A1EN0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C31 | sing | 1.40Å | 1.35Å | |
| C31 | F1 | sing | 1.40Å | 1.36Å | |
| C31 | F2 | sing | 1.40Å | 1.35Å | |
| C31 | C30 | sing | 1.51Å | 1.55Å | |
| O5 | C30 | doub | 1.21Å | 1.18Å | |
| C30 | N5 | sing | 1.35Å | 1.45Å | |
| N5 | C18 | sing | 1.46Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C14 | C12 | sing | 1.54Å | 1.68Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.55Å | 1.59Å | |
| C11 | N4 | sing | 1.47Å | 1.50Å | |
| C19 | C24 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.56Å | 1.21Å | |
| C15 | C16 | sing | 1.54Å | 1.34Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| N4 | C17 | sing | 1.35Å | 1.50Å | |
| N4 | C10 | sing | 1.47Å | 1.27Å | |
| C17 | O4 | doub | 1.21Å | 1.19Å | |
| C13 | C10 | sing | 1.54Å | 1.64Å | |
| C13 | C16 | sing | 1.54Å | 1.71Å | |
| C10 | C9 | sing | 1.51Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C9 | O3 | doub | 1.21Å | 1.19Å | |
| C9 | N3 | sing | 1.35Å | 1.46Å | |
| N3 | C6 | sing | 1.47Å | 1.44Å | |
| C1 | C2 | sing | 1.55Å | 1.28Å | |
| C1 | C4 | sing | 1.51Å | 1.61Å | |
| C1 | C5 | sing | 1.53Å | 1.62Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| O6 | C7 | doub | 1.21Å | 1.20Å | |
| C2 | C3 | sing | 1.55Å | 1.71Å | |
| C3 | N1 | sing | 1.47Å | 1.32Å | |
| C4 | O1 | doub | 1.21Å | 1.18Å | |
| C4 | N1 | sing | 1.34Å | 1.59Å | |
| C7 | C8 | sing | 1.49Å | 1.52Å | |
| C8 | N2 | sing | 1.35Å | 1.47Å | |
| C8 | O2 | doub | 1.21Å | 1.20Å | |
| N2 | C25 | sing | 1.46Å | 1.34Å | |
| C27 | C28 | sing | 1.55Å | 1.66Å | |
| C27 | C26 | sing | 1.54Å | 1.35Å | |
| C28 | C29 | sing | 1.55Å | 1.37Å | |
| C29 | C25 | sing | 1.54Å | 1.57Å | |
| C25 | C26 | sing | 1.54Å | 1.58Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C31 | F1 | 108.8° | 109.5° |
| F3 | C31 | F2 | 103.7° | 109.5° |
| F3 | C31 | C30 | 103.0° | 109.5° |
| F1 | C31 | F2 | 109.9° | 109.5° |
| F1 | C31 | C30 | 113.6° | 109.5° |
| F2 | C31 | C30 | 116.9° | 109.5° |
| C31 | C30 | O5 | 115.3° | 120.0° |
| C31 | C30 | N5 | 136.3° | 120.0° |
| O5 | C30 | N5 | 108.4° | 120.0° |
| C30 | N5 | C18 | 148.5° | 120.0° |
| C30 | N5 | H35 | 105.8° | 119.9° |
| N5 | C18 | C19 | 122.4° | 109.5° |
| N5 | C18 | C17 | 109.7° | 109.5° |
| N5 | C18 | H29 | 102.9° | 109.5° |
| C18 | N5 | H35 | 105.8° | 120.0° |
| C21 | C20 | C19 | 112.0° | 109.5° |
| C20 | C21 | C22 | 115.1° | 109.5° |
| C20 | C21 | H8 | 108.0° | 109.5° |
| C20 | C21 | H9 | 108.1° | 109.4° |
| C21 | C20 | H31 | 108.8° | 109.5° |
| C21 | C20 | H32 | 108.8° | 109.5° |
| C20 | C19 | C18 | 111.5° | 109.5° |
