35T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | C6 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | CL2 | sing | 1.74Å | 1.71Å | |
| C16 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.46Å | Aromatic |
| C13 | C6 | doub | 1.38Å | 1.46Å | Aromatic |
| C6 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C29 | sing | 1.53Å | 1.56Å | |
| C22 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C21 | sing | 1.53Å | 1.52Å | |
| C4 | C24 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.50Å | 1.54Å | |
| C21 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | O3 | doub | 1.21Å | 1.34Å | |
| C23 | O2 | sing | 1.34Å | 1.20Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| C5 | N1 | sing | 1.33Å | 1.38Å | |
| N1 | C18 | sing | 1.46Å | 1.46Å | |
| N1 | C29 | sing | 1.46Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C2 | sing | 1.53Å | 1.53Å | |
| C20 | S1 | sing | 1.81Å | 1.77Å | |
| C29 | C7 | sing | 1.51Å | 1.47Å | |
| C7 | C8 | doub | 1.38Å | 1.44Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | CL1 | sing | 1.74Å | 1.69Å | |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| S1 | N2 | sing | 1.66Å | 1.75Å | |
| N2 | C25 | sing | 1.47Å | 1.50Å | |
| N2 | C28 | sing | 1.47Å | 1.48Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| C26 | C27 | sing | 1.55Å | 1.51Å | |
| C27 | C28 | sing | 1.55Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | C3 | sing | 1.53Å | 1.20Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C6 | 118.9° | 120.0° |
| C17 | C16 | CL2 | 118.5° | 120.0° |
| C17 | C16 | C15 | 121.0° | 120.0° |
| C16 | C17 | H1 | 120.6° | 120.0° |
| C17 | C6 | C13 | 119.0° | 120.0° |
| C17 | C6 | C19 | 117.8° | 120.0° |
| C6 | C17 | H1 | 120.5° | 120.0° |
| CL2 | C16 | C15 | 120.5° | 120.0° |
| C16 | C15 | C14 | 122.6° | 120.0° |
| C16 | C15 | H2 | 118.7° | 120.0° |
| C15 | C14 | C13 | 115.6° | 120.1° |
| C14 | C15 | H2 | 118.7° | 120.0° |
| C15 | C14 | H3 | 122.2° | 120.0° |
| C14 | C13 | C6 | 122.9° | 120.0° |
| C13 | C14 | H3 | 122.2° | 120.0° |
| C14 | C13 | H4 | 118.6° | 120.0° |
| C13 | C6 | C19 | 123.2° | 120.0° |
| C6 | C13 | H4 | 118.5° | 119.9° |
| C6 | C19 | C22 | 112.7° | 109.6° |
| C6 | C19 | C29 | 115.5° | 109.6° |
| C6 | C19 | H5 | 106.2° | 109.6° |
| C22 | C19 | C29 | 110.1° | 108.7° |
| C19 | C22 | C4 | 112.4° | 108.4° |
| C22 | C19 | H5 | 106.0° | 109.6° |
