M9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | N2 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| N2 | C16 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | N1 | sing | 1.46Å | 1.46Å | |
| F1 | C | sing | 1.40Å | 1.28Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C11 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C | F | sing | 1.40Å | 1.28Å | |
| C | F2 | sing | 1.40Å | 1.28Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.34Å | 1.35Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | sing | 1.47Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C2 | C3 | sing | 1.47Å | 1.47Å | |
| N3 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | trip | 1.17Å | 1.19Å | |
| C7 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C4 | C5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.69Å | Aromatic |
| C6 | C23 | sing | 1.51Å | 1.43Å | |
| C28 | C23 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C23 | C32 | sing | 1.53Å | 1.54Å | |
| C23 | N4 | sing | 1.47Å | 1.48Å | |
| C24 | N4 | sing | 1.49Å | 1.46Å | |
| C24 | C25 | sing | 1.55Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.48Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| N4 | C27 | sing | 1.48Å | 1.47Å | |
| C30 | C31 | sing | 1.53Å | 1.47Å | |
| C25 | C26 | sing | 1.55Å | 1.40Å | |
| C26 | C27 | sing | 1.54Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C32 | H7 | sing | 1.09Å | 1.10Å | |
| C32 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C18 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C17 | H39 | sing | 1.09Å | 1.10Å | |
| N2 | H40 | sing | 1.01Å | 1.00Å | |
| C16 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C15 | H44 | sing | 1.09Å | 1.10Å | |
| C15 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C14 | 113.4° | 109.3° |
| C18 | C17 | N2 | 110.0° | 109.5° |
| C17 | C18 | H36 | 108.5° | 109.5° |
| C17 | C18 | H37 | 108.5° | 109.5° |
| C18 | C17 | H38 | 109.3° | 109.5° |
| C18 | C17 | H39 | 109.3° | 109.5° |
| C18 | C14 | C15 | 109.7° | 109.2° |
| C18 | C14 | C13 | 111.9° | 109.5° |
| C18 | C14 | H35 | 107.4° | 109.6° |
| C14 | C18 | H36 | 108.5° | 109.5° |
| C14 | C18 | H37 | 108.5° | 109.5° |
| C17 | N2 | C16 | 110.1° | 111.2° |
| N2 | C17 | H38 | 109.4° | 109.4° |
| N2 | C17 | H39 | 109.4° | 109.4° |
| C17 | N2 | H40 | 109.3° | 111.0° |
| C15 | C14 | C13 | 112.7° | 109.5° |
| C14 | C15 | C16 | 116.8° | 109.2° |
| C15 | C14 | H35 | 107.4° | 109.6° |
| C14 | C15 | H44 | 107.6° | 109.5° |
| C14 | C15 | H45 | 107.6° | 109.5° |
| C14 | C13 | C12 | 116.9° | 109.5° |
| C14 | C13 | H33 | 107.6° | 109.4° |
| C14 | C13 | H34 | 107.6° | 109.4° |
| C13 | C14 | H35 | 107.5° | 109.5° |
| N2 | C16 | C15 | 111.0° | 109.5° |
| C16 | N2 | H40 | 109.3° | 111.0° |
| N2 | C16 | H42 | 109.1° | 109.4° |
| N2 | C16 | H43 | 109.1° | 109.5° |
| C15 | C16 | H42 | 109.1° | 109.5° |
