OJT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C36 | doub | 1.21Å | 1.26Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| S1 | C12 | sing | 1.76Å | 1.72Å | Aromatic |
| S1 | C15 | sing | 1.75Å | 1.73Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C12 | doub | 1.34Å | 1.34Å | Aromatic |
| N2 | C11 | sing | 1.31Å | 1.32Å | Aromatic |
| O4 | C36 | sing | 1.34Å | 1.24Å | |
| C36 | C1 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | CL1 | sing | 1.74Å | 1.74Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.46Å | 1.46Å | Aromatic |
| C13 | C10 | doub | 1.42Å | 1.39Å | Aromatic |
| N1 | C10 | sing | 1.32Å | 1.31Å | Aromatic |
| C14 | C22 | sing | 1.48Å | 1.47Å | |
| C10 | O2 | sing | 1.35Å | 1.33Å | |
| C34 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C27 | O3 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | O3 | sing | 1.36Å | 1.36Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | CL2 | sing | 1.74Å | 1.73Å | |
| C28 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C29 | sing | 1.47Å | 1.48Å | |
| N3 | C33 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C4 | sing | 1.36Å | 1.36Å | |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C31 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| O4 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C36 | O4 | 123.3° | 120.0° |
| O5 | C36 | C1 | 122.2° | 120.0° |
| C21 | C20 | C19 | 121.7° | 120.2° |
| C20 | C21 | C16 | 120.2° | 119.9° |
| C21 | C20 | H14 | 119.2° | 119.9° |
| C20 | C21 | H15 | 119.9° | 120.1° |
| C20 | C19 | C18 | 118.2° | 120.3° |
| C20 | C19 | H13 | 120.9° | 119.9° |
| C19 | C20 | H14 | 119.2° | 119.9° |
| C21 | C16 | C15 | 121.7° | 120.2° |
| C21 | C16 | C17 | 117.8° | 119.7° |
| C16 | C21 | H15 | 119.9° | 120.0° |
| C12 | S1 | C15 | 92.2° | 92.6° |
| S1 | C12 | N2 | 123.7° | 130.8° |
| S1 | C12 | C13 | 113.0° | 110.2° |
| S1 | C15 | C16 | 117.5° | 124.5° |
| S1 | C15 | C14 | 110.8° | 111.0° |
| C19 | C18 | C17 | 121.3° | 120.2° |
| C19 | C18 | CL1 | 119.8° | 119.9° |
| C18 | C19 | H13 | 120.9° | 119.9° |
| C12 | N2 | C11 | 115.9° | 121.1° |
| N2 | C12 | C13 | 123.3° | 119.0° |
| N2 | C11 | N1 | 124.7° | 122.2° |
| N2 | C11 | H11 | 117.7° | 118.9° |
| O4 | C36 | C1 | 114.4° | 120.0° |
| C36 | O4 | H38 | 109.5° | 117.0° |
| C36 | C1 | O2 | 111.9° | 109.5° |
| C36 | C1 | C2 | 109.0° | 109.4° |
| C36 | C1 | H1 | 109.3° | 109.4° |
| C12 | C13 | C14 | 110.3° | 112.2° |
| C12 | C13 | C10 | 116.3° | 117.6° |
| C15 | C16 | C17 | 120.5° | 120.1° |
| C16 | C15 | C14 | 131.7° | 124.5° |
| C16 | C17 | C18 | 120.9° | 119.8° |
| C16 | C17 | H12 | 119.5° | 120.1° |