| C20 | C19 | C24 | 109.3° | 109.5° |
| C20 | C19 | H30 | 110.1° | 109.5° |
| C19 | C20 | H31 | 108.9° | 109.4° |
| C19 | C20 | H32 | 108.9° | 109.5° |
| C21 | C22 | C23 | 113.8° | 109.5° |
| C22 | C21 | H8 | 108.1° | 109.5° |
| C22 | C21 | H9 | 108.0° | 109.5° |
| C21 | C22 | H10 | 108.4° | 109.5° |
| C21 | C22 | H11 | 108.4° | 109.5° |
| C12 | C14 | C15 | 104.9° | 104.9° |
| C14 | C12 | C11 | 113.0° | 108.5° |
| C14 | C12 | C13 | 103.2° | 103.1° |
| C14 | C12 | H21 | 109.5° | 114.4° |
| C12 | C14 | H23 | 110.6° | 110.3° |
| C12 | C14 | H24 | 110.6° | 110.4° |
| C14 | C15 | C16 | 106.9° | 106.7° |
| C15 | C14 | H23 | 110.6° | 110.3° |
| C15 | C14 | H24 | 110.6° | 110.4° |
| C14 | C15 | H25 | 110.1° | 110.1° |
| C14 | C15 | H26 | 110.1° | 110.0° |
| C19 | C18 | C17 | 114.5° | 109.4° |
| C18 | C19 | C24 | 105.8° | 109.5° |
| C19 | C18 | H29 | 102.0° | 109.4° |
| C18 | C19 | H30 | 109.8° | 109.5° |
| C18 | C17 | N4 | 118.0° | 120.0° |
| C18 | C17 | O4 | 123.4° | 120.0° |
| C17 | C18 | H29 | 102.2° | 109.5° |
| C12 | C11 | N4 | 102.9° | 105.4° |
| C11 | C12 | C13 | 102.6° | 102.0° |
| C12 | C11 | H19 | 111.1° | 110.3° |
| C12 | C11 | H20 | 111.1° | 110.3° |
| C11 | C12 | H21 | 110.7° | 113.7° |
| C11 | N4 | C17 | 129.5° | 125.7° |
| C11 | N4 | C10 | 106.6° | 108.7° |
| N4 | C11 | H19 | 111.1° | 110.2° |
| N4 | C11 | H20 | 111.1° | 110.2° |
| C19 | C24 | C23 | 111.6° | 109.5° |
| C24 | C19 | H30 | 110.2° | 109.4° |
| C19 | C24 | H33 | 108.9° | 109.4° |
| C19 | C24 | H34 | 108.9° | 109.5° |
| C12 | C13 | C10 | 104.6° | 103.3° |
| C12 | C13 | C16 | 107.9° | 104.6° |
| C13 | C12 | H21 | 117.7° | 114.0° |
| C12 | C13 | H22 | 118.4° | 112.9° |
| C15 | C16 | C13 | 102.6° | 107.2° |
| C16 | C15 | H25 | 110.1° | 110.0° |
| C16 | C15 | H26 | 110.1° | 110.0° |
| C15 | C16 | H27 | 111.1° | 109.9° |
| C15 | C16 | H28 | 111.2° | 109.9° |
| C22 | C23 | C24 | 110.4° | 109.5° |
| C23 | C22 | H10 | 108.4° | 109.5° |
| C23 | C22 | H11 | 108.4° | 109.5° |
| C22 | C23 | H12 | 109.2° | 109.5° |
| C22 | C23 | H13 | 109.2° | 109.5° |
| C17 | N4 | C10 | 123.9° | 125.6° |
| N4 | C17 | O4 | 118.5° | 120.1° |
| N4 | C10 | C13 | 107.4° | 107.8° |
| N4 | C10 | C9 | 106.4° | 109.8° |
| N4 | C10 | H18 | 116.0° | 109.8° |
| C10 | C13 | C16 | 104.7° | 109.5° |
| C13 | C10 | C9 | 105.7° | 109.8° |
| C13 | C10 | H18 | 109.8° | 109.8° |
| C10 | C13 | H22 | 110.6° | 112.7° |
| C16 | C13 | H22 | 109.7° | 113.2° |
| C13 | C16 | H27 | 111.2° | 109.9° |
| C13 | C16 | H28 | 111.1° | 109.9° |
| C10 | C9 | O3 | 124.3° | 120.0° |
| C10 | C9 | N3 | 119.7° | 120.0° |
