EX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | S | sing | 1.81Å | 1.78Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | sing | 1.47Å | 1.48Å | |
| N3 | C19 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C15 | sing | 1.47Å | 1.48Å | |
| C3 | C | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | N | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C8 | sing | 1.53Å | 1.52Å | |
| N1 | S | sing | 1.66Å | 1.62Å | |
| N1 | C11 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| S | O | doub | 1.42Å | 1.42Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| C5 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| N | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| N | C8 | sing | 1.47Å | 1.48Å | |
| C | F | sing | 1.35Å | 1.36Å | |
| C | C1 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C11 | sing | 1.53Å | 1.51Å | |
| C7 | C20 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | doub | 1.34Å | 1.35Å | Aromatic |
| C24 | C21 | sing | 1.46Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| N4 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C25 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N2 | C14 | 111.9° | 111.0° |
| C16 | N2 | C15 | 110.3° | 111.0° |
| N2 | C16 | H12 | 109.5° | 109.5° |
| N2 | C16 | H13 | 109.5° | 109.5° |
| N2 | C16 | H14 | 109.4° | 109.4° |
| C13 | C12 | S | 114.2° | 109.5° |
| C12 | C13 | C14 | 111.3° | 109.5° |
| C13 | C12 | H5 | 108.3° | 109.4° |
| C13 | C12 | H6 | 108.3° | 109.4° |
| C12 | C13 | H7 | 109.0° | 109.5° |
| C12 | C13 | H8 | 109.0° | 109.5° |
| C12 | S | N1 | 107.0° | 104.4° |
| C12 | S | O | 107.5° | 110.6° |
| C12 | S | O1 | 108.5° | 110.6° |
| S | C12 | H5 | 108.3° | 109.5° |
| S | C12 | H6 | 108.2° | 109.5° |
| C13 | C14 | N2 | 113.7° | 109.5° |
| C14 | C13 | H7 | 109.0° | 109.4° |
| C14 | C13 | H8 | 109.0° | 109.5° |
| C13 | C14 | H9 | 108.4° | 109.4° |
| C13 | C14 | H10 | 108.4° | 109.5° |
| C14 | N2 | C15 | 112.1° | 111.0° |
| N2 | C14 | H9 | 108.4° | 109.5° |
| N2 | C14 | H10 | 108.4° | 109.5° |
| C19 | N3 | C6 | 105.3° | 109.6° |
| N3 | C19 | N | 112.9° | 109.6° |
| N3 | C19 | H28 | 123.6° | 125.2° |
| N3 | C6 | C5 | 120.0° | 126.3° |
| N3 | C6 | C7 | 110.3° | 107.4° |
| C3 | C4 | C5 | 120.7° | 119.9° |
| C4 | C3 | C | 118.3° | 120.1° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C4 | C3 | H30 | 120.9° | 119.9° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C4 | C5 | C2 | 118.9° | 119.8° |