| C11 | N1 | C10 | 118.8° | 121.2° |
| N1 | C11 | H11 | 117.7° | 119.0° |
| C15 | C14 | C13 | 113.3° | 114.0° |
| C15 | C14 | C22 | 122.6° | 123.0° |
| C17 | C18 | CL1 | 118.8° | 119.9° |
| C18 | C17 | H12 | 119.6° | 120.1° |
| C34 | C35 | C22 | 120.9° | 119.9° |
| C35 | C34 | C26 | 120.4° | 120.1° |
| C35 | C34 | H36 | 119.8° | 119.9° |
| C34 | C35 | H37 | 119.6° | 120.0° |
| C35 | C22 | C14 | 119.7° | 120.1° |
| C35 | C22 | C23 | 119.4° | 119.9° |
| C22 | C35 | H37 | 119.5° | 120.1° |
| C14 | C13 | C10 | 133.4° | 130.1° |
| C13 | C14 | C22 | 124.0° | 123.0° |
| C13 | C10 | N1 | 120.9° | 119.0° |
| C13 | C10 | O2 | 119.5° | 120.5° |
| N1 | C10 | O2 | 119.5° | 120.5° |
| C14 | C22 | C23 | 120.7° | 120.0° |
| C10 | O2 | C1 | 117.6° | 117.0° |
| C34 | C26 | O3 | 125.8° | 119.9° |
| C34 | C26 | C25 | 118.7° | 120.1° |
| C26 | C34 | H36 | 119.8° | 120.0° |
| C22 | C23 | C25 | 118.8° | 119.9° |
| C22 | C23 | C24 | 120.5° | 120.1° |
| O2 | C1 | C2 | 107.0° | 109.5° |
| O2 | C1 | H1 | 110.3° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.4° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C2 | C3 | C9 | 121.4° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C3 | C2 | H3 | 109.2° | 109.4° |
| O3 | C27 | C28 | 109.4° | 109.4° |
| C27 | O3 | C26 | 117.8° | 117.0° |
| O3 | C27 | H19 | 109.5° | 109.5° |
| O3 | C27 | H20 | 109.5° | 109.4° |
| C27 | C28 | N3 | 113.7° | 109.5° |
| C28 | C27 | H19 | 109.5° | 109.5° |
| C28 | C27 | H20 | 109.5° | 109.5° |
| C27 | C28 | H21 | 108.4° | 109.4° |
| C27 | C28 | H22 | 108.4° | 109.5° |
| O3 | C26 | C25 | 115.5° | 119.9° |
| C26 | C25 | C23 | 121.8° | 120.1° |
| C26 | C25 | CL2 | 117.5° | 119.9° |
| C25 | C23 | C24 | 120.7° | 120.1° |
| C23 | C25 | CL2 | 120.7° | 119.9° |
| C23 | C24 | H16 | 109.5° | 109.4° |
| C23 | C24 | H17 | 109.5° | 109.5° |
| C23 | C24 | H18 | 109.5° | 109.5° |
| C28 | N3 | C29 | 112.9° | 111.0° |
| C28 | N3 | C33 | 111.6° | 111.0° |
| N3 | C28 | H21 | 108.4° | 109.5° |
| N3 | C28 | H22 | 108.4° | 109.6° |
| C29 | N3 | C33 | 109.4° | 110.9° |
| N3 | C29 | C30 | 111.3° | 109.4° |
| N3 | C29 | H24 | 109.0° | 109.5° |
| N3 | C29 | H25 | 109.0° | 109.5° |
| N3 | C33 | C32 | 111.5° | 109.4° |
| N3 | C33 | H34 | 109.0° | 109.5° |
| N3 | C33 | H35 | 109.0° | 109.5° |
| C29 | C30 | N4 | 112.0° | 109.4° |
| C30 | C29 | H24 | 109.0° | 109.5° |
| C30 | C29 | H25 | 109.0° | 109.5° |
| C29 | C30 | H26 | 108.8° | 109.5° |
| C29 | C30 | H27 | 108.8° | 109.5° |
| C30 | N4 | C32 | 109.8° | 110.9° |
| C30 | N4 | C31 | 111.7° | 111.0° |
| N4 | C30 | H26 | 108.8° | 109.5° |
| N4 | C30 | H27 | 108.8° | 109.5° |
| C9 | C3 | C4 | 118.7° | 120.0° |
