LBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C44 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.50Å | 1.50Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.50Å | 1.50Å | |
| C5 | C4 | doub | 1.31Å | 1.35Å | |
| C5 | C7 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C13 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | N | sing | 1.47Å | 1.46Å | |
| C10 | CL | sing | 1.74Å | 1.74Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C17 | sing | 1.47Å | 1.47Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | N1 | sing | 1.47Å | 1.46Å | |
| C15 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C18 | sing | 1.39Å | 1.39Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | O6 | sing | 1.36Å | 1.39Å | |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C37 | sing | 1.36Å | 1.39Å | |
| C21 | C24 | sing | 1.47Å | 1.50Å | |
| C37 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C41 | C40 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | O | doub | 1.22Å | 1.23Å | |
| C24 | N2 | sing | 1.35Å | 1.38Å | |
| C40 | C39 | doub | 1.41Å | 1.42Å | Aromatic |
| C40 | C42 | sing | 1.46Å | 1.43Å | Aromatic |
| N5 | C39 | sing | 1.33Å | 1.34Å | Aromatic |
| C39 | N6 | sing | 1.38Å | 1.36Å | Aromatic |
| C42 | C43 | doub | 1.34Å | 1.36Å | Aromatic |
| N2 | S | sing | 1.66Å | 1.64Å | |
| N6 | C43 | sing | 1.37Å | 1.38Å | Aromatic |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| S | C25 | sing | 1.76Å | 1.76Å | |
| C25 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | N4 | sing | 1.48Å | 1.46Å | |
| O5 | N4 | doub | 1.22Å | 1.22Å | |
| C28 | N3 | sing | 1.40Å | 1.37Å | |
| N4 | O4 | sing | 1.22Å | 1.22Å | |
| N3 | C31 | sing | 1.46Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C36 | C32 | sing | 1.53Å | 1.52Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C35 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C34 | sing | 1.43Å | 1.42Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C41 | H39 | sing | 1.08Å | 1.08Å | |
| C42 | H40 | sing | 1.08Å | 1.08Å | |
| C43 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.08Å | 1.08Å | |
| C9 | H48 | sing | 1.08Å | 1.08Å | |
| N2 | H49 | sing | 0.97Å | 1.00Å | |
| N3 | H50 | sing | 0.97Å | 1.00Å | |
| N6 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.0° | 109.7° |
| C | C1 | C6 | 109.7° | 109.6° |
| C | C1 | C44 | 109.1° | 109.7° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | C | H22 | 109.4° | 109.4° |
| C1 | C | H23 | 109.4° | 109.5° |
| C1 | C2 | C3 | 113.3° | 108.5° |
| C2 | C1 | C6 | 108.3° | 108.4° |
| C2 | C1 | C44 | 110.0° | 109.8° |
| C1 | C2 | H24 | 108.5° | 109.7° |
| C1 | C2 | H25 | 108.5° | 109.6° |
| C2 | C3 | C4 | 108.9° | 110.1° |
| C3 | C2 | H24 | 108.5° | 109.6° |
| C3 | C2 | H25 | 108.5° | 109.6° |
| C2 | C3 | H26 | 109.6° | 109.4° |
| C2 | C3 | H27 | 109.6° | 109.3° |
| C6 | C1 | C44 | 109.8° | 109.6° |
| C1 | C6 | C5 | 116.4° | 110.1° |
| C1 | C6 | H45 | 107.7° | 109.3° |
| C1 | C6 | H46 | 107.7° | 109.4° |
| C1 | C44 | H42 | 109.5° | 109.4° |
| C1 | C44 | H43 | 109.5° | 109.5° |
| C1 | C44 | H44 | 109.5° | 109.5° |
| C6 | C5 | C4 | 123.2° | 123.9° |
| C6 | C5 | C7 | 115.0° | 118.0° |
| C5 | C6 | H45 | 107.7° | 109.3° |
| C5 | C6 | H46 | 107.7° | 109.4° |
| C11 | C12 | C7 | 119.9° | 119.9° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H1 | 119.9° | 120.0° |
| C11 | C12 | H2 | 120.1° | 120.0° |
| C12 | C7 | C5 | 120.3° | 120.1° |