| C5 | C4 | H3 | 119.6° | 120.1° |
| N2 | C15 | H15 | 109.5° | 109.5° |
| N2 | C15 | H16 | 109.5° | 109.5° |
| N2 | C15 | H17 | 109.4° | 109.5° |
| C3 | C | F | 118.6° | 119.9° |
| C3 | C | C1 | 122.9° | 120.2° |
| C | C3 | H30 | 120.8° | 120.0° |
| C19 | N | C7 | 106.0° | 107.4° |
| C19 | N | C8 | 128.1° | 126.3° |
| N | C19 | H28 | 123.5° | 125.2° |
| C17 | C18 | C8 | 108.0° | 109.5° |
| C18 | C17 | C11 | 111.1° | 109.5° |
| C18 | C17 | H23 | 109.1° | 109.5° |
| C18 | C17 | H24 | 109.0° | 109.5° |
| C17 | C18 | H25 | 109.9° | 109.5° |
| C17 | C18 | H26 | 109.8° | 109.5° |
| C18 | C8 | N | 111.9° | 109.5° |
| C18 | C8 | C9 | 111.8° | 109.5° |
| C8 | C18 | H25 | 109.9° | 109.4° |
| C8 | C18 | H26 | 109.9° | 109.5° |
| C18 | C8 | H27 | 107.0° | 109.5° |
| S | N1 | C11 | 124.2° | 120.0° |
| N1 | S | O | 107.1° | 104.3° |
| N1 | S | O1 | 106.9° | 104.3° |
| S | N1 | H1 | 105.7° | 120.0° |
| N1 | C11 | C17 | 109.3° | 109.5° |
| N1 | C11 | C10 | 110.0° | 109.5° |
| C11 | N1 | H1 | 105.7° | 120.0° |
| N1 | C11 | H18 | 109.4° | 109.5° |
| C5 | C6 | C7 | 129.5° | 126.3° |
| C6 | C5 | C2 | 120.1° | 120.1° |
| C6 | C7 | N | 105.5° | 106.1° |
| C6 | C7 | C20 | 129.9° | 126.9° |
| O | S | O1 | 119.3° | 121.0° |
| C5 | C2 | C1 | 120.9° | 119.9° |
| C5 | C2 | H2 | 119.6° | 120.1° |
| C7 | N | C8 | 125.8° | 126.3° |
| N | C7 | C20 | 124.6° | 126.9° |
| N | C8 | C9 | 111.5° | 109.5° |
| N | C8 | H27 | 107.4° | 109.4° |
| F | C | C1 | 118.5° | 119.9° |
| C | C1 | C2 | 118.3° | 120.2° |
| C | C1 | H29 | 120.9° | 119.9° |
| C17 | C11 | C10 | 110.7° | 109.5° |
| C17 | C11 | H18 | 108.8° | 109.4° |
| C11 | C17 | H23 | 109.1° | 109.5° |
| C11 | C17 | H24 | 109.1° | 109.5° |
| C7 | C20 | C21 | 122.4° | 121.1° |
| C7 | C20 | C26 | 118.9° | 121.1° |
| C8 | C9 | C10 | 111.2° | 109.5° |
| C8 | C9 | H21 | 109.0° | 109.5° |
| C8 | C9 | H22 | 109.0° | 109.4° |
| C9 | C8 | H27 | 106.9° | 109.4° |
| C11 | C10 | C9 | 112.1° | 109.5° |
| C10 | C11 | H18 | 108.7° | 109.5° |
| C11 | C10 | H19 | 108.8° | 109.4° |
| C11 | C10 | H20 | 108.8° | 109.5° |
| C23 | C24 | C21 | 106.7° | 106.9° |
| C24 | C23 | N4 | 110.2° | 109.8° |
| C24 | C23 | H33 | 124.9° | 125.1° |
| C23 | C24 | H34 | 126.7° | 126.6° |
| C24 | C21 | C20 | 135.0° | 134.3° |
| C24 | C21 | C22 | 106.8° | 106.4° |
| C21 | C24 | H34 | 126.6° | 126.6° |
