TL0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C | N | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| S | C23 | sing | 1.76Å | 1.76Å | |
| S | N | sing | 1.66Å | 1.62Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C23 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.63Å | |
| C6 | C3 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.51Å | |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | N4 | doub | 1.29Å | 1.31Å | Aromatic |
| C16 | C14 | sing | 1.53Å | 1.49Å | |
| N4 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.48Å | 1.42Å | |
| C13 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | C12 | sing | 1.35Å | 1.33Å | |
| C10 | C22 | sing | 1.47Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| F | C20 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.46Å | 1.46Å | |
| C11 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O2 | doub | 1.22Å | 1.20Å | |
| C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | H43 | sing | 1.08Å | 1.08Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N1 | 111.0° | 109.5° |
| C4 | C5 | C6 | 111.5° | 109.3° |
| C5 | C4 | H10 | 109.1° | 109.4° |
| C5 | C4 | H11 | 109.1° | 109.5° |
| C4 | C5 | H17 | 109.0° | 109.5° |
| C4 | C5 | H18 | 108.9° | 109.5° |
| C4 | N1 | C1 | 111.9° | 111.0° |
| C4 | N1 | C2 | 108.8° | 111.2° |
| N1 | C4 | H10 | 109.1° | 109.5° |
| N1 | C4 | H11 | 109.1° | 109.5° |
| O3 | S | C23 | 107.7° | 106.4° |
| O3 | S | N | 106.8° | 106.4° |
| O3 | S | O | 119.4° | 123.2° |
| N1 | C1 | C | 115.5° | 109.4° |
| C1 | N1 | C2 | 113.7° | 111.0° |
| N1 | C1 | H4 | 107.9° | 109.5° |
| N1 | C1 | H5 | 107.9° | 109.5° |
| C1 | C | N | 111.4° | 109.5° |
| C | C1 | H4 | 108.0° | 109.4° |
| C | C1 | H5 | 107.9° | 109.5° |
| C1 | C | H8 | 109.0° | 109.5° |
| C1 | C | H9 | 109.0° | 109.5° |
| C5 | C6 | C7 | 112.7° | 109.5° |
| C5 | C6 | C3 | 109.3° | 109.1° |
| C5 | C6 | H16 | 107.1° | 109.6° |
| C6 | C5 | H17 | 109.0° | 109.5° |
| C6 | C5 | H18 | 109.0° | 109.5° |
| N1 | C2 | C3 | 110.9° | 109.5° |
| N1 | C2 | H6 | 109.1° | 109.5° |
| N1 | C2 | H7 | 109.1° | 109.5° |
| C25 | C24 | C23 | 119.3° | 120.0° |
| C24 | C25 | C26 | 121.3° | 120.0° |
| C25 | C24 | H1 | 120.4° | 120.0° |
| C24 | C25 | H32 | 119.4° | 120.0° |
| C24 | C23 | S | 119.8° | 120.0° |
| C24 | C23 | C32 | 120.4° | 120.0° |
| C23 | C24 | H1 | 120.3° | 120.0° |
| C | N | S | 123.4° | 120.0° |
| N | C | H8 | 109.0° | 109.5° |
| N | C | H9 | 109.0° | 109.4° |
| C | N | H12 | 105.9° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | C31 | 118.4° | 120.0° |
| C26 | C25 | H32 | 119.4° | 120.0° |