| C3 | C9 | C8 | 120.8° | 120.0° |
| C3 | C9 | H10 | 119.6° | 120.0° |
| C3 | C4 | O1 | 114.3° | 120.1° |
| C3 | C4 | C6 | 120.7° | 119.9° |
| C9 | C8 | C7 | 119.9° | 120.1° |
| C9 | C8 | H9 | 120.1° | 120.0° |
| C8 | C9 | H10 | 119.6° | 120.0° |
| C4 | O1 | C5 | 118.8° | 117.0° |
| O1 | C4 | C6 | 125.0° | 120.0° |
| O1 | C5 | H4 | 109.5° | 109.5° |
| O1 | C5 | H5 | 109.5° | 109.4° |
| O1 | C5 | H6 | 109.5° | 109.5° |
| C33 | C32 | N4 | 111.0° | 109.3° |
| C33 | C32 | H32 | 109.1° | 109.5° |
| C33 | C32 | H33 | 109.1° | 109.5° |
| C32 | C33 | H34 | 108.9° | 109.4° |
| C32 | C33 | H35 | 109.0° | 109.5° |
| C4 | C6 | C7 | 119.3° | 119.9° |
| C4 | C6 | H7 | 120.4° | 120.0° |
| C32 | N4 | C31 | 111.1° | 111.0° |
| N4 | C32 | H32 | 109.1° | 109.5° |
| N4 | C32 | H33 | 109.1° | 109.5° |
| N4 | C31 | H29 | 109.5° | 109.5° |
| N4 | C31 | H30 | 109.4° | 109.5° |
| N4 | C31 | H31 | 109.5° | 109.5° |
| C8 | C7 | C6 | 120.7° | 120.1° |
| C8 | C7 | H8 | 119.7° | 120.0° |
| C7 | C8 | H9 | 120.1° | 119.9° |
| C7 | C6 | H7 | 120.3° | 120.1° |
| C6 | C7 | H8 | 119.7° | 119.9° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.5° |
| H16 | C24 | H18 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.4° |
| H29 | C31 | H31 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.6° |
| H34 | C33 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C36 | O4 | C1 | 178.2° | 180.0° |
| O5 | C36 | C1 | O2 | 35.3° | 5.0° |
| O5 | C36 | C1 | C2 | 82.7° | 115.0° |
| O5 | C36 | C1 | H1 | 157.8° | 125.0° |
| O5 | C36 | O4 | H38 | 0.0° | 0.0° |
| C21 | C20 | C19 | H14 | 180.0° | 179.4° |
| C20 | C21 | C16 | H15 | 180.0° | 179.4° |
| C21 | C20 | C19 | C18 | 0.5° | 0.3° |
| C20 | C21 | C16 | C15 | 177.9° | 179.7° |
| C20 | C21 | C16 | C17 | 1.0° | 0.6° |
| C21 | C20 | C19 | H13 | 179.5° | 179.6° |
| C19 | C20 | C21 | C16 | 1.0° | 0.6° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | CL1 | 178.8° | 180.0° |
| C19 | C20 | C21 | H15 | 179.0° | 180.0° |
| C21 | C16 | C15 | S1 | 142.8° | 49.1° |
| C21 | C16 | C15 | C17 | 178.9° | 179.7° |
| C21 | C16 | C15 | C14 | 38.8° | 130.6° |
| C21 | C16 | C17 | C18 | 0.5° | 0.3° |
| C21 | C16 | C17 | H12 | 179.5° | 179.7° |
| C16 | C21 | C20 | H14 | 179.0° | 180.0° |
| S1 | C12 | N2 | C13 | 177.9° | 179.7° |
| S1 | C12 | N2 | C11 | 179.2° | 180.0° |
| C12 | S1 | C15 | C16 | 176.4° | 180.0° |
| C12 | S1 | C15 | C14 | 4.8° | 0.3° |
| S1 | C12 | C13 | C14 | 0.7° | 0.2° |
| S1 | C12 | C13 | C10 | 179.8° | 179.7° |
| C15 | S1 | C12 | N2 | 178.7° | 180.0° |
| C15 | S1 | C12 | C13 | 3.2° | 0.3° |
| S1 | C15 | C16 | C14 | 178.4° | 179.7° |
| S1 | C15 | C16 | C17 | 38.4° | 130.6° |