| C9 | C10 | H19 | 108.8° | 109.5° |
| C9 | C10 | H20 | 108.8° | 109.5° |
| C10 | C9 | H21 | 109.0° | 109.5° |
| C10 | C9 | H22 | 109.1° | 109.4° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| C2 | C1 | H29 | 120.9° | 120.0° |
| C23 | N4 | C22 | 108.0° | 110.0° |
| C23 | N4 | H4 | 126.0° | 125.1° |
| N4 | C23 | H33 | 124.9° | 125.0° |
| C21 | C20 | C26 | 118.5° | 117.8° |
| C20 | C21 | C22 | 117.5° | 119.3° |
| C20 | C26 | C25 | 118.7° | 119.2° |
| C20 | C26 | H31 | 120.6° | 120.4° |
| C21 | C22 | N4 | 108.2° | 107.0° |
| C21 | C22 | N5 | 124.5° | 119.9° |
| N4 | C22 | N5 | 127.1° | 133.1° |
| C22 | N4 | H4 | 126.0° | 125.0° |
| C26 | C25 | N5 | 124.2° | 121.8° |
| C25 | C26 | H31 | 120.7° | 120.4° |
| C26 | C25 | H32 | 117.9° | 119.1° |
| C22 | N5 | C25 | 116.4° | 122.1° |
| N5 | C25 | H32 | 117.9° | 119.1° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.4° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N2 | C14 | C13 | 104.6° | 66.0° |
| C16 | N2 | C14 | C15 | 124.5° | 123.9° |
| C16 | N2 | C14 | H9 | 16.1° | 53.9° |
| C16 | N2 | C14 | H10 | 134.8° | 173.9° |
| N2 | C16 | H12 | H13 | 120.0° | 120.0° |
| N2 | C16 | H12 | H14 | 120.0° | 119.9° |
| N2 | C16 | H13 | H14 | 120.0° | 119.9° |
| C16 | N2 | C15 | H15 | 180.0° | 176.1° |
| C16 | N2 | C15 | H16 | 60.0° | 56.0° |
| C16 | N2 | C15 | H17 | 60.0° | 64.0° |
| C13 | C12 | S | H5 | 120.7° | 120.0° |
| C13 | C12 | S | H6 | 120.7° | 120.0° |
| C12 | C13 | C14 | H7 | 120.3° | 120.0° |
| C12 | C13 | C14 | H8 | 120.3° | 120.0° |
| C12 | C13 | C14 | N2 | 155.2° | 180.0° |
| C13 | C12 | S | N1 | 115.4° | 180.0° |
| C13 | C12 | S | O | 129.9° | 68.4° |
| C13 | C12 | S | O1 | 0.4° | 68.4° |
| C13 | C12 | H5 | H6 | 117.9° | 120.0° |
| C12 | C13 | H7 | H8 | 119.2° | 120.0° |
| C12 | C13 | C14 | H9 | 84.1° | 60.0° |
| C12 | C13 | C14 | H10 | 34.6° | 60.0° |
| S | C12 | C13 | C14 | 98.4° | 180.0° |
| C12 | S | N1 | O | 115.0° | 116.1° |
| C12 | S | N1 | O1 | 116.1° | 116.1° |
| C12 | S | N1 | C11 | 168.5° | 65.0° |
| C12 | S | O | O1 | 124.0° | 131.6° |
| C12 | S | N1 | H1 | 46.5° | 115.3° |
| S | C12 | H5 | H6 | 117.8° | 120.1° |
| S | C12 | C13 | H7 | 21.8° | 60.0° |
| S | C12 | C13 | H8 | 141.3° | 59.9° |
| C13 | C14 | N2 | H9 | 120.6° | 120.0° |
| C13 | C14 | N2 | H10 | 120.7° | 120.1° |
| C13 | C14 | N2 | C15 | 130.9° | 170.0° |
| C14 | C13 | C12 | H5 | 22.3° | 60.0° |