| C12 | C7 | C8 | 119.8° | 119.7° |
| C7 | C12 | H2 | 120.1° | 120.1° |
| C3 | C4 | C5 | 122.2° | 123.8° |
| C3 | C4 | C13 | 119.0° | 118.1° |
| C4 | C3 | H26 | 109.6° | 109.3° |
| C4 | C3 | H27 | 109.6° | 109.4° |
| C4 | C5 | C7 | 121.8° | 118.1° |
| C5 | C4 | C13 | 118.7° | 118.1° |
| C5 | C7 | C8 | 119.9° | 120.1° |
| C11 | C10 | CL | 120.0° | 119.9° |
| C11 | C10 | C9 | 120.0° | 120.2° |
| C10 | C11 | H1 | 119.9° | 119.9° |
| C4 | C13 | N | 111.4° | 109.4° |
| C4 | C13 | H3 | 109.0° | 109.5° |
| C4 | C13 | H4 | 109.0° | 109.4° |
| C7 | C8 | C9 | 119.9° | 119.9° |
| C7 | C8 | H47 | 120.1° | 120.1° |
| C13 | N | C17 | 110.6° | 111.0° |
| C13 | N | C14 | 111.3° | 111.0° |
| N | C13 | H3 | 108.9° | 109.5° |
| N | C13 | H4 | 109.0° | 109.5° |
| CL | C10 | C9 | 120.0° | 119.9° |
| C10 | C9 | C8 | 120.2° | 120.1° |
| C10 | C9 | H48 | 119.9° | 119.9° |
| C9 | C8 | H47 | 120.1° | 120.0° |
| C8 | C9 | H48 | 119.9° | 120.0° |
| C17 | N | C14 | 108.8° | 110.9° |
| N | C17 | C16 | 110.7° | 109.4° |
| N | C17 | H11 | 109.1° | 109.5° |
| N | C17 | H12 | 109.1° | 109.5° |
| N | C14 | C15 | 110.8° | 109.3° |
| N | C14 | H5 | 109.1° | 109.5° |
| N | C14 | H6 | 109.1° | 109.5° |
| C17 | C16 | N1 | 110.2° | 109.4° |
| C17 | C16 | H9 | 109.3° | 109.5° |
| C17 | C16 | H10 | 109.3° | 109.5° |
| C16 | C17 | H11 | 109.2° | 109.5° |
| C16 | C17 | H12 | 109.1° | 109.5° |
| C14 | C15 | N1 | 110.3° | 109.4° |
| C15 | C14 | H5 | 109.1° | 109.5° |
| C15 | C14 | H6 | 109.2° | 109.5° |
| C14 | C15 | H7 | 109.3° | 109.5° |
| C14 | C15 | H8 | 109.3° | 109.5° |
| C16 | N1 | C15 | 111.4° | 110.9° |
| C16 | N1 | C18 | 117.2° | 111.0° |
| N1 | C16 | H9 | 109.3° | 109.5° |
| N1 | C16 | H10 | 109.3° | 109.5° |
| C15 | N1 | C18 | 120.8° | 111.0° |
| N1 | C15 | H7 | 109.2° | 109.5° |
| N1 | C15 | H8 | 109.3° | 109.5° |
| N1 | C18 | C23 | 121.2° | 119.9° |
| N1 | C18 | C19 | 120.5° | 119.9° |
| C23 | C18 | C19 | 118.3° | 120.3° |
| C18 | C23 | C22 | 120.8° | 120.3° |
| C18 | C23 | H15 | 119.6° | 119.8° |
| C18 | C19 | C20 | 120.6° | 119.8° |
| C18 | C19 | H13 | 119.7° | 120.0° |
| C23 | C22 | C21 | 121.1° | 120.1° |
| C23 | C22 | H14 | 119.4° | 119.9° |
| C22 | C23 | H15 | 119.6° | 119.9° |
| C19 | C20 | O6 | 120.4° | 120.2° |
| C19 | C20 | C21 | 121.7° | 119.7° |
| C20 | C19 | H13 | 119.7° | 120.1° |
| C22 | C21 | C20 | 117.5° | 119.8° |
| C22 | C21 | C24 | 119.1° | 120.1° |
| C21 | C22 | H14 | 119.4° | 120.0° |
| O6 | C20 | C21 | 117.9° | 120.2° |
| C20 | O6 | C37 | 119.1° | 118.0° |
| C20 | C21 | C24 | 123.4° | 120.1° |
| O6 | C37 | C41 | 120.4° | 120.4° |
| O6 | C37 | C38 | 119.7° | 120.3° |
| C21 | C24 | O | 121.7° | 120.0° |
| C21 | C24 | N2 | 117.2° | 120.0° |
| C41 | C37 | C38 | 119.9° | 119.3° |
| C37 | C41 | C40 | 118.8° | 118.0° |
| C37 | C41 | H39 | 120.6° | 121.0° |
| C37 | C38 | N5 | 123.2° | 121.5° |
| C37 | C38 | H38 | 118.4° | 119.2° |
| C41 | C40 | C39 | 116.9° | 119.5° |
| C41 | C40 | C42 | 136.9° | 134.2° |
| C40 | C41 | H39 | 120.6° | 121.0° |
| C38 | N5 | C39 | 117.0° | 121.8° |
| N5 | C38 | H38 | 118.4° | 119.3° |
| O | C24 | N2 | 120.9° | 120.0° |
| C24 | N2 | S | 122.8° | 120.0° |
| C24 | N2 | H49 | 118.6° | 120.0° |
| C39 | C40 | C42 | 106.2° | 106.2° |
| C40 | C39 | N5 | 124.2° | 119.9° |
| C40 | C39 | N6 | 108.1° | 107.0° |
| C40 | C42 | C43 | 107.0° | 106.9° |
| C40 | C42 | H40 | 126.5° | 126.6° |
| N5 | C39 | N6 | 127.7° | 133.1° |
| C39 | N6 | C43 | 108.5° | 110.0° |
| C39 | N6 | H51 | 125.7° | 125.0° |