| C15 | C16 | H43 | 109.1° | 109.5° |
| C16 | C15 | H44 | 107.6° | 109.5° |
| C16 | C15 | H45 | 107.6° | 109.5° |
| C13 | C12 | N1 | 111.9° | 109.5° |
| C13 | C12 | H31 | 108.9° | 109.5° |
| C13 | C12 | H32 | 108.9° | 109.5° |
| C12 | C13 | H33 | 107.6° | 109.5° |
| C12 | C13 | H34 | 107.6° | 109.5° |
| C12 | N1 | C11 | 125.1° | 125.0° |
| C12 | N1 | C19 | 126.7° | 125.0° |
| N1 | C12 | H31 | 108.8° | 109.5° |
| N1 | C12 | H32 | 108.9° | 109.5° |
| F1 | C | C1 | 112.8° | 109.5° |
| F1 | C | F | 105.7° | 109.4° |
| F1 | C | F2 | 106.9° | 109.4° |
| C11 | C10 | C9 | 118.6° | 120.2° |
| C10 | C11 | N1 | 130.7° | 133.3° |
| C10 | C11 | C21 | 121.6° | 119.6° |
| C11 | C10 | H27 | 120.7° | 119.9° |
| C10 | C9 | C8 | 121.2° | 120.7° |
| C9 | C10 | H27 | 120.7° | 119.9° |
| C10 | C9 | H28 | 119.4° | 119.6° |
| C11 | N1 | C19 | 108.1° | 109.9° |
| N1 | C11 | C21 | 107.7° | 107.1° |
| N1 | C19 | C20 | 110.3° | 109.9° |
| N1 | C19 | H30 | 124.8° | 125.1° |
| C | C1 | N | 111.7° | 109.4° |
| C1 | C | F | 112.3° | 109.5° |
| C1 | C | F2 | 112.2° | 109.5° |
| C | C1 | H1 | 108.9° | 109.5° |
| C | C1 | H2 | 108.9° | 109.5° |
| C1 | N | C2 | 114.1° | 111.0° |
| N | C1 | H1 | 108.9° | 109.4° |
| N | C1 | H2 | 108.9° | 109.5° |
| C1 | N | H3 | 108.3° | 111.0° |
| C11 | C21 | C20 | 106.8° | 106.0° |
| C11 | C21 | C22 | 118.9° | 120.0° |
| F | C | F2 | 106.5° | 109.5° |
| C9 | C8 | C22 | 120.0° | 120.0° |
| C9 | C8 | C7 | 119.5° | 120.0° |
| C8 | C9 | H28 | 119.4° | 119.7° |
| C19 | C20 | C21 | 107.1° | 107.0° |
| C19 | C20 | H29 | 126.4° | 126.5° |
| C20 | C19 | H30 | 124.8° | 125.0° |
| N | C2 | C3 | 113.0° | 109.5° |
| C2 | N | H3 | 108.3° | 111.0° |
| N | C2 | H5 | 108.6° | 109.5° |
| N | C2 | H6 | 108.6° | 109.5° |
| C20 | C21 | C22 | 134.3° | 134.0° |
| C21 | C20 | H29 | 126.5° | 126.5° |
| C21 | C22 | C8 | 119.6° | 119.4° |
| C21 | C22 | H26 | 120.2° | 120.3° |
| C22 | C8 | C7 | 120.4° | 120.0° |
| C8 | C22 | H26 | 120.2° | 120.3° |
| C8 | C7 | N3 | 123.7° | 125.3° |
| C8 | C7 | S | 121.9° | 125.3° |
| C2 | C3 | C4 | 175.3° | 180.0° |
| C3 | C2 | H5 | 108.6° | 109.5° |
| C3 | C2 | H6 | 108.6° | 109.5° |
| C7 | N3 | C5 | 110.4° | 117.1° |
| N3 | C7 | S | 114.3° | 109.4° |
| N3 | C5 | C4 | 118.3° | 122.3° |
| N3 | C5 | C6 | 115.8° | 115.3° |
| C3 | C4 | C5 | 178.6° | 179.9° |
| C7 | S | C6 | 90.0° | 90.0° |
| C4 | C5 | C6 | 126.0° | 122.4° |
| C5 | C6 | S | 109.5° | 108.2° |
| C5 | C6 | C23 | 133.1° | 125.9° |
| S | C6 | C23 | 117.1° | 125.9° |
| C6 | C23 | C28 | 109.6° | 109.5° |
| C6 | C23 | C32 | 109.6° | 109.5° |
| C6 | C23 | N4 | 107.0° | 109.5° |
| C23 | C28 | C29 | 115.7° | 109.4° |
| C28 | C23 | C32 | 110.8° | 109.5° |
| C28 | C23 | N4 | 111.1° | 109.5° |
| C23 | C28 | H15 | 107.9° | 109.5° |
| C23 | C28 | H16 | 107.9° | 109.5° |
| C28 | C29 | C30 | 111.0° | 109.5° |
| C28 | C29 | H13 | 109.1° | 109.5° |
