OK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| S1 | C15 | sing | 1.76Å | 1.72Å | Aromatic |
| S1 | C14 | sing | 1.75Å | 1.74Å | Aromatic |
| F1 | C36 | sing | 1.35Å | 1.36Å | |
| C36 | C37 | doub | 1.39Å | 1.37Å | Aromatic |
| N6 | C15 | doub | 1.34Å | 1.34Å | Aromatic |
| N6 | C32 | sing | 1.31Å | 1.33Å | Aromatic |
| C33 | C14 | sing | 1.48Å | 1.47Å | |
| C33 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C32 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.46Å | 1.45Å | Aromatic |
| C16 | C17 | doub | 1.42Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.48Å | 1.48Å | |
| C8 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N5 | C17 | sing | 1.32Å | 1.31Å | Aromatic |
| C17 | O2 | sing | 1.35Å | 1.36Å | |
| CL1 | C7 | sing | 1.74Å | 1.73Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C18 | sing | 1.43Å | 1.44Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C23 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | O3 | sing | 1.43Å | 1.42Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C21 | O3 | sing | 1.36Å | 1.37Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C31 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C23 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| C25 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| O5 | C31 | doub | 1.21Å | 1.26Å | |
| C31 | O4 | sing | 1.34Å | 1.25Å | |
| C26 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C40 | N1 | sing | 1.47Å | 1.46Å | |
| C39 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C36 | 118.6° | 120.1° |
| C35 | C34 | C33 | 120.6° | 119.9° |
| C35 | C34 | H33 | 119.7° | 120.1° |
| C34 | C35 | H34 | 120.7° | 119.9° |
| C35 | C36 | F1 | 118.6° | 119.9° |
| C35 | C36 | C37 | 122.9° | 120.3° |
| C36 | C35 | H34 | 120.7° | 120.0° |
| C34 | C33 | C14 | 120.6° | 120.1° |
| C34 | C33 | C38 | 118.6° | 119.7° |
| C33 | C34 | H33 | 119.7° | 120.0° |
| C15 | S1 | C14 | 90.1° | 92.5° |
| S1 | C15 | N6 | 123.8° | 130.8° |
| S1 | C15 | C16 | 114.5° | 110.2° |
| S1 | C14 | C33 | 117.7° | 124.5° |
| S1 | C14 | C13 | 113.0° | 111.0° |
| F1 | C36 | C37 | 118.5° | 119.8° |
| C36 | C37 | C38 | 118.0° | 120.1° |
| C36 | C37 | H35 | 121.0° | 120.0° |
| C15 | N6 | C32 | 116.9° | 121.1° |
| N6 | C15 | C16 | 121.7° | 119.0° |
| N6 | C32 | N5 | 125.1° | 122.2° |
| N6 | C32 | H32 | 117.5° | 118.9° |
| C14 | C33 | C38 | 120.8° | 120.2° |
| C33 | C14 | C13 | 129.2° | 124.5° |
| C33 | C38 | C37 | 121.3° | 119.9° |
| C33 | C38 | H36 | 119.4° | 120.1° |
| C15 | C16 | C13 | 109.9° | 112.3° |