| C14 | C13 | C12 | H6 | 140.9° | 60.0° |
| C14 | C13 | H7 | H8 | 119.2° | 120.0° |
| C13 | C14 | H9 | H10 | 118.1° | 120.0° |
| N2 | C14 | C13 | H7 | 35.0° | 60.0° |
| N2 | C14 | C13 | H8 | 84.5° | 59.9° |
| N2 | C14 | H9 | H10 | 118.1° | 120.0° |
| C14 | N2 | C16 | H12 | 180.0° | 60.0° |
| C14 | N2 | C16 | H13 | 60.0° | 180.0° |
| C14 | N2 | C16 | H14 | 60.0° | 60.0° |
| C14 | N2 | C15 | H15 | 54.6° | 59.9° |
| C14 | N2 | C15 | H16 | 174.6° | 180.0° |
| C14 | N2 | C15 | H17 | 65.4° | 60.0° |
| N3 | C19 | N | H28 | 180.0° | 179.9° |
| C19 | N3 | C6 | C5 | 173.0° | 179.9° |
| C19 | N3 | C6 | C7 | 1.5° | 0.0° |
| N3 | C19 | N | C7 | 0.9° | 0.0° |
| N3 | C19 | N | C8 | 176.4° | 180.0° |
| N3 | C6 | C5 | C4 | 46.8° | 35.0° |
| C6 | N3 | C19 | N | 0.3° | 0.0° |
| N3 | C6 | C5 | C7 | 173.3° | 180.0° |
| N3 | C6 | C5 | C2 | 135.7° | 145.0° |
| N3 | C6 | C7 | N | 2.0° | 0.0° |
| N3 | C6 | C7 | C20 | 177.3° | 180.0° |
| C6 | N3 | C19 | H28 | 179.6° | 179.9° |
| C3 | C4 | C5 | H3 | 180.0° | 179.1° |
| C4 | C3 | C | H30 | 180.0° | 179.1° |
| C3 | C4 | C5 | C6 | 177.4° | 179.4° |
| C3 | C4 | C5 | C2 | 0.2° | 0.6° |
| C4 | C3 | C | F | 175.6° | 180.0° |
| C4 | C3 | C | C1 | 1.7° | 0.6° |
| C5 | C4 | C3 | C | 1.2° | 0.9° |
| C4 | C5 | C6 | C2 | 177.5° | 180.0° |
| C4 | C5 | C6 | C7 | 140.0° | 145.0° |
| C4 | C5 | C2 | C1 | 0.5° | 0.1° |
| C4 | C5 | C2 | H2 | 179.5° | 179.8° |
| C5 | C4 | C3 | H30 | 178.8° | 180.0° |
| C15 | N2 | C14 | H9 | 108.5° | 70.0° |
| C15 | N2 | C14 | H10 | 10.2° | 50.0° |
| C15 | N2 | C16 | H12 | 54.5° | 64.0° |
| C15 | N2 | C16 | H13 | 174.5° | 56.1° |
| C15 | N2 | C16 | H14 | 65.5° | 176.0° |
| N2 | C15 | H15 | H16 | 120.0° | 120.0° |
| N2 | C15 | H15 | H17 | 120.0° | 119.9° |
| N2 | C15 | H16 | H17 | 120.0° | 120.0° |
| C3 | C | F | C1 | 177.4° | 179.4° |
| C3 | C | C1 | C2 | 1.0° | 0.1° |
| C | C3 | C4 | H3 | 178.8° | 180.0° |
| C3 | C | C1 | H29 | 179.0° | 180.0° |
| C19 | N | C8 | C18 | 41.9° | 60.0° |
| C19 | N | C7 | C6 | 1.7° | 0.0° |
| C19 | N | C7 | C8 | 177.3° | 180.0° |
| C19 | N | C7 | C20 | 177.7° | 180.0° |
| C19 | N | C8 | C9 | 84.2° | 60.1° |
| C19 | N | C8 | H27 | 159.0° | 180.0° |
| C17 | C18 | C8 | H25 | 119.8° | 120.0° |
| C17 | C18 | C8 | H26 | 119.8° | 120.0° |
| C18 | C17 | C11 | N1 | 95.2° | 60.0° |
| C17 | C18 | C8 | N | 170.4° | 180.0° |
| C18 | C17 | C11 | H23 | 120.2° | 120.0° |