| C28 | C29 | H14 | 109.1° | 109.4° |
| C29 | C28 | H15 | 107.9° | 109.5° |
| C29 | C28 | H16 | 107.9° | 109.5° |
| C32 | C23 | N4 | 108.7° | 109.5° |
| C23 | C32 | C31 | 115.0° | 109.5° |
| C23 | C32 | H7 | 108.0° | 109.5° |
| C23 | C32 | H8 | 108.1° | 109.5° |
| C23 | N4 | C24 | 119.2° | 111.0° |
| C23 | N4 | C27 | 117.9° | 111.0° |
| N4 | C24 | C25 | 103.3° | 103.2° |
| C24 | N4 | C27 | 105.5° | 105.8° |
| N4 | C24 | H24 | 111.0° | 110.6° |
| N4 | C24 | H25 | 111.0° | 110.6° |
| C24 | C25 | C26 | 102.8° | 102.9° |
| C24 | C25 | H22 | 111.1° | 110.7° |
| C24 | C25 | H23 | 111.1° | 110.8° |
| C25 | C24 | H24 | 111.0° | 110.7° |
| C25 | C24 | H25 | 111.0° | 110.7° |
| C29 | C30 | C31 | 109.5° | 109.5° |
| C29 | C30 | H11 | 109.5° | 109.5° |
| C29 | C30 | H12 | 109.4° | 109.5° |
| C30 | C29 | H13 | 109.1° | 109.5° |
| C30 | C29 | H14 | 109.1° | 109.5° |
| C32 | C31 | C30 | 110.5° | 109.5° |
| C31 | C32 | H7 | 108.1° | 109.5° |
| C31 | C32 | H8 | 108.1° | 109.4° |
| C32 | C31 | H9 | 109.2° | 109.4° |
| C32 | C31 | H10 | 109.2° | 109.5° |
| N4 | C27 | C26 | 105.1° | 107.1° |
| N4 | C27 | H18 | 110.6° | 109.9° |
| N4 | C27 | H19 | 110.6° | 109.9° |
| C30 | C31 | H9 | 109.2° | 109.5° |
| C30 | C31 | H10 | 109.2° | 109.5° |
| C31 | C30 | H11 | 109.5° | 109.5° |
| C31 | C30 | H12 | 109.5° | 109.4° |
| C25 | C26 | C27 | 105.3° | 105.2° |
| C25 | C26 | H20 | 110.5° | 110.3° |
| C25 | C26 | H21 | 110.5° | 110.4° |
| C26 | C25 | H22 | 111.1° | 110.7° |
| C26 | C25 | H23 | 111.1° | 110.7° |
| C26 | C27 | H18 | 110.6° | 109.9° |
| C26 | C27 | H19 | 110.5° | 110.1° |
| C27 | C26 | H20 | 110.5° | 110.3° |
| C27 | C26 | H21 | 110.5° | 110.3° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C32 | H8 | 109.5° | 109.4° |
| H9 | C31 | H10 | 109.5° | 109.4° |
| H11 | C30 | H12 | 109.4° | 109.4° |
| H13 | C29 | H14 | 109.4° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.5° |
| H18 | C27 | H19 | 109.4° | 109.9° |
| H20 | C26 | H21 | 109.4° | 110.3° |
| H22 | C25 | H23 | 109.5° | 110.7° |
| H24 | C24 | H25 | 109.5° | 110.7° |
| H31 | C12 | H32 | 109.5° | 109.4° |
| H33 | C13 | H34 | 109.5° | 109.5° |
| H36 | C18 | H37 | 109.5° | 109.6° |
| H38 | C17 | H39 | 109.4° | 109.5° |
| H42 | C16 | H43 | 109.4° | 109.4° |
| H44 | C15 | H45 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C14 | H36 | 120.6° | 119.9° |
| C17 | C18 | C14 | H37 | 120.6° | 119.9° |
| C18 | C17 | N2 | H38 | 120.1° | 120.0° |
| C18 | C17 | N2 | H39 | 120.1° | 120.0° |
| C17 | C18 | C14 | C15 | 44.2° | 57.7° |
| C17 | C18 | C14 | C13 | 81.6° | 177.6° |
| C18 | C17 | N2 | C16 | 65.1° | 61.7° |
| C17 | C18 | C14 | H35 | 160.7° | 62.3° |
| C17 | C18 | H36 | H37 | 118.2° | 120.1° |
| C18 | C17 | H38 | H39 | 119.7° | 120.0° |
| C18 | C17 | N2 | H40 | 174.8° | 62.3° |
| C14 | C18 | C17 | N2 | 58.1° | 59.2° |
| C18 | C14 | C15 | C13 | 125.4° | 119.9° |