| C23 | S | N | 107.9° | 107.2° |
| C23 | S | O | 107.8° | 106.4° |
| S | C23 | C32 | 119.8° | 120.0° |
| N | S | O | 106.8° | 106.4° |
| S | N | H12 | 105.9° | 120.1° |
| C23 | C32 | C31 | 119.2° | 120.0° |
| C23 | C32 | H43 | 120.4° | 120.0° |
| C27 | C26 | C31 | 120.9° | 120.0° |
| C26 | C27 | C28 | 115.8° | 109.5° |
| C26 | C27 | H33 | 107.9° | 109.5° |
| C26 | C27 | H34 | 107.9° | 109.5° |
| C26 | C31 | C32 | 121.3° | 120.0° |
| C26 | C31 | H42 | 119.4° | 120.0° |
| C7 | C6 | C3 | 114.2° | 109.5° |
| C6 | C7 | N2 | 120.1° | 109.5° |
| C6 | C7 | H14 | 106.8° | 109.4° |
| C6 | C7 | H15 | 106.8° | 109.5° |
| C7 | C6 | H16 | 106.0° | 109.5° |
| C6 | C3 | C2 | 112.3° | 109.3° |
| C6 | C3 | H2 | 108.8° | 109.5° |
| C6 | C3 | H3 | 108.8° | 109.5° |
| C3 | C6 | H16 | 107.1° | 109.6° |
| C27 | C28 | C29 | 110.5° | 109.5° |
| C27 | C28 | C30 | 110.9° | 109.5° |
| C28 | C27 | H33 | 107.9° | 109.4° |
| C28 | C27 | H34 | 107.9° | 109.4° |
| C27 | C28 | H35 | 108.2° | 109.4° |
| C2 | C3 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C3 | C2 | H6 | 109.1° | 109.4° |
| C3 | C2 | H7 | 109.1° | 109.4° |
| C32 | C31 | H42 | 119.3° | 120.0° |
| C31 | C32 | H43 | 120.4° | 120.0° |
| C7 | N2 | N3 | 120.4° | 125.7° |
| C7 | N2 | C8 | 129.1° | 125.7° |
| N2 | C7 | H14 | 106.8° | 109.5° |
| N2 | C7 | H15 | 106.8° | 109.5° |
| C29 | C28 | C30 | 110.5° | 109.5° |
| C29 | C28 | H35 | 108.2° | 109.5° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| C28 | C29 | H38 | 109.5° | 109.5° |
| C30 | C28 | H35 | 108.4° | 109.5° |
| C28 | C30 | H39 | 109.5° | 109.4° |
| C28 | C30 | H40 | 109.5° | 109.4° |
| C28 | C30 | H41 | 109.5° | 109.5° |
| N3 | N2 | C8 | 110.4° | 108.6° |
| N2 | N3 | N4 | 107.6° | 110.6° |
| N2 | C8 | C9 | 105.0° | 106.0° |
| N2 | C8 | H13 | 127.5° | 127.0° |
| N3 | N4 | C9 | 108.6° | 108.7° |
| C16 | C14 | C15 | 109.9° | 109.5° |
| C16 | C14 | C13 | 109.6° | 109.4° |
| C16 | C14 | H19 | 109.1° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.4° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| C14 | C16 | H29 | 109.5° | 109.4° |
| N4 | C9 | C8 | 108.3° | 106.1° |
| N4 | C9 | C10 | 120.4° | 127.0° |
| C8 | C9 | C10 | 131.2° | 126.9° |
| C9 | C8 | H13 | 127.5° | 127.0° |
| C15 | C14 | C13 | 110.3° | 109.5° |
| C15 | C14 | H19 | 109.0° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.5° | 109.4° |
| C14 | C15 | H25 | 109.4° | 109.5° |
| C14 | C13 | O1 | 108.2° | 109.5° |
| C13 | C14 | H19 | 109.0° | 109.5° |
| C14 | C13 | H20 | 109.8° | 109.5° |
| C14 | C13 | H21 | 109.8° | 109.5° |
| C9 | C10 | C22 | 121.4° | 126.8° |