| C18 | C17 | C11 | H24 | 120.2° | 120.0° |
| C17 | C18 | C8 | C9 | 44.5° | 60.0° |
| C18 | C17 | C11 | C10 | 26.2° | 60.0° |
| C18 | C17 | C11 | H18 | 145.5° | 180.0° |
| C18 | C17 | H23 | H24 | 119.2° | 120.0° |
| C17 | C18 | H25 | H26 | 120.7° | 120.0° |
| C17 | C18 | C8 | H27 | 72.2° | 60.0° |
| C18 | C8 | N | C7 | 141.4° | 120.0° |
| C18 | C8 | N | C9 | 126.1° | 120.1° |
| C18 | C8 | N | H27 | 117.1° | 120.0° |
| C8 | C18 | C17 | C11 | 69.2° | 60.0° |
| C18 | C8 | C9 | H27 | 116.8° | 120.0° |
| C18 | C8 | C9 | C10 | 16.7° | 60.0° |
| C18 | C8 | C9 | H21 | 137.0° | 180.0° |
| C18 | C8 | C9 | H22 | 103.6° | 60.0° |
| C8 | C18 | C17 | H23 | 51.0° | 180.0° |
| C8 | C18 | C17 | H24 | 170.6° | 60.0° |
| C8 | C18 | H25 | H26 | 120.7° | 120.0° |
| S | N1 | C11 | H1 | 122.0° | 179.6° |
| N1 | S | O | O1 | 121.4° | 116.7° |
| S | N1 | C11 | C17 | 173.7° | 95.0° |
| S | N1 | C11 | C10 | 52.0° | 145.0° |
| N1 | S | C12 | H5 | 123.9° | 60.1° |
| N1 | S | C12 | H6 | 5.3° | 60.0° |
| S | N1 | C11 | H18 | 67.3° | 25.0° |
| C11 | N1 | S | O | 53.5° | 51.1° |
| C11 | N1 | S | O1 | 75.5° | 178.9° |
| N1 | C11 | C17 | C10 | 121.3° | 120.0° |
| N1 | C11 | C17 | H18 | 119.3° | 120.0° |
| N1 | C11 | C10 | H18 | 119.7° | 120.0° |
| N1 | C11 | C10 | C9 | 157.6° | 60.0° |
| N1 | C11 | C10 | H19 | 82.0° | 180.0° |
| N1 | C11 | C10 | H20 | 37.2° | 60.0° |
| N1 | C11 | C17 | H23 | 144.6° | 60.0° |
| N1 | C11 | C17 | H24 | 25.1° | 180.0° |
| C5 | C6 | C7 | N | 171.8° | 179.9° |
| C5 | C6 | C7 | C20 | 8.9° | 0.0° |
| C6 | C5 | C2 | C1 | 178.1° | 179.9° |
| C6 | C5 | C2 | H2 | 1.9° | 0.2° |
| C6 | C5 | C4 | H3 | 2.6° | 0.3° |
| C7 | C6 | C5 | C2 | 37.6° | 35.0° |
| C6 | C7 | N | C20 | 179.3° | 179.9° |
| C6 | C7 | N | C8 | 175.6° | 180.0° |
| C6 | C7 | C20 | C21 | 40.5° | 90.0° |
| C6 | C7 | C20 | C26 | 135.1° | 89.9° |
| O | S | N1 | H1 | 68.5° | 128.5° |
| O | S | C12 | H5 | 9.2° | 51.6° |
| O | S | C12 | H6 | 109.4° | 171.7° |
| O1 | S | N1 | H1 | 162.5° | 0.7° |
| O1 | S | C12 | H5 | 121.1° | 171.7° |
| O1 | S | C12 | H6 | 120.3° | 51.6° |
| C5 | C2 | C1 | C | 0.1° | 0.2° |
| C5 | C2 | C1 | H2 | 180.0° | 179.8° |
| C2 | C5 | C4 | H3 | 179.8° | 179.8° |
| C5 | C2 | C1 | H29 | 179.8° | 179.7° |
| C7 | N | C8 | C9 | 92.5° | 119.9° |
| N | C7 | C20 | C21 | 138.6° | 89.9° |
| N | C7 | C20 | C26 | 45.7° | 90.1° |
| C7 | N | C8 | H27 | 24.3° | 0.0° |