| C42 | C43 | N6 | 110.2° | 109.9° |
| C43 | C42 | H40 | 126.5° | 126.5° |
| C42 | C43 | H41 | 124.9° | 125.1° |
| N2 | S | O1 | 107.3° | 106.4° |
| N2 | S | O2 | 106.9° | 106.4° |
| N2 | S | C25 | 105.6° | 107.2° |
| S | N2 | H49 | 118.5° | 120.0° |
| N6 | C43 | H41 | 124.9° | 125.0° |
| C43 | N6 | H51 | 125.8° | 125.0° |
| O1 | S | O2 | 119.6° | 123.2° |
| O1 | S | C25 | 108.3° | 106.4° |
| O2 | S | C25 | 108.4° | 106.4° |
| S | C25 | C30 | 120.2° | 119.9° |
| S | C25 | C26 | 118.9° | 119.9° |
| C30 | C25 | C26 | 120.9° | 120.2° |
| C25 | C30 | C29 | 119.5° | 120.1° |
| C25 | C30 | H28 | 120.3° | 120.0° |
| C25 | C26 | C27 | 119.1° | 120.1° |
| C25 | C26 | H16 | 120.5° | 120.0° |
| C30 | C29 | C28 | 122.0° | 119.9° |
| C30 | C29 | H17 | 119.0° | 120.0° |
| C29 | C30 | H28 | 120.2° | 119.9° |
| C26 | C27 | C28 | 122.0° | 119.9° |
| C26 | C27 | N4 | 115.8° | 120.0° |
| C27 | C26 | H16 | 120.4° | 119.9° |
| C29 | C28 | C27 | 116.5° | 119.9° |
| C29 | C28 | N3 | 120.9° | 120.1° |
| C28 | C29 | H17 | 119.0° | 120.0° |
| C28 | C27 | N4 | 122.2° | 120.1° |
| C27 | C28 | N3 | 122.5° | 120.0° |
| C27 | N4 | O5 | 118.2° | 120.0° |
| C27 | N4 | O4 | 118.4° | 120.0° |
| O5 | N4 | O4 | 123.4° | 120.0° |
| C28 | N3 | C31 | 124.2° | 120.0° |
| C28 | N3 | H50 | 105.7° | 120.0° |
| N3 | C31 | C32 | 109.0° | 109.5° |
| N3 | C31 | H18 | 109.6° | 109.5° |
| N3 | C31 | H19 | 109.6° | 109.4° |
| C31 | N3 | H50 | 105.7° | 120.1° |
| C31 | C32 | C36 | 110.9° | 109.5° |
| C31 | C32 | C33 | 111.8° | 109.6° |
| C32 | C31 | H18 | 109.6° | 109.5° |
| C32 | C31 | H19 | 109.6° | 109.5° |
| C31 | C32 | H29 | 108.4° | 109.5° |
| C32 | C36 | C35 | 109.8° | 109.2° |
| C36 | C32 | C33 | 109.0° | 109.0° |
| C36 | C32 | H29 | 108.3° | 109.6° |
| C32 | C36 | H36 | 109.4° | 109.5° |
| C32 | C36 | H37 | 109.4° | 109.6° |
| C36 | C35 | O3 | 111.1° | 109.4° |
| C36 | C35 | H34 | 109.1° | 109.5° |
| C36 | C35 | H35 | 109.1° | 109.5° |
| C35 | C36 | H36 | 109.4° | 109.5° |
| C35 | C36 | H37 | 109.4° | 109.5° |
| C32 | C33 | C34 | 109.8° | 109.2° |
| C33 | C32 | H29 | 108.3° | 109.6° |
| C32 | C33 | H30 | 109.4° | 109.5° |
| C32 | C33 | H31 | 109.4° | 109.6° |
| C33 | C34 | O3 | 111.2° | 109.4° |
| C34 | C33 | H30 | 109.4° | 109.5° |
| C34 | C33 | H31 | 109.4° | 109.5° |
| C33 | C34 | H32 | 109.1° | 109.5° |
| C33 | C34 | H33 | 109.0° | 109.5° |
| C35 | O3 | C34 | 110.1° | 114.1° |
| O3 | C35 | H34 | 109.1° | 109.5° |
| O3 | C35 | H35 | 109.1° | 109.5° |
| O3 | C34 | H32 | 109.1° | 109.5° |
| O3 | C34 | H33 | 109.0° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H18 | C31 | H19 | 109.4° | 109.5° |
| H21 | C | H22 | 109.5° | 109.5° |
| H21 | C | H23 | 109.5° | 109.5° |
| H22 | C | H23 | 109.5° | 109.5° |
| H24 | C2 | H25 | 109.5° | 109.8° |
| H26 | C3 | H27 | 109.4° | 109.2° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H32 | C34 | H33 | 109.4° | 109.4° |
| H34 | C35 | H35 | 109.4° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H42 | C44 | H43 | 109.5° | 109.4° |
| H42 | C44 | H44 | 109.5° | 109.5° |
| H43 | C44 | H44 | 109.4° | 109.5° |
| H45 | C6 | H46 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 119.9° | 119.7° |
| C | C1 | C2 | C44 | 120.2° | 120.6° |
| C | C1 | C2 | C3 | 179.0° | 51.7° |
| C | C1 | C6 | C44 | 119.9° | 120.4° |
| C | C1 | C6 | C5 | 152.2° | 70.0° |
| C1 | C | H21 | H22 | 120.0° | 119.9° |
| C1 | C | H21 | H23 | 120.0° | 120.1° |
| C1 | C | H22 | H23 | 119.9° | 120.0° |
