7LT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.58Å | |
| O3 | C21 | doub | 1.21Å | 1.23Å | |
| C29 | C27 | sing | 1.51Å | 1.51Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| C21 | N | sing | 1.36Å | 1.35Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N | C1 | sing | 1.48Å | 1.47Å | |
| O2 | C18 | doub | 1.21Å | 1.23Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C22 | sing | 1.53Å | 1.54Å | |
| C19 | N4 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | CL | sing | 1.74Å | 1.73Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C18 | N4 | sing | 1.36Å | 1.34Å | |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| O | C6 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| N3 | C16 | sing | 1.33Å | 1.37Å | |
| N3 | C15 | sing | 1.39Å | 1.43Å | |
| O1 | C16 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C7 | sing | 1.50Å | 1.54Å | |
| C15 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C37 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | N2 | sing | 1.36Å | 1.34Å | |
| C40 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N2 | sing | 1.48Å | 1.46Å | |
| C7 | C8 | sing | 1.52Å | 1.53Å | |
| C38 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.51Å | |
| C41 | CL1 | sing | 1.74Å | 1.74Å | |
| C41 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.52Å | 1.54Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C42 | H30 | sing | 1.08Å | 1.08Å | |
| C43 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.09Å | 1.10Å | |
| N1 | H35 | sing | 1.01Å | 1.00Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| C | H43 | sing | 1.09Å | 1.10Å | |
| C | H44 | sing | 1.09Å | 1.10Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.08Å | 1.08Å | |
| C25 | H47 | sing | 1.08Å | 1.08Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C36 | H50 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C33 | C32 | 120.2° | 120.0° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C34 | C33 | H25 | 119.9° | 119.9° |
| C33 | C34 | H26 | 120.2° | 120.0° |
| C33 | C32 | C31 | 120.8° | 120.0° |
| C33 | C32 | H24 | 119.6° | 120.0° |
| C32 | C33 | H25 | 119.9° | 120.0° |
| C34 | C35 | C36 | 120.2° | 120.0° |
| C35 | C34 | H26 | 120.2° | 120.0° |
| C34 | C35 | H27 | 119.9° | 120.0° |
| C32 | C31 | C36 | 118.4° | 120.0° |
| C32 | C31 | C30 | 120.9° | 120.0° |
| C31 | C32 | H24 | 119.6° | 120.1° |
| C35 | C36 | C31 | 120.8° | 120.0° |
| C36 | C35 | H27 | 119.9° | 120.0° |
| C35 | C36 | H50 | 119.6° | 120.0° |
| C36 | C31 | C30 | 120.7° | 120.0° |
| C31 | C36 | H50 | 119.6° | 120.0° |
| C31 | C30 | C29 | 111.5° | 109.5° |
| C31 | C30 | H22 | 109.0° | 109.5° |
| C31 | C30 | H23 | 109.0° | 109.5° |
| C30 | C29 | C27 | 114.3° | 109.5° |
| C29 | C30 | H22 | 109.0° | 109.5° |
| C29 | C30 | H23 | 109.0° | 109.4° |
| C30 | C29 | H48 | 108.3° | 109.5° |
| C30 | C29 | H49 | 108.2° | 109.4° |
| O3 | C21 | N | 121.5° | 120.5° |
| O3 | C21 | C20 | 120.0° | 120.5° |
| C29 | C27 | C28 | 117.7° | 120.0° |
| C29 | C27 | C26 | 125.1° | 120.0° |
| C27 | C29 | H48 | 108.2° | 109.5° |
| C27 | C29 | H49 | 108.2° | 109.5° |
| C | N | C21 | 121.3° | 121.9° |