| C9 | C10 | H18 | 111.0° | 109.8° |
| C24 | C23 | H12 | 109.3° | 109.4° |
| C24 | C23 | H13 | 109.3° | 109.5° |
| C23 | C24 | H33 | 108.9° | 109.5° |
| C23 | C24 | H34 | 108.9° | 109.5° |
| O3 | C9 | N3 | 116.0° | 120.0° |
| C9 | N3 | C6 | 111.5° | 120.0° |
| C9 | N3 | H17 | 124.3° | 120.0° |
| N3 | C6 | C5 | 108.7° | 109.5° |
| N3 | C6 | C7 | 100.5° | 109.5° |
| N3 | C6 | H7 | 110.7° | 109.5° |
| C6 | N3 | H17 | 124.3° | 120.0° |
| C2 | C1 | C4 | 105.5° | 104.2° |
| C2 | C1 | C5 | 109.8° | 110.5° |
| C1 | C2 | C3 | 106.8° | 101.8° |
| C2 | C1 | H2 | 114.0° | 110.5° |
| C1 | C2 | H14 | 110.1° | 111.0° |
| C1 | C2 | H15 | 110.1° | 111.0° |
| C4 | C1 | C5 | 110.0° | 110.4° |
| C1 | C4 | O1 | 126.3° | 125.0° |
| C1 | C4 | N1 | 105.3° | 110.1° |
| C4 | C1 | H2 | 108.8° | 110.5° |
| C1 | C5 | C6 | 102.7° | 109.5° |
| C5 | C1 | H2 | 108.7° | 110.6° |
| C1 | C5 | H5 | 111.1° | 109.4° |
| C1 | C5 | H6 | 111.2° | 109.5° |
| C5 | C6 | C7 | 117.8° | 109.5° |
| C6 | C5 | H5 | 111.2° | 109.5° |
| C6 | C5 | H6 | 111.1° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.4° |
| C6 | C7 | O6 | 119.5° | 120.0° |
| C6 | C7 | C8 | 121.4° | 120.0° |
| C7 | C6 | H7 | 109.5° | 109.5° |
| O6 | C7 | C8 | 119.1° | 120.0° |
| C2 | C3 | N1 | 106.6° | 105.5° |
| C2 | C3 | H3 | 110.2° | 110.2° |
| C2 | C3 | H4 | 110.2° | 110.3° |
| C3 | C2 | H14 | 110.1° | 110.9° |
| C3 | C2 | H15 | 110.2° | 111.0° |
| C3 | N1 | C4 | 106.8° | 111.3° |
| N1 | C3 | H3 | 110.2° | 110.3° |
| N1 | C3 | H4 | 110.2° | 110.2° |
| C3 | N1 | H16 | 126.6° | 124.3° |
| O1 | C4 | N1 | 128.4° | 124.9° |
| C4 | N1 | H16 | 126.6° | 124.3° |
| C7 | C8 | N2 | 112.7° | 120.0° |
| C7 | C8 | O2 | 121.2° | 119.9° |
| N2 | C8 | O2 | 126.1° | 120.1° |
| C8 | N2 | C25 | 122.8° | 120.0° |
| C8 | N2 | H1 | 118.6° | 120.0° |
| N2 | C25 | C29 | 107.6° | 110.0° |
| N2 | C25 | C26 | 100.7° | 110.1° |
| C25 | N2 | H1 | 118.6° | 120.0° |
| N2 | C25 | H36 | 117.2° | 110.0° |
| C28 | C27 | C26 | 104.8° | 104.2° |
| C27 | C28 | C29 | 106.8° | 102.8° |
| C28 | C27 | H39 | 110.6° | 110.5° |
| C28 | C27 | H40 | 110.6° | 110.5° |
| C27 | C28 | H41 | 110.1° | 110.8° |
| C27 | C28 | H42 | 110.1° | 110.8° |
| C27 | C26 | C25 | 102.3° | 106.6° |
| C27 | C26 | H37 | 111.2° | 110.0° |
| C27 | C26 | H38 | 111.2° | 110.1° |
| C26 | C27 | H39 | 110.6° | 110.5° |
| C26 | C27 | H40 | 110.6° | 110.5° |
| C28 | C29 | C25 | 105.9° | 104.2° |
| C29 | C28 | H41 | 110.1° | 110.7° |
| C29 | C28 | H42 | 110.2° | 110.7° |
| C28 | C29 | H43 | 110.4° | 110.5° |
| C28 | C29 | H44 | 110.4° | 110.5° |
| C29 | C25 | C26 | 104.3° | 106.6° |