| C15 | C16 | C17 | 116.9° | 117.6° |
| C14 | C13 | C16 | 112.6° | 114.0° |
| C14 | C13 | C10 | 123.2° | 123.0° |
| C9 | C8 | C10 | 121.7° | 120.0° |
| C9 | C8 | C7 | 119.5° | 120.0° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.4° | 109.5° |
| C8 | C9 | H16 | 109.5° | 109.5° |
| C32 | N5 | C17 | 118.2° | 121.1° |
| N5 | C32 | H32 | 117.4° | 118.9° |
| C38 | C37 | H35 | 121.0° | 119.9° |
| C37 | C38 | H36 | 119.3° | 120.0° |
| C13 | C16 | C17 | 133.2° | 130.1° |
| C16 | C13 | C10 | 124.2° | 123.0° |
| C16 | C17 | N5 | 121.2° | 119.0° |
| C16 | C17 | O2 | 119.8° | 120.5° |
| C13 | C10 | C8 | 120.8° | 120.1° |
| C13 | C10 | C11 | 119.7° | 120.1° |
| C10 | C8 | C7 | 118.8° | 119.9° |
| C8 | C10 | C11 | 119.3° | 119.8° |
| C8 | C7 | CL1 | 119.4° | 120.0° |
| C8 | C7 | C6 | 122.0° | 120.1° |
| N5 | C17 | O2 | 119.0° | 120.5° |
| C17 | O2 | C18 | 116.7° | 117.0° |
| CL1 | C7 | C6 | 118.6° | 120.0° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C10 | C11 | H17 | 119.6° | 120.0° |
| C7 | C6 | C12 | 118.4° | 120.2° |
| C7 | C6 | O1 | 116.0° | 120.0° |
| O2 | C18 | C31 | 113.3° | 109.5° |
| O2 | C18 | C19 | 106.6° | 109.5° |
| O2 | C18 | H19 | 109.6° | 109.5° |
| C27 | C28 | C29 | 120.7° | 120.0° |
| C28 | C27 | C21 | 119.2° | 120.0° |
| C28 | C27 | H27 | 120.4° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.1° |
| C29 | C28 | H28 | 119.6° | 120.0° |
| C28 | C29 | H29 | 120.0° | 119.9° |
| C27 | C21 | O3 | 122.9° | 120.1° |
| C27 | C21 | C20 | 121.1° | 119.8° |
| C21 | C27 | H27 | 120.4° | 120.0° |
| C11 | C12 | C6 | 120.5° | 120.1° |
| C12 | C11 | H17 | 119.5° | 120.0° |
| C11 | C12 | H18 | 119.7° | 120.0° |
| C29 | C30 | C20 | 120.9° | 120.0° |
| C30 | C29 | H29 | 120.0° | 119.9° |
| C29 | C30 | H30 | 119.5° | 120.0° |
| C24 | N3 | C23 | 117.8° | 120.0° |
| N3 | C24 | C25 | 121.3° | 120.0° |
| N3 | C24 | H24 | 119.3° | 120.0° |
| N3 | C23 | C22 | 117.1° | 120.0° |
| N3 | C23 | C26 | 120.0° | 120.0° |
| O3 | C22 | C23 | 106.9° | 109.4° |
| C22 | O3 | C21 | 118.2° | 117.0° |
| O3 | C22 | H22 | 110.1° | 109.5° |
| O3 | C22 | H23 | 110.1° | 109.5° |
| C22 | C23 | C26 | 122.9° | 120.0° |
| C23 | C22 | H22 | 110.1° | 109.5° |
| C23 | C22 | H23 | 110.1° | 109.4° |
| O3 | C21 | C20 | 116.0° | 120.1° |
| C21 | C20 | C30 | 118.0° | 120.0° |
| C21 | C20 | C19 | 121.2° | 120.0° |
| C31 | C18 | C19 | 110.4° | 109.5° |
| C18 | C31 | O5 | 120.2° | 120.0° |
| C18 | C31 | O4 | 117.3° | 120.0° |
| C31 | C18 | H19 | 108.3° | 109.5° |
| C18 | C19 | C20 | 112.2° | 109.5° |