| S1 | C15 | C14 | C13 | 5.3° | 0.2° |
| S1 | C15 | C14 | C22 | 176.8° | 179.8° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C19 | C18 | C17 | CL1 | 178.8° | 180.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | H14 | 179.5° | 179.7° |
| C12 | N2 | C11 | N1 | 1.7° | 0.1° |
| N2 | C12 | C13 | C14 | 178.9° | 180.0° |
| N2 | C12 | C13 | C10 | 2.0° | 0.5° |
| C12 | N2 | C11 | H11 | 178.3° | 180.0° |
| C11 | N2 | C12 | C13 | 1.2° | 0.2° |
| N2 | C11 | N1 | H11 | 180.0° | 179.9° |
| N2 | C11 | N1 | C10 | 3.6° | 0.0° |
| O4 | C36 | C1 | O2 | 142.9° | 175.0° |
| O4 | C36 | C1 | C2 | 99.0° | 65.0° |
| O4 | C36 | C1 | H1 | 20.4° | 55.0° |
| C36 | C1 | O2 | C10 | 60.1° | 90.1° |
| C36 | C1 | O2 | C2 | 119.3° | 120.0° |
| C36 | C1 | O2 | H1 | 121.9° | 120.0° |
| C36 | C1 | C2 | H1 | 119.4° | 119.9° |
| C36 | C1 | C2 | C3 | 176.2° | 175.0° |
| C36 | C1 | C2 | H2 | 56.0° | 55.0° |
| C36 | C1 | C2 | H3 | 63.7° | 65.1° |
| C1 | C36 | O4 | H38 | 178.2° | 180.0° |
| C12 | C13 | C14 | C15 | 3.0° | 0.0° |
| C12 | C13 | C14 | C10 | 178.9° | 179.5° |
| C12 | C13 | C10 | N1 | 0.0° | 0.5° |
| C12 | C13 | C14 | C22 | 179.1° | 180.0° |
| C12 | C13 | C10 | O2 | 179.1° | 179.7° |
| C15 | C16 | C17 | C18 | 178.4° | 180.0° |
| C16 | C15 | C14 | C13 | 176.2° | 180.0° |
| C16 | C15 | C14 | C22 | 1.7° | 0.1° |
| C15 | C16 | C17 | H12 | 1.6° | 0.1° |
| C15 | C16 | C21 | H15 | 2.1° | 0.3° |
| C17 | C16 | C15 | C14 | 140.1° | 49.7° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | CL1 | 178.8° | 180.0° |
| C17 | C16 | C21 | H15 | 179.0° | 180.0° |
| C11 | N1 | C10 | C13 | 2.6° | 0.3° |
| C11 | N1 | C10 | O2 | 178.2° | 180.0° |
| C15 | C14 | C22 | C35 | 102.4° | 90.3° |
| C15 | C14 | C13 | C22 | 177.9° | 179.9° |
| C15 | C14 | C13 | C10 | 175.9° | 179.4° |
| C15 | C14 | C22 | C23 | 71.5° | 90.1° |
| C17 | C18 | C19 | H13 | 179.9° | 179.9° |
| CL1 | C18 | C17 | H12 | 1.2° | 0.0° |
| CL1 | C18 | C19 | H13 | 1.2° | 0.1° |
| C34 | C35 | C22 | H37 | 180.0° | 179.5° |
| C34 | C35 | C22 | C14 | 176.5° | 179.9° |
| C35 | C34 | C26 | H36 | 180.0° | 179.9° |
| C34 | C35 | C22 | C23 | 2.5° | 0.5° |
| C35 | C34 | C26 | O3 | 177.0° | 179.7° |
| C35 | C34 | C26 | C25 | 1.2° | 0.1° |
| C35 | C22 | C14 | C13 | 75.3° | 89.7° |
| C35 | C22 | C14 | C23 | 173.9° | 179.7° |
| C22 | C35 | C34 | C26 | 0.6° | 0.4° |
| C35 | C22 | C23 | C25 | 2.6° | 0.3° |
| C35 | C22 | C23 | C24 | 179.0° | 179.7° |
| C22 | C35 | C34 | H36 | 179.5° | 179.7° |
| C14 | C13 | C10 | N1 | 178.9° | 179.9° |
| C14 | C13 | C10 | O2 | 0.3° | 0.3° |
| C13 | C14 | C22 | C23 | 110.8° | 90.0° |
| C13 | C10 | N1 | O2 | 179.2° | 179.8° |
