6ST
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C2 | doub | 1.22Å | 1.21Å | |
| C2 | O1 | sing | 1.35Å | 1.34Å | |
| C2 | C4 | sing | 1.48Å | 1.47Å | |
| C9 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.49Å | |
| CL2 | C24 | sing | 1.74Å | 1.77Å | |
| C10 | N17 | sing | 1.47Å | 1.49Å | |
| C10 | C12 | sing | 1.54Å | 1.56Å | |
| F27 | C26 | sing | 1.35Å | 1.34Å | |
| N17 | C15 | sing | 1.47Å | 1.49Å | |
| C24 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.55Å | 1.58Å | |
| C15 | C18 | sing | 1.55Å | 1.55Å | |
| C15 | C13 | sing | 1.56Å | 1.55Å | |
| C18 | C28 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C34 | sing | 1.38Å | 1.36Å | Aromatic |
| C13 | N39 | sing | 1.48Å | 1.45Å | |
| N39 | C28 | sing | 1.47Å | 1.52Å | |
| N39 | C40 | sing | 1.47Å | 1.51Å | |
| C28 | C38 | sing | 1.50Å | 1.50Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C38 | C32 | doub | 1.39Å | 1.42Å | Aromatic |
| C34 | CL3 | sing | 1.74Å | 1.70Å | |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C41 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | N31 | sing | 1.40Å | 1.39Å | |
| C29 | O30 | doub | 1.21Å | 1.22Å | |
| C29 | N31 | sing | 1.35Å | 1.37Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C36 | H11 | sing | 1.08Å | 1.08Å | |
| C37 | H12 | sing | 1.08Å | 1.08Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| N17 | H19 | sing | 1.01Å | 1.00Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| N31 | H22 | sing | 0.97Å | 1.00Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C2 | O1 | 121.3° | 119.9° |
| O3 | C2 | C4 | 119.0° | 120.1° |
| O1 | C2 | C4 | 119.7° | 120.0° |
| C2 | O1 | H15 | 109.5° | 117.0° |
| C2 | C4 | C9 | 120.3° | 120.2° |
| C2 | C4 | C5 | 119.0° | 120.1° |
| C4 | C9 | C8 | 118.7° | 119.9° |
| C9 | C4 | C5 | 120.6° | 119.7° |
| C4 | C9 | H16 | 120.6° | 120.0° |
| C9 | C8 | C7 | 120.5° | 120.1° |
| C9 | C8 | H3 | 119.7° | 119.9° |
| C8 | C9 | H16 | 120.6° | 120.1° |
| C4 | C5 | C6 | 119.6° | 119.9° |
| C4 | C5 | H1 | 120.2° | 120.1° |
| C8 | C7 | C6 | 120.4° | 120.3° |
| C8 | C7 | C10 | 117.4° | 119.9° |
| C7 | C8 | H3 | 119.7° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C6 | C5 | H1 | 120.2° | 120.0° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C6 | C7 | C10 | 122.2° | 119.9° |
| C7 | C6 | H2 | 120.0° | 119.9° |
| C7 | C10 | N17 | 111.2° | 109.9° |
| C7 | C10 | C12 | 114.8° | 109.9° |
| C7 | C10 | H17 | 109.4° | 109.9° |
| CL2 | C24 | C26 | 119.1° | 120.0° |
| CL2 | C24 | C23 | 121.4° | 120.0° |