| C19 | C18 | H19 | 108.6° | 109.4° |
| C18 | C19 | H20 | 108.8° | 109.5° |
| C18 | C19 | H21 | 108.8° | 109.5° |
| C24 | C25 | N4 | 121.8° | 120.1° |
| C25 | C24 | H24 | 119.4° | 120.0° |
| C24 | C25 | H25 | 119.1° | 120.0° |
| C12 | C6 | O1 | 125.5° | 119.9° |
| C6 | C12 | H18 | 119.8° | 119.9° |
| C6 | O1 | C5 | 118.7° | 117.0° |
| C23 | C26 | N4 | 122.3° | 120.0° |
| C23 | C26 | H26 | 118.8° | 120.0° |
| C30 | C20 | C19 | 120.8° | 120.0° |
| C20 | C30 | H30 | 119.5° | 120.0° |
| C20 | C19 | H20 | 108.8° | 109.5° |
| C20 | C19 | H21 | 108.8° | 109.4° |
| C25 | N4 | C26 | 116.8° | 120.0° |
| N4 | C25 | H25 | 119.1° | 120.0° |
| O5 | C31 | O4 | 122.4° | 120.0° |
| C31 | O4 | H31 | 109.5° | 117.0° |
| N4 | C26 | H26 | 118.8° | 120.0° |
| O1 | C5 | C4 | 108.7° | 109.4° |
| O1 | C5 | H12 | 109.6° | 109.5° |
| O1 | C5 | H13 | 109.7° | 109.5° |
| C39 | C40 | N1 | 110.9° | 109.3° |
| C40 | C39 | N2 | 111.0° | 109.4° |
| C40 | C39 | H37 | 109.1° | 109.5° |
| C40 | C39 | H38 | 109.1° | 109.5° |
| C39 | C40 | H39 | 109.1° | 109.5° |
| C39 | C40 | H40 | 109.1° | 109.5° |
| C40 | N1 | C1 | 110.9° | 111.0° |
| C40 | N1 | C2 | 109.7° | 110.9° |
| N1 | C40 | H39 | 109.1° | 109.5° |
| N1 | C40 | H40 | 109.1° | 109.5° |
| C39 | N2 | C4 | 112.6° | 111.0° |
| C39 | N2 | C3 | 107.7° | 110.9° |
| N2 | C39 | H37 | 109.1° | 109.5° |
| N2 | C39 | H38 | 109.1° | 109.5° |
| C1 | N1 | C2 | 111.4° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.4° |
| N1 | C2 | C3 | 111.8° | 109.4° |
| N1 | C2 | H5 | 108.9° | 109.5° |
| N1 | C2 | H6 | 108.9° | 109.4° |
| C5 | C4 | N2 | 114.7° | 109.5° |
| C5 | C4 | H10 | 108.2° | 109.5° |
| C5 | C4 | H11 | 108.1° | 109.5° |
| C4 | C5 | H12 | 109.7° | 109.4° |
| C4 | C5 | H13 | 109.6° | 109.5° |
| C4 | N2 | C3 | 111.9° | 111.0° |
| N2 | C4 | H10 | 108.1° | 109.4° |
| N2 | C4 | H11 | 108.2° | 109.4° |
| N2 | C3 | C2 | 110.0° | 109.4° |
| N2 | C3 | H7 | 109.4° | 109.5° |
| N2 | C3 | H8 | 109.3° | 109.5° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C3 | C2 | H6 | 108.9° | 109.5° |
| C2 | C3 | H7 | 109.3° | 109.5° |
| C2 | C3 | H8 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.4° |
| H10 | C4 | H11 | 109.5° | 109.4° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.4° |
| H39 | C40 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C34 | C35 | C36 | F1 | 179.5° | 180.0° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C35 | C34 | C33 | C14 | 178.7° | 180.0° |
| C35 | C34 | C33 | C38 | 1.5° | 0.3° |
| C36 | C35 | C34 | C33 | 0.5° | 0.0° |