| C9 | C10 | C11 | 132.1° | 126.7° |
| C13 | O1 | C12 | 115.7° | 117.0° |
| O1 | C13 | H20 | 109.8° | 109.5° |
| O1 | C13 | H21 | 109.8° | 109.5° |
| O1 | C12 | C11 | 113.2° | 120.0° |
| O1 | C12 | O2 | 123.2° | 120.0° |
| C22 | C10 | C11 | 106.3° | 106.5° |
| C10 | C22 | C21 | 134.6° | 133.5° |
| C10 | C22 | C17 | 106.6° | 106.5° |
| C10 | C11 | C12 | 134.2° | 125.5° |
| C10 | C11 | N5 | 109.5° | 108.9° |
| C22 | C21 | C20 | 118.0° | 119.7° |
| C21 | C22 | C17 | 118.8° | 120.0° |
| C22 | C21 | H31 | 121.0° | 120.2° |
| C21 | C20 | F | 117.7° | 119.8° |
| C21 | C20 | C19 | 123.9° | 120.3° |
| C20 | C21 | H31 | 121.0° | 120.1° |
| C22 | C17 | N5 | 108.5° | 108.0° |
| C22 | C17 | C18 | 121.8° | 119.3° |
| F | C20 | C19 | 118.3° | 119.9° |
| C12 | C11 | N5 | 116.2° | 125.5° |
| C11 | C12 | O2 | 123.6° | 120.0° |
| C11 | N5 | C17 | 109.1° | 110.0° |
| C11 | N5 | H44 | 125.4° | 124.9° |
| C20 | C19 | C18 | 118.5° | 120.6° |
| C20 | C19 | H30 | 120.7° | 119.6° |
| N5 | C17 | C18 | 129.7° | 132.6° |
| C17 | N5 | H44 | 125.4° | 125.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C17 | C18 | H26 | 120.5° | 120.0° |
| C19 | C18 | H26 | 120.5° | 120.0° |
| C18 | C19 | H30 | 120.8° | 119.7° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H10 | C4 | H11 | 109.4° | 109.4° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H17 | C5 | H18 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.4° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.5° |
| H27 | C16 | H29 | 109.4° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H33 | C27 | H34 | 109.4° | 109.5° |
| H36 | C29 | H37 | 109.4° | 109.5° |
| H36 | C29 | H38 | 109.4° | 109.5° |
| H37 | C29 | H38 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H39 | C30 | H41 | 109.5° | 109.5° |
| H40 | C30 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N1 | H10 | 120.3° | 120.0° |
| C5 | C4 | N1 | H11 | 120.3° | 120.0° |
| C5 | C4 | N1 | C1 | 171.0° | 174.2° |
| C4 | C5 | C6 | H17 | 120.3° | 120.0° |
| C4 | C5 | C6 | H18 | 120.3° | 119.9° |
| C5 | C4 | N1 | C2 | 62.5° | 61.8° |
| C4 | C5 | C6 | C7 | 179.7° | 177.6° |
| C4 | C5 | C6 | C3 | 51.7° | 57.7° |
| C5 | C4 | H10 | H11 | 119.3° | 119.9° |
| C4 | C5 | C6 | H16 | 64.1° | 62.3° |
| C4 | C5 | H17 | H18 | 119.0° | 120.1° |
| C4 | N1 | C1 | C2 | 123.8° | 124.1° |
| C4 | N1 | C1 | C | 113.8° | 170.0° |
| N1 | C4 | C5 | C6 | 58.8° | 59.2° |
| C4 | N1 | C2 | C3 | 60.9° | 61.7° |
| C4 | N1 | C1 | H4 | 7.1° | 50.1° |
| C4 | N1 | C1 | H5 | 125.4° | 70.0° |
| C4 | N1 | C2 | H6 | 59.3° | 178.3° |
| C4 | N1 | C2 | H7 | 178.9° | 58.2° |