| C7 | N | C19 | H28 | 179.1° | 179.9° |
| C8 | N | C7 | C20 | 5.0° | 0.0° |
| N | C8 | C9 | H27 | 117.1° | 119.9° |
| N | C8 | C9 | C10 | 109.4° | 180.0° |
| N | C8 | C9 | H21 | 10.9° | 60.0° |
| N | C8 | C9 | H22 | 130.3° | 60.1° |
| N | C8 | C18 | H25 | 50.6° | 60.0° |
| N | C8 | C18 | H26 | 69.9° | 60.0° |
| C8 | N | C19 | H28 | 3.6° | 0.1° |
| F | C | C1 | C2 | 176.3° | 179.5° |
| F | C | C1 | H29 | 3.7° | 0.6° |
| F | C | C3 | H30 | 4.4° | 0.8° |
| C | C1 | C2 | H29 | 180.0° | 179.9° |
| C | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C | C3 | H30 | 178.3° | 179.8° |
| C17 | C11 | C10 | H18 | 119.4° | 120.0° |
| C17 | C11 | C10 | C9 | 36.7° | 60.0° |
| C17 | C11 | N1 | H1 | 51.7° | 85.4° |
| C17 | C11 | C10 | H19 | 157.1° | 60.0° |
| C17 | C11 | C10 | H20 | 83.7° | 179.9° |
| C11 | C17 | H23 | H24 | 119.3° | 120.0° |
| C11 | C17 | C18 | H25 | 50.6° | 60.0° |
| C11 | C17 | C18 | H26 | 171.0° | 180.0° |
| C7 | C20 | C21 | C24 | 4.7° | 0.0° |
| C7 | C20 | C21 | C26 | 175.6° | 179.9° |
| C7 | C20 | C21 | C22 | 173.5° | 179.6° |
| C7 | C20 | C26 | C25 | 176.7° | 180.0° |
| C7 | C20 | C26 | H31 | 3.3° | 0.1° |
| C8 | C9 | C10 | C11 | 60.3° | 59.9° |
| C8 | C9 | C10 | H21 | 120.3° | 120.0° |
| C8 | C9 | C10 | H22 | 120.3° | 119.9° |
| C8 | C9 | C10 | H19 | 179.3° | 60.0° |
| C8 | C9 | C10 | H20 | 60.1° | 180.0° |
| C8 | C9 | H21 | H22 | 119.2° | 120.0° |
| C9 | C8 | C18 | H25 | 75.3° | 60.0° |
| C9 | C8 | C18 | H26 | 164.2° | 180.0° |
| C11 | C10 | C9 | H19 | 120.4° | 120.0° |
| C11 | C10 | C9 | H20 | 120.4° | 120.1° |
| C10 | C11 | N1 | H1 | 70.0° | 34.7° |
| C11 | C10 | H19 | H20 | 118.8° | 120.0° |
| C11 | C10 | C9 | H21 | 179.4° | 180.0° |
| C11 | C10 | C9 | H22 | 59.9° | 60.0° |
| C10 | C11 | C17 | H23 | 94.1° | 180.0° |
| C10 | C11 | C17 | H24 | 146.4° | 60.0° |
| C23 | C24 | C21 | H34 | 180.0° | 179.8° |
| C24 | C23 | N4 | H33 | 180.0° | 180.0° |
| C23 | C24 | C21 | C20 | 169.6° | 180.0° |
| C23 | C24 | C21 | C22 | 0.0° | 0.4° |
| C24 | C23 | N4 | C22 | 0.6° | 0.0° |
| C24 | C23 | N4 | H4 | 179.4° | 179.7° |
| C21 | C24 | C23 | N4 | 0.4° | 0.2° |
| C24 | C21 | C20 | C22 | 168.8° | 179.6° |
| C24 | C21 | C20 | C26 | 170.9° | 179.9° |
| C24 | C21 | C22 | N4 | 0.3° | 0.4° |
| C24 | C21 | C22 | N5 | 175.8° | 179.7° |
| C21 | C24 | C23 | H33 | 179.6° | 179.8° |
| C9 | C10 | C11 | H18 | 82.7° | 180.0° |
| C9 | C10 | H19 | H20 | 118.8° | 120.0° |