| C18 | C14 | C15 | H35 | 116.5° | 120.0° |
| C18 | C14 | C13 | H35 | 117.7° | 120.1° |
| C18 | C14 | C15 | C16 | 39.9° | 57.7° |
| C18 | C14 | C13 | C12 | 173.0° | 65.3° |
| C18 | C14 | C13 | H33 | 51.9° | 174.7° |
| C18 | C14 | C13 | H34 | 66.0° | 54.7° |
| C14 | C18 | H36 | H37 | 118.2° | 120.1° |
| C14 | C18 | C17 | H38 | 62.0° | 179.1° |
| C14 | C18 | C17 | H39 | 178.2° | 60.8° |
| C18 | C14 | C15 | H44 | 81.2° | 177.6° |
| C18 | C14 | C15 | H45 | 161.0° | 62.2° |
| C17 | N2 | C16 | H40 | 120.1° | 124.1° |
| C17 | N2 | C16 | C15 | 59.3° | 61.8° |
| N2 | C17 | C18 | H36 | 62.5° | 60.8° |
| N2 | C17 | C18 | H37 | 178.7° | 179.1° |
| N2 | C17 | H38 | H39 | 119.8° | 119.9° |
| C17 | N2 | C16 | H42 | 60.9° | 178.3° |
| C17 | N2 | C16 | H43 | 179.6° | 58.3° |
| C15 | C14 | C13 | H35 | 118.1° | 120.2° |
| C14 | C15 | C16 | N2 | 48.1° | 59.2° |
| C14 | C15 | C16 | H44 | 121.1° | 120.0° |
| C14 | C15 | C16 | H45 | 121.1° | 120.0° |
| C15 | C14 | C13 | C12 | 62.9° | 175.0° |
| C15 | C14 | C13 | H33 | 176.1° | 55.0° |
| C15 | C14 | C13 | H34 | 58.2° | 65.0° |
| C15 | C14 | C18 | H36 | 76.4° | 62.2° |
| C15 | C14 | C18 | H37 | 164.8° | 177.6° |
| C14 | C15 | C16 | H42 | 72.1° | 179.2° |
| C14 | C15 | C16 | H43 | 168.4° | 60.9° |
| C14 | C15 | H44 | H45 | 116.6° | 120.2° |
| C13 | C14 | C15 | C16 | 85.5° | 177.5° |
| C14 | C13 | C12 | H33 | 121.1° | 120.0° |
| C14 | C13 | C12 | H34 | 121.1° | 120.0° |
| C14 | C13 | C12 | N1 | 94.6° | 180.0° |
| C14 | C13 | C12 | H31 | 25.7° | 60.0° |
| C14 | C13 | C12 | H32 | 145.0° | 60.0° |
| C14 | C13 | H33 | H34 | 116.6° | 119.9° |
| C13 | C14 | C18 | H36 | 157.8° | 57.7° |
| C13 | C14 | C18 | H37 | 38.9° | 62.5° |
| C13 | C14 | C15 | H44 | 153.4° | 62.5° |
| C13 | C14 | C15 | H45 | 35.6° | 57.6° |
| N2 | C16 | C15 | H42 | 120.3° | 120.0° |
| N2 | C16 | C15 | H43 | 120.2° | 120.1° |
| C16 | N2 | C17 | H38 | 55.0° | 178.2° |
| C16 | N2 | C17 | H39 | 174.9° | 58.3° |
| N2 | C16 | H42 | H43 | 119.3° | 120.0° |
| N2 | C16 | C15 | H44 | 72.9° | 179.2° |
| N2 | C16 | C15 | H45 | 169.2° | 60.8° |
| C16 | C15 | C14 | H35 | 156.3° | 62.3° |
| C15 | C16 | N2 | H40 | 179.4° | 62.3° |
| C15 | C16 | H42 | H43 | 119.3° | 120.0° |
| C16 | C15 | H44 | H45 | 116.7° | 120.1° |
| C13 | C12 | N1 | H31 | 120.4° | 120.0° |
| C13 | C12 | N1 | H32 | 120.4° | 120.0° |
| C13 | C12 | N1 | C11 | 128.2° | 85.1° |
| C13 | C12 | N1 | C19 | 48.9° | 95.0° |
| C13 | C12 | H31 | H32 | 118.9° | 120.0° |
| C12 | C13 | H33 | H34 | 116.6° | 120.1° |
| C12 | C13 | C14 | H35 | 55.3° | 54.8° |
| C12 | N1 | C11 | C10 | 2.8° | 0.0° |
| C12 | N1 | C11 | C19 | 177.5° | 179.9° |
| C12 | N1 | C11 | C21 | 176.6° | 180.0° |
| C12 | N1 | C19 | C20 | 176.8° | 180.0° |
| C12 | N1 | C19 | H30 | 3.2° | 0.1° |
| N1 | C12 | H31 | H32 | 118.9° | 120.0° |
| N1 | C12 | C13 | H33 | 144.3° | 60.0° |