| C | C1 | C2 | H24 | 60.4° | 171.5° |
| C | C1 | C2 | H25 | 58.4° | 67.9° |
| C | C1 | C44 | H42 | 180.0° | 60.1° |
| C | C1 | C44 | H43 | 60.0° | 180.0° |
| C | C1 | C44 | H44 | 60.0° | 60.0° |
| C | C1 | C6 | H45 | 31.2° | 50.1° |
| C | C1 | C6 | H46 | 86.8° | 169.8° |
| C1 | C2 | C3 | H24 | 120.6° | 119.8° |
| C1 | C2 | C3 | H25 | 120.6° | 119.7° |
| C2 | C1 | C6 | C44 | 120.1° | 119.9° |
| C2 | C1 | C6 | C5 | 32.1° | 49.7° |
| C1 | C2 | C3 | C4 | 54.8° | 49.8° |
| C2 | C1 | C | H21 | 180.0° | 58.9° |
| C2 | C1 | C | H22 | 60.0° | 61.0° |
| C2 | C1 | C | H23 | 60.0° | 179.0° |
| C1 | C2 | H24 | H25 | 118.2° | 120.5° |
| C1 | C2 | C3 | H26 | 65.2° | 169.9° |
| C1 | C2 | C3 | H27 | 174.7° | 70.5° |
| C2 | C1 | C44 | H42 | 59.2° | 60.5° |
| C2 | C1 | C44 | H43 | 179.2° | 59.4° |
| C2 | C1 | C44 | H44 | 60.8° | 179.5° |
| C2 | C1 | C6 | H45 | 88.9° | 169.8° |
| C2 | C1 | C6 | H46 | 153.1° | 70.5° |
| C3 | C2 | C1 | C6 | 59.1° | 68.0° |
| C3 | C2 | C1 | C44 | 60.8° | 172.3° |
| C2 | C3 | C4 | H26 | 119.9° | 120.2° |
| C2 | C3 | C4 | H27 | 119.9° | 120.2° |
| C2 | C3 | C4 | C5 | 23.8° | 17.2° |
| C2 | C3 | C4 | C13 | 153.5° | 162.9° |
| C3 | C2 | H24 | H25 | 118.3° | 120.4° |
| C2 | C3 | H26 | H27 | 120.2° | 119.6° |
| C1 | C6 | C5 | H45 | 121.0° | 120.1° |
| C1 | C6 | C5 | H46 | 121.0° | 120.2° |
| C1 | C6 | C5 | C4 | 3.7° | 17.3° |
| C1 | C6 | C5 | C7 | 178.4° | 162.8° |
| C6 | C1 | C | H21 | 61.0° | 60.0° |
| C6 | C1 | C | H22 | 59.0° | 180.0° |
| C6 | C1 | C | H23 | 179.0° | 60.0° |
| C6 | C1 | C2 | H24 | 179.7° | 51.8° |
| C6 | C1 | C2 | H25 | 61.4° | 172.4° |
| C6 | C1 | C44 | H42 | 59.8° | 179.6° |
| C6 | C1 | C44 | H43 | 60.2° | 59.6° |
| C6 | C1 | C44 | H44 | 179.8° | 60.4° |
| C1 | C6 | H45 | H46 | 116.9° | 119.7° |
| C44 | C1 | C6 | C5 | 87.9° | 169.6° |
| C44 | C1 | C | H21 | 59.3° | 179.6° |
| C44 | C1 | C | H22 | 179.3° | 59.6° |
| C44 | C1 | C | H23 | 60.7° | 60.3° |
| C44 | C1 | C2 | H24 | 59.8° | 68.0° |
| C44 | C1 | C2 | H25 | 178.6° | 52.6° |
| C1 | C44 | H42 | H43 | 120.0° | 120.0° |
| C1 | C44 | H42 | H44 | 120.0° | 120.0° |
| C1 | C44 | H43 | H44 | 120.0° | 120.0° |
| C44 | C1 | C6 | H45 | 151.1° | 70.3° |
| C44 | C1 | C6 | H46 | 33.1° | 49.4° |
| C6 | C5 | C7 | C12 | 90.3° | 115.1° |
| C6 | C5 | C4 | C3 | 0.9° | 0.5° |
| C6 | C5 | C4 | C7 | 177.8° | 179.9° |
| C6 | C5 | C4 | C13 | 178.3° | 179.5° |
| C6 | C5 | C7 | C8 | 88.9° | 65.0° |
| C5 | C6 | H45 | H46 | 116.8° | 119.7° |
| C11 | C12 | C7 | H2 | 180.0° | 180.0° |
| C11 | C12 | C7 | C5 | 179.1° | 180.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C7 | C8 | 0.1° | 0.0° |
| C12 | C11 | C10 | CL | 179.6° | 179.7° |
| C12 | C11 | C10 | C9 | 0.2° | 0.3° |
| C12 | C7 | C5 | C4 | 87.6° | 65.0° |
| C12 | C7 | C5 | C8 | 179.2° | 179.9° |
| C7 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C12 | C11 | H1 | 179.9° | 179.7° |
| C12 | C7 | C8 | H47 | 179.9° | 180.0° |
| C3 | C4 | C5 | C13 | 177.4° | 179.9° |
| C3 | C4 | C5 | C7 | 176.8° | 179.5° |
| C3 | C4 | C13 | N | 52.5° | 85.0° |
| C3 | C4 | C13 | H3 | 67.8° | 155.0° |
| C3 | C4 | C13 | H4 | 172.8° | 34.9° |
| C4 | C3 | C2 | H24 | 175.3° | 70.0° |
| C4 | C3 | C2 | H25 | 65.8° | 169.5° |
| C4 | C3 | H26 | H27 | 120.3° | 119.7° |
| C4 | C5 | C7 | C8 | 93.1° | 115.0° |
| C5 | C4 | C13 | N | 130.0° | 95.0° |
| C5 | C4 | C13 | H3 | 109.7° | 24.9° |
| C5 | C4 | C13 | H4 | 9.8° | 145.0° |
| C5 | C4 | C3 | H26 | 96.1° | 137.4° |