| N1 | C4 | H10 | H11 | 119.3° | 120.0° |
| N1 | C4 | C5 | H17 | 61.5° | 60.7° |
| N1 | C4 | C5 | H18 | 179.2° | 179.1° |
| O3 | S | C23 | C24 | 48.9° | 156.4° |
| O3 | S | N | C | 6.9° | 48.5° |
| O3 | S | C23 | N | 114.9° | 113.6° |
| O3 | S | C23 | O | 130.0° | 132.9° |
| O3 | S | N | O | 128.8° | 132.9° |
| O3 | S | C23 | C32 | 129.7° | 23.5° |
| O3 | S | N | H12 | 115.0° | 131.5° |
| N1 | C1 | C | H4 | 120.9° | 120.0° |
| N1 | C1 | C | H5 | 120.9° | 120.1° |
| N1 | C1 | C | N | 99.7° | 180.0° |
| C1 | N1 | C2 | C3 | 173.7° | 174.2° |
| N1 | C1 | H4 | H5 | 117.3° | 120.1° |
| C1 | N1 | C2 | H6 | 66.1° | 54.2° |
| C1 | N1 | C2 | H7 | 53.5° | 65.8° |
| N1 | C1 | C | H8 | 20.6° | 59.9° |
| N1 | C1 | C | H9 | 140.0° | 60.1° |
| C1 | N1 | C4 | H10 | 68.7° | 65.8° |
| C1 | N1 | C4 | H11 | 50.8° | 54.2° |
| C | C1 | N1 | C2 | 10.0° | 65.9° |
| C1 | C | N | H8 | 120.3° | 120.1° |
| C1 | C | N | H9 | 120.3° | 120.0° |
| C1 | C | N | S | 65.9° | 165.0° |
| C | C1 | H4 | H5 | 117.3° | 120.0° |
| C1 | C | H8 | H9 | 119.2° | 120.0° |
| C1 | C | N | H12 | 56.0° | 15.0° |
| C5 | C6 | C7 | C3 | 125.5° | 119.7° |
| C5 | C6 | C7 | H16 | 116.9° | 120.2° |
| C5 | C6 | C3 | H16 | 115.8° | 120.0° |
| C5 | C6 | C3 | C2 | 50.7° | 57.7° |
| C5 | C6 | C7 | N2 | 118.5° | 65.3° |
| C5 | C6 | C3 | H2 | 69.7° | 177.6° |
| C5 | C6 | C3 | H3 | 171.1° | 62.3° |
| C6 | C5 | C4 | H10 | 61.4° | 60.9° |
| C6 | C5 | C4 | H11 | 179.1° | 179.3° |
| C5 | C6 | C7 | H14 | 2.9° | 174.7° |
| C5 | C6 | C7 | H15 | 120.0° | 54.7° |
| C6 | C5 | H17 | H18 | 119.1° | 120.1° |
| N1 | C2 | C3 | C6 | 56.4° | 59.2° |
| N1 | C2 | C3 | H6 | 120.2° | 120.0° |
| N1 | C2 | C3 | H7 | 120.2° | 120.0° |
| N1 | C2 | C3 | H2 | 64.0° | 179.1° |
| N1 | C2 | C3 | H3 | 176.9° | 60.8° |
| C2 | N1 | C1 | H4 | 130.9° | 174.2° |
| C2 | N1 | C1 | H5 | 110.8° | 54.2° |
| N1 | C2 | H6 | H7 | 119.4° | 120.0° |
| C2 | N1 | C4 | H10 | 57.8° | 58.2° |
| C2 | N1 | C4 | H11 | 177.3° | 178.2° |
| C25 | C24 | C23 | H1 | 180.0° | 179.8° |
| C24 | C25 | C26 | H32 | 180.0° | 179.9° |
| C25 | C24 | C23 | S | 177.3° | 179.9° |
| C25 | C24 | C23 | C32 | 1.4° | 0.0° |
| C24 | C25 | C26 | C27 | 175.5° | 179.9° |
| C24 | C25 | C26 | C31 | 1.3° | 0.1° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | S | C32 | 178.6° | 179.9° |
| C24 | C23 | S | N | 163.8° | 90.0° |
| C24 | C23 | S | O | 81.1° | 23.5° |
| C24 | C23 | C32 | C31 | 1.3° | 0.0° |
| C23 | C24 | C25 | H32 | 179.9° | 180.0° |
| C24 | C23 | C32 | H43 | 178.7° | 180.0° |
| C | N | S | C23 | 108.6° | 65.0° |
| C | N | S | H12 | 121.9° | 180.0° |
| C | N | S | O | 135.7° | 178.6° |