| C35 | C36 | F1 | C37 | 179.8° | 179.9° |
| C35 | C36 | C37 | C38 | 0.2° | 0.3° |
| C36 | C35 | C34 | H33 | 179.5° | 180.0° |
| C35 | C36 | C37 | H35 | 179.8° | 179.9° |
| C34 | C33 | C14 | S1 | 43.0° | 49.4° |
| C34 | C33 | C14 | C38 | 177.2° | 179.7° |
| C34 | C33 | C14 | C13 | 141.9° | 130.6° |
| C34 | C33 | C38 | C37 | 1.6° | 0.6° |
| C33 | C34 | C35 | H34 | 179.5° | 180.0° |
| C34 | C33 | C38 | H36 | 178.4° | 179.7° |
| S1 | C15 | N6 | C16 | 178.0° | 179.8° |
| S1 | C15 | N6 | C32 | 179.5° | 179.8° |
| C15 | S1 | C14 | C33 | 174.2° | 180.0° |
| C15 | S1 | C14 | C13 | 1.6° | 0.0° |
| S1 | C15 | C16 | C13 | 0.4° | 0.4° |
| S1 | C15 | C16 | C17 | 179.4° | 180.0° |
| C14 | S1 | C15 | N6 | 179.3° | 180.0° |
| S1 | C14 | C33 | C13 | 175.0° | 180.0° |
| S1 | C14 | C33 | C38 | 134.1° | 130.3° |
| C14 | S1 | C15 | C16 | 1.1° | 0.2° |
| S1 | C14 | C13 | C16 | 1.8° | 0.3° |
| S1 | C14 | C13 | C10 | 179.0° | 180.0° |
| F1 | C36 | C37 | C38 | 179.6° | 179.7° |
| F1 | C36 | C35 | H34 | 0.5° | 0.1° |
| F1 | C36 | C37 | H35 | 0.4° | 0.0° |
| C36 | C37 | C38 | C33 | 0.8° | 0.6° |
| C36 | C37 | C38 | H35 | 180.0° | 179.7° |
| C37 | C36 | C35 | H34 | 179.6° | 180.0° |
| C36 | C37 | C38 | H36 | 179.2° | 179.7° |
| C15 | N6 | C32 | N5 | 3.1° | 0.5° |
| N6 | C15 | C16 | C13 | 178.6° | 179.8° |
| N6 | C15 | C16 | C17 | 1.2° | 0.2° |
| C15 | N6 | C32 | H32 | 176.9° | 179.8° |
| C32 | N6 | C15 | C16 | 2.5° | 0.5° |
| N6 | C32 | N5 | H32 | 180.0° | 179.7° |
| N6 | C32 | N5 | C17 | 2.3° | 0.3° |
| C14 | C33 | C38 | C37 | 178.8° | 179.7° |
| C33 | C14 | C13 | C16 | 173.5° | 179.7° |
| C33 | C14 | C13 | C10 | 5.8° | 0.0° |
| C14 | C33 | C34 | H33 | 1.3° | 0.0° |
| C14 | C33 | C38 | H36 | 1.2° | 0.0° |
| C38 | C33 | C14 | C13 | 40.9° | 49.7° |
| C33 | C38 | C37 | H36 | 180.0° | 179.7° |
| C38 | C33 | C34 | H33 | 178.5° | 179.7° |
| C33 | C38 | C37 | H35 | 179.2° | 179.7° |
| C15 | C16 | C13 | C14 | 0.9° | 0.5° |
| C15 | C16 | C13 | C17 | 179.8° | 179.5° |
| C15 | C16 | C13 | C10 | 179.9° | 179.8° |
| C15 | C16 | C17 | N5 | 0.4° | 0.0° |
| C15 | C16 | C17 | O2 | 178.4° | 180.0° |
| C14 | C13 | C16 | C10 | 179.2° | 179.7° |
| C14 | C13 | C16 | C17 | 179.4° | 179.9° |
| C14 | C13 | C10 | C8 | 64.9° | 90.0° |
| C14 | C13 | C10 | C11 | 110.5° | 90.0° |
| C9 | C8 | C10 | C13 | 2.3° | 0.0° |
| C9 | C8 | C10 | C7 | 179.3° | 180.0° |
| C9 | C8 | C7 | CL1 | 1.2° | 0.0° |
| C9 | C8 | C10 | C11 | 177.6° | 180.0° |
| C9 | C8 | C7 | C6 | 178.6° | 180.0° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| C8 | C9 | H14 | H16 | 120.0° | 120.0° |