| C5 | C4 | C3 | H27 | 143.8° | 103.0° |
| C4 | C5 | C6 | H45 | 117.4° | 137.4° |
| C4 | C5 | C6 | H46 | 124.7° | 103.0° |
| C7 | C5 | C4 | C13 | 0.5° | 0.4° |
| C5 | C7 | C8 | C9 | 179.1° | 179.7° |
| C5 | C7 | C12 | H2 | 0.9° | 0.0° |
| C7 | C5 | C6 | H45 | 60.6° | 42.7° |
| C7 | C5 | C6 | H46 | 57.4° | 77.0° |
| C5 | C7 | C8 | H47 | 0.9° | 0.1° |
| C11 | C10 | CL | C9 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.6° |
| C10 | C11 | C12 | H2 | 179.9° | 180.0° |
| C11 | C10 | C9 | H48 | 179.8° | 180.0° |
| C4 | C13 | N | H3 | 120.3° | 120.0° |
| C4 | C13 | N | H4 | 120.3° | 120.0° |
| C4 | C13 | N | C17 | 176.4° | 170.0° |
| C4 | C13 | N | C14 | 62.5° | 66.2° |
| C4 | C13 | H3 | H4 | 119.1° | 120.0° |
| C13 | C4 | C3 | H26 | 86.5° | 42.7° |
| C13 | C4 | C3 | H27 | 33.6° | 76.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.6° |
| C7 | C8 | C9 | H47 | 180.0° | 179.7° |
| C8 | C7 | C12 | H2 | 179.9° | 180.0° |
| C7 | C8 | C9 | H48 | 180.0° | 180.0° |
| C13 | N | C17 | C14 | 122.6° | 123.9° |
| C13 | N | C17 | C16 | 177.9° | 176.8° |
| C13 | N | C14 | C15 | 178.9° | 176.8° |
| N | C13 | H3 | H4 | 119.1° | 120.0° |
| C13 | N | C14 | H5 | 60.9° | 56.9° |
| C13 | N | C14 | H6 | 58.7° | 63.2° |
| C13 | N | C17 | H11 | 57.7° | 63.2° |
| C13 | N | C17 | H12 | 61.9° | 56.8° |
| CL | C10 | C9 | C8 | 179.7° | 179.4° |
| CL | C10 | C11 | H1 | 0.4° | 0.0° |
| CL | C10 | C9 | H48 | 0.3° | 0.0° |
| C10 | C9 | C8 | H48 | 180.0° | 179.4° |
| C9 | C10 | C11 | H1 | 179.7° | 180.0° |
| C10 | C9 | C8 | H47 | 180.0° | 179.7° |
| N | C17 | C16 | H11 | 120.2° | 119.9° |
| N | C17 | C16 | H12 | 120.2° | 120.0° |
| C17 | N | C14 | C15 | 59.0° | 59.3° |
| N | C17 | C16 | N1 | 58.3° | 58.4° |
| C17 | N | C13 | H3 | 56.1° | 70.0° |
| C17 | N | C13 | H4 | 63.3° | 50.0° |
| C17 | N | C14 | H5 | 61.2° | 179.2° |
| C17 | N | C14 | H6 | 179.2° | 60.7° |
| N | C17 | C16 | H9 | 61.8° | 61.6° |
| N | C17 | C16 | H10 | 178.4° | 178.4° |
| N | C17 | H11 | H12 | 119.4° | 120.0° |
| C14 | N | C17 | C16 | 59.5° | 59.3° |
| N | C14 | C15 | H5 | 120.2° | 119.9° |
| N | C14 | C15 | H6 | 120.2° | 120.0° |
| N | C14 | C15 | N1 | 57.4° | 58.4° |
| C14 | N | C13 | H3 | 177.2° | 53.8° |
| C14 | N | C13 | H4 | 57.8° | 173.9° |
| N | C14 | H5 | H6 | 119.4° | 120.1° |
| N | C14 | C15 | H7 | 177.5° | 178.4° |
| N | C14 | C15 | H8 | 62.8° | 61.7° |
| C14 | N | C17 | H11 | 179.8° | 60.7° |
| C14 | N | C17 | H12 | 60.6° | 179.3° |
| C17 | C16 | N1 | H9 | 120.1° | 120.0° |
| C17 | C16 | N1 | H10 | 120.1° | 120.0° |
| C17 | C16 | N1 | C15 | 56.2° | 59.3° |
| C17 | C16 | N1 | C18 | 158.8° | 176.8° |
| C17 | C16 | H9 | H10 | 119.7° | 120.1° |
| C16 | C17 | H11 | H12 | 119.4° | 120.1° |
| C14 | C15 | N1 | C16 | 55.7° | 59.3° |
| C14 | C15 | N1 | H7 | 120.1° | 120.0° |
| C14 | C15 | N1 | H8 | 120.1° | 120.0° |
| C14 | C15 | N1 | C18 | 160.7° | 176.8° |
| C15 | C14 | H5 | H6 | 119.4° | 120.1° |
| C14 | C15 | H7 | H8 | 119.6° | 120.0° |
| C16 | N1 | C15 | C18 | 143.6° | 123.9° |
| C16 | N1 | C18 | C23 | 142.1° | 123.8° |
| C16 | N1 | C18 | C19 | 38.7° | 56.2° |
| C16 | N1 | C15 | H7 | 175.8° | 179.3° |
| C16 | N1 | C15 | H8 | 64.4° | 60.7° |
| N1 | C16 | H9 | H10 | 119.6° | 120.0° |
| N1 | C16 | C17 | H11 | 178.5° | 61.6° |
| N1 | C16 | C17 | H12 | 61.9° | 178.4° |
| C15 | N1 | C18 | C23 | 0.5° | 0.0° |
| C15 | N1 | C18 | C19 | 179.7° | 179.9° |
| N1 | C15 | C14 | H5 | 62.8° | 178.3° |
| N1 | C15 | C14 | H6 | 177.5° | 61.6° |