| N | C | C1 | H4 | 139.5° | 60.0° |
| N | C | C1 | H5 | 21.2° | 59.9° |
| N | C | H8 | H9 | 119.1° | 119.9° |
| C25 | C26 | C27 | C31 | 176.7° | 179.9° |
| C25 | C26 | C27 | C28 | 113.7° | 90.0° |
| C25 | C26 | C31 | C32 | 1.4° | 0.1° |
| C26 | C25 | C24 | H1 | 179.9° | 179.7° |
| C25 | C26 | C27 | H33 | 125.3° | 150.0° |
| C25 | C26 | C27 | H34 | 7.2° | 30.0° |
| C25 | C26 | C31 | H42 | 178.6° | 180.0° |
| C23 | S | N | O | 115.7° | 113.5° |
| S | C23 | C32 | C31 | 177.4° | 179.9° |
| S | C23 | C24 | H1 | 2.7° | 0.3° |
| C23 | S | N | H12 | 129.5° | 115.0° |
| S | C23 | C32 | H43 | 2.7° | 0.0° |
| N | S | C23 | C32 | 14.8° | 90.1° |
| S | N | C | H8 | 173.8° | 44.9° |
| S | N | C | H9 | 54.4° | 75.0° |
| O | S | C23 | C32 | 100.2° | 156.4° |
| O | S | N | H12 | 13.8° | 1.5° |
| C23 | C32 | C31 | C26 | 0.1° | 0.1° |
| C23 | C32 | C31 | H43 | 180.0° | 179.9° |
| C32 | C23 | C24 | H1 | 178.6° | 179.8° |
| C23 | C32 | C31 | H42 | 179.9° | 180.0° |
| C26 | C27 | C28 | H33 | 121.0° | 120.0° |
| C26 | C27 | C28 | H34 | 120.9° | 120.0° |
| C27 | C26 | C31 | C32 | 175.4° | 179.9° |
| C26 | C27 | C28 | C29 | 135.9° | 175.0° |
| C26 | C27 | C28 | C30 | 13.0° | 65.0° |
| C27 | C26 | C25 | H32 | 4.5° | 0.0° |
| C26 | C27 | H33 | H34 | 117.1° | 120.1° |
| C26 | C27 | C28 | H35 | 105.7° | 55.0° |
| C27 | C26 | C31 | H42 | 4.6° | 0.1° |
| C31 | C26 | C27 | C28 | 69.6° | 90.0° |
| C26 | C31 | C32 | H42 | 180.0° | 179.9° |
| C31 | C26 | C25 | H32 | 178.7° | 179.9° |
| C31 | C26 | C27 | H33 | 51.4° | 30.0° |
| C31 | C26 | C27 | H34 | 169.5° | 150.1° |
| C26 | C31 | C32 | H43 | 179.9° | 180.0° |
| C7 | C6 | C3 | H16 | 117.0° | 120.1° |
| C7 | C6 | C3 | C2 | 177.9° | 177.5° |
| C6 | C7 | N2 | H14 | 121.5° | 120.0° |
| C6 | C7 | N2 | H15 | 121.5° | 120.1° |
| C6 | C7 | N2 | N3 | 81.5° | 55.0° |
| C6 | C7 | N2 | C8 | 98.5° | 125.0° |
| C7 | C6 | C3 | H2 | 57.5° | 62.6° |
| C7 | C6 | C3 | H3 | 61.6° | 57.6° |
| C6 | C7 | H14 | H15 | 115.2° | 120.0° |
| C7 | C6 | C5 | H17 | 59.4° | 57.6° |
| C7 | C6 | C5 | H18 | 60.0° | 62.5° |
| C6 | C3 | C2 | H2 | 120.4° | 119.9° |
| C6 | C3 | C2 | H3 | 120.4° | 120.0° |
| C3 | C6 | C7 | N2 | 6.9° | 175.0° |
| C6 | C3 | H2 | H3 | 118.7° | 120.1° |
| C6 | C3 | C2 | H6 | 63.8° | 179.2° |
| C6 | C3 | C2 | H7 | 176.7° | 60.8° |
| C3 | C6 | C7 | H14 | 128.4° | 55.0° |
| C3 | C6 | C7 | H15 | 114.6° | 65.0° |
| C3 | C6 | C5 | H17 | 68.6° | 62.3° |
| C3 | C6 | C5 | H18 | 172.0° | 177.6° |
| C27 | C28 | C29 | C30 | 123.1° | 120.0° |
| C27 | C28 | C29 | H35 | 118.4° | 120.0° |
| C27 | C28 | C30 | H35 | 118.7° | 120.0° |
| C28 | C27 | H33 | H34 | 117.1° | 119.9° |