| C19 | C22 | H6 | 108.7° | 109.7° |
| C19 | C22 | H7 | 108.7° | 109.7° |
| C19 | C29 | N1 | 110.6° | 110.5° |
| C19 | C29 | C7 | 111.8° | 109.3° |
| C29 | C19 | H5 | 105.7° | 109.7° |
| C19 | C29 | H17 | 105.2° | 109.3° |
| C22 | C4 | C21 | 115.4° | 109.4° |
| C22 | C4 | C24 | 110.3° | 109.4° |
| C22 | C4 | C5 | 113.5° | 109.9° |
| C4 | C22 | H6 | 108.8° | 109.7° |
| C4 | C22 | H7 | 108.7° | 109.7° |
| C21 | C4 | C24 | 108.4° | 109.4° |
| C21 | C4 | C5 | 105.8° | 109.4° |
| C4 | C21 | C23 | 115.2° | 109.5° |
| C4 | C21 | H8 | 108.0° | 109.4° |
| C4 | C21 | H9 | 108.0° | 109.4° |
| C24 | C4 | C5 | 102.4° | 109.3° |
| C4 | C24 | H11 | 109.5° | 109.5° |
| C4 | C24 | H12 | 109.5° | 109.5° |
| C4 | C24 | H13 | 109.5° | 109.5° |
| C4 | C5 | O1 | 117.3° | 118.2° |
| C4 | C5 | N1 | 118.2° | 123.5° |
| C21 | C23 | O3 | 114.6° | 120.0° |
| C21 | C23 | O2 | 124.6° | 120.0° |
| C23 | C21 | H8 | 108.0° | 109.5° |
| C23 | C21 | H9 | 108.0° | 109.5° |
| O3 | C23 | O2 | 120.7° | 120.0° |
| C23 | O2 | H10 | 109.5° | 117.1° |
| O1 | C5 | N1 | 124.5° | 118.3° |
| C5 | N1 | C18 | 118.7° | 118.0° |
| C5 | N1 | C29 | 127.1° | 124.1° |
| C18 | N1 | C29 | 114.2° | 117.9° |
| N1 | C18 | C20 | 109.0° | 109.5° |
| N1 | C18 | C2 | 109.5° | 109.5° |
| N1 | C18 | H14 | 110.2° | 109.5° |
| N1 | C29 | C7 | 116.4° | 109.3° |
| N1 | C29 | H17 | 105.9° | 109.3° |
| C20 | C18 | C2 | 109.5° | 109.4° |
| C18 | C20 | S1 | 113.3° | 109.5° |
| C20 | C18 | H14 | 109.3° | 109.5° |
| C18 | C20 | H15 | 108.5° | 109.5° |
| C18 | C20 | H16 | 108.5° | 109.5° |
| C18 | C2 | C1 | 109.1° | 117.5° |
| C18 | C2 | C3 | 110.6° | 117.5° |
| C2 | C18 | H14 | 109.3° | 109.5° |
| C18 | C2 | H32 | 123.4° | 115.5° |
| C20 | S1 | O4 | 114.4° | 110.5° |
| C20 | S1 | O5 | 106.8° | 110.6° |
| C20 | S1 | N2 | 108.4° | 104.4° |
| S1 | C20 | H15 | 108.5° | 109.4° |
| S1 | C20 | H16 | 108.5° | 109.5° |
| C29 | C7 | C8 | 118.9° | 120.0° |
| C29 | C7 | C12 | 115.0° | 120.0° |
| C7 | C29 | H17 | 106.2° | 109.1° |
| C8 | C7 | C12 | 126.1° | 120.0° |
| C7 | C8 | C9 | 117.7° | 120.0° |
| C7 | C8 | H18 | 121.2° | 120.0° |
| C7 | C12 | C11 | 116.4° | 120.0° |
| C7 | C12 | H21 | 121.8° | 120.0° |
| C8 | C9 | C10 | 115.4° | 120.0° |
| C9 | C8 | H18 | 121.1° | 120.0° |
| C8 | C9 | H19 | 122.3° | 120.0° |
| C9 | C10 | CL1 | 116.5° | 120.0° |
| C9 | C10 | C11 | 127.6° | 120.0° |
| C10 | C9 | H19 | 122.3° | 120.1° |
| CL1 | C10 | C11 | 115.9° | 120.0° |