| N17 | C10 | C12 | 103.1° | 107.3° |
| C10 | N17 | C15 | 106.2° | 109.2° |
| N17 | C10 | H17 | 109.5° | 110.0° |
| C10 | N17 | H19 | 110.3° | 111.0° |
| C10 | C12 | C13 | 101.8° | 103.6° |
| C10 | C12 | H4 | 111.4° | 110.6° |
| C10 | C12 | H5 | 111.3° | 110.7° |
| C12 | C10 | H17 | 108.6° | 109.8° |
| F27 | C26 | C24 | 117.2° | 120.1° |
| F27 | C26 | C20 | 121.4° | 120.0° |
| N17 | C15 | C18 | 115.1° | 108.9° |
| N17 | C15 | C13 | 106.6° | 105.2° |
| N17 | C15 | H6 | 111.3° | 113.2° |
| C15 | N17 | H19 | 110.3° | 111.0° |
| C26 | C24 | C23 | 119.4° | 120.0° |
| C24 | C26 | C20 | 121.3° | 119.9° |
| C24 | C23 | C22 | 120.6° | 120.0° |
| C24 | C23 | H9 | 119.7° | 120.0° |
| C26 | C20 | C18 | 118.2° | 120.0° |
| C26 | C20 | C21 | 117.9° | 120.0° |
| C23 | C22 | C21 | 119.5° | 120.0° |
| C22 | C23 | H9 | 119.7° | 120.0° |
| C23 | C22 | H21 | 120.2° | 120.0° |
| C18 | C20 | C21 | 123.9° | 120.0° |
| C20 | C18 | C15 | 113.8° | 110.3° |
| C20 | C18 | C28 | 116.2° | 110.3° |
| C20 | C18 | H7 | 107.7° | 110.3° |
| C20 | C21 | C22 | 121.0° | 120.1° |
| C20 | C21 | H8 | 119.5° | 120.0° |
| C12 | C13 | C15 | 105.0° | 102.2° |
| C12 | C13 | N39 | 114.1° | 108.7° |
| C13 | C12 | H4 | 111.4° | 110.6° |
| C13 | C12 | H5 | 111.4° | 110.6° |
| C12 | C13 | H18 | 109.3° | 113.5° |
| C18 | C15 | C13 | 102.7° | 103.1° |
| C15 | C18 | C28 | 103.9° | 105.3° |
| C18 | C15 | H6 | 110.4° | 112.8° |
| C15 | C18 | H7 | 107.4° | 110.2° |
| C15 | C13 | N39 | 107.6° | 103.6° |
| C13 | C15 | H6 | 110.4° | 112.9° |
| C15 | C13 | H18 | 109.6° | 113.7° |
| C18 | C28 | N39 | 99.1° | 107.9° |
| C18 | C28 | C38 | 112.5° | 111.0° |
| C18 | C28 | C29 | 112.8° | 110.9° |
| C28 | C18 | H7 | 107.4° | 110.3° |
| C22 | C21 | H8 | 119.5° | 120.0° |
| C21 | C22 | H21 | 120.3° | 120.0° |
| C36 | C37 | C38 | 120.8° | 120.1° |
| C37 | C36 | C34 | 120.2° | 119.8° |
| C37 | C36 | H11 | 119.9° | 120.1° |
| C36 | C37 | H12 | 119.6° | 120.0° |
| C37 | C38 | C28 | 134.1° | 133.3° |
| C37 | C38 | C32 | 118.7° | 120.6° |
| C38 | C37 | H12 | 119.6° | 119.9° |
| C36 | C34 | CL3 | 120.0° | 119.9° |
| C36 | C34 | C33 | 120.1° | 120.3° |
| C34 | C36 | H11 | 119.9° | 120.1° |
| C13 | N39 | C28 | 106.2° | 106.2° |
| C13 | N39 | C40 | 115.6° | 111.0° |
| N39 | C13 | H18 | 111.0° | 114.1° |
| C28 | N39 | C40 | 111.1° | 111.0° |
| N39 | C28 | C38 | 111.7° | 111.3° |
| N39 | C28 | C29 | 116.6° | 111.0° |
| N39 | C40 | C41 | 110.5° | 109.5° |
| N39 | C40 | H13 | 109.2° | 109.5° |
| N39 | C40 | H14 | 109.2° | 109.5° |
| C38 | C28 | C29 | 104.5° | 104.7° |