| N1 | C12 | C13 | H34 | 26.5° | 60.0° |
| F1 | C | C1 | F | 119.3° | 120.0° |
| F1 | C | C1 | F2 | 120.8° | 120.0° |
| F1 | C | C1 | N | 173.1° | 60.0° |
| F1 | C | F | F2 | 113.5° | 120.0° |
| F1 | C | C1 | H1 | 52.8° | 60.0° |
| F1 | C | C1 | H2 | 66.5° | 180.0° |
| C11 | C10 | C9 | H27 | 180.0° | 179.8° |
| C10 | C11 | N1 | C21 | 179.3° | 179.9° |
| C10 | C11 | N1 | C19 | 179.7° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.5° |
| C10 | C11 | C21 | C20 | 179.7° | 180.0° |
| C10 | C11 | C21 | C22 | 0.8° | 0.1° |
| C11 | C10 | C9 | H28 | 180.0° | 180.0° |
| C9 | C10 | C11 | N1 | 178.7° | 179.8° |
| C9 | C10 | C11 | C21 | 0.6° | 0.3° |
| C10 | C9 | C8 | H28 | 180.0° | 179.5° |
| C10 | C9 | C8 | C22 | 0.2° | 0.5° |
| C10 | C9 | C8 | C7 | 179.8° | 179.7° |
| C11 | N1 | C19 | C20 | 0.7° | 0.1° |
| N1 | C11 | C21 | C20 | 0.8° | 0.1° |
| N1 | C11 | C21 | C22 | 178.6° | 180.0° |
| N1 | C11 | C10 | H27 | 1.3° | 0.0° |
| C11 | N1 | C19 | H30 | 179.3° | 180.0° |
| C11 | N1 | C12 | H31 | 7.8° | 155.0° |
| C11 | N1 | C12 | H32 | 111.4° | 35.0° |
| C19 | N1 | C11 | C21 | 1.0° | 0.1° |
| N1 | C19 | C20 | H30 | 180.0° | 179.9° |
| N1 | C19 | C20 | C21 | 0.2° | 0.0° |
| N1 | C19 | C20 | H29 | 179.8° | 180.0° |
| C19 | N1 | C12 | H31 | 169.3° | 25.0° |
| C19 | N1 | C12 | H32 | 71.5° | 144.9° |
| C | C1 | N | H1 | 120.3° | 120.0° |
| C | C1 | N | H2 | 120.3° | 120.0° |
| C1 | C | F | F2 | 123.2° | 120.0° |
| C | C1 | N | C2 | 72.3° | 180.0° |
| C | C1 | H1 | H2 | 118.9° | 120.0° |
| C | C1 | N | H3 | 48.3° | 56.1° |
| N | C1 | C | F | 67.6° | 60.0° |
| N | C1 | C | F2 | 52.4° | 180.0° |
| C1 | N | C2 | H3 | 120.7° | 123.9° |
| C1 | N | C2 | C3 | 145.7° | 180.0° |
| N | C1 | H1 | H2 | 119.0° | 120.0° |
| C1 | N | C2 | H5 | 25.1° | 60.0° |
| C1 | N | C2 | H6 | 93.8° | 60.0° |
| C11 | C21 | C20 | C19 | 0.4° | 0.0° |
| C11 | C21 | C20 | C22 | 179.4° | 179.9° |
| C11 | C21 | C22 | C8 | 0.5° | 0.1° |
| C11 | C21 | C22 | H26 | 179.5° | 180.0° |
| C21 | C11 | C10 | H27 | 179.4° | 179.9° |
| C11 | C21 | C20 | H29 | 179.6° | 180.0° |
| F | C | C1 | H1 | 172.1° | 179.9° |
| F | C | C1 | H2 | 52.8° | 60.0° |
| F2 | C | C1 | H1 | 68.0° | 60.0° |
| F2 | C | C1 | H2 | 172.7° | 60.1° |
| C9 | C8 | C22 | C21 | 0.0° | 0.3° |
| C9 | C8 | C22 | C7 | 180.0° | 179.8° |
| C9 | C8 | C7 | N3 | 9.1° | 179.8° |
| C9 | C8 | C7 | S | 171.8° | 0.2° |
| C9 | C8 | C22 | H26 | 180.0° | 179.8° |
| C8 | C9 | C10 | H27 | 179.9° | 179.7° |
| C19 | C20 | C21 | H29 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.0° | 179.9° |
| N | C2 | C3 | H5 | 120.5° | 120.0° |
| N | C2 | C3 | H6 | 120.5° | 120.0° |
| N | C2 | C3 | C4 | 6.2° | 30.1° |
| C2 | N | C1 | H1 | 167.3° | 60.0° |
| C2 | N | C1 | H2 | 48.0° | 60.0° |
| N | C2 | H5 | H6 | 118.4° | 120.0° |
| C20 | C21 | C22 | C8 | 179.8° | 179.9° |
| C20 | C21 | C22 | H26 | 0.2° | 0.1° |