| C8 | C9 | H15 | H16 | 120.0° | 120.0° |
| C32 | N5 | C17 | C16 | 0.9° | 0.0° |
| C32 | N5 | C17 | O2 | 177.9° | 180.0° |
| C16 | C13 | C10 | C8 | 116.0° | 89.7° |
| C13 | C16 | C17 | N5 | 179.4° | 179.5° |
| C13 | C16 | C17 | O2 | 1.9° | 0.5° |
| C16 | C13 | C10 | C11 | 68.6° | 90.3° |
| C17 | C16 | C13 | C10 | 0.1° | 0.3° |
| C16 | C17 | N5 | O2 | 178.8° | 180.0° |
| C16 | C17 | O2 | C18 | 167.9° | 180.0° |
| C13 | C10 | C8 | C11 | 175.4° | 179.9° |
| C13 | C10 | C8 | C7 | 178.4° | 180.0° |
| C13 | C10 | C11 | C12 | 178.2° | 180.0° |
| C13 | C10 | C11 | H17 | 1.8° | 0.0° |
| C10 | C8 | C7 | CL1 | 178.2° | 180.0° |
| C10 | C8 | C7 | C6 | 2.0° | 0.0° |
| C8 | C10 | C11 | C12 | 2.7° | 0.1° |
| C10 | C8 | C9 | H14 | 89.7° | 90.0° |
| C10 | C8 | C9 | H15 | 150.3° | 150.0° |
| C10 | C8 | C9 | H16 | 30.4° | 30.0° |
| C8 | C10 | C11 | H17 | 177.3° | 180.0° |
| C8 | C7 | CL1 | C6 | 179.8° | 180.0° |
| C7 | C8 | C10 | C11 | 3.0° | 0.0° |
| C8 | C7 | C6 | C12 | 0.7° | 0.0° |
| C8 | C7 | C6 | O1 | 179.5° | 179.7° |
| C7 | C8 | C9 | H14 | 89.6° | 90.0° |
| C7 | C8 | C9 | H15 | 30.3° | 30.0° |
| C7 | C8 | C9 | H16 | 150.3° | 150.0° |
| N5 | C17 | O2 | C18 | 10.8° | 0.0° |
| C17 | N5 | C32 | H32 | 177.7° | 180.0° |
| C17 | O2 | C18 | C31 | 59.6° | 90.0° |
| C17 | O2 | C18 | C19 | 178.9° | 150.0° |
| C17 | O2 | C18 | H19 | 61.6° | 30.0° |
| CL1 | C7 | C6 | C12 | 179.5° | 180.0° |
| CL1 | C7 | C6 | O1 | 0.3° | 0.3° |
| C10 | C11 | C12 | H17 | 180.0° | 179.9° |
| C10 | C11 | C12 | C6 | 1.4° | 0.1° |
| C10 | C11 | C12 | H18 | 178.6° | 179.7° |
| C7 | C6 | C12 | C11 | 0.3° | 0.1° |
| C7 | C6 | C12 | O1 | 179.9° | 179.7° |
| C7 | C6 | O1 | C5 | 177.2° | 179.7° |
| C7 | C6 | C12 | H18 | 179.7° | 179.7° |
| O2 | C18 | C31 | C19 | 119.4° | 120.0° |
| O2 | C18 | C31 | H19 | 121.9° | 120.1° |
| O2 | C18 | C19 | H19 | 118.0° | 120.0° |
| O2 | C18 | C19 | C20 | 62.2° | 65.0° |
| O2 | C18 | C31 | O5 | 13.4° | 5.0° |
| O2 | C18 | C31 | O4 | 164.6° | 175.0° |
| O2 | C18 | C19 | H20 | 177.4° | 175.0° |
| O2 | C18 | C19 | H21 | 58.2° | 55.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C27 | C21 | H27 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.0° | 0.2° |
| C28 | C27 | C21 | O3 | 179.8° | 180.0° |
| C28 | C27 | C21 | C20 | 1.9° | 0.0° |
| C27 | C28 | C29 | H29 | 179.0° | 179.9° |
| C29 | C28 | C27 | C21 | 1.2° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.7° |
| C28 | C29 | C30 | C20 | 2.5° | 0.5° |
