H37 | 180.0° | 179.9° |
| C15 | N16 | C17 | C25 | 131.4° | 98.6° |
| C15 | N16 | C17 | C18 | 109.6° | 141.3° |
| C15 | N16 | C17 | H11 | 12.6° | 21.3° |
| N16 | C15 | C07 | H27 | 25.1° | 60.0° |
| N16 | C17 | C25 | O26 | 67.6° | 180.0° |
| N16 | C17 | C25 | C18 | 119.3° | 120.0° |
| N16 | C17 | C25 | H11 | 119.5° | 119.9° |
| N16 | C17 | C18 | H11 | 122.5° | 120.0° |
| N16 | C17 | C18 | C19 | 64.0° | 65.9° |
| N16 | C17 | C25 | S1 | 49.7° | 60.0° |
| N16 | C17 | C18 | H12 | 56.4° | 54.1° |
| N16 | C17 | C18 | H13 | 175.7° | 174.1° |
| N16 | C17 | C25 | H18 | 167.6° | 60.1° |
| O26 | C25 | C17 | S1 | 117.2° | 120.0° |
| O26 | C25 | C17 | H18 | 124.9° | 119.9° |
| O26 | C25 | C17 | C18 | 173.2° | 59.9° |
| O26 | C25 | S1 | H18 | 122.4° | 120.0° |
| O26 | C25 | C17 | H11 | 52.0° | 60.1° |
| O26 | C25 | S1 | H40 | 180.0° | 180.0° |
| C22 | C23 | C19 | H16 | 119.3° | 118.1° |
| C22 | C23 | C19 | H17 | 119.3° | 118.2° |
| C23 | C22 | N21 | H14 | 119.4° | 119.2° |
| C23 | C22 | N21 | H15 | 119.4° | 118.9° |
| C22 | C23 | C19 | C18 | 149.0° | 143.6° |
| C22 | C23 | C19 | C20 | 27.4° | 24.9° |
| C23 | C22 | N21 | C20 | 15.9° | 16.8° |
| C23 | C22 | H14 | H15 | 121.9° | 122.0° |
| C22 | C23 | H16 | H17 | 122.0° | 123.8° |
| C22 | C23 | C19 | H31 | 90.3° | 93.7° |
| C23 | C22 | N21 | H38 | 164.1° | 163.0° |
| C23 | C19 | C18 | C17 | 53.7° | 65.3° |
| C19 | C23 | C22 | N21 | 27.0° | 25.4° |
| C23 | C19 | C18 | C20 | 116.8° | 114.7° |
| C23 | C19 | C18 | H31 | 120.7° | 122.7° |
| C23 | C19 | C20 | H31 | 117.1° | 118.7° |
| C23 | C19 | C20 | N21 | 18.2° | 16.5° |
| C23 | C19 | C20 | O24 | 163.7° | 163.8° |
| C23 | C19 | C18 | H12 | 174.1° | 174.7° |
| C23 | C19 | C18 | H13 | 66.6° | 54.7° |
| C19 | C23 | C22 | H14 | 146.3° | 144.5° |
| C19 | C23 | C22 | H15 | 92.4° | 93.5° |
| C19 | C23 | H16 | H17 | 122.1° | 123.8° |
| C25 | C17 | C18 | H11 | 121.0° | 120.0° |
| C25 | C17 | C18 | C19 | 179.6° | 174.1° |
| C17 | C25 | S1 | H18 | 120.0° | 120.0° |
| C25 | C17 | C18 | H12 | 60.0° | 65.9° |
| C25 | C17 | C18 | H13 | 59.2° | 54.1° |
| C25 | C17 | N16 | H37 | 48.6° | 81.3° |
| C17 | C25 | O26 | H39 | 180.0° | 59.9° |
| C17 | C25 | S1 | H40 | 62.4° | 60.0° |
| C17 | C18 | C19 | H12 | 120.4° | 120.0° |
| C17 | C18 | C19 | H13 | 120.4° | 120.1° |
| C17 | C18 | C19 | C20 | 170.5° | 180.0° |
| C18 | C17 | C25 | S1 | 69.6° | 180.0° |
| C17 | C18 | H12 | H13 | 118.8° | 120.1° |
| C18 | C17 | C25 | H18 | 48.3° | 60.0° |
| C17 | C18 | C19 | H31 | 67.0° | 57.3° |
| C18 | C17 | N16 | H37 | 70.5° | 38.7° |
| C22 | N21 | C20 | C19 | 1.3° | 0.1° |
| C22 | N21 | C20 | H38 | 180.0° | 179.9° |
| C22 | N21 | C20 | O24 | 179.5° | 179.6° |
| N21 | C22 | H14 | H15 | 121.9° | 121.9° |
| N21 | C22 | C23 | H16 | 146.3° | 143.5° |
| N21 | C22 | C23 | H17 | 92.3° | 92.8° |