| C | N | C1 | 117.2° | 121.8° |
| N | C | H43 | 109.5° | 109.5° |
| N | C | H44 | 109.5° | 109.5° |
| N | C | H45 | 109.5° | 109.4° |
| N | C21 | C20 | 118.5° | 119.0° |
| C21 | N | C1 | 121.4° | 116.3° |
| C21 | C20 | C19 | 116.1° | 109.5° |
| C21 | C20 | H17 | 107.8° | 109.5° |
| C21 | C20 | H18 | 107.8° | 109.5° |
| C27 | C28 | C23 | 122.4° | 120.0° |
| C28 | C27 | C26 | 116.7° | 119.9° |
| C27 | C28 | H46 | 118.8° | 119.9° |
| C28 | C23 | C22 | 120.3° | 120.0° |
| C28 | C23 | C24 | 118.6° | 120.0° |
| C23 | C28 | H46 | 118.8° | 120.0° |
| C27 | C26 | CL | 119.7° | 120.0° |
| C27 | C26 | C25 | 122.0° | 120.0° |
| N | C1 | C2 | 115.2° | 108.9° |
| N | C1 | H1 | 108.0° | 109.6° |
| N | C1 | H2 | 108.0° | 109.6° |
| O2 | C18 | N4 | 122.8° | 120.5° |
| O2 | C18 | C17 | 120.3° | 120.6° |
| C20 | C19 | C22 | 110.6° | 109.5° |
| C20 | C19 | N4 | 110.5° | 108.8° |
| C20 | C19 | H16 | 108.0° | 109.7° |
| C19 | C20 | H17 | 107.8° | 109.5° |
| C19 | C20 | H18 | 107.8° | 109.4° |
| C22 | C19 | N4 | 110.7° | 109.6° |
| C19 | C22 | C23 | 114.4° | 109.5° |
| C22 | C19 | H16 | 108.0° | 109.5° |
| C19 | C22 | H19 | 108.2° | 109.5° |
| C19 | C22 | H20 | 108.2° | 109.4° |
| C19 | N4 | C18 | 123.8° | 116.4° |
| N4 | C19 | H16 | 108.9° | 109.6° |
| C19 | N4 | H42 | 118.1° | 121.9° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C23 | C22 | H19 | 108.2° | 109.5° |
| C23 | C22 | H20 | 108.2° | 109.5° |
| C23 | C24 | C25 | 120.6° | 120.1° |
| C23 | C24 | H21 | 119.7° | 120.0° |
| CL | C26 | C25 | 118.1° | 120.0° |
| C26 | C25 | C24 | 119.5° | 119.9° |
| C26 | C25 | H47 | 120.2° | 120.0° |
| C1 | C2 | C3 | 114.6° | 109.5° |
| C2 | C1 | H1 | 108.1° | 109.6° |
| C2 | C1 | H2 | 108.1° | 109.6° |
| C1 | C2 | H3 | 108.2° | 109.5° |
| C1 | C2 | H4 | 108.2° | 109.5° |
| N4 | C18 | C17 | 116.8° | 118.9° |
| C18 | N4 | H42 | 118.1° | 121.8° |
| C18 | C17 | N3 | 112.9° | 109.4° |
| C18 | C17 | H40 | 108.6° | 109.4° |
| C18 | C17 | H41 | 108.6° | 109.5° |
| C2 | C3 | N1 | 117.9° | 109.5° |
| C3 | C2 | H3 | 108.2° | 109.5° |
| C3 | C2 | H4 | 108.2° | 109.5° |
| C2 | C3 | H5 | 107.3° | 109.5° |
| C2 | C3 | H6 | 107.3° | 109.4° |
| C25 | C24 | H21 | 119.7° | 119.9° |
| C24 | C25 | H47 | 120.2° | 120.1° |
| C3 | N1 | C4 | 113.7° | 111.0° |
| N1 | C3 | H5 | 107.3° | 109.5° |
| N1 | C3 | H6 | 107.3° | 109.4° |
| C3 | N1 | H35 | 108.4° | 111.0° |
| C17 | N3 | C16 | 117.7° | 118.4° |
| C17 | N3 | C15 | 118.8° | 118.1° |
| N3 | C17 | H40 | 108.6° | 109.5° |
| N3 | C17 | H41 | 108.6° | 109.5° |
| C13 | C14 | C15 | 119.7° | 120.7° |
| C14 | C13 | C12 | 120.3° | 119.9° |
| C14 | C13 | H14 | 119.9° | 120.0° |
| C13 | C14 | H15 | 120.1° | 119.6° |
| C14 | C15 | N3 | 119.1° | 122.3° |
| C14 | C15 | C10 | 120.5° | 119.2° |
| C15 | C14 | H15 | 120.2° | 119.6° |
| O | C6 | C5 | 121.2° | 120.5° |
| O | C6 | N2 | 122.6° | 120.6° |
| N1 | C4 | C5 | 111.4° | 109.5° |
| N1 | C4 | C37 | 111.8° | 109.5° |
| N1 | C4 | H34 | 107.1° | 109.4° |
| C4 | N1 | H35 | 108.4° | 111.0° |
| C16 | N3 | C15 | 123.5° | 123.5° |
| N3 | C16 | O1 | 121.8° | 118.9° |
| N3 | C16 | C7 | 115.7° | 122.2° |
| N3 | C15 | C10 | 120.4° | 118.5° |