| C10 | C11 | C12 | 116.9° | 120.0° |
| C10 | C11 | H20 | 121.6° | 120.0° |
| C12 | C11 | H20 | 121.6° | 120.0° |
| C11 | C12 | H21 | 121.8° | 120.0° |
| O4 | S1 | O5 | 117.0° | 121.0° |
| O4 | S1 | N2 | 105.0° | 104.3° |
| O5 | S1 | N2 | 104.5° | 104.3° |
| S1 | N2 | C25 | 113.0° | 125.7° |
| S1 | N2 | C28 | 123.0° | 125.6° |
| C25 | N2 | C28 | 110.0° | 108.7° |
| N2 | C25 | C26 | 107.2° | 107.3° |
| N2 | C25 | H22 | 110.0° | 109.9° |
| N2 | C25 | H23 | 110.0° | 109.8° |
| N2 | C28 | C27 | 105.6° | 104.7° |
| N2 | C28 | H28 | 110.4° | 110.4° |
| N2 | C28 | H29 | 110.4° | 110.3° |
| C25 | C26 | C27 | 105.6° | 102.9° |
| C26 | C25 | H22 | 110.1° | 109.9° |
| C26 | C25 | H23 | 110.0° | 109.9° |
| C25 | C26 | H24 | 110.4° | 110.7° |
| C25 | C26 | H25 | 110.4° | 110.7° |
| C26 | C27 | C28 | 108.6° | 101.5° |
| C27 | C26 | H24 | 110.4° | 110.7° |
| C27 | C26 | H25 | 110.4° | 110.7° |
| C26 | C27 | H26 | 109.7° | 111.0° |
| C26 | C27 | H27 | 109.7° | 111.0° |
| C28 | C27 | H26 | 109.7° | 111.3° |
| C28 | C27 | H27 | 109.7° | 110.9° |
| C27 | C28 | H28 | 110.4° | 110.6° |
| C27 | C28 | H29 | 110.4° | 110.3° |
| C2 | C1 | C3 | 67.7° | 60.0° |
| C1 | C2 | C3 | 44.4° | 60.0° |
| C2 | C1 | H30 | 118.6° | 117.5° |
| C2 | C1 | H31 | 118.6° | 117.5° |
| C1 | C2 | H32 | 122.1° | 117.5° |
| C1 | C3 | C2 | 67.9° | 60.0° |
| C3 | C1 | H30 | 118.7° | 117.5° |
| C3 | C1 | H31 | 118.6° | 117.5° |
| C1 | C3 | H33 | 118.6° | 117.5° |
| C1 | C3 | H34 | 118.6° | 117.5° |
| C3 | C2 | H32 | 122.1° | 117.5° |
| C2 | C3 | H33 | 118.6° | 117.5° |
| C2 | C3 | H34 | 118.6° | 117.6° |
| H6 | C22 | H7 | 109.5° | 109.7° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H11 | C24 | H13 | 109.5° | 109.4° |
| H12 | C24 | H13 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 110.0° |
| H24 | C26 | H25 | 109.5° | 110.8° |
| H26 | C27 | H27 | 109.5° | 110.9° |
| H28 | C28 | H29 | 109.5° | 110.4° |
| H30 | C1 | H31 | 109.5° | 115.6° |
| H33 | C3 | H34 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C6 | H1 | 180.0° | 179.7° |
| C17 | C16 | CL2 | C15 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C6 | C13 | 0.2° | 0.0° |
| C16 | C17 | C6 | C19 | 178.1° | 180.0° |
| C17 | C16 | C15 | H2 | 179.8° | 180.0° |
| C6 | C17 | C16 | CL2 | 179.9° | 180.0° |
| C6 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C6 | C13 | C14 | 0.2° | 0.0° |
| C17 | C6 | C13 | C19 | 178.2° | 180.0° |