| C28 | C38 | C32 | 107.1° | 106.0° |
| C28 | C29 | O30 | 125.3° | 126.5° |
| C28 | C29 | N31 | 106.5° | 106.8° |
| C38 | C32 | C33 | 118.8° | 119.0° |
| C38 | C32 | N31 | 108.8° | 110.2° |
| CL3 | C34 | C33 | 119.9° | 119.9° |
| C34 | C33 | C32 | 121.3° | 120.2° |
| C34 | C33 | H10 | 119.4° | 119.9° |
| C41 | C43 | C42 | 59.4° | 60.0° |
| C43 | C41 | C40 | 117.5° | 117.5° |
| C43 | C41 | C42 | 60.9° | 60.0° |
| C43 | C41 | H24 | 117.7° | 117.5° |
| C41 | C43 | H27 | 120.1° | 117.5° |
| C41 | C43 | H28 | 120.1° | 117.5° |
| C43 | C42 | C41 | 59.7° | 60.0° |
| C43 | C42 | H25 | 120.1° | 117.5° |
| C43 | C42 | H26 | 120.1° | 117.5° |
| C42 | C43 | H27 | 120.1° | 117.4° |
| C42 | C43 | H28 | 120.1° | 117.5° |
| C40 | C41 | C42 | 112.9° | 117.5° |
| C41 | C40 | H13 | 109.2° | 109.5° |
| C41 | C40 | H14 | 109.2° | 109.4° |
| C40 | C41 | H24 | 117.6° | 115.6° |
| C42 | C41 | H24 | 117.8° | 117.5° |
| C41 | C42 | H25 | 120.1° | 117.5° |
| C41 | C42 | H26 | 120.1° | 117.5° |
| C33 | C32 | N31 | 132.3° | 130.8° |
| C32 | C33 | H10 | 119.3° | 119.9° |
| C32 | N31 | C29 | 113.1° | 112.2° |
| C32 | N31 | H22 | 123.4° | 123.9° |
| O30 | C29 | N31 | 128.2° | 126.6° |
| C29 | N31 | H22 | 123.5° | 123.9° |
| H4 | C12 | H5 | 109.5° | 110.5° |
| H13 | C40 | H14 | 109.5° | 109.4° |
| H25 | C42 | H26 | 109.4° | 115.5° |
| H27 | C43 | H28 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C2 | O1 | C4 | 179.7° | 179.6° |
| O3 | C2 | C4 | C9 | 7.8° | 179.4° |
| O3 | C2 | C4 | C5 | 169.0° | 0.3° |
| O3 | C2 | O1 | H15 | 0.0° | 0.4° |
| O1 | C2 | C4 | C9 | 171.9° | 0.2° |
| O1 | C2 | C4 | C5 | 11.3° | 179.9° |
| C2 | C4 | C9 | C5 | 176.8° | 179.8° |
| C2 | C4 | C9 | C8 | 179.2° | 179.7° |
| C2 | C4 | C5 | C6 | 178.3° | 179.9° |
| C2 | C4 | C5 | H1 | 1.7° | 0.0° |
| C4 | C2 | O1 | H15 | 179.7° | 180.0° |
| C2 | C4 | C9 | H16 | 0.8° | 0.0° |
| C4 | C9 | C8 | H16 | 180.0° | 179.7° |
| C4 | C9 | C8 | C7 | 2.3° | 0.6° |
| C9 | C4 | C5 | C6 | 1.5° | 0.3° |
| C9 | C4 | C5 | H1 | 178.4° | 179.8° |
| C4 | C9 | C8 | H3 | 177.7° | 179.7° |
| C8 | C9 | C4 | C5 | 2.5° | 0.6° |
| C9 | C8 | C7 | H3 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 1.2° | 0.3° |
| C9 | C8 | C7 | C10 | 179.9° | 179.8° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C5 | C4 | C9 | H16 | 177.5° | 179.7° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | C10 | 178.8° | 179.9° |
| C8 | C7 | C10 | N17 | 48.5° | 38.5° |
| C8 | C7 | C10 | C12 | 165.0° | 79.4° |
| C8 | C7 | C6 | H2 | 179.8° | 180.0° |
| C7 | C8 | C9 | H16 | 177.7° | 179.7° |