| O1 | C16 | C7 | 122.5° | 118.9° |
| C13 | C12 | C11 | 120.2° | 119.8° |
| C13 | C12 | H13 | 119.9° | 120.1° |
| C12 | C13 | H14 | 119.9° | 120.1° |
| C16 | C7 | N2 | 113.5° | 108.9° |
| C16 | C7 | C8 | 111.5° | 111.4° |
| C16 | C7 | H7 | 106.5° | 109.7° |
| C15 | C10 | C11 | 118.4° | 120.0° |
| C15 | C10 | C9 | 125.8° | 119.6° |
| C5 | C4 | C37 | 113.0° | 109.5° |
| C4 | C5 | C6 | 107.0° | 109.5° |
| C5 | C4 | H34 | 106.5° | 109.5° |
| C4 | C5 | H37 | 110.1° | 109.5° |
| C4 | C5 | H38 | 110.1° | 109.4° |
| C4 | C37 | C38 | 113.3° | 109.4° |
| C4 | C37 | H32 | 108.5° | 109.5° |
| C4 | C37 | H33 | 108.5° | 109.5° |
| C37 | C4 | H34 | 106.4° | 109.5° |
| C40 | C39 | C38 | 121.1° | 120.0° |
| C39 | C40 | C41 | 119.1° | 120.0° |
| C39 | C40 | H28 | 120.5° | 120.0° |
| C40 | C39 | H29 | 119.4° | 120.0° |
| C39 | C38 | C37 | 120.8° | 120.0° |
| C39 | C38 | C43 | 118.3° | 120.0° |
| C38 | C39 | H29 | 119.4° | 120.0° |
| C5 | C6 | N2 | 116.2° | 118.8° |
| C6 | C5 | H37 | 110.1° | 109.5° |
| C6 | C5 | H38 | 110.1° | 109.5° |
| C6 | N2 | C7 | 122.1° | 116.3° |
| C6 | N2 | H39 | 119.0° | 121.9° |
| C40 | C41 | CL1 | 119.3° | 120.0° |
| C40 | C41 | C42 | 121.3° | 120.0° |
| C41 | C40 | H28 | 120.5° | 120.0° |
| C37 | C38 | C43 | 120.8° | 120.0° |
| C38 | C37 | H32 | 108.5° | 109.5° |
| C38 | C37 | H33 | 108.5° | 109.5° |
| C12 | C11 | C10 | 120.9° | 120.3° |
| C12 | C11 | H12 | 119.5° | 119.8° |
| C11 | C12 | H13 | 119.9° | 120.1° |
| N2 | C7 | C8 | 111.0° | 108.6° |
| N2 | C7 | H7 | 107.4° | 108.5° |
| C7 | N2 | H39 | 119.0° | 121.8° |
| C7 | C8 | C9 | 112.9° | 110.9° |
| C8 | C7 | H7 | 106.5° | 109.6° |
| C7 | C8 | H8 | 108.6° | 109.2° |
| C7 | C8 | H9 | 108.6° | 109.2° |
| C38 | C43 | C42 | 121.1° | 120.0° |
| C38 | C43 | H31 | 119.4° | 120.0° |
| C11 | C10 | C9 | 115.8° | 120.4° |
| C10 | C11 | H12 | 119.6° | 119.8° |
| C10 | C9 | C8 | 114.7° | 110.8° |
| C10 | C9 | H10 | 108.1° | 109.2° |
| C10 | C9 | H11 | 108.2° | 109.1° |
| CL1 | C41 | C42 | 119.5° | 120.0° |
| C41 | C42 | C43 | 119.1° | 120.0° |
| C41 | C42 | H30 | 120.5° | 120.0° |
| C9 | C8 | H8 | 108.6° | 109.2° |
| C9 | C8 | H9 | 108.6° | 109.1° |
| C8 | C9 | H10 | 108.2° | 109.2° |
| C8 | C9 | H11 | 108.1° | 109.2° |
| C43 | C42 | H30 | 120.4° | 120.0° |
| C42 | C43 | H31 | 119.5° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.2° |
| H10 | C9 | H11 | 109.4° | 109.2° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H37 | C5 | H38 | 109.5° | 109.5° |
| H40 | C17 | H41 | 109.5° | 109.5° |
| H43 | C | H44 | 109.5° | 109.5° |
| H43 | C | H45 | 109.5° | 109.5° |
| H44 | C | H45 | 109.5° | 109.5° |
| H48 | C29 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C33 | C32 | H25 | 180.0° | 179.9° |
| C33 | C34 | C35 | H26 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C33 | C34 | C35 | C36 | 0.9° | 0.1° |
| C34 | C33 | C32 | H24 | 179.9° | 180.0° |
| C33 | C34 | C35 | H27 | 179.2° | 180.0° |
| C32 | C33 | C34 | C35 | 0.8° | 0.0° |
| C33 | C32 | C31 | H24 | 180.0° | 180.0° |
| C33 | C32 | C31 | C36 | 1.0° | 0.0° |
| C33 | C32 | C31 | C30 | 177.0° | 179.8° |
| C32 | C33 | C34 | H26 | 179.2° | 179.9° |