| N1 | C15 | H7 | H8 | 119.6° | 120.0° |
| C15 | N1 | C16 | H9 | 63.9° | 60.7° |
| C15 | N1 | C16 | H10 | 176.3° | 179.3° |
| N1 | C18 | C23 | C19 | 179.2° | 179.9° |
| N1 | C18 | C23 | C22 | 179.0° | 179.5° |
| N1 | C18 | C19 | C20 | 178.7° | 180.0° |
| C18 | N1 | C15 | H7 | 40.6° | 56.8° |
| C18 | N1 | C15 | H8 | 79.2° | 63.2° |
| C18 | N1 | C16 | H9 | 81.1° | 63.2° |
| C18 | N1 | C16 | H10 | 38.7° | 56.8° |
| N1 | C18 | C19 | H13 | 1.3° | 0.3° |
| N1 | C18 | C23 | H15 | 1.0° | 0.3° |
| C18 | C23 | C22 | H15 | 180.0° | 179.1° |
| C23 | C18 | C19 | C20 | 0.5° | 0.1° |
| C18 | C23 | C22 | C21 | 0.1° | 0.8° |
| C23 | C18 | C19 | H13 | 179.5° | 179.7° |
| C18 | C23 | C22 | H14 | 179.9° | 179.7° |
| C19 | C18 | C23 | C22 | 0.3° | 0.6° |
| C18 | C19 | C20 | H13 | 180.0° | 179.8° |
| C18 | C19 | C20 | O6 | 179.2° | 179.8° |
| C18 | C19 | C20 | C21 | 0.5° | 0.2° |
| C19 | C18 | C23 | H15 | 179.7° | 179.7° |
| C23 | C22 | C21 | H14 | 180.0° | 179.5° |
| C23 | C22 | C21 | C20 | 0.2° | 0.5° |
| C23 | C22 | C21 | C24 | 179.4° | 179.5° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | O6 | C21 | 179.7° | 179.9° |
| C19 | C20 | O6 | C37 | 88.6° | 5.4° |
| C19 | C20 | C21 | C24 | 179.7° | 180.0° |
| C22 | C21 | C20 | O6 | 179.6° | 180.0° |
| C22 | C21 | C20 | C24 | 179.6° | 179.9° |
| C22 | C21 | C24 | O | 148.7° | 180.0° |
| C22 | C21 | C24 | N2 | 35.3° | 0.1° |
| C21 | C22 | C23 | H15 | 179.9° | 180.0° |
| O6 | C20 | C21 | C24 | 0.0° | 0.1° |
| C20 | O6 | C37 | C41 | 14.4° | 104.0° |
| C20 | O6 | C37 | C38 | 164.8° | 76.3° |
| O6 | C20 | C19 | H13 | 0.8° | 0.0° |
| C21 | C20 | O6 | C37 | 91.1° | 174.6° |
| C20 | C21 | C24 | O | 31.7° | 0.1° |
| C20 | C21 | C24 | N2 | 144.3° | 180.0° |
| C21 | C20 | C19 | H13 | 179.5° | 180.0° |
| C20 | C21 | C22 | H14 | 179.8° | 179.9° |
| O6 | C37 | C41 | C38 | 179.2° | 179.7° |
| O6 | C37 | C41 | C40 | 178.7° | 179.7° |
| O6 | C37 | C38 | N5 | 178.6° | 179.7° |
| O6 | C37 | C38 | H38 | 1.4° | 0.4° |
| O6 | C37 | C41 | H39 | 1.3° | 0.2° |
| C21 | C24 | O | N2 | 175.9° | 179.9° |
| C21 | C24 | N2 | S | 165.0° | 180.0° |
| C24 | C21 | C22 | H14 | 0.6° | 0.0° |
| C21 | C24 | N2 | H49 | 15.0° | 0.0° |
| C37 | C41 | C40 | H39 | 180.0° | 179.9° |
| C41 | C37 | C38 | N5 | 0.6° | 0.0° |
| C37 | C41 | C40 | C39 | 0.1° | 0.1° |
| C37 | C41 | C40 | C42 | 178.4° | 180.0° |
| C41 | C37 | C38 | H38 | 179.4° | 179.9° |
| C38 | C37 | C41 | C40 | 0.5° | 0.0° |
| C37 | C38 | N5 | H38 | 180.0° | 179.9° |
| C37 | C38 | N5 | C39 | 0.1° | 0.0° |
| C38 | C37 | C41 | H39 | 179.5° | 179.9° |
| C41 | C40 | C39 | C42 | 178.8° | 180.0° |
| C41 | C40 | C39 | N5 | 0.6° | 0.1° |
| C41 | C40 | C39 | N6 | 178.8° | 180.0° |
| C41 | C40 | C42 | C43 | 178.3° | 180.0° |
| C41 | C40 | C42 | H40 | 1.7° | 0.1° |
| C38 | N5 | C39 | C40 | 0.5° | 0.1° |
| C38 | N5 | C39 | N6 | 178.7° | 180.0° |
| O | C24 | N2 | S | 11.0° | 0.1° |
| O | C24 | N2 | H49 | 169.0° | 179.9° |
| C24 | N2 | S | H49 | 180.0° | 180.0° |
| C24 | N2 | S | O1 | 48.9° | 48.5° |
| C24 | N2 | S | O2 | 178.3° | 178.6° |
| C24 | N2 | S | C25 | 66.4° | 65.0° |
| C40 | C39 | N5 | N6 | 179.2° | 179.9° |
| C39 | C40 | C42 | C43 | 0.1° | 0.0° |
| C40 | C39 | N6 | C43 | 0.1° | 0.0° |
| C39 | C40 | C41 | H39 | 179.9° | 180.0° |
| C39 | C40 | C42 | H40 | 179.9° | 180.0° |
| C40 | C39 | N6 | H51 | 180.0° | 180.0° |
| C42 | C40 | C39 | N5 | 179.4° | 179.9° |
| C42 | C40 | C39 | N6 | 0.0° | 0.0° |
| C40 | C42 | C43 | H40 | 180.0° | 179.9° |