| C8 | C7 | C10 | H17 | 72.6° | 159.7° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C10 | 179.0° | 180.0° |
| C6 | C7 | C10 | N17 | 130.4° | 141.4° |
| C6 | C7 | C10 | C12 | 13.8° | 100.7° |
| C7 | C6 | C5 | H1 | 179.6° | 180.0° |
| C6 | C7 | C8 | H3 | 178.8° | 180.0° |
| C6 | C7 | C10 | H17 | 108.6° | 20.2° |
| C7 | C10 | N17 | C12 | 123.5° | 119.4° |
| C7 | C10 | N17 | H17 | 121.0° | 121.1° |
| C7 | C10 | C12 | H17 | 122.8° | 121.0° |
| C7 | C10 | N17 | C15 | 164.7° | 120.0° |
| C7 | C10 | C12 | C13 | 160.4° | 141.4° |
| C10 | C7 | C6 | H2 | 1.0° | 0.0° |
| C10 | C7 | C8 | H3 | 0.1° | 0.0° |
| C7 | C10 | C12 | H4 | 80.9° | 100.1° |
| C7 | C10 | C12 | H5 | 41.7° | 22.8° |
| C7 | C10 | N17 | H19 | 45.2° | 2.6° |
| CL2 | C24 | C26 | F27 | 2.7° | 0.3° |
| CL2 | C24 | C26 | C23 | 175.9° | 179.7° |
| CL2 | C24 | C26 | C20 | 178.2° | 180.0° |
| CL2 | C24 | C23 | C22 | 179.9° | 180.0° |
| CL2 | C24 | C23 | H9 | 0.1° | 0.0° |
| N17 | C10 | C12 | H17 | 116.1° | 119.6° |
| C10 | N17 | C15 | H19 | 119.5° | 122.7° |
| N17 | C10 | C12 | C13 | 39.3° | 21.9° |
| C10 | N17 | C15 | C18 | 87.3° | 130.9° |
| C10 | N17 | C15 | C13 | 25.8° | 20.9° |
| N17 | C10 | C12 | H4 | 158.0° | 140.5° |
| N17 | C10 | C12 | H5 | 79.4° | 96.6° |
| C10 | N17 | C15 | H6 | 146.2° | 102.8° |
| C12 | C10 | N17 | C15 | 41.2° | 0.6° |
| C10 | C12 | C13 | H4 | 118.8° | 118.5° |
| C10 | C12 | C13 | H5 | 118.7° | 118.7° |
| C10 | C12 | C13 | C15 | 23.6° | 33.4° |
| C10 | C12 | C13 | N39 | 94.0° | 75.8° |
| C10 | C12 | H4 | H5 | 123.6° | 123.0° |
| C10 | C12 | C13 | H18 | 141.1° | 156.2° |
| C12 | C10 | N17 | H19 | 78.3° | 122.0° |
| F27 | C26 | C24 | C20 | 175.5° | 179.7° |
| F27 | C26 | C24 | C23 | 178.5° | 180.0° |
| F27 | C26 | C20 | C18 | 1.3° | 0.3° |
| F27 | C26 | C20 | C21 | 178.6° | 179.7° |
| N17 | C15 | C18 | C20 | 89.9° | 149.7° |
| N17 | C15 | C13 | C12 | 0.3° | 33.7° |
| N17 | C15 | C18 | C13 | 115.3° | 111.4° |
| N17 | C15 | C18 | H6 | 127.0° | 126.6° |
| N17 | C15 | C13 | H6 | 121.0° | 123.9° |
| N17 | C15 | C18 | C28 | 142.7° | 91.3° |
| N17 | C15 | C13 | N39 | 122.2° | 79.3° |
| N17 | C15 | C18 | H7 | 29.1° | 27.6° |
| C15 | N17 | C10 | H17 | 74.3° | 118.8° |
| N17 | C15 | C13 | H18 | 116.9° | 156.3° |
| C26 | C24 | C23 | C22 | 4.4° | 0.3° |
| C24 | C26 | C20 | C18 | 176.7° | 179.9° |
| C24 | C26 | C20 | C21 | 6.0° | 0.1° |
| C26 | C24 | C23 | H9 | 175.6° | 179.7° |
| C23 | C24 | C26 | C20 | 5.9° | 0.3° |
| C24 | C23 | C22 | H9 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 3.1° | 0.0° |