| C34 | C35 | C36 | H27 | 180.0° | 179.9° |
| C34 | C35 | C36 | C31 | 0.0° | 0.1° |
| C35 | C34 | C33 | H25 | 179.1° | 180.0° |
| C34 | C35 | C36 | H50 | 180.0° | 179.8° |
| C32 | C31 | C36 | C35 | 0.9° | 0.1° |
| C32 | C31 | C36 | C30 | 176.0° | 179.8° |
| C32 | C31 | C30 | C29 | 74.1° | 84.4° |
| C32 | C31 | C30 | H22 | 165.6° | 35.6° |
| C32 | C31 | C30 | H23 | 46.2° | 155.6° |
| C31 | C32 | C33 | H25 | 179.9° | 180.0° |
| C32 | C31 | C36 | H50 | 179.1° | 179.7° |
| C35 | C36 | C31 | H50 | 180.0° | 179.6° |
| C35 | C36 | C31 | C30 | 177.0° | 179.7° |
| C36 | C35 | C34 | H26 | 179.1° | 179.9° |
| C36 | C31 | C30 | C29 | 101.8° | 95.4° |
| C36 | C31 | C30 | H22 | 18.5° | 144.6° |
| C36 | C31 | C30 | H23 | 137.9° | 24.6° |
| C36 | C31 | C32 | H24 | 179.0° | 180.0° |
| C31 | C36 | C35 | H27 | 180.0° | 180.0° |
| C31 | C30 | C29 | H22 | 120.3° | 120.0° |
| C31 | C30 | C29 | H23 | 120.3° | 120.0° |
| C31 | C30 | C29 | C27 | 153.6° | 174.8° |
| C31 | C30 | H22 | H23 | 119.1° | 120.1° |
| C30 | C31 | C32 | H24 | 3.0° | 0.2° |
| C31 | C30 | C29 | H48 | 85.7° | 54.8° |
| C31 | C30 | C29 | H49 | 32.9° | 65.2° |
| C30 | C31 | C36 | H50 | 3.1° | 0.1° |
| C30 | C29 | C27 | H48 | 120.7° | 120.0° |
| C30 | C29 | C27 | H49 | 120.7° | 120.0° |
| C30 | C29 | C27 | C28 | 102.0° | 103.2° |
| C30 | C29 | C27 | C26 | 86.6° | 77.3° |
| C29 | C30 | H22 | H23 | 119.1° | 119.9° |
| C30 | C29 | H48 | H49 | 117.8° | 120.0° |
| O3 | C21 | N | C | 0.3° | 179.8° |
| O3 | C21 | N | C20 | 179.3° | 180.0° |
| O3 | C21 | N | C1 | 178.8° | 0.2° |
| O3 | C21 | C20 | C19 | 55.2° | 23.7° |
| O3 | C21 | C20 | H17 | 176.2° | 143.8° |
| O3 | C21 | C20 | H18 | 65.8° | 96.2° |
| C29 | C27 | C28 | C26 | 172.1° | 179.5° |
| C29 | C27 | C28 | C23 | 176.6° | 179.7° |
| C29 | C27 | C26 | CL | 7.4° | 0.5° |
| C29 | C27 | C26 | C25 | 175.8° | 180.0° |
| C27 | C29 | C30 | H22 | 33.3° | 54.8° |
| C27 | C29 | C30 | H23 | 86.1° | 65.2° |
| C29 | C27 | C28 | H46 | 3.4° | 0.3° |
| C27 | C29 | H48 | H49 | 117.8° | 120.0° |
| C | N | C21 | C1 | 179.1° | 179.9° |
| C | N | C21 | C20 | 179.6° | 0.2° |
| C | N | C1 | C2 | 26.8° | 78.3° |
| C | N | C1 | H1 | 94.0° | 41.6° |
| C | N | C1 | H2 | 147.7° | 161.9° |
| N | C | H43 | H44 | 120.0° | 120.0° |
| N | C | H43 | H45 | 120.0° | 120.0° |
| N | C | H44 | H45 | 120.0° | 120.0° |
| N | C21 | C20 | C19 | 125.5° | 156.3° |
| C21 | N | C1 | C2 | 154.0° | 101.6° |
| C21 | N | C1 | H1 | 85.1° | 138.5° |
| C21 | N | C1 | H2 | 33.2° | 18.2° |
| N | C21 | C20 | H17 | 4.5° | 36.2° |
| N | C21 | C20 | H18 | 113.6° | 83.8° |
| C21 | N | C | H43 | 180.0° | 0.0° |
| C21 | N | C | H44 | 60.0° | 120.0° |
| C21 | N | C | H45 | 60.0° | 120.0° |
| C20 | C21 | N | C1 | 0.5° | 179.8° |
| C21 | C20 | C19 | H17 | 120.9° | 120.0° |
| C21 | C20 | C19 | H18 | 121.0° | 120.0° |
| C21 | C20 | C19 | C22 | 59.0° | 10.3° |
| C21 | C20 | C19 | N4 | 178.0° | 130.1° |
| C21 | C20 | C19 | H16 | 58.9° | 110.0° |
| C21 | C20 | H17 | H18 | 117.0° | 120.0° |
| C27 | C28 | C23 | H46 | 180.0° | 179.9° |
| C27 | C28 | C23 | C22 | 178.7° | 180.0° |
| C27 | C28 | C23 | C24 | 2.4° | 0.0° |
| C28 | C27 | C26 | CL | 178.9° | 180.0° |