| C40 | C42 | C43 | N6 | 0.2° | 0.1° |
| C42 | C40 | C41 | H39 | 1.6° | 0.1° |
| C40 | C42 | C43 | H41 | 179.8° | 180.0° |
| N5 | C39 | N6 | C43 | 179.3° | 179.9° |
| C39 | N5 | C38 | H38 | 179.8° | 179.9° |
| N5 | C39 | N6 | H51 | 0.7° | 0.1° |
| C39 | N6 | C43 | C42 | 0.1° | 0.0° |
| C39 | N6 | C43 | H51 | 180.0° | 180.0° |
| C39 | N6 | C43 | H41 | 179.9° | 180.0° |
| C42 | C43 | N6 | H41 | 180.0° | 179.9° |
| C42 | C43 | N6 | H51 | 179.9° | 180.0° |
| N2 | S | O1 | O2 | 121.8° | 122.9° |
| N2 | S | O1 | C25 | 113.5° | 114.1° |
| N2 | S | O2 | C25 | 113.4° | 114.1° |
| N2 | S | C25 | C30 | 89.8° | 90.0° |
| N2 | S | C25 | C26 | 88.5° | 89.7° |
| N6 | C43 | C42 | H40 | 179.8° | 180.0° |
| O1 | S | O2 | C25 | 124.7° | 123.0° |
| O1 | S | C25 | C30 | 24.8° | 156.5° |
| O1 | S | C25 | C26 | 156.9° | 23.8° |
| O1 | S | N2 | H49 | 131.1° | 131.5° |
| O2 | S | C25 | C30 | 155.9° | 23.5° |
| O2 | S | C25 | C26 | 25.8° | 156.8° |
| O2 | S | N2 | H49 | 1.7° | 1.4° |
| S | C25 | C30 | C26 | 178.3° | 179.7° |
| S | C25 | C30 | C29 | 177.8° | 179.8° |
| S | C25 | C26 | C27 | 177.7° | 179.8° |
| S | C25 | C26 | H16 | 2.3° | 0.3° |
| S | C25 | C30 | H28 | 2.2° | 0.3° |
| C25 | S | N2 | H49 | 113.6° | 115.0° |
| C25 | C30 | C29 | H28 | 180.0° | 179.9° |
| C30 | C25 | C26 | C27 | 0.6° | 0.0° |
| C25 | C30 | C29 | C28 | 0.2° | 0.0° |
| C30 | C25 | C26 | H16 | 179.4° | 179.9° |
| C25 | C30 | C29 | H17 | 179.8° | 180.0° |
| C26 | C25 | C30 | C29 | 0.5° | 0.0° |
| C25 | C26 | C27 | H16 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C25 | C26 | C27 | N4 | 178.9° | 180.0° |
| C26 | C25 | C30 | H28 | 179.5° | 180.0° |
| C30 | C29 | C28 | H17 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C30 | C29 | C28 | N3 | 179.7° | 179.9° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | N4 | 179.3° | 180.0° |
| C26 | C27 | N4 | O5 | 2.4° | 38.7° |
| C26 | C27 | C28 | N3 | 179.6° | 180.0° |
| C26 | C27 | N4 | O4 | 177.6° | 141.4° |
| C29 | C28 | C27 | N3 | 179.8° | 180.0° |
| C29 | C28 | C27 | N4 | 179.1° | 180.0° |
| C29 | C28 | N3 | C31 | 0.3° | 1.9° |
| C28 | C29 | C30 | H28 | 179.8° | 180.0° |
| C29 | C28 | N3 | H50 | 122.3° | 178.1° |
| C28 | C27 | N4 | O5 | 177.0° | 141.3° |
| C28 | C27 | N4 | O4 | 3.1° | 38.6° |
| C27 | C28 | N3 | C31 | 180.0° | 178.1° |
| C28 | C27 | C26 | H16 | 179.6° | 179.9° |
| C27 | C28 | C29 | H17 | 179.9° | 180.0° |
| C27 | C28 | N3 | H50 | 58.0° | 1.9° |
| C27 | N4 | O5 | O4 | 180.0° | 179.9° |
| N4 | C27 | C28 | N3 | 1.1° | 0.0° |
| N4 | C27 | C26 | H16 | 1.1° | 0.1° |
| C28 | N3 | C31 | H50 | 122.0° | 180.0° |
| C28 | N3 | C31 | C32 | 157.6° | 180.0° |
| N3 | C28 | C29 | H17 | 0.3° | 0.0° |
| C28 | N3 | C31 | H18 | 37.7° | 60.0° |
| C28 | N3 | C31 | H19 | 82.4° | 60.0° |
| N3 | C31 | C32 | H18 | 119.9° | 120.0° |
| N3 | C31 | C32 | H19 | 120.0° | 120.0° |
| N3 | C31 | C32 | C36 | 57.8° | 65.4° |
| N3 | C31 | C32 | C33 | 179.7° | 175.0° |
| N3 | C31 | H18 | H19 | 120.2° | 120.0° |
| N3 | C31 | C32 | H29 | 61.0° | 54.8° |
| C31 | C32 | C36 | C33 | 123.6° | 119.9° |
| C31 | C32 | C36 | H29 | 118.8° | 120.2° |
| C31 | C32 | C36 | C35 | 177.3° | 176.8° |
| C31 | C32 | C33 | H29 | 119.3° | 120.2° |
| C31 | C32 | C33 | C34 | 176.6° | 176.8° |
| C32 | C31 | H18 | H19 | 120.2° | 120.0° |
| C31 | C32 | C33 | H30 | 63.4° | 63.3° |
| C31 | C32 | C33 | H31 | 56.6° | 56.9° |
| C31 | C32 | C36 | H36 | 57.3° | 56.9° |
| C31 | C32 | C36 | H37 | 62.6° | 63.2° |
| C32 | C31 | N3 | H50 | 80.4° | 0.0° |