| C24 | C23 | C22 | H21 | 176.9° | 179.9° |
| C26 | C20 | C18 | C21 | 177.1° | 180.0° |
| C26 | C20 | C18 | C15 | 144.0° | 24.9° |
| C26 | C20 | C18 | C28 | 95.3° | 91.0° |
| C26 | C20 | C21 | C22 | 4.7° | 0.2° |
| C26 | C20 | C18 | H7 | 25.1° | 146.9° |
| C26 | C20 | C21 | H8 | 175.3° | 180.0° |
| C23 | C22 | C21 | C20 | 3.3° | 0.3° |
| C23 | C22 | C21 | H21 | 180.0° | 179.9° |
| C23 | C22 | C21 | H8 | 176.7° | 180.0° |
| C20 | C18 | C15 | C28 | 127.4° | 119.0° |
| C20 | C18 | C15 | H7 | 119.1° | 122.1° |
| C20 | C18 | C15 | C13 | 154.7° | 98.9° |
| C20 | C18 | C28 | H7 | 120.5° | 122.2° |
| C18 | C20 | C21 | C22 | 178.2° | 179.8° |
| C20 | C18 | C28 | N39 | 168.6° | 120.8° |
| C20 | C18 | C28 | C38 | 73.3° | 117.1° |
| C20 | C18 | C28 | C29 | 44.6° | 1.0° |
| C20 | C18 | C15 | H6 | 37.1° | 23.1° |
| C18 | C20 | C21 | H8 | 1.8° | 0.0° |
| C21 | C20 | C18 | C15 | 38.9° | 155.1° |
| C21 | C20 | C18 | C28 | 81.8° | 89.0° |
| C20 | C21 | C22 | H8 | 180.0° | 179.7° |
| C21 | C20 | C18 | H7 | 157.8° | 33.1° |
| C20 | C21 | C22 | H21 | 176.7° | 179.8° |
| C12 | C13 | C15 | C18 | 121.0° | 147.8° |
| C12 | C13 | C15 | N39 | 121.9° | 113.0° |
| C12 | C13 | C15 | H18 | 117.2° | 122.6° |
| C12 | C13 | N39 | H18 | 124.0° | 127.7° |
| C12 | C13 | N39 | C28 | 143.0° | 145.1° |
| C12 | C13 | N39 | C40 | 93.3° | 94.2° |
| C13 | C12 | H4 | H5 | 123.6° | 122.8° |
| C12 | C13 | C15 | H6 | 121.3° | 90.2° |
| C13 | C12 | C10 | H17 | 76.8° | 97.6° |
| C18 | C15 | C13 | H6 | 117.7° | 122.0° |
| C15 | C18 | C28 | H7 | 113.6° | 118.9° |
| C18 | C15 | C13 | N39 | 0.9° | 34.9° |
| C15 | C18 | C28 | N39 | 42.7° | 1.8° |
| C15 | C18 | C28 | C38 | 160.9° | 124.0° |
| C15 | C18 | C28 | C29 | 81.2° | 120.0° |
| C18 | C15 | C13 | H18 | 121.7° | 89.5° |
| C18 | C15 | N17 | H19 | 153.2° | 106.4° |
| C13 | C15 | C18 | C28 | 27.4° | 20.0° |
| C15 | C13 | N39 | H18 | 120.0° | 124.2° |
| C15 | C13 | N39 | C28 | 27.0° | 37.0° |
| C15 | C13 | N39 | C40 | 150.7° | 157.7° |
| C15 | C13 | C12 | H4 | 142.4° | 151.9° |
| C15 | C13 | C12 | H5 | 95.1° | 85.3° |
| C13 | C15 | C18 | H7 | 86.2° | 139.0° |
| C13 | C15 | N17 | H19 | 93.7° | 143.6° |
| C18 | C28 | C38 | C37 | 56.9° | 60.2° |
| C18 | C28 | N39 | C13 | 43.0° | 24.5° |
| C18 | C28 | N39 | C38 | 118.8° | 122.0° |
| C18 | C28 | N39 | C29 | 121.2° | 121.7° |
| C18 | C28 | N39 | C40 | 169.5° | 145.2° |
| C18 | C28 | C38 | C29 | 122.7° | 119.8° |
| C18 | C28 | C38 | C32 | 119.3° | 119.8° |
| C18 | C28 | C29 | O30 | 57.9° | 60.1° |
| C18 | C28 | C29 | N31 | 120.1° | 120.0° |