| C28 | C27 | C26 | C25 | 4.3° | 0.5° |
| C28 | C27 | C29 | H48 | 18.7° | 136.8° |
| C28 | C27 | C29 | H49 | 137.3° | 16.8° |
| C23 | C28 | C27 | C26 | 4.4° | 0.3° |
| C28 | C23 | C22 | C19 | 80.7° | 90.6° |
| C28 | C23 | C22 | C24 | 178.8° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C22 | H19 | 40.0° | 149.3° |
| C28 | C23 | C22 | H20 | 158.6° | 29.3° |
| C28 | C23 | C24 | H21 | 179.9° | 179.7° |
| C27 | C26 | CL | C25 | 176.9° | 179.5° |
| C27 | C26 | C25 | C24 | 2.2° | 0.5° |
| C26 | C27 | C28 | H46 | 175.6° | 179.8° |
| C27 | C26 | C25 | H47 | 177.8° | 179.5° |
| C26 | C27 | C29 | H48 | 152.7° | 42.7° |
| C26 | C27 | C29 | H49 | 34.1° | 162.7° |
| N | C1 | C2 | H1 | 120.8° | 119.8° |
| N | C1 | C2 | H2 | 120.8° | 119.9° |
| N | C1 | C2 | C3 | 110.4° | 99.5° |
| N | C1 | H1 | H2 | 117.4° | 120.3° |
| N | C1 | C2 | H3 | 10.4° | 140.5° |
| N | C1 | C2 | H4 | 128.8° | 20.5° |
| C1 | N | C | H43 | 0.9° | 180.0° |
| C1 | N | C | H44 | 120.9° | 59.9° |
| C1 | N | C | H45 | 119.1° | 60.1° |
| O2 | C18 | N4 | C19 | 3.8° | 0.2° |
| O2 | C18 | N4 | C17 | 179.0° | 179.9° |
| O2 | C18 | C17 | N3 | 174.6° | 9.9° |
| O2 | C18 | C17 | H40 | 54.1° | 110.0° |
| O2 | C18 | C17 | H41 | 64.9° | 130.0° |
| O2 | C18 | N4 | H42 | 176.2° | 179.9° |
| C20 | C19 | C22 | N4 | 122.9° | 119.3° |
| C20 | C19 | C22 | H16 | 118.0° | 120.4° |
| C20 | C19 | N4 | H16 | 118.5° | 120.0° |
| C20 | C19 | C22 | C23 | 176.3° | 172.0° |
| C20 | C19 | N4 | C18 | 81.6° | 91.8° |
| C19 | C20 | H17 | H18 | 117.0° | 120.0° |
| C20 | C19 | C22 | H19 | 63.0° | 51.9° |
| C20 | C19 | C22 | H20 | 55.6° | 68.0° |
| C20 | C19 | N4 | H42 | 98.4° | 88.1° |
| C22 | C19 | N4 | H16 | 118.5° | 120.3° |
| C19 | C22 | C23 | H19 | 120.7° | 120.1° |
| C19 | C22 | C23 | H20 | 120.7° | 119.9° |
| C19 | C22 | C23 | C24 | 98.1° | 89.4° |
| C22 | C19 | N4 | C18 | 155.5° | 27.9° |
| C22 | C19 | C20 | H17 | 61.9° | 130.3° |
| C22 | C19 | C20 | H18 | 180.0° | 109.7° |
| C19 | C22 | H19 | H20 | 117.8° | 119.9° |
| C22 | C19 | N4 | H42 | 24.5° | 152.1° |
| N4 | C19 | C22 | C23 | 53.4° | 68.7° |
| C19 | N4 | C18 | H42 | 180.0° | 179.9° |
| C19 | N4 | C18 | C17 | 175.2° | 179.8° |
| N4 | C19 | C20 | H17 | 61.1° | 109.9° |
| N4 | C19 | C20 | H18 | 57.0° | 10.1° |
| N4 | C19 | C22 | H19 | 174.1° | 171.2° |
| N4 | C19 | C22 | H20 | 67.3° | 51.3° |
| C22 | C23 | C24 | C25 | 178.9° | 180.0° |
| C23 | C22 | C19 | H16 | 65.7° | 51.6° |
| C23 | C22 | H19 | H20 | 117.7° | 120.0° |
| C22 | C23 | C24 | H21 | 1.0° | 0.3° |
| C22 | C23 | C28 | H46 | 1.3° | 0.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.2° |
| C23 | C24 | C25 | H21 | 180.0° | 179.7° |
| C24 | C23 | C22 | H19 | 141.2° | 30.7° |
| C24 | C23 | C22 | H20 | 22.6° | 150.7° |
| C24 | C23 | C28 | H46 | 177.6° | 180.0° |
| C23 | C24 | C25 | H47 | 180.0° | 179.7° |
| CL | C26 | C25 | C24 | 179.1° | 180.0° |
| CL | C26 | C25 | H47 | 0.9° | 0.0° |
| C26 | C25 | C24 | H47 | 180.0° | 180.0° |
| C26 | C25 | C24 | H21 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 120.8° | 120.0° |
| C1 | C2 | C3 | H4 | 120.8° | 120.0° |
| C1 | C2 | C3 | N1 | 87.4° | 147.1° |