| C18 | C19 | C20 | H31 | 122.0° | 122.7° |
| C18 | C19 | C20 | N21 | 139.1° | 135.2° |
| C18 | C19 | C20 | O24 | 42.8° | 45.1° |
| C19 | C18 | C17 | H11 | 58.6° | 54.1° |
| C19 | C18 | H12 | H13 | 118.8° | 119.9° |
| C18 | C19 | C23 | H16 | 91.7° | 98.3° |
| C18 | C19 | C23 | H17 | 29.7° | 25.4° |
| C19 | C20 | N21 | O24 | 178.1° | 179.7° |
| C20 | C19 | C18 | H12 | 69.1° | 60.0° |
| C20 | C19 | C18 | H13 | 50.2° | 60.0° |
| C20 | C19 | C23 | H16 | 146.7° | 143.0° |
| C20 | C19 | C23 | H17 | 91.9° | 93.2° |
| C19 | C20 | N21 | H38 | 178.7° | 179.7° |
| C20 | N21 | C22 | H14 | 135.3° | 136.1° |
| C20 | N21 | C22 | H15 | 103.4° | 102.1° |
| N21 | C20 | C19 | H31 | 98.9° | 102.2° |
| O24 | C20 | C19 | H31 | 79.2° | 77.5° |
| O24 | C20 | N21 | H38 | 0.5° | 0.6° |
| S1 | C25 | C17 | H11 | 169.2° | 60.0° |
| S1 | C25 | O26 | H39 | 62.8° | 180.0° |
| H1 | C10 | C11 | H7 | 36.1° | 180.0° |
| H1 | C10 | C11 | H8 | 154.1° | 60.1° |
| H1 | C10 | C09 | H30 | 165.3° | 179.9° |
| H2 | C10 | C11 | H7 | 82.1° | 60.0° |
| H2 | C10 | C11 | H8 | 35.9° | 59.9° |
| H2 | C10 | C09 | H30 | 47.1° | 60.0° |
| H3 | C12 | C13 | H5 | 36.4° | 180.0° |
| H3 | C12 | C13 | H6 | 82.3° | 60.0° |
| H3 | C12 | C11 | H7 | 87.5° | 180.0° |
| H3 | C12 | C11 | H8 | 30.5° | 60.0° |
| H4 | C12 | C13 | H5 | 154.0° | 60.0° |
| H4 | C12 | C13 | H6 | 35.4° | 60.0° |
| H4 | C12 | C11 | H7 | 30.2° | 60.1° |
| H4 | C12 | C11 | H8 | 148.1° | 59.9° |
| H5 | C13 | C14 | H9 | 47.7° | 60.0° |
| H5 | C13 | C14 | H10 | 166.3° | 180.0° |
| H6 | C13 | C14 | H9 | 71.0° | 60.0° |
| H6 | C13 | C14 | H10 | 47.6° | 59.9° |
| H9 | C14 | C09 | H30 | 53.0° | 60.0° |
| H10 | C14 | C09 | H30 | 171.6° | 180.0° |
| H11 | C17 | C18 | H12 | 178.9° | 174.1° |
| H11 | C17 | C18 | H13 | 61.8° | 65.9° |
| H11 | C17 | C25 | H18 | 72.9° | 180.0° |
| H11 | C17 | N16 | H37 | 167.4° | 158.7° |
| H12 | C18 | C19 | H31 | 53.4° | 62.7° |
| H13 | C18 | C19 | H31 | 172.6° | 177.4° |
| H14 | C22 | C23 | H16 | 94.4° | 97.4° |
| H14 | C22 | C23 | H17 | 27.0° | 26.3° |
| H14 | C22 | N21 | H38 | 44.7° | 43.8° |
| H15 | C22 | C23 | H16 | 26.9° | 24.6° |
| H15 | C22 | C23 | H17 | 148.3° | 148.3° |
| H15 | C22 | N21 | H38 | 76.6° | 78.1° |
| H16 | C23 | C19 | H31 | 29.0° | 24.4° |
| H17 | C23 | C19 | H31 | 150.4° | 148.1° |
| H18 | C25 | O26 | H39 | 56.3° | 60.0° |
| H18 | C25 | S1 | H40 | 57.6° | 60.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.0° |
| H22 | C01 | H23 | H24 | 120.0° | 120.0° |
| H27 | C07 | C08 | H28 | 67.8° | 175.0° |
| H27 | C07 | C08 | H29 | 173.3° | 64.9° |
| H27 | C07 | N06 | H36 | 132.1° | 145.0° |
| H28 | C08 | C09 | H30 | 171.8° | 65.0° |
| H29 | C08 | C09 | H30 | 69.3° | 175.0° |
| H33 | C34 | C35 | H34 | 0.0° | 0.4° |
| H34 | C35 | C36 | H35 | 0.0° | 0.4° |