| C28 | C18 | C15 | H6 | 90.3° | 142.1° |
| C21 | C22 | C23 | H9 | 176.9° | 180.0° |
| C36 | C37 | C38 | H12 | 180.0° | 180.0° |
| C37 | C36 | C34 | H11 | 180.0° | 180.0° |
| C36 | C37 | C38 | C28 | 178.0° | 179.9° |
| C36 | C37 | C38 | C32 | 2.1° | 0.1° |
| C37 | C36 | C34 | CL3 | 179.7° | 180.0° |
| C37 | C36 | C34 | C33 | 0.8° | 0.0° |
| C38 | C37 | C36 | C34 | 0.4° | 0.1° |
| C37 | C38 | C28 | N39 | 53.6° | 60.0° |
| C37 | C38 | C28 | C32 | 176.2° | 179.9° |
| C37 | C38 | C28 | C29 | 179.6° | 180.0° |
| C37 | C38 | C32 | C33 | 2.6° | 0.1° |
| C37 | C38 | C32 | N31 | 180.0° | 179.9° |
| C38 | C37 | C36 | H11 | 179.5° | 179.9° |
| C36 | C34 | CL3 | C33 | 179.5° | 179.9° |
| C36 | C34 | C33 | C32 | 0.2° | 0.0° |
| C36 | C34 | C33 | H10 | 179.8° | 179.9° |
| C34 | C36 | C37 | H12 | 179.6° | 179.9° |
| C13 | N39 | C28 | C40 | 126.4° | 120.7° |
| C13 | N39 | C28 | C38 | 161.8° | 146.5° |
| C13 | N39 | C28 | C29 | 78.2° | 97.2° |
| C13 | N39 | C40 | C41 | 86.8° | 164.2° |
| N39 | C13 | C12 | H4 | 24.8° | 42.8° |
| N39 | C13 | C12 | H5 | 147.3° | 165.5° |
| N39 | C13 | C15 | H6 | 116.8° | 156.8° |
| C13 | N39 | C40 | H13 | 33.4° | 44.2° |
| C13 | N39 | C40 | H14 | 153.1° | 75.8° |
| N39 | C28 | C38 | C29 | 126.9° | 120.0° |
| N39 | C28 | C38 | C32 | 130.2° | 120.0° |
| C28 | N39 | C40 | C41 | 152.2° | 78.0° |
| N39 | C28 | C29 | O30 | 55.8° | 59.9° |
| N39 | C28 | C29 | N31 | 126.3° | 120.1° |
| N39 | C28 | C18 | H7 | 70.9° | 117.1° |
| C28 | N39 | C40 | H13 | 87.7° | 162.0° |
| C28 | N39 | C40 | H14 | 32.0° | 42.0° |
| C28 | N39 | C13 | H18 | 93.0° | 87.2° |
| C40 | N39 | C28 | C38 | 71.7° | 92.7° |
| C40 | N39 | C28 | C29 | 48.2° | 23.5° |
| N39 | C40 | C41 | C43 | 82.5° | 117.5° |
| N39 | C40 | C41 | H13 | 120.1° | 120.0° |
| N39 | C40 | C41 | H14 | 120.2° | 120.0° |
| N39 | C40 | C41 | C42 | 150.5° | 173.9° |
| N39 | C40 | H13 | H14 | 119.5° | 120.0° |
| C40 | N39 | C13 | H18 | 30.7° | 33.5° |
| N39 | C40 | C41 | H24 | 67.2° | 28.2° |
| C28 | C38 | C32 | C33 | 179.5° | 179.9° |
| C28 | C38 | C32 | N31 | 3.1° | 0.0° |
| C38 | C28 | C29 | O30 | 179.5° | 179.9° |
| C38 | C28 | C29 | N31 | 2.5° | 0.1° |
| C38 | C28 | C18 | H7 | 47.3° | 5.1° |
| C28 | C38 | C37 | H12 | 2.0° | 0.0° |
| C29 | C28 | C38 | C32 | 3.4° | 0.1° |
| C28 | C29 | N31 | C32 | 0.6° | 0.1° |
| C28 | C29 | O30 | N31 | 177.5° | 180.0° |
| C29 | C28 | C18 | H7 | 165.2° | 121.1° |
| C28 | C29 | N31 | H22 | 179.4° | 179.8° |
| C38 | C32 | C33 | C34 | 1.5° | 0.1° |
| C38 | C32 | C33 | N31 | 176.6° | 179.9° |