| C10 | C13 | C14 | C22 | 2.0° | 0.5° |
| C13 | C10 | O2 | C1 | 169.1° | 179.7° |
| N1 | C10 | O2 | C1 | 10.1° | 0.0° |
| C10 | N1 | C11 | H11 | 176.4° | 180.0° |
| C14 | C22 | C23 | C25 | 176.5° | 180.0° |
| C14 | C22 | C23 | C24 | 5.1° | 0.1° |
| C14 | C22 | C35 | H37 | 3.5° | 0.3° |
| C10 | O2 | C1 | C2 | 179.3° | 150.0° |
| C10 | O2 | C1 | H1 | 61.8° | 29.9° |
| C34 | C26 | O3 | C27 | 6.3° | 0.1° |
| C34 | C26 | O3 | C25 | 178.3° | 179.9° |
| C34 | C26 | C25 | C23 | 1.1° | 0.1° |
| C34 | C26 | C25 | CL2 | 179.5° | 179.9° |
| C26 | C34 | C35 | H37 | 179.5° | 180.0° |
| C22 | C23 | C25 | C26 | 0.8° | 0.0° |
| C22 | C23 | C25 | C24 | 178.4° | 180.0° |
| C22 | C23 | C25 | CL2 | 178.5° | 180.0° |
| C22 | C23 | C24 | H16 | 89.2° | 90.0° |
| C22 | C23 | C24 | H17 | 150.8° | 150.0° |
| C22 | C23 | C24 | H18 | 30.8° | 29.9° |
| C23 | C22 | C35 | H37 | 177.5° | 180.0° |
| O2 | C1 | C2 | H1 | 119.5° | 120.1° |
| O2 | C1 | C2 | C3 | 62.7° | 65.0° |
| O2 | C1 | C2 | H2 | 177.2° | 175.0° |
| O2 | C1 | C2 | H3 | 57.4° | 54.9° |
| C1 | C2 | C3 | H2 | 120.1° | 120.0° |
| C1 | C2 | C3 | H3 | 120.1° | 120.0° |
| C1 | C2 | C3 | C9 | 104.7° | 95.0° |
| C1 | C2 | C3 | C4 | 75.0° | 85.3° |
| C1 | C2 | H2 | H3 | 119.6° | 120.1° |
| C2 | C3 | C9 | C4 | 179.8° | 179.7° |
| C2 | C3 | C9 | C8 | 178.2° | 179.8° |
| C2 | C3 | C4 | O1 | 0.9° | 0.0° |
| C2 | C3 | C4 | C6 | 178.3° | 180.0° |
| C3 | C2 | C1 | H1 | 56.8° | 55.0° |
| C3 | C2 | H2 | H3 | 119.6° | 119.9° |
| C2 | C3 | C9 | H10 | 1.9° | 0.0° |
| O3 | C27 | C28 | H19 | 120.0° | 120.0° |
| O3 | C27 | C28 | H20 | 120.0° | 120.0° |
| C27 | O3 | C26 | C25 | 172.0° | 180.0° |
| O3 | C27 | C28 | N3 | 68.2° | 65.0° |
| O3 | C27 | H19 | H20 | 120.0° | 120.0° |
| O3 | C27 | C28 | H21 | 52.4° | 175.0° |
| O3 | C27 | C28 | H22 | 171.2° | 55.1° |
| C28 | C27 | O3 | C26 | 172.0° | 179.9° |
| C27 | C28 | N3 | H21 | 120.6° | 119.9° |
| C27 | C28 | N3 | H22 | 120.6° | 120.0° |
| C27 | C28 | N3 | C29 | 141.2° | 170.0° |
| C27 | C28 | N3 | C33 | 95.2° | 66.2° |
| C28 | C27 | H19 | H20 | 120.0° | 120.1° |
| C27 | C28 | H21 | H22 | 118.1° | 119.9° |
| O3 | C26 | C25 | C23 | 177.3° | 179.9° |
| O3 | C26 | C25 | CL2 | 2.0° | 0.1° |
| C26 | O3 | C27 | H19 | 52.0° | 60.0° |
| C26 | O3 | C27 | H20 | 68.0° | 60.0° |
| O3 | C26 | C34 | H36 | 3.0° | 0.1° |
| C26 | C25 | C23 | CL2 | 179.3° | 180.0° |
| C26 | C25 | C23 | C24 | 179.2° | 180.0° |
| C25 | C26 | C34 | H36 | 178.7° | 180.0° |
| C25 | C23 | C24 | H16 | 89.2° | 90.0° |
| C25 | C23 | C24 | H17 | 30.8° | 30.0° |
| C25 | C23 | C24 | H18 | 150.8° | 150.0° |
| C24 | C23 | C25 | CL2 | 0.1° | 0.0° |
| C23 | C24 | H16 | H17 | 120.0° | 120.0° |