| C32 | C36 | C35 | H36 | 120.1° | 119.9° |
| C32 | C36 | C35 | H37 | 120.0° | 120.0° |
| C36 | C32 | C33 | H29 | 117.6° | 119.9° |
| C36 | C32 | C33 | C34 | 53.5° | 57.0° |
| C32 | C36 | C35 | O3 | 58.6° | 57.6° |
| C36 | C32 | C31 | H18 | 177.7° | 54.6° |
| C36 | C32 | C31 | H19 | 62.2° | 174.6° |
| C36 | C32 | C33 | H30 | 173.6° | 176.9° |
| C36 | C32 | C33 | H31 | 66.5° | 63.0° |
| C32 | C36 | C35 | H34 | 178.9° | 177.6° |
| C32 | C36 | C35 | H35 | 61.6° | 62.4° |
| C32 | C36 | H36 | H37 | 119.9° | 120.2° |
| C35 | C36 | C32 | C33 | 53.7° | 56.9° |
| C36 | C35 | O3 | H34 | 120.3° | 120.0° |
| C36 | C35 | O3 | H35 | 120.2° | 120.0° |
| C36 | C35 | O3 | C34 | 62.5° | 61.1° |
| C35 | C36 | C32 | H29 | 63.9° | 62.9° |
| C36 | C35 | H34 | H35 | 119.2° | 120.0° |
| C35 | C36 | H36 | H37 | 119.9° | 120.1° |
| C32 | C33 | C34 | H30 | 120.0° | 119.9° |
| C32 | C33 | C34 | H31 | 120.0° | 120.0° |
| C32 | C33 | C34 | O3 | 58.3° | 57.6° |
| C33 | C32 | C31 | H18 | 60.3° | 65.0° |
| C33 | C32 | C31 | H19 | 59.8° | 55.0° |
| C32 | C33 | H30 | H31 | 119.9° | 120.2° |
| C32 | C33 | C34 | H32 | 62.0° | 62.4° |
| C32 | C33 | C34 | H33 | 178.5° | 177.6° |
| C33 | C32 | C36 | H36 | 66.3° | 63.0° |
| C33 | C32 | C36 | H37 | 173.8° | 176.9° |
| C33 | C34 | O3 | C35 | 62.3° | 61.1° |
| C33 | C34 | O3 | H32 | 120.3° | 120.0° |
| C33 | C34 | O3 | H33 | 120.3° | 120.0° |
| C34 | C33 | C32 | H29 | 64.1° | 62.9° |
| C34 | C33 | H30 | H31 | 119.9° | 120.1° |
| C33 | C34 | H32 | H33 | 119.2° | 120.1° |
| C35 | O3 | C34 | H32 | 58.0° | 58.9° |
| C35 | O3 | C34 | H33 | 177.4° | 178.8° |
| O3 | C35 | H34 | H35 | 119.2° | 120.0° |
| O3 | C35 | C36 | H36 | 61.4° | 62.3° |
| O3 | C35 | C36 | H37 | 178.6° | 177.6° |
| O3 | C34 | C33 | H30 | 178.3° | 177.5° |
| O3 | C34 | C33 | H31 | 61.8° | 62.4° |
| O3 | C34 | H32 | H33 | 119.2° | 120.0° |
| C34 | O3 | C35 | H34 | 177.3° | 178.9° |
| C34 | O3 | C35 | H35 | 57.8° | 58.9° |
| H1 | C11 | C12 | H2 | 0.1° | 0.3° |
| H5 | C14 | C15 | H7 | 57.3° | 61.7° |
| H5 | C14 | C15 | H8 | 177.1° | 58.3° |
| H6 | C14 | C15 | H7 | 62.3° | 58.4° |
| H6 | C14 | C15 | H8 | 57.4° | 178.4° |
| H9 | C16 | C17 | H11 | 58.4° | 178.5° |
| H9 | C16 | C17 | H12 | 178.1° | 58.4° |
| H10 | C16 | C17 | H11 | 61.4° | 58.4° |
| H10 | C16 | C17 | H12 | 58.3° | 61.6° |
| H14 | C22 | C23 | H15 | 0.1° | 0.5° |
| H17 | C29 | C30 | H28 | 0.2° | 0.1° |
| H18 | C31 | C32 | H29 | 59.0° | 174.8° |
| H18 | C31 | N3 | H50 | 159.7° | 120.0° |
| H19 | C31 | C32 | H29 | 179.1° | 65.2° |
| H19 | C31 | N3 | H50 | 39.5° | 120.0° |
| H21 | C | H22 | H23 | 120.0° | 120.0° |
| H24 | C2 | C3 | H26 | 55.4° | 50.1° |
| H24 | C2 | C3 | H27 | 64.7° | 169.7° |
| H25 | C2 | C3 | H26 | 174.3° | 70.4° |
| H25 | C2 | C3 | H27 | 54.2° | 49.2° |
| H29 | C32 | C33 | H30 | 56.0° | 57.0° |
| H29 | C32 | C33 | H31 | 175.9° | 177.1° |
| H29 | C32 | C36 | H36 | 176.1° | 177.2° |
| H29 | C32 | C36 | H37 | 56.2° | 57.0° |
| H30 | C33 | C34 | H32 | 58.0° | 57.6° |
| H30 | C33 | C34 | H33 | 61.4° | 62.5° |
| H31 | C33 | C34 | H32 | 177.9° | 177.6° |
| H31 | C33 | C34 | H33 | 58.5° | 57.6° |
| H34 | C35 | C36 | H36 | 58.8° | 57.7° |
| H34 | C35 | C36 | H37 | 61.1° | 62.4° |
| H35 | C35 | C36 | H36 | 178.3° | 177.7° |
| H35 | C35 | C36 | H37 | 58.4° | 57.6° |
| H40 | C42 | C43 | H41 | 0.2° | 0.1° |
| H41 | C43 | N6 | H51 | 0.1° | 0.0° |
| H42 | C44 | H43 | H44 | 120.0° | 120.0° |
| H47 | C8 | C9 | H48 | 0.0° | 0.4° |