| C2 | C1 | H1 | H2 | 117.5° | 120.3° |
| C1 | C2 | H3 | H4 | 117.6° | 120.0° |
| C1 | C2 | C3 | H5 | 33.8° | 27.1° |
| C1 | C2 | C3 | H6 | 151.3° | 92.9° |
| N4 | C18 | C17 | N3 | 4.4° | 170.0° |
| C18 | N4 | C19 | H16 | 36.9° | 148.2° |
| N4 | C18 | C17 | H40 | 124.9° | 70.1° |
| N4 | C18 | C17 | H41 | 116.1° | 50.0° |
| C18 | C17 | N3 | H40 | 120.5° | 119.9° |
| C18 | C17 | N3 | H41 | 120.5° | 120.1° |
| C18 | C17 | N3 | C16 | 69.1° | 67.4° |
| C18 | C17 | N3 | C15 | 112.4° | 113.0° |
| C18 | C17 | H40 | H41 | 118.5° | 120.1° |
| C17 | C18 | N4 | H42 | 4.8° | 0.2° |
| C2 | C3 | N1 | H5 | 121.2° | 120.0° |
| C2 | C3 | N1 | H6 | 121.2° | 120.0° |
| C2 | C3 | N1 | C4 | 112.8° | 173.8° |
| C3 | C2 | C1 | H1 | 128.8° | 140.7° |
| C3 | C2 | C1 | H2 | 10.4° | 20.4° |
| C3 | C2 | H3 | H4 | 117.6° | 120.0° |
| C2 | C3 | H5 | H6 | 116.1° | 120.0° |
| C2 | C3 | N1 | H35 | 126.6° | 62.2° |
| C3 | N1 | C4 | H35 | 120.6° | 124.0° |
| C3 | N1 | C4 | C5 | 117.6° | 138.6° |
| C3 | N1 | C4 | C37 | 114.8° | 101.4° |
| N1 | C3 | C2 | H3 | 151.8° | 92.8° |
| N1 | C3 | C2 | H4 | 33.3° | 27.1° |
| N1 | C3 | H5 | H6 | 116.2° | 120.0° |
| C3 | N1 | C4 | H34 | 1.4° | 18.6° |
| C17 | N3 | C15 | C14 | 48.6° | 39.5° |
| C17 | N3 | C16 | C15 | 178.4° | 179.6° |
| C17 | N3 | C16 | O1 | 0.1° | 15.7° |
| C17 | N3 | C16 | C7 | 178.1° | 164.2° |
| C17 | N3 | C15 | C10 | 132.9° | 139.2° |
| N3 | C17 | H40 | H41 | 118.4° | 120.0° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | N3 | 179.7° | 179.9° |
| C14 | C13 | C12 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 1.3° | 1.2° |
| C14 | C13 | C12 | C11 | 0.2° | 0.6° |
| C14 | C13 | C12 | H13 | 179.8° | 179.4° |
| C14 | C15 | N3 | C16 | 133.0° | 140.9° |
| C14 | C15 | N3 | C10 | 178.5° | 178.7° |
| C15 | C14 | C13 | C12 | 0.6° | 0.1° |
| C14 | C15 | C10 | C11 | 1.0° | 1.4° |
| C14 | C15 | C10 | C9 | 179.9° | 177.8° |
| C15 | C14 | C13 | H14 | 179.4° | 179.8° |
| O | C6 | C5 | C4 | 39.1° | 7.9° |
| O | C6 | C5 | N2 | 179.8° | 180.0° |
| O | C6 | N2 | C7 | 1.9° | 0.3° |
| O | C6 | C5 | H37 | 158.7° | 128.0° |
| O | C6 | C5 | H38 | 80.5° | 112.0° |
| O | C6 | N2 | H39 | 178.1° | 179.7° |
| N1 | C4 | C5 | C37 | 126.9° | 120.0° |
| N1 | C4 | C5 | H34 | 116.5° | 120.0° |
| N1 | C4 | C37 | H34 | 116.7° | 120.0° |
| N1 | C4 | C5 | C6 | 137.8° | 110.8° |
| N1 | C4 | C37 | C38 | 160.6° | 65.0° |
| C4 | N1 | C3 | H5 | 8.4° | 53.8° |
| C4 | N1 | C3 | H6 | 126.0° | 66.2° |
| N1 | C4 | C37 | H32 | 40.0° | 175.0° |
| N1 | C4 | C37 | H33 | 78.8° | 55.0° |
| N1 | C4 | C5 | H37 | 102.6° | 129.2° |
| N1 | C4 | C5 | H38 | 18.2° | 9.2° |
| N3 | C16 | O1 | C7 | 178.1° | 179.9° |
| C16 | N3 | C15 | C10 | 45.5° | 40.3° |
| N3 | C16 | C7 | N2 | 153.9° | 164.0° |
| N3 | C16 | C7 | C8 | 79.9° | 76.2° |
| N3 | C16 | C7 | H7 | 35.9° | 45.4° |
| C16 | N3 | C17 | H40 | 51.4° | 172.7° |
| C16 | N3 | C17 | H41 | 170.4° | 52.6° |
| C15 | N3 | C16 | O1 | 178.3° | 163.9° |
| C15 | N3 | C16 | C7 | 3.5° | 16.2° |
| N3 | C15 | C10 | C11 | 179.5° | 179.8° |
| N3 | C15 | C10 | C9 | 1.7° | 1.0° |
| N3 | C15 | C14 | H15 | 0.3° | 0.1° |
| C15 | N3 | C17 | H40 | 127.1° | 6.9° |