| C23 | C24 | H16 | H18 | 120.0° | 120.0° |
| C23 | C24 | H17 | H18 | 120.0° | 120.0° |
| C28 | N3 | C29 | C33 | 124.9° | 123.9° |
| C28 | N3 | C29 | C30 | 179.8° | 176.8° |
| C28 | N3 | C33 | C32 | 178.2° | 176.8° |
| N3 | C28 | C27 | H19 | 171.8° | 55.0° |
| N3 | C28 | C27 | H20 | 51.8° | 175.0° |
| N3 | C28 | H21 | H22 | 118.1° | 120.1° |
| C28 | N3 | C29 | H24 | 59.5° | 63.2° |
| C28 | N3 | C29 | H25 | 60.0° | 56.8° |
| C28 | N3 | C33 | H34 | 57.9° | 56.9° |
| C28 | N3 | C33 | H35 | 61.5° | 63.2° |
| N3 | C29 | C30 | H24 | 120.3° | 120.0° |
| N3 | C29 | C30 | H25 | 120.3° | 120.0° |
| N3 | C29 | C30 | N4 | 56.2° | 58.4° |
| C29 | N3 | C33 | C32 | 56.2° | 59.4° |
| C29 | N3 | C28 | H21 | 98.2° | 70.1° |
| C29 | N3 | C28 | H22 | 20.5° | 50.0° |
| N3 | C29 | H24 | H25 | 119.2° | 120.1° |
| N3 | C29 | C30 | H26 | 176.6° | 178.3° |
| N3 | C29 | C30 | H27 | 64.1° | 61.6° |
| C29 | N3 | C33 | H34 | 176.5° | 179.3° |
| C29 | N3 | C33 | H35 | 64.1° | 60.6° |
| C33 | N3 | C29 | C30 | 54.9° | 59.3° |
| N3 | C33 | C32 | H34 | 120.3° | 119.9° |
| N3 | C33 | C32 | H35 | 120.3° | 120.0° |
| N3 | C33 | C32 | N4 | 58.2° | 58.4° |
| C33 | N3 | C28 | H21 | 25.4° | 53.7° |
| C33 | N3 | C28 | H22 | 144.2° | 173.8° |
| C33 | N3 | C29 | H24 | 65.4° | 60.6° |
| C33 | N3 | C29 | H25 | 175.2° | 179.3° |
| N3 | C33 | C32 | H32 | 62.0° | 178.4° |
| N3 | C33 | C32 | H33 | 178.4° | 61.5° |
| N3 | C33 | H34 | H35 | 119.1° | 120.1° |
| C29 | C30 | N4 | H26 | 120.4° | 120.0° |
| C29 | C30 | N4 | H27 | 120.4° | 120.0° |
| C29 | C30 | N4 | C32 | 56.4° | 59.3° |
| C29 | C30 | N4 | C31 | 179.8° | 176.8° |
| C30 | C29 | H24 | H25 | 119.1° | 120.0° |
| C29 | C30 | H26 | H27 | 118.8° | 120.1° |
| C30 | N4 | C32 | C33 | 57.0° | 59.3° |
| C30 | N4 | C32 | C31 | 124.0° | 123.9° |
| N4 | C30 | C29 | H24 | 64.0° | 61.6° |
| N4 | C30 | C29 | H25 | 176.5° | 178.4° |
| N4 | C30 | H26 | H27 | 118.8° | 120.0° |
| C30 | N4 | C31 | H29 | 180.0° | 60.0° |
| C30 | N4 | C31 | H30 | 60.0° | 180.0° |
| C30 | N4 | C31 | H31 | 60.0° | 60.0° |
| C30 | N4 | C32 | H32 | 63.2° | 179.3° |
| C30 | N4 | C32 | H33 | 177.3° | 60.6° |
| C3 | C9 | C8 | H10 | 180.0° | 179.8° |
| C9 | C3 | C4 | O1 | 179.4° | 179.7° |
| C9 | C3 | C4 | C6 | 1.5° | 0.3° |
| C3 | C9 | C8 | C7 | 1.1° | 0.5° |
| C9 | C3 | C2 | H2 | 135.1° | 145.0° |
| C9 | C3 | C2 | H3 | 15.4° | 25.0° |
| C3 | C9 | C8 | H9 | 178.8° | 179.7° |
| C4 | C3 | C9 | C8 | 1.6° | 0.5° |
| C3 | C4 | O1 | C6 | 179.1° | 180.0° |
| C3 | C4 | O1 | C5 | 175.7° | 180.0° |
| C3 | C4 | C6 | C7 | 1.0° | 0.0° |
| C4 | C3 | C2 | H2 | 45.1° | 34.7° |
| C4 | C3 | C2 | H3 | 164.8° | 154.7° |