| C10 | C9 | H21 | H22 | 119.2° | 120.0° |
| C10 | C9 | C8 | H27 | 133.5° | 60.1° |
| C23 | N4 | C22 | C21 | 0.6° | 0.2° |
| C23 | N4 | C22 | H4 | 180.0° | 179.7° |
| C23 | N4 | C22 | N5 | 175.9° | 179.8° |
| N4 | C23 | C24 | H34 | 179.6° | 180.0° |
| C20 | C21 | C22 | N4 | 171.4° | 179.9° |
| C21 | C20 | C26 | C25 | 0.9° | 0.0° |
| C20 | C21 | C22 | N5 | 4.1° | 0.0° |
| C21 | C20 | C26 | H31 | 179.1° | 180.0° |
| C20 | C21 | C24 | H34 | 10.4° | 0.1° |
| C26 | C20 | C21 | C22 | 2.2° | 0.4° |
| C20 | C26 | C25 | H31 | 180.0° | 180.0° |
| C20 | C26 | C25 | N5 | 2.6° | 0.9° |
| C20 | C26 | C25 | H32 | 177.4° | 179.9° |
| C21 | C22 | N4 | N5 | 175.4° | 179.9° |
| C21 | C22 | N5 | C25 | 2.6° | 1.0° |
| C21 | C22 | N4 | H4 | 179.5° | 180.0° |
| C22 | C21 | C24 | H34 | 180.0° | 179.8° |
| N4 | C22 | N5 | C25 | 172.1° | 179.0° |
| C22 | N4 | C23 | H33 | 179.4° | 180.0° |
| C26 | C25 | N5 | C22 | 0.9° | 1.4° |
| C26 | C25 | N5 | H32 | 180.0° | 179.0° |
| N5 | C22 | N4 | H4 | 4.1° | 0.1° |
| C22 | N5 | C25 | H32 | 179.1° | 179.5° |
| N5 | C25 | C26 | H31 | 177.4° | 179.1° |
| H1 | N1 | C11 | H18 | 170.7° | 154.7° |
| H2 | C2 | C1 | H29 | 0.1° | 0.1° |
| H3 | C4 | C3 | H30 | 1.2° | 0.8° |
| H4 | N4 | C23 | H33 | 0.5° | 0.3° |
| H5 | C12 | C13 | H7 | 142.6° | 180.0° |
| H5 | C12 | C13 | H8 | 98.0° | 60.0° |
| H6 | C12 | C13 | H7 | 98.8° | 60.0° |
| H6 | C12 | C13 | H8 | 20.6° | 179.9° |
| H7 | C13 | C14 | H9 | 155.6° | 180.0° |
| H7 | C13 | C14 | H10 | 85.7° | 60.1° |
| H8 | C13 | C14 | H9 | 36.1° | 60.1° |
| H8 | C13 | C14 | H10 | 154.9° | 180.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 120.0° |
| H18 | C11 | C10 | H19 | 37.7° | 60.0° |
| H18 | C11 | C10 | H20 | 156.9° | 60.0° |
| H18 | C11 | C17 | H23 | 25.3° | 60.0° |
| H18 | C11 | C17 | H24 | 94.3° | 60.0° |
| H19 | C10 | C9 | H21 | 59.0° | 60.0° |
| H19 | C10 | C9 | H22 | 60.5° | 180.0° |
| H20 | C10 | C9 | H21 | 60.2° | 60.0° |
| H20 | C10 | C9 | H22 | 179.7° | 60.1° |
| H21 | C9 | C8 | H27 | 106.3° | 60.0° |
| H22 | C9 | C8 | H27 | 13.2° | 180.0° |
| H23 | C17 | C18 | H25 | 170.8° | 60.0° |
| H23 | C17 | C18 | H26 | 68.7° | 60.0° |
| H24 | C17 | C18 | H25 | 69.6° | 180.0° |
| H24 | C17 | C18 | H26 | 50.8° | 60.0° |
| H25 | C18 | C8 | H27 | 168.0° | 180.0° |
| H26 | C18 | C8 | H27 | 47.5° | 60.0° |
| H31 | C26 | C25 | H32 | 2.6° | 0.0° |
| H33 | C23 | C24 | H34 | 0.3° | 0.0° |