| C38 | C32 | N31 | C29 | 1.6° | 0.1° |
| C38 | C32 | C33 | H10 | 178.5° | 180.0° |
| C32 | C38 | C37 | H12 | 177.9° | 179.9° |
| C38 | C32 | N31 | H22 | 178.4° | 179.9° |
| CL3 | C34 | C33 | C32 | 179.7° | 180.0° |
| CL3 | C34 | C33 | H10 | 0.3° | 0.1° |
| CL3 | C34 | C36 | H11 | 0.2° | 0.0° |
| C34 | C33 | C32 | H10 | 180.0° | 179.9° |
| C34 | C33 | C32 | N31 | 178.1° | 180.0° |
| C33 | C34 | C36 | H11 | 179.3° | 180.0° |
| C41 | C43 | C42 | H27 | 109.3° | 107.5° |
| C41 | C43 | C42 | H28 | 109.3° | 107.5° |
| C43 | C41 | C40 | C42 | 68.0° | 68.6° |
| C43 | C41 | C40 | H24 | 149.7° | 145.7° |
| C43 | C41 | C42 | H24 | 108.0° | 107.5° |
| C43 | C41 | C40 | H13 | 157.3° | 122.5° |
| C43 | C41 | C40 | H14 | 37.6° | 2.5° |
| C41 | C43 | C42 | H25 | 109.4° | 107.5° |
| C41 | C43 | C42 | H26 | 109.4° | 107.5° |
| C41 | C43 | H27 | H28 | 145.0° | 145.7° |
| C43 | C42 | H25 | H26 | 144.9° | 145.7° |
| C42 | C43 | H27 | H28 | 145.1° | 145.6° |
| C40 | C41 | C42 | H24 | 142.2° | 145.0° |
| C41 | C40 | H13 | H14 | 119.5° | 120.0° |
| C40 | C41 | C42 | H25 | 0.4° | 145.0° |
| C40 | C41 | C42 | H26 | 140.8° | 0.0° |
| C40 | C41 | C43 | H27 | 7.1° | 0.1° |
| C40 | C41 | C43 | H28 | 148.4° | 145.0° |
| C42 | C41 | C40 | H13 | 89.4° | 53.9° |
| C42 | C41 | C40 | H14 | 30.4° | 66.1° |
| C41 | C42 | H25 | H26 | 144.9° | 145.7° |
| C33 | C32 | N31 | C29 | 178.4° | 179.9° |
| C33 | C32 | N31 | H22 | 1.6° | 0.2° |
| C32 | N31 | C29 | O30 | 178.5° | 179.9° |
| C32 | N31 | C29 | H22 | 180.0° | 180.0° |
| N31 | C32 | C33 | H10 | 1.9° | 0.1° |
| O30 | C29 | N31 | H22 | 1.5° | 0.1° |
| H1 | C5 | C6 | H2 | 0.4° | 0.0° |
| H3 | C8 | C9 | H16 | 2.3° | 0.0° |
| H4 | C12 | C10 | H17 | 42.0° | 20.9° |
| H4 | C12 | C13 | H18 | 100.2° | 85.3° |
| H5 | C12 | C10 | H17 | 164.5° | 143.8° |
| H5 | C12 | C13 | H18 | 22.3° | 37.5° |
| H6 | C15 | C18 | H7 | 156.1° | 99.0° |
| H6 | C15 | C13 | H18 | 4.0° | 32.4° |
| H6 | C15 | N17 | H19 | 26.7° | 19.9° |
| H8 | C21 | C22 | H21 | 3.3° | 0.1° |
| H9 | C23 | C22 | H21 | 3.1° | 0.1° |
| H11 | C36 | C37 | H12 | 0.5° | 0.0° |
| H13 | C40 | C41 | H24 | 52.9° | 91.8° |
| H14 | C40 | C41 | H24 | 172.7° | 148.2° |
| H17 | C10 | N17 | H19 | 166.3° | 118.5° |
| H24 | C41 | C42 | H25 | 142.6° | 0.0° |
| H24 | C41 | C42 | H26 | 1.4° | 145.0° |
| H24 | C41 | C43 | H27 | 142.6° | 145.1° |
| H24 | C41 | C43 | H28 | 1.2° | 0.0° |
| H25 | C42 | C43 | H27 | 0.1° | 145.0° |
| H25 | C42 | C43 | H28 | 141.3° | 0.0° |
| H26 | C42 | C43 | H27 | 141.3° | 0.0° |
| H26 | C42 | C43 | H28 | 0.1° | 145.0° |