| C15 | N3 | C17 | H41 | 8.1° | 127.0° |
| O1 | C16 | C7 | N2 | 24.4° | 15.9° |
| O1 | C16 | C7 | C8 | 101.9° | 103.9° |
| O1 | C16 | C7 | H7 | 142.3° | 134.5° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.4° | 0.4° |
| C13 | C12 | C11 | H12 | 179.5° | 179.7° |
| C12 | C13 | C14 | H15 | 179.4° | 179.8° |
| C16 | C7 | N2 | C6 | 53.8° | 80.6° |
| C16 | C7 | N2 | C8 | 126.5° | 121.5° |
| C16 | C7 | N2 | H7 | 117.4° | 119.4° |
| C16 | C7 | C8 | H7 | 115.8° | 121.6° |
| C16 | C7 | C8 | C9 | 58.2° | 27.4° |
| C16 | C7 | C8 | H8 | 178.7° | 147.8° |
| C16 | C7 | C8 | H9 | 62.3° | 92.8° |
| C16 | C7 | N2 | H39 | 126.2° | 99.4° |
| C15 | C10 | C11 | C12 | 0.2° | 0.7° |
| C15 | C10 | C11 | C9 | 178.9° | 179.2° |
| C15 | C10 | C9 | C8 | 59.9° | 76.9° |
| C15 | C10 | C9 | H10 | 60.9° | 162.7° |
| C15 | C10 | C9 | H11 | 179.3° | 43.4° |
| C15 | C10 | C11 | H12 | 179.8° | 179.3° |
| C10 | C15 | C14 | H15 | 178.7° | 178.8° |
| C5 | C4 | C37 | H34 | 116.6° | 120.0° |
| C4 | C5 | C6 | H37 | 119.6° | 120.1° |
| C4 | C5 | C6 | H38 | 119.6° | 120.0° |
| C4 | C5 | C6 | N2 | 140.7° | 172.1° |
| C5 | C4 | C37 | C38 | 72.7° | 175.0° |
| C5 | C4 | C37 | H32 | 166.7° | 55.0° |
| C5 | C4 | C37 | H33 | 47.9° | 65.0° |
| C5 | C4 | N1 | H35 | 121.8° | 97.4° |
| C4 | C5 | H37 | H38 | 121.2° | 120.0° |
| C4 | C37 | C38 | C39 | 73.2° | 90.1° |
| C37 | C4 | C5 | C6 | 95.2° | 129.2° |
| C4 | C37 | C38 | H32 | 120.6° | 120.0° |
| C4 | C37 | C38 | H33 | 120.6° | 120.0° |
| C4 | C37 | C38 | C43 | 103.4° | 89.7° |
| C4 | C37 | H32 | H33 | 118.2° | 120.0° |
| C37 | C4 | N1 | H35 | 5.8° | 22.5° |
| C37 | C4 | C5 | H37 | 24.3° | 9.2° |
| C37 | C4 | C5 | H38 | 145.2° | 110.8° |
| C40 | C39 | C38 | H29 | 180.0° | 179.9° |
| C39 | C40 | C41 | H28 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 177.5° | 179.9° |
| C40 | C39 | C38 | C43 | 0.8° | 0.3° |
| C39 | C40 | C41 | CL1 | 179.1° | 180.0° |
| C39 | C40 | C41 | C42 | 0.8° | 0.2° |
| C38 | C39 | C40 | C41 | 0.2° | 0.0° |
| C39 | C38 | C37 | C43 | 176.6° | 179.8° |
| C39 | C38 | C43 | C42 | 1.2° | 0.3° |
| C38 | C39 | C40 | H28 | 179.9° | 180.0° |
| C39 | C38 | C43 | H31 | 178.7° | 179.8° |
| C39 | C38 | C37 | H32 | 47.4° | 150.0° |
| C39 | C38 | C37 | H33 | 166.2° | 29.9° |
| C5 | C6 | N2 | C7 | 177.9° | 179.7° |
| C6 | C5 | C4 | H34 | 21.3° | 9.2° |
| C6 | C5 | H37 | H38 | 121.2° | 120.0° |
| C5 | C6 | N2 | H39 | 2.1° | 0.3° |
| C6 | N2 | C7 | H39 | 180.0° | 180.0° |
| C6 | N2 | C7 | C8 | 179.7° | 157.9° |
| C6 | N2 | C7 | H7 | 63.6° | 38.8° |
| N2 | C6 | C5 | H37 | 21.1° | 52.0° |
| N2 | C6 | C5 | H38 | 99.7° | 68.0° |
| C40 | C41 | CL1 | C42 | 179.9° | 179.8° |
| C40 | C41 | C42 | C43 | 0.4° | 0.1° |
| C41 | C40 | C39 | H29 | 179.9° | 179.9° |
| C40 | C41 | C42 | H30 | 179.6° | 179.7° |
| C37 | C38 | C43 | C42 | 177.9° | 179.9° |
| C37 | C38 | C39 | H29 | 2.5° | 0.1° |
| C37 | C38 | C43 | H31 | 2.0° | 0.0° |
| C38 | C37 | H32 | H33 | 118.2° | 120.0° |
| C38 | C37 | C4 | H34 | 43.9° | 54.9° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 179.1° | 178.5° |
| C11 | C12 | C13 | H14 | 179.7° | 179.5° |
| N2 | C7 | C8 | H7 | 116.7° | 118.4° |
| N2 | C7 | C8 | C9 | 174.2° | 147.4° |