| C17 | C6 | C19 | C22 | 132.6° | 120.0° |
| C17 | C6 | C19 | C29 | 99.8° | 120.8° |
| C17 | C6 | C13 | H4 | 179.8° | 180.0° |
| C17 | C6 | C19 | H5 | 16.9° | 0.3° |
| CL2 | C16 | C15 | C14 | 180.0° | 180.0° |
| CL2 | C16 | C17 | H1 | 0.1° | 0.3° |
| CL2 | C16 | C15 | H2 | 0.1° | 0.0° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | H1 | 179.8° | 179.7° |
| C16 | C15 | C14 | H3 | 179.9° | 180.0° |
| C15 | C14 | C13 | H3 | 180.0° | 180.0° |
| C15 | C14 | C13 | C6 | 0.1° | 0.0° |
| C15 | C14 | C13 | H4 | 179.9° | 179.9° |
| C14 | C13 | C6 | H4 | 180.0° | 180.0° |
| C14 | C13 | C6 | C19 | 178.0° | 180.0° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C13 | C6 | C19 | C22 | 49.2° | 60.0° |
| C13 | C6 | C19 | C29 | 78.5° | 59.2° |
| C13 | C6 | C17 | H1 | 179.8° | 179.7° |
| C6 | C13 | C14 | H3 | 179.9° | 180.0° |
| C13 | C6 | C19 | H5 | 164.8° | 179.6° |
| C6 | C19 | C22 | C29 | 130.4° | 119.7° |
| C6 | C19 | C22 | H5 | 115.8° | 120.3° |
| C6 | C19 | C29 | H5 | 117.0° | 120.4° |
| C6 | C19 | C22 | C4 | 167.4° | 172.7° |
| C6 | C19 | C29 | N1 | 172.1° | 170.5° |
| C6 | C19 | C29 | C7 | 56.6° | 69.2° |
| C19 | C6 | C17 | H1 | 1.9° | 0.3° |
| C19 | C6 | C13 | H4 | 1.9° | 0.1° |
| C6 | C19 | C22 | H6 | 46.9° | 53.0° |
| C6 | C19 | C22 | H7 | 72.2° | 67.6° |
| C6 | C19 | C29 | H17 | 58.2° | 50.2° |
| C22 | C19 | C29 | H5 | 114.0° | 119.9° |
| C19 | C22 | C4 | H6 | 120.4° | 119.7° |
| C19 | C22 | C4 | H7 | 120.4° | 119.8° |
| C19 | C22 | C4 | C21 | 81.3° | 71.2° |
| C19 | C22 | C4 | C24 | 155.4° | 168.9° |
| C19 | C22 | C4 | C5 | 41.1° | 48.9° |
| C22 | C19 | C29 | N1 | 43.1° | 50.8° |
| C22 | C19 | C29 | C7 | 174.4° | 171.1° |
| C19 | C22 | H6 | H7 | 118.7° | 120.6° |
| C22 | C19 | C29 | H17 | 70.8° | 69.5° |
| C29 | C19 | C22 | C4 | 62.2° | 67.6° |
| C19 | C29 | N1 | C5 | 5.1° | 19.1° |
| C19 | C29 | N1 | C18 | 176.0° | 160.9° |
| C19 | C29 | N1 | C7 | 128.9° | 120.3° |
| C19 | C29 | N1 | H17 | 113.4° | 120.3° |
| C19 | C29 | C7 | H17 | 114.2° | 119.5° |
| C19 | C29 | C7 | C8 | 67.2° | 100.0° |
| C19 | C29 | C7 | C12 | 111.0° | 79.7° |
| C29 | C19 | C22 | H6 | 177.3° | 172.7° |
| C29 | C19 | C22 | H7 | 58.2° | 52.2° |
| C22 | C4 | C21 | C24 | 124.3° | 119.8° |
| C22 | C4 | C21 | C5 | 126.4° | 120.4° |
| C22 | C4 | C24 | C5 | 121.2° | 120.4° |
| C22 | C4 | C21 | C23 | 66.0° | 180.0° |
| C22 | C4 | C5 | O1 | 176.9° | 162.4° |