| C29 | C28 | C27 | H27 | 178.8° | 179.9° |
| C28 | C29 | C30 | H30 | 177.4° | 180.0° |
| C27 | C21 | O3 | C22 | 11.5° | 0.0° |
| C27 | C21 | O3 | C20 | 178.0° | 180.0° |
| C27 | C21 | C20 | C30 | 0.4° | 0.3° |
| C27 | C21 | C20 | C19 | 177.8° | 180.0° |
| C21 | C27 | C28 | H28 | 178.8° | 180.0° |
| C11 | C12 | C6 | H18 | 180.0° | 179.8° |
| C11 | C12 | C6 | O1 | 179.8° | 179.8° |
| C29 | C30 | C20 | C21 | 1.8° | 0.5° |
| C29 | C30 | C20 | H30 | 180.0° | 179.5° |
| C29 | C30 | C20 | C19 | 180.0° | 179.8° |
| C30 | C29 | C28 | H28 | 179.0° | 179.8° |
| C24 | N3 | C23 | C22 | 179.9° | 180.0° |
| N3 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | N3 | C23 | C26 | 0.6° | 0.3° |
| N3 | C24 | C25 | N4 | 1.1° | 0.0° |
| N3 | C24 | C25 | H25 | 178.9° | 180.0° |
| N3 | C23 | C22 | O3 | 172.9° | 179.7° |
| N3 | C23 | C22 | C26 | 179.3° | 179.7° |
| C23 | N3 | C24 | C25 | 1.3° | 0.0° |
| N3 | C23 | C26 | N4 | 0.4° | 0.5° |
| N3 | C23 | C22 | H22 | 67.5° | 60.3° |
| N3 | C23 | C22 | H23 | 53.3° | 59.7° |
| C23 | N3 | C24 | H24 | 178.7° | 180.0° |
| N3 | C23 | C26 | H26 | 179.6° | 179.7° |
| O3 | C22 | C23 | H22 | 119.6° | 120.0° |
| O3 | C22 | C23 | H23 | 119.6° | 120.0° |
| C22 | O3 | C21 | C20 | 170.5° | 180.0° |
| O3 | C22 | C23 | C26 | 7.8° | 0.0° |
| O3 | C22 | H22 | H23 | 121.2° | 120.1° |
| C23 | C22 | O3 | C21 | 178.2° | 180.0° |
| C22 | C23 | C26 | N4 | 178.9° | 179.8° |
| C23 | C22 | H22 | H23 | 121.2° | 120.0° |
| C22 | C23 | C26 | H26 | 1.1° | 0.0° |
| O3 | C21 | C20 | C30 | 178.5° | 179.7° |
| O3 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | O3 | C22 | H22 | 62.2° | 60.0° |
| C21 | O3 | C22 | H23 | 58.6° | 60.1° |
| O3 | C21 | C27 | H27 | 0.2° | 0.1° |
| C21 | C20 | C19 | C18 | 74.2° | 85.0° |
| C21 | C20 | C30 | C19 | 178.2° | 179.7° |
| C21 | C20 | C19 | H20 | 46.1° | 35.0° |
| C21 | C20 | C19 | H21 | 165.3° | 155.0° |
| C20 | C21 | C27 | H27 | 178.1° | 179.9° |
| C21 | C20 | C30 | H30 | 178.2° | 180.0° |
| C31 | C18 | C19 | H19 | 118.6° | 120.0° |
| C31 | C18 | C19 | C20 | 174.4° | 175.0° |
| C18 | C31 | O5 | O4 | 178.0° | 180.0° |
| C31 | C18 | C19 | H20 | 54.0° | 55.0° |
| C31 | C18 | C19 | H21 | 65.2° | 65.0° |
| C18 | C31 | O4 | H31 | 178.0° | 180.0° |
| C18 | C19 | C20 | C30 | 103.9° | 95.3° |
| C18 | C19 | C20 | H20 | 120.4° | 120.0° |
| C18 | C19 | C20 | H21 | 120.4° | 120.0° |
| C19 | C18 | C31 | O5 | 105.9° | 115.0° |
| C19 | C18 | C31 | O4 | 76.0° | 65.0° |
| C18 | C19 | H20 | H21 | 118.8° | 120.0° |
| C24 | C25 | N4 | H25 | 180.0° | 180.0° |