| C27 | C28 | C29 | H36 | 180.0° | 60.0° |
| C27 | C28 | C29 | H37 | 60.0° | 180.0° |
| C27 | C28 | C29 | H38 | 60.0° | 60.0° |
| C27 | C28 | C30 | H39 | 180.0° | 60.0° |
| C27 | C28 | C30 | H40 | 60.0° | 60.0° |
| C27 | C28 | C30 | H41 | 60.0° | 180.0° |
| C2 | C3 | H2 | H3 | 118.7° | 120.1° |
| C3 | C2 | H6 | H7 | 119.4° | 120.0° |
| C2 | C3 | C6 | H16 | 65.1° | 62.3° |
| C7 | N2 | N3 | C8 | 179.9° | 180.0° |
| C7 | N2 | N3 | N4 | 179.6° | 179.7° |
| C7 | N2 | C8 | C9 | 179.4° | 180.0° |
| C7 | N2 | C8 | H13 | 0.6° | 0.0° |
| N2 | C7 | H14 | H15 | 115.2° | 120.0° |
| N2 | C7 | C6 | H16 | 124.6° | 54.8° |
| C29 | C28 | C30 | H35 | 118.5° | 120.0° |
| C29 | C28 | C27 | H33 | 103.1° | 55.0° |
| C29 | C28 | C27 | H34 | 15.0° | 65.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H38 | 120.0° | 120.0° |
| C28 | C29 | H37 | H38 | 120.0° | 120.0° |
| C29 | C28 | C30 | H39 | 57.1° | 60.0° |
| C29 | C28 | C30 | H40 | 62.9° | 180.0° |
| C29 | C28 | C30 | H41 | 177.2° | 60.0° |
| C30 | C28 | C27 | H33 | 134.0° | 175.0° |
| C30 | C28 | C27 | H34 | 107.9° | 55.0° |
| C30 | C28 | C29 | H36 | 56.9° | 60.0° |
| C30 | C28 | C29 | H37 | 176.9° | 60.0° |
| C30 | C28 | C29 | H38 | 63.1° | 180.0° |
| C28 | C30 | H39 | H40 | 120.0° | 119.9° |
| C28 | C30 | H39 | H41 | 120.0° | 120.0° |
| C28 | C30 | H40 | H41 | 120.0° | 120.0° |
| N2 | N3 | N4 | C9 | 0.1° | 0.5° |
| N3 | N2 | C8 | C9 | 0.6° | 0.0° |
| N3 | N2 | C8 | H13 | 179.4° | 180.0° |
| N3 | N2 | C7 | H14 | 40.0° | 174.9° |
| N3 | N2 | C7 | H15 | 157.0° | 65.1° |
| C8 | N2 | N3 | N4 | 0.4° | 0.3° |
| N2 | C8 | C9 | N4 | 0.6° | 0.2° |
| N2 | C8 | C9 | H13 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 175.6° | 180.0° |
| C8 | N2 | C7 | H14 | 140.0° | 5.0° |
| C8 | N2 | C7 | H15 | 22.9° | 115.0° |
| N3 | N4 | C9 | C8 | 0.3° | 0.4° |
| N3 | N4 | C9 | C10 | 176.4° | 179.8° |
| C16 | C14 | C15 | C13 | 120.9° | 119.9° |
| C16 | C14 | C15 | H19 | 119.5° | 120.1° |
| C16 | C14 | C13 | H19 | 119.3° | 120.0° |
| C16 | C14 | C13 | O1 | 42.4° | 65.0° |
| C16 | C14 | C13 | H20 | 162.2° | 175.0° |
| C16 | C14 | C13 | H21 | 77.5° | 55.0° |
| C16 | C14 | C15 | H23 | 180.0° | 60.0° |
| C16 | C14 | C15 | H24 | 60.0° | 60.1° |
| C16 | C14 | C15 | H25 | 60.0° | 180.0° |
| C14 | C16 | H27 | H28 | 120.0° | 120.0° |
| C14 | C16 | H27 | H29 | 120.0° | 119.9° |
| C14 | C16 | H28 | H29 | 120.0° | 119.9° |
| N4 | C9 | C8 | C10 | 176.2° | 179.8° |
| N4 | C9 | C10 | C22 | 15.2° | 132.4° |
| N4 | C9 | C10 | C11 | 170.6° | 47.8° |
| N4 | C9 | C8 | H13 | 179.4° | 179.7° |
| C8 | C9 | C10 | C22 | 160.6° | 47.3° |