| C22 | C4 | C5 | N1 | 2.7° | 17.6° |
| C4 | C22 | C19 | H5 | 51.6° | 52.4° |
| C4 | C22 | H6 | H7 | 118.7° | 120.5° |
| C22 | C4 | C21 | H8 | 173.1° | 60.0° |
| C22 | C4 | C21 | H9 | 54.8° | 60.0° |
| C22 | C4 | C24 | H11 | 180.0° | 60.0° |
| C22 | C4 | C24 | H12 | 60.0° | 180.0° |
| C22 | C4 | C24 | H13 | 60.0° | 60.0° |
| C21 | C4 | C24 | C5 | 111.6° | 119.8° |
| C4 | C21 | C23 | H8 | 120.8° | 120.0° |
| C4 | C21 | C23 | H9 | 120.8° | 120.0° |
| C4 | C21 | C23 | O3 | 76.4° | 0.0° |
| C4 | C21 | C23 | O2 | 104.0° | 180.0° |
| C21 | C4 | C5 | O1 | 55.5° | 77.4° |
| C21 | C4 | C5 | N1 | 124.9° | 102.6° |
| C21 | C4 | C22 | H6 | 39.1° | 48.5° |
| C21 | C4 | C22 | H7 | 158.3° | 169.0° |
| C4 | C21 | H8 | H9 | 117.4° | 120.0° |
| C21 | C4 | C24 | H11 | 52.7° | 179.8° |
| C21 | C4 | C24 | H12 | 67.3° | 60.2° |
| C21 | C4 | C24 | H13 | 172.7° | 59.8° |
| C24 | C4 | C21 | C23 | 58.3° | 60.2° |
| C24 | C4 | C5 | O1 | 58.0° | 42.3° |
| C24 | C4 | C5 | N1 | 121.6° | 137.7° |
| C24 | C4 | C22 | H6 | 84.2° | 71.3° |
| C24 | C4 | C22 | H7 | 35.0° | 49.2° |
| C24 | C4 | C21 | H8 | 62.5° | 179.8° |
| C24 | C4 | C21 | H9 | 179.1° | 59.8° |
| C4 | C24 | H11 | H12 | 120.0° | 120.0° |
| C4 | C24 | H11 | H13 | 120.0° | 120.0° |
| C4 | C24 | H12 | H13 | 120.0° | 120.0° |
| C5 | C4 | C21 | C23 | 167.5° | 59.6° |
| C4 | C5 | O1 | N1 | 179.5° | 180.0° |
| C4 | C5 | N1 | C18 | 162.8° | 177.7° |
| C4 | C5 | N1 | C29 | 16.0° | 2.2° |
| C5 | C4 | C22 | H6 | 161.6° | 168.7° |
| C5 | C4 | C22 | H7 | 79.3° | 70.8° |
| C5 | C4 | C21 | H8 | 46.7° | 60.4° |
| C5 | C4 | C21 | H9 | 71.6° | 179.6° |
| C5 | C4 | C24 | H11 | 58.9° | 60.4° |
| C5 | C4 | C24 | H12 | 178.9° | 59.6° |
| C5 | C4 | C24 | H13 | 61.1° | 179.6° |
| C21 | C23 | O3 | O2 | 179.6° | 180.0° |
| C23 | C21 | H8 | H9 | 117.4° | 120.0° |
| C21 | C23 | O2 | H10 | 179.6° | 180.0° |
| O3 | C23 | C21 | H8 | 162.8° | 120.0° |
| O3 | C23 | C21 | H9 | 44.4° | 120.0° |
| O3 | C23 | O2 | H10 | 0.0° | 0.0° |
| O2 | C23 | C21 | H8 | 16.8° | 60.0° |
| O2 | C23 | C21 | H9 | 135.2° | 60.0° |
| O1 | C5 | N1 | C18 | 16.7° | 2.2° |
| O1 | C5 | N1 | C29 | 164.5° | 177.8° |
| C5 | N1 | C18 | C29 | 179.0° | 180.0° |
| C5 | N1 | C18 | C20 | 54.8° | 60.0° |
| C5 | N1 | C18 | C2 | 65.0° | 60.0° |
| C5 | N1 | C29 | C7 | 134.0° | 139.4° |
| C5 | N1 | C18 | H14 | 174.8° | 180.0° |
| C5 | N1 | C29 | H17 | 108.3° | 101.2° |