| C24 | C25 | N4 | C26 | 0.1° | 0.2° |
| C12 | C6 | O1 | C5 | 2.7° | 0.0° |
| C6 | C12 | C11 | H17 | 178.6° | 180.0° |
| C6 | O1 | C5 | C4 | 178.0° | 180.0° |
| C6 | O1 | C5 | H12 | 62.1° | 60.1° |
| C6 | O1 | C5 | H13 | 58.1° | 60.0° |
| O1 | C6 | C12 | H18 | 0.2° | 0.0° |
| C23 | C26 | N4 | C25 | 0.6° | 0.5° |
| C23 | C26 | N4 | H26 | 180.0° | 179.8° |
| C26 | C23 | C22 | H22 | 111.8° | 120.0° |
| C26 | C23 | C22 | H23 | 127.4° | 120.0° |
| C30 | C20 | C19 | H20 | 135.7° | 144.7° |
| C30 | C20 | C19 | H21 | 16.5° | 24.7° |
| C20 | C30 | C29 | H29 | 177.5° | 179.8° |
| C20 | C19 | C18 | H19 | 55.8° | 55.0° |
| C20 | C19 | H20 | H21 | 118.8° | 120.0° |
| C19 | C20 | C30 | H30 | 0.0° | 0.3° |
| N4 | C25 | C24 | H24 | 178.9° | 180.0° |
| C25 | N4 | C26 | H26 | 179.4° | 179.8° |
| O5 | C31 | C18 | H19 | 135.3° | 125.0° |
| O5 | C31 | O4 | H31 | 0.0° | 0.0° |
| O4 | C31 | C18 | H19 | 42.8° | 54.9° |
| C26 | N4 | C25 | H25 | 179.9° | 179.8° |
| O1 | C5 | C4 | H12 | 119.9° | 120.0° |
| O1 | C5 | C4 | H13 | 119.9° | 120.0° |
| O1 | C5 | C4 | N2 | 70.6° | 65.0° |
| O1 | C5 | C4 | H10 | 50.2° | 55.0° |
| O1 | C5 | C4 | H11 | 168.7° | 175.0° |
| O1 | C5 | H12 | H13 | 120.3° | 120.0° |
| C39 | C40 | N1 | H39 | 120.2° | 119.9° |
| C39 | C40 | N1 | H40 | 120.2° | 120.0° |
| C40 | C39 | N2 | H37 | 120.2° | 120.0° |
| C40 | C39 | N2 | H38 | 120.2° | 120.0° |
| C39 | C40 | N1 | C1 | 179.0° | 176.8° |
| C39 | C40 | N1 | C2 | 55.6° | 59.3° |
| C40 | C39 | N2 | C4 | 176.1° | 176.8° |
| C40 | C39 | N2 | C3 | 60.0° | 59.3° |
| C40 | C39 | H37 | H38 | 119.3° | 120.0° |
| C39 | C40 | H39 | H40 | 119.3° | 120.1° |
| N1 | C40 | C39 | N2 | 59.1° | 58.4° |
| C40 | N1 | C1 | C2 | 122.4° | 123.8° |
| C40 | N1 | C2 | C3 | 56.1° | 59.3° |
| C40 | N1 | C1 | H1 | 180.0° | 63.8° |
| C40 | N1 | C1 | H2 | 60.0° | 56.3° |
| C40 | N1 | C1 | H3 | 60.0° | 176.2° |
| C40 | N1 | C2 | H5 | 64.2° | 60.6° |
| C40 | N1 | C2 | H6 | 176.5° | 179.3° |
| N1 | C40 | C39 | H37 | 61.1° | 178.4° |
| N1 | C40 | C39 | H38 | 179.3° | 61.6° |
| N1 | C40 | H39 | H40 | 119.3° | 120.1° |
| C39 | N2 | C4 | C5 | 81.5° | 66.2° |
| C39 | N2 | C4 | C3 | 121.6° | 123.8° |
| C39 | N2 | C3 | C2 | 59.4° | 59.3° |
| C39 | N2 | C3 | H7 | 60.7° | 179.3° |
| C39 | N2 | C3 | H8 | 179.5° | 60.7° |
| C39 | N2 | C4 | H10 | 39.2° | 173.8° |
| C39 | N2 | C4 | H11 | 157.7° | 53.8° |
| N2 | C39 | H37 | H38 | 119.4° | 120.0° |
| N2 | C39 | C40 | H39 | 61.1° | 178.3° |
| N2 | C39 | C40 | H40 | 179.3° | 61.5° |