| C21 | C20 | C19 | H30 | 179.8° | 179.9° |
| C21 | C22 | C8 | H26 | 180.0° | 179.9° |
| C21 | C22 | C8 | C7 | 180.0° | 179.9° |
| C22 | C21 | C20 | H29 | 1.0° | 0.1° |
| C22 | C8 | C7 | N3 | 170.9° | 0.0° |
| C22 | C8 | C7 | S | 8.2° | 180.0° |
| C22 | C8 | C9 | H28 | 179.8° | 180.0° |
| C8 | C7 | N3 | S | 179.2° | 179.9° |
| C8 | C7 | N3 | C5 | 178.9° | 180.0° |
| C8 | C7 | S | C6 | 178.4° | 179.8° |
| C7 | C8 | C22 | H26 | 0.0° | 0.0° |
| C7 | C8 | C9 | H28 | 0.2° | 0.2° |
| C2 | C3 | C4 | C5 | 9.5° | 177.2° |
| C3 | C2 | N | H3 | 93.7° | 56.1° |
| C3 | C2 | H5 | H6 | 118.4° | 120.0° |
| C7 | N3 | C5 | C4 | 178.5° | 180.0° |
| C7 | N3 | C5 | C6 | 0.6° | 0.3° |
| N3 | C7 | S | C6 | 0.8° | 0.2° |
| N3 | C5 | C4 | C3 | 33.6° | 146.9° |
| C5 | N3 | C7 | S | 0.2° | 0.0° |
| N3 | C5 | C4 | C6 | 179.1° | 179.7° |
| N3 | C5 | C6 | S | 1.2° | 0.4° |
| N3 | C5 | C6 | C23 | 171.5° | 179.7° |
| C3 | C4 | C5 | C6 | 145.5° | 32.8° |
| C4 | C3 | C2 | H5 | 126.7° | 150.1° |
| C4 | C3 | C2 | H6 | 114.3° | 90.0° |
| C7 | S | C6 | C5 | 1.1° | 0.3° |
| C7 | S | C6 | C23 | 172.9° | 179.8° |
| C4 | C5 | C6 | S | 177.9° | 179.9° |
| C4 | C5 | C6 | C23 | 9.5° | 0.0° |
| C5 | C6 | S | C23 | 174.0° | 179.8° |
| C5 | C6 | C23 | C28 | 36.9° | 58.2° |
| C5 | C6 | C23 | C32 | 158.7° | 61.8° |
| C5 | C6 | C23 | N4 | 83.6° | 178.2° |
| S | C6 | C23 | C28 | 135.4° | 121.6° |
| S | C6 | C23 | C32 | 13.6° | 118.4° |
| S | C6 | C23 | N4 | 104.1° | 1.6° |
| C6 | C23 | C28 | C32 | 121.1° | 120.0° |
| C6 | C23 | C28 | N4 | 118.0° | 120.0° |
| C6 | C23 | C28 | C29 | 160.2° | 180.0° |
| C6 | C23 | C32 | N4 | 116.6° | 120.0° |
| C6 | C23 | N4 | C24 | 43.8° | 59.5° |
| C6 | C23 | C32 | C31 | 161.8° | 180.0° |
| C6 | C23 | N4 | C27 | 86.1° | 57.9° |
| C6 | C23 | C32 | H7 | 77.4° | 60.0° |
| C6 | C23 | C32 | H8 | 41.0° | 60.0° |
| C6 | C23 | C28 | H15 | 39.3° | 60.0° |
| C6 | C23 | C28 | H16 | 78.9° | 60.0° |
| C23 | C28 | C29 | H15 | 120.9° | 120.0° |
| C23 | C28 | C29 | H16 | 120.9° | 120.0° |
| C28 | C23 | C32 | N4 | 122.3° | 120.0° |
| C28 | C23 | N4 | C24 | 75.7° | 60.5° |
| C23 | C28 | C29 | C30 | 50.4° | 60.0° |
| C28 | C23 | C32 | C31 | 40.7° | 60.0° |
| C28 | C23 | N4 | C27 | 154.4° | 177.9° |
| C28 | C23 | C32 | H7 | 161.6° | 180.0° |
| C28 | C23 | C32 | H8 | 80.1° | 60.0° |
| C23 | C28 | C29 | H13 | 170.6° | 60.0° |
| C23 | C28 | C29 | H14 | 69.9° | 180.0° |
| C23 | C28 | H15 | H16 | 117.2° | 120.0° |
| C29 | C28 | C23 | C32 | 39.1° | 60.0° |
| C29 | C28 | C23 | N4 | 81.9° | 60.0° |
| C28 | C29 | C30 | H13 | 120.3° | 120.0° |
| C28 | C29 | C30 | H14 | 120.2° | 120.0° |
| C28 | C29 | C30 | C31 | 61.6° | 60.0° |
| C28 | C29 | C30 | H11 | 58.5° | 179.9° |
| C28 | C29 | C30 | H12 | 178.4° | 60.0° |
| C28 | C29 | H13 | H14 | 119.3° | 120.0° |
| C29 | C28 | H15 | H16 | 117.2° | 120.0° |
| C32 | C23 | N4 | C24 | 162.1° | 179.5° |
| C23 | C32 | C31 | H7 | 120.8° | 120.0° |