| N1 | C18 | C20 | C2 | 119.8° | 120.0° |
| N1 | C18 | C20 | H14 | 120.5° | 120.0° |
| N1 | C18 | C2 | H14 | 120.8° | 120.0° |
| N1 | C18 | C20 | S1 | 73.5° | 65.0° |
| C18 | N1 | C29 | C7 | 47.1° | 40.6° |
| N1 | C18 | C2 | C1 | 175.2° | 180.0° |
| N1 | C18 | C2 | C3 | 127.9° | 111.4° |
| N1 | C18 | C20 | H15 | 166.0° | 175.0° |
| N1 | C18 | C20 | H16 | 47.1° | 55.0° |
| C18 | N1 | C29 | H17 | 70.6° | 78.8° |
| N1 | C18 | C2 | H32 | 30.4° | 34.3° |
| C29 | N1 | C18 | C20 | 124.2° | 120.0° |
| C29 | N1 | C18 | C2 | 116.0° | 120.0° |
| N1 | C29 | C7 | H17 | 117.5° | 119.5° |
| N1 | C29 | C7 | C8 | 61.1° | 139.0° |
| N1 | C29 | C7 | C12 | 120.7° | 41.3° |
| N1 | C29 | C19 | H5 | 70.9° | 69.1° |
| C29 | N1 | C18 | H14 | 4.2° | 0.0° |
| C20 | C18 | C2 | H14 | 119.7° | 120.0° |
| C18 | C20 | S1 | H15 | 120.6° | 120.0° |
| C18 | C20 | S1 | H16 | 120.6° | 120.0° |
| C18 | C20 | S1 | O4 | 56.0° | 68.4° |
| C18 | C20 | S1 | O5 | 75.2° | 68.4° |
| C18 | C20 | S1 | N2 | 172.8° | 180.0° |
| C20 | C18 | C2 | C1 | 65.3° | 60.0° |
| C20 | C18 | C2 | C3 | 112.6° | 128.6° |
| C18 | C20 | H15 | H16 | 118.3° | 120.0° |
| C20 | C18 | C2 | H32 | 89.1° | 85.7° |
| C2 | C18 | C20 | S1 | 166.8° | 175.0° |
| C18 | C2 | C1 | C3 | 100.3° | 107.4° |
| C18 | C2 | C1 | H32 | 154.8° | 145.1° |
| C18 | C2 | C3 | H32 | 158.7° | 145.0° |
| C2 | C18 | C20 | H15 | 46.2° | 55.0° |
| C2 | C18 | C20 | H16 | 72.7° | 65.0° |
| C18 | C2 | C1 | H30 | 148.1° | 145.0° |
| C18 | C2 | C1 | H31 | 11.1° | 0.0° |
| C18 | C2 | C3 | H33 | 151.8° | 145.0° |
| C18 | C2 | C3 | H34 | 14.9° | 0.0° |
| C20 | S1 | O4 | O5 | 126.0° | 131.5° |
| C20 | S1 | O4 | N2 | 118.7° | 111.7° |
| C20 | S1 | O5 | N2 | 114.8° | 111.8° |
| C20 | S1 | N2 | C25 | 80.5° | 90.0° |
| C20 | S1 | N2 | C28 | 55.5° | 90.4° |
| S1 | C20 | C18 | H14 | 47.0° | 55.0° |
| S1 | C20 | H15 | H16 | 118.2° | 120.0° |
| C29 | C7 | C8 | C12 | 178.1° | 179.7° |
| C29 | C7 | C8 | C9 | 178.0° | 180.0° |
| C29 | C7 | C12 | C11 | 177.9° | 179.7° |
| C7 | C29 | C19 | H5 | 60.4° | 51.2° |
| C29 | C7 | C8 | H18 | 2.0° | 0.0° |
| C29 | C7 | C12 | H21 | 2.1° | 0.0° |
| C7 | C8 | C9 | H18 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C12 | C11 | 0.3° | 0.5° |
| C8 | C7 | C29 | H17 | 178.6° | 19.5° |
| C7 | C8 | C9 | H19 | 179.9° | 180.0° |
| C8 | C7 | C12 | H21 | 179.7° | 179.7° |
| C12 | C7 | C8 | C9 | 0.1° | 0.2° |
| C7 | C12 | C11 | C10 | 0.3° | 0.6° |