| C8 | C9 | C10 | C11 | 13.6° | 132.5° |
| C15 | C14 | C13 | H19 | 119.6° | 120.0° |
| C15 | C14 | C13 | O1 | 163.4° | 175.0° |
| C15 | C14 | C13 | H20 | 76.8° | 55.0° |
| C15 | C14 | C13 | H21 | 43.6° | 65.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H25 | 120.0° | 120.0° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | C14 | C16 | H27 | 180.0° | 59.9° |
| C15 | C14 | C16 | H28 | 60.0° | 180.0° |
| C15 | C14 | C16 | H29 | 60.0° | 60.0° |
| C14 | C13 | O1 | H20 | 119.8° | 120.0° |
| C14 | C13 | O1 | H21 | 119.8° | 120.0° |
| C14 | C13 | O1 | C12 | 165.5° | 180.0° |
| C14 | C13 | H20 | H21 | 120.6° | 120.0° |
| C13 | C14 | C15 | H23 | 59.1° | 60.0° |
| C13 | C14 | C15 | H24 | 179.2° | 180.0° |
| C13 | C14 | C15 | H25 | 60.8° | 60.0° |
| C13 | C14 | C16 | H27 | 58.7° | 60.0° |
| C13 | C14 | C16 | H28 | 61.3° | 60.0° |
| C13 | C14 | C16 | H29 | 178.7° | 180.0° |
| C9 | C10 | C22 | C11 | 175.6° | 179.8° |
| C9 | C10 | C22 | C21 | 3.3° | 0.0° |
| C9 | C10 | C22 | C17 | 174.9° | 180.0° |
| C9 | C10 | C11 | C12 | 2.0° | 0.1° |
| C9 | C10 | C11 | N5 | 174.5° | 180.0° |
| C10 | C9 | C8 | H13 | 4.3° | 0.0° |
| C13 | O1 | C12 | C11 | 177.5° | 180.0° |
| C13 | O1 | C12 | O2 | 1.5° | 0.0° |
| O1 | C13 | C14 | H19 | 77.0° | 55.0° |
| O1 | C13 | H20 | H21 | 120.6° | 120.0° |
| O1 | C12 | C11 | C10 | 18.4° | 174.7° |
| O1 | C12 | C11 | O2 | 179.0° | 180.0° |
| O1 | C12 | C11 | N5 | 165.3° | 5.4° |
| C12 | O1 | C13 | H20 | 45.7° | 60.0° |
| C12 | O1 | C13 | H21 | 74.7° | 60.0° |
| C10 | C22 | C21 | C17 | 178.1° | 180.0° |
| C10 | C22 | C21 | C20 | 177.3° | 180.0° |
| C22 | C10 | C11 | C12 | 176.9° | 179.7° |
| C22 | C10 | C11 | N5 | 0.4° | 0.2° |
| C10 | C22 | C17 | N5 | 0.7° | 0.2° |
| C10 | C22 | C17 | C18 | 178.2° | 180.0° |
| C10 | C22 | C21 | H31 | 2.7° | 0.0° |
| C11 | C10 | C22 | C21 | 178.9° | 179.8° |
| C11 | C10 | C22 | C17 | 0.7° | 0.2° |
| C10 | C11 | C12 | N5 | 176.3° | 179.9° |
| C10 | C11 | C12 | O2 | 160.6° | 5.3° |
| C10 | C11 | N5 | C17 | 0.0° | 0.1° |
| C10 | C11 | N5 | H44 | 180.0° | 180.0° |
| C22 | C21 | C20 | H31 | 180.0° | 180.0° |
| C22 | C21 | C20 | F | 179.1° | 180.0° |
| C22 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C22 | C17 | N5 | 179.2° | 179.8° |
| C21 | C22 | C17 | C18 | 0.3° | 0.0° |
| C20 | C21 | C22 | C17 | 0.7° | 0.0° |
| C21 | C20 | F | C19 | 179.7° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C21 | C20 | C19 | H30 | 180.0° | 180.0° |
| C22 | C17 | N5 | C11 | 0.4° | 0.1° |
| C22 | C17 | N5 | C18 | 178.8° | 179.8° |
| C22 | C17 | C18 | C19 | 0.3° | 0.1° |
| C22 | C17 | C18 | H26 | 179.7° | 180.0° |