| C1 | N1 | C2 | C3 | 179.2° | 176.8° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | N1 | C2 | H5 | 58.9° | 63.2° |
| C1 | N1 | C2 | H6 | 60.4° | 56.8° |
| C1 | N1 | C40 | H39 | 58.8° | 56.9° |
| C1 | N1 | C40 | H40 | 60.7° | 63.2° |
| N1 | C2 | C3 | N2 | 59.0° | 58.4° |
| N1 | C2 | C3 | H5 | 120.3° | 119.9° |
| N1 | C2 | C3 | H6 | 120.3° | 120.0° |
| C2 | N1 | C1 | H1 | 57.6° | 60.0° |
| C2 | N1 | C1 | H2 | 62.5° | 179.9° |
| C2 | N1 | C1 | H3 | 177.6° | 60.0° |
| N1 | C2 | H5 | H6 | 118.9° | 120.0° |
| N1 | C2 | C3 | H7 | 61.1° | 178.4° |
| N1 | C2 | C3 | H8 | 179.1° | 61.6° |
| C2 | N1 | C40 | H39 | 64.6° | 179.3° |
| C2 | N1 | C40 | H40 | 175.8° | 60.7° |
| C5 | C4 | N2 | H10 | 120.8° | 120.1° |
| C5 | C4 | N2 | H11 | 120.7° | 120.0° |
| C5 | C4 | N2 | C3 | 156.9° | 170.0° |
| C5 | C4 | H10 | H11 | 117.6° | 120.0° |
| C4 | C5 | H12 | H13 | 120.3° | 120.0° |
| C4 | N2 | C3 | C2 | 176.3° | 176.8° |
| C4 | N2 | C3 | H7 | 63.6° | 56.8° |
| C4 | N2 | C3 | H8 | 56.2° | 63.2° |
| N2 | C4 | H10 | H11 | 117.6° | 119.9° |
| N2 | C4 | C5 | H12 | 169.6° | 175.0° |
| N2 | C4 | C5 | H13 | 49.3° | 55.0° |
| C4 | N2 | C39 | H37 | 63.7° | 56.8° |
| C4 | N2 | C39 | H38 | 55.9° | 63.2° |
| N2 | C3 | C2 | H7 | 120.1° | 120.0° |
| N2 | C3 | C2 | H8 | 120.1° | 120.0° |
| N2 | C3 | C2 | H5 | 61.3° | 61.5° |
| N2 | C3 | C2 | H6 | 179.4° | 178.3° |
| N2 | C3 | H7 | H8 | 119.8° | 120.0° |
| C3 | N2 | C4 | H10 | 82.3° | 49.9° |
| C3 | N2 | C4 | H11 | 36.2° | 70.0° |
| C3 | N2 | C39 | H37 | 60.2° | 179.3° |
| C3 | N2 | C39 | H38 | 179.8° | 60.7° |
| C3 | C2 | H5 | H6 | 119.0° | 120.1° |
| C2 | C3 | H7 | H8 | 119.8° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C2 | C3 | H7 | 178.6° | 58.5° |
| H5 | C2 | C3 | H8 | 58.8° | 178.5° |
| H6 | C2 | C3 | H7 | 59.3° | 61.6° |
| H6 | C2 | C3 | H8 | 60.5° | 58.3° |
| H10 | C4 | C5 | H12 | 69.7° | 65.0° |
| H10 | C4 | C5 | H13 | 170.1° | 175.0° |
| H11 | C4 | C5 | H12 | 48.8° | 55.0° |
| H11 | C4 | C5 | H13 | 71.4° | 65.0° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | C12 | H18 | 1.4° | 0.3° |
| H19 | C18 | C19 | H20 | 64.6° | 65.0° |
| H19 | C18 | C19 | H21 | 176.2° | 175.0° |
| H24 | C24 | C25 | H25 | 1.1° | 0.0° |
| H27 | C27 | C28 | H28 | 1.2° | 0.1° |
| H28 | C28 | C29 | H29 | 1.0° | 0.1° |
| H29 | C29 | C30 | H30 | 2.6° | 0.3° |
| H33 | C34 | C35 | H34 | 0.5° | 0.0° |
| H35 | C37 | C38 | H36 | 0.8° | 0.0° |
| H37 | C39 | C40 | H39 | 178.7° | 61.6° |
| H37 | C39 | C40 | H40 | 59.1° | 58.5° |
| H38 | C39 | C40 | H39 | 59.1° | 58.4° |
| H38 | C39 | C40 | H40 | 60.4° | 178.5° |