| C23 | C32 | C31 | H8 | 120.8° | 120.0° |
| C32 | C23 | N4 | C27 | 32.2° | 62.1° |
| C23 | C32 | C31 | C30 | 54.0° | 60.0° |
| C23 | C32 | H7 | H8 | 117.5° | 120.0° |
| C23 | C32 | C31 | H9 | 66.1° | 60.1° |
| C23 | C32 | C31 | H10 | 174.2° | 180.0° |
| C32 | C23 | C28 | H15 | 81.8° | 60.0° |
| C32 | C23 | C28 | H16 | 160.0° | 180.0° |
| C23 | N4 | C24 | C27 | 135.3° | 120.5° |
| C23 | N4 | C24 | C25 | 164.3° | 159.7° |
| N4 | C23 | C32 | C31 | 81.6° | 60.0° |
| C23 | N4 | C27 | C26 | 142.1° | 145.9° |
| N4 | C23 | C32 | H7 | 39.2° | 60.0° |
| N4 | C23 | C32 | H8 | 157.6° | 180.0° |
| N4 | C23 | C28 | H15 | 157.2° | 180.0° |
| N4 | C23 | C28 | H16 | 39.1° | 60.0° |
| C23 | N4 | C27 | H18 | 22.8° | 26.5° |
| C23 | N4 | C27 | H19 | 98.6° | 94.6° |
| C23 | N4 | C24 | H24 | 76.7° | 81.8° |
| C23 | N4 | C24 | H25 | 45.3° | 41.3° |
| N4 | C24 | C25 | H24 | 119.0° | 118.4° |
| N4 | C24 | C25 | H25 | 119.0° | 118.4° |
| N4 | C24 | C25 | C26 | 42.6° | 37.4° |
| C24 | N4 | C27 | C26 | 6.1° | 25.3° |
| C24 | N4 | C27 | H18 | 113.2° | 94.0° |
| C24 | N4 | C27 | H19 | 125.4° | 144.9° |
| N4 | C24 | C25 | H22 | 76.4° | 155.8° |
| N4 | C24 | C25 | H23 | 161.5° | 81.0° |
| N4 | C24 | H24 | H25 | 122.9° | 123.0° |
| C25 | C24 | N4 | C27 | 29.0° | 39.2° |
| C24 | C25 | C26 | H22 | 118.9° | 118.4° |
| C24 | C25 | C26 | H23 | 118.9° | 118.5° |
| C24 | C25 | C26 | C27 | 38.5° | 21.9° |
| C24 | C25 | C26 | H20 | 157.9° | 97.0° |
| C24 | C25 | C26 | H21 | 80.8° | 140.9° |
| C24 | C25 | H22 | H23 | 123.1° | 123.3° |
| C25 | C24 | H24 | H25 | 122.8° | 123.1° |
| C29 | C30 | C31 | C32 | 63.4° | 60.0° |
| C29 | C30 | C31 | H11 | 120.0° | 120.0° |
| C29 | C30 | C31 | H12 | 120.0° | 120.0° |
| C29 | C30 | C31 | H9 | 56.8° | 60.0° |
| C29 | C30 | C31 | H10 | 176.5° | 180.0° |
| C29 | C30 | H11 | H12 | 119.9° | 120.0° |
| C30 | C29 | H13 | H14 | 119.3° | 120.0° |
| C30 | C29 | C28 | H15 | 70.6° | 60.0° |
| C30 | C29 | C28 | H16 | 171.3° | 180.0° |
| C32 | C31 | C30 | H9 | 120.1° | 120.0° |
| C32 | C31 | C30 | H10 | 120.1° | 120.0° |
| C31 | C32 | H7 | H8 | 117.5° | 120.0° |
| C32 | C31 | H9 | H10 | 119.5° | 120.0° |
| C32 | C31 | C30 | H11 | 56.7° | 180.0° |
| C32 | C31 | C30 | H12 | 176.6° | 60.0° |
| N4 | C27 | C26 | C25 | 20.8° | 1.2° |
| N4 | C27 | C26 | H18 | 119.3° | 119.4° |
| N4 | C27 | C26 | H19 | 119.3° | 119.4° |
| N4 | C27 | H18 | H19 | 122.1° | 121.1° |
| N4 | C27 | C26 | H20 | 140.1° | 120.2° |
| N4 | C27 | C26 | H21 | 98.6° | 117.8° |
| C27 | N4 | C24 | H24 | 148.0° | 157.7° |
| C27 | N4 | C24 | H25 | 90.0° | 79.2° |
| C30 | C31 | C32 | H7 | 174.8° | 180.0° |
| C30 | C31 | C32 | H8 | 66.8° | 60.0° |
| C30 | C31 | H9 | H10 | 119.5° | 120.0° |
| C31 | C30 | H11 | H12 | 120.0° | 120.0° |
| C31 | C30 | C29 | H13 | 178.2° | 60.0° |
| C31 | C30 | C29 | H14 | 58.7° | 179.9° |
| C25 | C26 | C27 | H20 | 119.4° | 118.9° |