| C29 | C25 | H36 | 112.9° | 110.0° |
| C25 | C29 | H43 | 110.3° | 110.5° |
| C25 | C29 | H44 | 110.3° | 110.5° |
| C26 | C25 | H36 | 112.7° | 110.0° |
| C25 | C26 | H37 | 111.2° | 110.0° |
| C25 | C26 | H38 | 111.2° | 110.1° |
| H3 | C3 | H4 | 109.5° | 110.3° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H14 | C2 | H15 | 109.5° | 110.8° |
| H19 | C11 | H20 | 109.4° | 110.3° |
| H23 | C14 | H24 | 109.5° | 110.4° |
| H25 | C15 | H26 | 109.5° | 110.1° |
| H27 | C16 | H28 | 109.5° | 110.0° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.4° |
| H37 | C26 | H38 | 109.5° | 110.0° |
| H39 | C27 | H40 | 109.4° | 110.5° |
| H41 | C28 | H42 | 109.5° | 110.8° |
| H43 | C29 | H44 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C31 | F1 | F2 | 112.9° | 120.0° |
| F3 | C31 | F1 | C30 | 114.0° | 120.0° |
| F3 | C31 | F2 | C30 | 112.5° | 120.0° |
| F3 | C31 | C30 | O5 | 7.4° | 120.0° |
| F3 | C31 | C30 | N5 | 170.4° | 60.0° |
| F1 | C31 | F2 | C30 | 131.3° | 120.0° |
| F1 | C31 | C30 | O5 | 124.9° | 0.0° |
| F1 | C31 | C30 | N5 | 52.9° | 180.0° |
| F2 | C31 | C30 | O5 | 105.5° | 120.0° |
| F2 | C31 | C30 | N5 | 76.7° | 60.0° |
| C31 | C30 | O5 | N5 | 178.4° | 180.0° |
| C31 | C30 | N5 | C18 | 4.4° | 175.0° |
| C31 | C30 | N5 | H35 | 175.6° | 5.0° |
| O5 | C30 | N5 | C18 | 177.7° | 5.0° |
| O5 | C30 | N5 | H35 | 2.3° | 175.0° |
| C30 | N5 | C18 | H35 | 180.0° | 180.0° |
| C30 | N5 | C18 | C19 | 40.7° | 158.7° |
| C30 | N5 | C18 | C17 | 97.7° | 81.3° |
| C30 | N5 | C18 | H29 | 154.1° | 38.7° |
| N5 | C18 | C19 | C20 | 43.6° | 60.4° |
| N5 | C18 | C19 | C17 | 136.7° | 120.0° |
| N5 | C18 | C19 | H29 | 113.8° | 120.0° |
| N5 | C18 | C17 | H29 | 108.6° | 120.0° |
| N5 | C18 | C19 | C24 | 162.4° | 59.6° |
| N5 | C18 | C17 | N4 | 54.2° | 160.0° |
| N5 | C18 | C17 | O4 | 128.2° | 20.0° |
| N5 | C18 | C19 | H30 | 78.7° | 179.6° |
| C21 | C20 | C19 | H31 | 120.4° | 120.0° |
| C21 | C20 | C19 | H32 | 120.3° | 120.0° |
| C20 | C21 | C22 | H8 | 120.8° | 120.0° |
| C20 | C21 | C22 | H9 | 120.8° | 119.9° |
| C21 | C20 | C19 | C18 | 61.3° | 180.0° |
| C21 | C20 | C19 | C24 | 55.4° | 60.0° |
| C20 | C21 | C22 | C23 | 42.9° | 60.0° |
| C20 | C21 | H8 | H9 | 117.5° | 120.0° |
| C20 | C21 | C22 | H10 | 163.6° | 60.0° |
| C20 | C21 | C22 | H11 | 77.7° | 180.0° |
| C21 | C20 | C19 | H30 | 176.6° | 59.9° |
| C21 | C20 | H31 | H32 | 118.8° | 120.0° |
| C19 | C20 | C21 | C22 | 46.7° | 60.0° |
| C20 | C19 | C18 | C24 | 118.8° | 120.0° |
| C20 | C19 | C18 | H30 | 122.3° | 120.0° |
| C20 | C19 | C18 | C17 | 179.7° | 59.6° |
| C20 | C19 | C24 | H30 | 121.2° | 120.0° |