| C7 | C12 | C11 | H21 | 180.0° | 179.7° |
| C12 | C7 | C29 | H17 | 3.2° | 160.8° |
| C12 | C7 | C8 | H18 | 180.0° | 179.7° |
| C7 | C12 | C11 | H20 | 179.7° | 179.7° |
| C8 | C9 | C10 | H19 | 180.0° | 179.9° |
| C8 | C9 | C10 | CL1 | 179.5° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C10 | CL1 | C11 | 179.5° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.3° |
| C10 | C9 | C8 | H18 | 179.9° | 180.0° |
| C9 | C10 | C11 | H20 | 179.8° | 180.0° |
| CL1 | C10 | C11 | C12 | 179.3° | 179.7° |
| CL1 | C10 | C9 | H19 | 0.5° | 0.1° |
| CL1 | C10 | C11 | H20 | 0.8° | 0.0° |
| C10 | C11 | C12 | H20 | 180.0° | 179.7° |
| C11 | C10 | C9 | H19 | 180.0° | 180.0° |
| C10 | C11 | C12 | H21 | 179.7° | 179.7° |
| O4 | S1 | O5 | N2 | 115.6° | 116.7° |
| O4 | S1 | N2 | C25 | 156.8° | 26.1° |
| O4 | S1 | N2 | C28 | 67.2° | 153.6° |
| O4 | S1 | C20 | H15 | 64.6° | 171.6° |
| O4 | S1 | C20 | H16 | 176.5° | 51.6° |
| O5 | S1 | N2 | C25 | 33.2° | 153.9° |
| O5 | S1 | N2 | C28 | 169.2° | 25.8° |
| O5 | S1 | C20 | H15 | 164.3° | 51.6° |
| O5 | S1 | C20 | H16 | 45.4° | 171.7° |
| S1 | N2 | C25 | C28 | 141.7° | 179.7° |
| S1 | N2 | C25 | C26 | 155.5° | 179.0° |
| S1 | N2 | C28 | C27 | 141.4° | 155.8° |
| N2 | S1 | C20 | H15 | 52.2° | 60.0° |
| N2 | S1 | C20 | H16 | 66.7° | 60.0° |
| S1 | N2 | C25 | H22 | 35.8° | 59.6° |
| S1 | N2 | C25 | H23 | 84.9° | 61.6° |
| S1 | N2 | C28 | H28 | 99.2° | 85.2° |
| S1 | N2 | C28 | H29 | 22.0° | 37.1° |
| N2 | C25 | C26 | H22 | 119.6° | 119.4° |
| N2 | C25 | C26 | H23 | 119.6° | 119.4° |
| N2 | C25 | C26 | C27 | 17.5° | 22.2° |
| C25 | N2 | C28 | C27 | 4.3° | 24.5° |
| N2 | C25 | H22 | H23 | 121.1° | 121.1° |
| N2 | C25 | C26 | H24 | 136.9° | 140.6° |
| N2 | C25 | C26 | H25 | 101.9° | 96.2° |
| C25 | N2 | C28 | H28 | 123.7° | 94.5° |
| C25 | N2 | C28 | H29 | 115.1° | 143.2° |
| C28 | N2 | C25 | C26 | 13.8° | 1.3° |
| N2 | C28 | C27 | C26 | 6.9° | 37.3° |
| N2 | C28 | C27 | H28 | 119.4° | 118.9° |
| N2 | C28 | C27 | H29 | 119.4° | 118.7° |
| C28 | N2 | C25 | H22 | 105.8° | 120.7° |
| C28 | N2 | C25 | H23 | 133.5° | 118.1° |
| N2 | C28 | C27 | H26 | 113.0° | 80.8° |
| N2 | C28 | C27 | H27 | 126.7° | 155.3° |
| N2 | C28 | H28 | H29 | 121.8° | 122.2° |
| C25 | C26 | C27 | H24 | 119.4° | 118.4° |
| C25 | C26 | C27 | H25 | 119.4° | 118.3° |
| C25 | C26 | C27 | C28 | 15.1° | 35.7° |
| C26 | C25 | H22 | H23 | 121.1° | 121.1° |