| C3 | C4 | C6 | H7 | 179.1° | 180.0° |
| C4 | C3 | C9 | H10 | 178.4° | 179.7° |
| C9 | C8 | C7 | H9 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.6° | 0.3° |
| C9 | C8 | C7 | H8 | 179.4° | 179.7° |
| O1 | C4 | C6 | C7 | 180.0° | 180.0° |
| C4 | O1 | C5 | H4 | 180.0° | 60.1° |
| C4 | O1 | C5 | H5 | 60.0° | 180.0° |
| C4 | O1 | C5 | H6 | 60.0° | 60.0° |
| O1 | C4 | C6 | H7 | 0.0° | 0.0° |
| C5 | O1 | C4 | C6 | 5.3° | 0.0° |
| O1 | C5 | H4 | H5 | 120.0° | 119.9° |
| O1 | C5 | H4 | H6 | 120.0° | 120.0° |
| O1 | C5 | H5 | H6 | 120.0° | 120.0° |
| C33 | C32 | N4 | H32 | 120.2° | 120.0° |
| C33 | C32 | N4 | H33 | 120.2° | 119.9° |
| C33 | C32 | N4 | C31 | 178.9° | 176.8° |
| C33 | C32 | H32 | H33 | 119.3° | 120.1° |
| C32 | C33 | H34 | H35 | 119.1° | 120.1° |
| C4 | C6 | C7 | C8 | 0.5° | 0.0° |
| C4 | C6 | C7 | H7 | 180.0° | 180.0° |
| C4 | C6 | C7 | H8 | 179.5° | 180.0° |
| C32 | N4 | C30 | H26 | 176.8° | 179.3° |
| C32 | N4 | C30 | H27 | 64.0° | 60.7° |
| C32 | N4 | C31 | H29 | 57.0° | 63.8° |
| C32 | N4 | C31 | H30 | 177.1° | 56.2° |
| C32 | N4 | C31 | H31 | 63.0° | 176.2° |
| N4 | C32 | H32 | H33 | 119.3° | 120.1° |
| N4 | C32 | C33 | H34 | 178.5° | 178.3° |
| N4 | C32 | C33 | H35 | 62.1° | 61.6° |
| C31 | N4 | C30 | H26 | 59.4° | 56.8° |
| C31 | N4 | C30 | H27 | 59.8° | 63.2° |
| N4 | C31 | H29 | H30 | 120.0° | 120.0° |
| N4 | C31 | H29 | H31 | 120.0° | 120.1° |
| N4 | C31 | H30 | H31 | 120.0° | 120.0° |
| C31 | N4 | C32 | H32 | 60.9° | 56.9° |
| C31 | N4 | C32 | H33 | 58.7° | 63.3° |
| C8 | C7 | C6 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 179.5° | 180.0° |
| C7 | C8 | C9 | H10 | 178.8° | 179.7° |
| C6 | C7 | C8 | H9 | 179.4° | 180.0° |
| H1 | C1 | C2 | H2 | 63.4° | 64.9° |
| H1 | C1 | C2 | H3 | 176.9° | 175.0° |
| H4 | C5 | H5 | H6 | 120.0° | 120.1° |
| H7 | C6 | C7 | H8 | 0.5° | 0.0° |
| H8 | C7 | C8 | H9 | 0.6° | 0.1° |
| H9 | C8 | C9 | H10 | 1.2° | 0.1° |
| H13 | C19 | C20 | H14 | 0.5° | 0.3° |
| H14 | C20 | C21 | H15 | 1.0° | 0.6° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C27 | C28 | H21 | 67.5° | 65.0° |
| H19 | C27 | C28 | H22 | 51.2° | 175.1° |
| H20 | C27 | C28 | H21 | 172.4° | 55.0° |
| H20 | C27 | C28 | H22 | 68.8° | 64.9° |
| H24 | C29 | C30 | H26 | 56.4° | 58.4° |
| H24 | C29 | C30 | H27 | 175.6° | 178.5° |
| H25 | C29 | C30 | H26 | 63.1° | 61.7° |
| H25 | C29 | C30 | H27 | 56.2° | 58.4° |
| H29 | C31 | H30 | H31 | 120.0° | 120.0° |
| H32 | C32 | C33 | H34 | 58.2° | 61.7° |
| H32 | C32 | C33 | H35 | 177.6° | 58.4° |
| H33 | C32 | C33 | H34 | 61.3° | 58.4° |
| H33 | C32 | C33 | H35 | 58.1° | 178.5° |
| H36 | C34 | C35 | H37 | 0.5° | 0.2° |