| N2 | C7 | C8 | H8 | 53.7° | 92.3° |
| N2 | C7 | C8 | H9 | 65.3° | 27.1° |
| C7 | C8 | C9 | C10 | 22.8° | 55.7° |
| C7 | C8 | C9 | H8 | 120.5° | 120.4° |
| C7 | C8 | C9 | H9 | 120.5° | 120.3° |
| C7 | C8 | H8 | H9 | 118.4° | 119.4° |
| C7 | C8 | C9 | H10 | 97.9° | 176.0° |
| C7 | C8 | C9 | H11 | 143.6° | 64.6° |
| C8 | C7 | N2 | H39 | 0.3° | 22.1° |
| C38 | C43 | C42 | C41 | 0.6° | 0.1° |
| C38 | C43 | C42 | H31 | 180.0° | 179.9° |
| C43 | C38 | C39 | H29 | 179.2° | 179.7° |
| C38 | C43 | C42 | H30 | 179.4° | 179.9° |
| C43 | C38 | C37 | H32 | 136.0° | 30.2° |
| C43 | C38 | C37 | H33 | 17.1° | 150.2° |
| C11 | C10 | C9 | C8 | 121.2° | 103.9° |
| C11 | C10 | C9 | H10 | 118.0° | 16.5° |
| C11 | C10 | C9 | H11 | 0.4° | 135.8° |
| C10 | C11 | C12 | H13 | 179.6° | 179.7° |
| C10 | C9 | C8 | H10 | 120.8° | 120.4° |
| C10 | C9 | C8 | H11 | 120.8° | 120.2° |
| C10 | C9 | C8 | H8 | 97.7° | 64.7° |
| C10 | C9 | C8 | H9 | 143.3° | 176.0° |
| C10 | C9 | H10 | H11 | 117.6° | 119.2° |
| C9 | C10 | C11 | H12 | 0.9° | 1.5° |
| CL1 | C41 | C42 | C43 | 179.5° | 180.0° |
| CL1 | C41 | C40 | H28 | 0.9° | 0.1° |
| CL1 | C41 | C42 | H30 | 0.5° | 0.1° |
| C41 | C42 | C43 | H30 | 180.0° | 179.8° |
| C42 | C41 | C40 | H28 | 179.2° | 179.8° |
| C41 | C42 | C43 | H31 | 179.3° | 180.0° |
| C9 | C8 | C7 | H7 | 57.6° | 94.2° |
| C9 | C8 | H8 | H9 | 118.4° | 119.2° |
| C8 | C9 | H10 | H11 | 117.6° | 119.4° |
| H1 | C1 | C2 | H3 | 110.4° | 20.7° |
| H1 | C1 | C2 | H4 | 8.0° | 99.3° |
| H2 | C1 | C2 | H3 | 131.2° | 99.6° |
| H2 | C1 | C2 | H4 | 110.4° | 140.4° |
| H3 | C2 | C3 | H5 | 87.0° | 147.1° |
| H3 | C2 | C3 | H6 | 30.5° | 27.1° |
| H4 | C2 | C3 | H5 | 154.5° | 92.9° |
| H4 | C2 | C3 | H6 | 87.9° | 147.1° |
| H5 | C3 | N1 | H35 | 112.2° | 177.8° |
| H6 | C3 | N1 | H35 | 5.3° | 57.8° |
| H7 | C7 | C8 | H8 | 63.0° | 26.2° |
| H7 | C7 | C8 | H9 | 178.1° | 145.6° |
| H7 | C7 | N2 | H39 | 116.4° | 141.2° |
| H8 | C8 | C9 | H10 | 141.5° | 55.7° |
| H8 | C8 | C9 | H11 | 23.1° | 175.1° |
| H9 | C8 | C9 | H10 | 22.5° | 63.7° |
| H9 | C8 | C9 | H11 | 95.9° | 55.8° |
| H12 | C11 | C12 | H13 | 0.5° | 0.3° |
| H13 | C12 | C13 | H14 | 0.2° | 0.5° |
| H14 | C13 | C14 | H15 | 0.6° | 0.2° |
| H16 | C19 | C20 | H17 | 179.9° | 10.0° |
| H16 | C19 | C20 | H18 | 62.0° | 130.0° |
| H16 | C19 | C22 | H19 | 55.0° | 68.4° |
| H16 | C19 | C22 | H20 | 173.6° | 171.6° |
| H16 | C19 | N4 | H42 | 143.1° | 31.9° |
| H21 | C24 | C25 | H47 | 0.0° | 0.0° |
| H22 | C30 | C29 | H48 | 154.0° | 65.2° |
| H22 | C30 | C29 | H49 | 87.4° | 174.8° |
| H23 | C30 | C29 | H48 | 34.6° | 174.8° |
| H23 | C30 | C29 | H49 | 153.2° | 54.8° |
| H24 | C32 | C33 | H25 | 0.1° | 0.0° |
| H25 | C33 | C34 | H26 | 0.9° | 0.1° |
| H26 | C34 | C35 | H27 | 0.9° | 0.0° |
| H27 | C35 | C36 | H50 | 0.0° | 0.3° |
| H28 | C40 | C39 | H29 | 0.1° | 0.0° |
| H30 | C42 | C43 | H31 | 0.6° | 0.2° |
| H32 | C37 | C4 | H34 | 76.7° | 65.0° |
| H33 | C37 | C4 | H34 | 164.5° | 174.9° |
| H34 | C4 | N1 | H35 | 122.1° | 142.5° |
| H34 | C4 | C5 | H37 | 140.9° | 110.8° |
| H34 | C4 | C5 | H38 | 98.3° | 129.2° |
| H43 | C | H44 | H45 | 120.0° | 120.0° |