| C20 | C19 | C24 | C23 | 62.6° | 60.0° |
| C19 | C20 | C21 | H8 | 74.2° | 60.0° |
| C19 | C20 | C21 | H9 | 167.5° | 180.0° |
| C20 | C19 | C18 | H29 | 70.2° | 179.6° |
| C19 | C20 | H31 | H32 | 118.9° | 120.0° |
| C20 | C19 | C24 | H33 | 57.7° | 60.0° |
| C20 | C19 | C24 | H34 | 177.0° | 179.9° |
| C21 | C22 | C23 | H10 | 120.6° | 120.0° |
| C21 | C22 | C23 | H11 | 120.6° | 120.0° |
| C21 | C22 | C23 | C24 | 47.6° | 60.0° |
| C22 | C21 | H8 | H9 | 117.4° | 120.0° |
| C21 | C22 | H10 | H11 | 118.0° | 120.0° |
| C21 | C22 | C23 | H12 | 72.5° | 180.0° |
| C21 | C22 | C23 | H13 | 167.8° | 60.0° |
| C22 | C21 | C20 | H31 | 73.7° | 180.0° |
| C22 | C21 | C20 | H32 | 167.0° | 60.0° |
| C12 | C14 | C15 | H23 | 119.3° | 118.8° |
| C12 | C14 | C15 | H24 | 119.3° | 118.9° |
| C14 | C12 | C11 | C13 | 110.4° | 108.4° |
| C14 | C12 | C11 | H21 | 123.2° | 128.4° |
| C14 | C12 | C11 | N4 | 73.8° | 73.4° |
| C14 | C12 | C13 | H21 | 120.7° | 124.6° |
| C12 | C14 | C15 | C16 | 10.5° | 23.2° |
| C14 | C12 | C13 | C10 | 79.2° | 79.8° |
| C14 | C12 | C13 | C16 | 31.9° | 34.8° |
| C14 | C12 | C11 | H19 | 167.2° | 45.5° |
| C14 | C12 | C11 | H20 | 45.1° | 167.6° |
| C14 | C12 | C13 | H22 | 157.2° | 158.2° |
| C12 | C14 | H23 | H24 | 122.1° | 122.3° |
| C12 | C14 | C15 | H25 | 109.1° | 142.5° |
| C12 | C14 | C15 | H26 | 130.1° | 96.1° |
| C15 | C14 | C12 | C11 | 127.1° | 143.3° |
| C15 | C14 | C12 | C13 | 17.0° | 35.7° |
| C14 | C15 | C16 | H25 | 119.6° | 119.4° |
| C14 | C15 | C16 | H26 | 119.6° | 119.2° |
| C14 | C15 | C16 | C13 | 26.2° | 1.3° |
| C15 | C14 | C12 | H21 | 109.1° | 88.7° |
| C15 | C14 | H23 | H24 | 122.1° | 122.3° |
| C14 | C15 | H25 | H26 | 121.2° | 121.3° |
| C14 | C15 | C16 | H27 | 145.1° | 120.7° |
| C14 | C15 | C16 | H28 | 92.7° | 118.1° |
| C19 | C18 | C17 | H29 | 109.4° | 120.0° |
| C18 | C19 | C24 | H30 | 118.6° | 120.0° |
| C19 | C18 | C17 | N4 | 163.8° | 80.0° |
| C19 | C18 | C17 | O4 | 13.9° | 100.0° |
| C18 | C19 | C24 | C23 | 57.6° | 180.0° |
| C18 | C19 | C20 | H31 | 178.4° | 60.0° |
| C18 | C19 | C20 | H32 | 59.1° | 60.0° |
| C18 | C19 | C24 | H33 | 177.9° | 60.0° |
| C18 | C19 | C24 | H34 | 62.8° | 59.9° |
| C19 | C18 | N5 | H35 | 139.3° | 21.4° |
| C18 | C17 | N4 | C11 | 1.3° | 5.1° |
| C17 | C18 | C19 | C24 | 61.0° | 179.6° |
| C18 | C17 | N4 | O4 | 177.8° | 180.0° |
| C18 | C17 | N4 | C10 | 175.2° | 174.9° |
| C17 | C18 | C19 | H30 | 57.9° | 60.4° |
| C17 | C18 | N5 | H35 | 82.3° | 98.6° |
| C12 | C11 | N4 | H19 | 119.0° | 119.0° |
| C12 | C11 | N4 | H20 | 119.0° | 119.0° |
| C11 | C12 | C13 | H21 | 121.7° | 123.0° |