| C17 | C22 | C21 | H31 | 179.3° | 180.0° |
| C22 | C17 | N5 | H44 | 179.6° | 179.9° |
| F | C20 | C19 | C18 | 179.7° | 179.9° |
| F | C20 | C19 | H30 | 0.3° | 0.0° |
| F | C20 | C21 | H31 | 1.0° | 0.0° |
| C12 | C11 | N5 | C17 | 177.2° | 179.8° |
| C12 | C11 | N5 | H44 | 2.8° | 0.1° |
| N5 | C11 | C12 | O2 | 15.7° | 174.6° |
| C11 | N5 | C17 | H44 | 180.0° | 179.9° |
| C11 | N5 | C17 | C18 | 178.4° | 179.9° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C20 | C19 | C18 | H30 | 180.0° | 179.9° |
| C20 | C19 | C18 | H26 | 179.5° | 180.0° |
| C19 | C20 | C21 | H31 | 179.4° | 180.0° |
| N5 | C17 | C18 | C19 | 178.4° | 179.7° |
| N5 | C17 | C18 | H26 | 1.7° | 0.2° |
| C17 | C18 | C19 | H26 | 180.0° | 179.9° |
| C17 | C18 | C19 | H30 | 179.6° | 180.0° |
| C18 | C17 | N5 | H44 | 1.6° | 0.0° |
| H1 | C24 | C25 | H32 | 0.1° | 0.2° |
| H2 | C3 | C2 | H6 | 175.8° | 60.9° |
| H2 | C3 | C2 | H7 | 56.2° | 59.1° |
| H2 | C3 | C6 | H16 | 174.5° | 57.6° |
| H3 | C3 | C2 | H6 | 56.6° | 59.2° |
| H3 | C3 | C2 | H7 | 62.9° | 179.2° |
| H3 | C3 | C6 | H16 | 55.4° | 177.7° |
| H4 | C1 | C | H8 | 100.3° | 60.0° |
| H4 | C1 | C | H9 | 19.2° | 180.0° |
| H5 | C1 | C | H8 | 141.4° | 180.0° |
| H5 | C1 | C | H9 | 99.1° | 60.0° |
| H8 | C | N | H12 | 64.3° | 135.0° |
| H9 | C | N | H12 | 176.3° | 105.0° |
| H10 | C4 | C5 | H17 | 178.3° | 179.2° |
| H10 | C4 | C5 | H18 | 58.9° | 59.0° |
| H11 | C4 | C5 | H17 | 58.8° | 59.3° |
| H11 | C4 | C5 | H18 | 60.6° | 60.8° |
| H14 | C7 | C6 | H16 | 113.9° | 65.1° |
| H15 | C7 | C6 | H16 | 3.1° | 174.9° |
| H16 | C6 | C5 | H17 | 175.6° | 177.7° |
| H16 | C6 | C5 | H18 | 56.2° | 57.6° |
| H19 | C14 | C13 | H20 | 42.8° | 65.0° |
| H19 | C14 | C13 | H21 | 163.2° | 175.0° |
| H19 | C14 | C15 | H23 | 60.5° | 180.0° |
| H19 | C14 | C15 | H24 | 59.5° | 60.0° |
| H19 | C14 | C15 | H25 | 179.5° | 60.0° |
| H19 | C14 | C16 | H27 | 60.5° | 180.0° |
| H19 | C14 | C16 | H28 | 179.4° | 59.9° |
| H19 | C14 | C16 | H29 | 59.4° | 60.0° |
| H23 | C15 | H24 | H25 | 120.0° | 120.1° |
| H26 | C18 | C19 | H30 | 0.5° | 0.1° |
| H27 | C16 | H28 | H29 | 119.9° | 120.1° |
| H33 | C27 | C28 | H35 | 15.2° | 65.0° |
| H34 | C27 | C28 | H35 | 133.3° | 175.0° |
| H35 | C28 | C29 | H36 | 61.6° | 180.0° |
| H35 | C28 | C29 | H37 | 58.4° | 60.0° |
| H35 | C28 | C29 | H38 | 178.4° | 60.0° |
| H35 | C28 | C30 | H39 | 61.3° | 179.9° |
| H35 | C28 | C30 | H40 | 178.7° | 60.0° |
| H35 | C28 | C30 | H41 | 58.7° | 60.0° |
| H36 | C29 | H37 | H38 | 119.9° | 120.0° |
| H39 | C30 | H40 | H41 | 120.0° | 120.1° |
| H42 | C31 | C32 | H43 | 0.1° | 0.1° |