| C25 | C26 | C27 | H21 | 119.3° | 119.0° |
| C25 | C26 | C27 | H18 | 140.1° | 118.1° |
| C25 | C26 | C27 | H19 | 98.5° | 120.7° |
| C25 | C26 | H20 | H21 | 121.9° | 122.2° |
| C26 | C25 | H22 | H23 | 123.1° | 123.2° |
| C26 | C25 | C24 | H24 | 161.6° | 155.8° |
| C26 | C25 | C24 | H25 | 76.4° | 81.0° |
| C26 | C27 | H18 | H19 | 122.0° | 121.3° |
| C27 | C26 | H20 | H21 | 121.9° | 122.0° |
| C27 | C26 | C25 | H22 | 80.4° | 140.3° |
| C27 | C26 | C25 | H23 | 157.5° | 96.5° |
| H1 | C1 | N | H3 | 72.0° | 176.1° |
| H2 | C1 | N | H3 | 168.7° | 63.9° |
| H3 | N | C2 | H5 | 145.8° | 176.0° |
| H3 | N | C2 | H6 | 26.9° | 63.9° |
| H7 | C32 | C31 | H9 | 54.7° | 60.0° |
| H7 | C32 | C31 | H10 | 65.0° | 60.0° |
| H8 | C32 | C31 | H9 | 173.1° | 179.9° |
| H8 | C32 | C31 | H10 | 53.4° | 60.0° |
| H9 | C31 | C30 | H11 | 176.8° | 60.0° |
| H9 | C31 | C30 | H12 | 63.2° | 180.0° |
| H10 | C31 | C30 | H11 | 63.5° | 59.9° |
| H10 | C31 | C30 | H12 | 56.5° | 60.0° |
| H11 | C30 | C29 | H13 | 61.8° | 60.1° |
| H11 | C30 | C29 | H14 | 178.7° | 60.0° |
| H12 | C30 | C29 | H13 | 58.2° | 180.0° |
| H12 | C30 | C29 | H14 | 61.3° | 60.0° |
| H13 | C29 | C28 | H15 | 49.7° | 180.0° |
| H13 | C29 | C28 | H16 | 68.5° | 60.0° |
| H14 | C29 | C28 | H15 | 169.2° | 60.0° |
| H14 | C29 | C28 | H16 | 51.0° | 60.0° |
| H18 | C27 | C26 | H20 | 100.5° | 0.8° |
| H18 | C27 | C26 | H21 | 20.8° | 122.8° |
| H19 | C27 | C26 | H20 | 20.8° | 120.4° |
| H19 | C27 | C26 | H21 | 142.1° | 1.6° |
| H20 | C26 | C25 | H22 | 39.0° | 21.4° |
| H20 | C26 | C25 | H23 | 83.2° | 144.6° |
| H21 | C26 | C25 | H22 | 160.3° | 100.7° |
| H21 | C26 | C25 | H23 | 38.1° | 22.4° |
| H22 | C25 | C24 | H24 | 42.7° | 85.8° |
| H22 | C25 | C24 | H25 | 164.6° | 37.4° |
| H23 | C25 | C24 | H24 | 79.5° | 37.4° |
| H23 | C25 | C24 | H25 | 42.5° | 160.6° |
| H27 | C10 | C9 | H28 | 0.0° | 0.2° |
| H29 | C20 | C19 | H30 | 0.2° | 0.1° |
| H31 | C12 | C13 | H33 | 95.3° | 180.0° |
| H31 | C12 | C13 | H34 | 146.8° | 60.0° |
| H32 | C12 | C13 | H33 | 24.0° | 60.0° |
| H32 | C12 | C13 | H34 | 93.9° | 179.9° |
| H33 | C13 | C14 | H35 | 65.8° | 65.2° |
| H34 | C13 | C14 | H35 | 176.3° | 174.9° |
| H35 | C14 | C18 | H36 | 40.1° | 177.8° |
| H35 | C14 | C18 | H37 | 78.8° | 57.6° |
| H35 | C14 | C15 | H44 | 35.3° | 57.6° |
| H35 | C14 | C15 | H45 | 82.6° | 177.7° |
| H36 | C18 | C17 | H38 | 177.4° | 59.2° |
| H36 | C18 | C17 | H39 | 57.6° | 179.3° |
| H37 | C18 | C17 | H38 | 58.6° | 60.9° |
| H37 | C18 | C17 | H39 | 61.2° | 59.2° |
| H38 | C17 | N2 | H40 | 65.1° | 57.7° |
| H39 | C17 | N2 | H40 | 54.8° | 177.7° |
| H40 | N2 | C16 | H42 | 59.1° | 57.7° |
| H40 | N2 | C16 | H43 | 60.3° | 177.6° |
| H42 | C16 | C15 | H44 | 166.8° | 60.9° |
| H42 | C16 | C15 | H45 | 49.0° | 59.2° |
| H43 | C16 | C15 | H44 | 47.3° | 59.1° |
| H43 | C16 | C15 | H45 | 70.6° | 179.2° |