| C25 | C26 | H24 | H25 | 121.8° | 123.2° |
| C25 | C26 | C27 | H26 | 104.8° | 82.6° |
| C25 | C26 | C27 | H27 | 135.0° | 153.6° |
| C26 | C27 | C28 | H26 | 119.9° | 118.1° |
| C26 | C27 | C28 | H27 | 119.9° | 117.9° |
| C27 | C26 | C25 | H22 | 102.1° | 97.2° |
| C27 | C26 | C25 | H23 | 137.1° | 141.6° |
| C27 | C26 | H24 | H25 | 121.8° | 123.3° |
| C26 | C27 | H26 | H27 | 120.4° | 123.8° |
| C26 | C27 | C28 | H28 | 112.5° | 81.6° |
| C26 | C27 | C28 | H29 | 126.2° | 156.1° |
| C28 | C27 | C26 | H24 | 134.5° | 154.1° |
| C28 | C27 | C26 | H25 | 104.3° | 82.6° |
| C28 | C27 | H26 | H27 | 120.4° | 123.9° |
| C27 | C28 | H28 | H29 | 121.8° | 122.4° |
| C2 | C1 | C3 | H30 | 111.5° | 107.4° |
| C2 | C1 | C3 | H31 | 111.5° | 107.5° |
| C1 | C2 | C3 | H32 | 104.7° | 107.5° |
| C1 | C2 | C18 | H14 | 54.5° | 60.0° |
| C2 | C1 | H30 | H31 | 140.6° | 145.7° |
| C2 | C1 | C3 | H33 | 111.5° | 107.5° |
| C2 | C1 | C3 | H34 | 111.5° | 107.6° |
| C3 | C1 | H30 | H31 | 140.6° | 145.7° |
| C1 | C3 | H33 | H34 | 140.5° | 145.6° |
| C3 | C2 | C18 | H14 | 7.2° | 8.6° |
| C2 | C3 | H33 | H34 | 140.5° | 145.8° |
| H2 | C15 | C14 | H3 | 0.1° | 0.0° |
| H3 | C14 | C13 | H4 | 0.1° | 0.0° |
| H5 | C19 | C22 | H6 | 68.9° | 67.3° |
| H5 | C19 | C22 | H7 | 172.0° | 172.1° |
| H5 | C19 | C29 | H17 | 175.2° | 170.6° |
| H11 | C24 | H12 | H13 | 120.0° | 119.9° |
| H14 | C18 | C20 | H15 | 73.5° | 64.9° |
| H14 | C18 | C20 | H16 | 167.6° | 175.0° |
| H14 | C18 | C2 | H32 | 151.2° | 154.3° |
| H18 | C8 | C9 | H19 | 0.1° | 0.1° |
| H20 | C11 | C12 | H21 | 0.3° | 0.0° |
| H22 | C25 | C26 | H24 | 17.2° | 21.2° |
| H22 | C25 | C26 | H25 | 138.5° | 144.4° |
| H23 | C25 | C26 | H24 | 103.5° | 100.0° |
| H23 | C25 | C26 | H25 | 17.8° | 23.2° |
| H24 | C26 | C27 | H26 | 14.6° | 35.7° |
| H24 | C26 | C27 | H27 | 105.7° | 88.0° |
| H25 | C26 | C27 | H26 | 135.9° | 159.0° |
| H25 | C26 | C27 | H27 | 15.6° | 35.3° |
| H26 | C27 | C28 | H28 | 127.6° | 160.3° |
| H26 | C27 | C28 | H29 | 6.4° | 37.9° |
| H27 | C27 | C28 | H28 | 7.4° | 36.4° |
| H27 | C27 | C28 | H29 | 113.9° | 86.0° |
| H30 | C1 | C2 | H32 | 6.7° | 0.0° |
| H30 | C1 | C3 | H33 | 0.0° | 0.1° |
| H30 | C1 | C3 | H34 | 137.0° | 145.0° |
| H31 | C1 | C2 | H32 | 143.6° | 145.0° |
| H31 | C1 | C3 | H33 | 137.0° | 145.0° |
| H31 | C1 | C3 | H34 | 0.0° | 0.1° |
| H32 | C2 | C3 | H33 | 6.8° | 0.1° |
| H32 | C2 | C3 | H34 | 143.7° | 145.0° |