| C12 | C11 | N4 | C17 | 168.0° | 156.2° |
| C12 | C11 | N4 | C10 | 15.0° | 23.8° |
| C11 | C12 | C13 | C10 | 38.4° | 32.6° |
| C11 | C12 | C13 | C16 | 149.5° | 147.3° |
| C12 | C11 | H19 | H20 | 123.1° | 122.1° |
| C11 | C12 | C13 | H22 | 85.2° | 89.3° |
| C11 | C12 | C14 | H23 | 7.8° | 24.5° |
| C11 | C12 | C14 | H24 | 113.6° | 97.8° |
| N4 | C11 | C12 | C13 | 36.6° | 35.0° |
| C11 | N4 | C17 | C10 | 176.5° | 180.0° |
| C11 | N4 | C17 | O4 | 179.0° | 174.9° |
| C11 | N4 | C10 | C13 | 5.8° | 2.4° |
| C11 | N4 | C10 | C9 | 118.6° | 117.1° |
| C11 | N4 | C10 | H18 | 117.5° | 122.0° |
| N4 | C11 | H19 | H20 | 123.0° | 121.9° |
| N4 | C11 | C12 | H21 | 163.0° | 158.1° |
| C19 | C24 | C23 | C22 | 58.4° | 60.0° |
| C19 | C24 | C23 | H33 | 120.3° | 120.0° |
| C19 | C24 | C23 | H34 | 120.3° | 120.0° |
| C19 | C24 | C23 | H12 | 61.7° | 180.0° |
| C19 | C24 | C23 | H13 | 178.6° | 60.0° |
| C24 | C19 | C18 | H29 | 48.6° | 60.5° |
| C24 | C19 | C20 | H31 | 65.0° | 180.0° |
| C24 | C19 | C20 | H32 | 175.7° | 60.0° |
| C19 | C24 | H33 | H34 | 119.0° | 119.9° |
| C12 | C13 | C16 | C15 | 41.5° | 20.8° |
| C12 | C13 | C10 | N4 | 32.1° | 19.5° |
| C12 | C13 | C10 | C16 | 113.4° | 111.0° |
| C12 | C13 | C10 | H22 | 128.6° | 122.1° |
| C12 | C13 | C16 | H22 | 130.3° | 123.2° |
| C12 | C13 | C10 | C9 | 145.3° | 139.1° |
| C12 | C13 | C10 | H18 | 94.9° | 100.1° |
| C13 | C12 | C11 | H19 | 82.3° | 153.9° |
| C13 | C12 | C11 | H20 | 155.6° | 84.0° |
| C13 | C12 | C14 | H23 | 102.2° | 83.1° |
| C13 | C12 | C14 | H24 | 136.3° | 154.6° |
| C12 | C13 | C16 | H27 | 160.4° | 98.6° |
| C12 | C13 | C16 | H28 | 77.4° | 140.2° |
| C15 | C16 | C13 | C10 | 69.5° | 89.3° |
| C15 | C16 | C13 | H27 | 118.9° | 119.4° |
| C15 | C16 | C13 | H28 | 118.9° | 119.4° |
| C15 | C16 | C13 | H22 | 171.9° | 144.1° |
| C16 | C15 | C14 | H23 | 129.8° | 95.6° |
| C16 | C15 | C14 | H24 | 108.7° | 142.1° |
| C16 | C15 | H25 | H26 | 121.2° | 121.3° |
| C15 | C16 | H27 | H28 | 123.2° | 121.1° |
| C22 | C23 | C24 | H12 | 120.1° | 120.0° |
| C22 | C23 | C24 | H13 | 120.2° | 120.0° |
| C23 | C22 | C21 | H8 | 77.9° | 60.0° |
| C23 | C22 | C21 | H9 | 163.7° | 180.0° |
| C23 | C22 | H10 | H11 | 118.0° | 120.0° |
| C22 | C23 | H12 | H13 | 119.5° | 120.0° |
| C22 | C23 | C24 | H33 | 61.9° | 60.0° |
| C22 | C23 | C24 | H34 | 178.8° | 180.0° |
| C17 | N4 | C10 | C13 | 171.4° | 177.6° |
| C17 | N4 | C10 | C9 | 58.6° | 62.8° |
| C17 | N4 | C10 | H18 | 65.4° | 58.0° |
| C17 | N4 | C11 | H19 | 73.0° | 37.2° |
| C17 | N4 | C11 | H20 | 49.1° | 84.8° |
| N4 | C17 | C18 | H29 | 54.4° | 39.9° |
| C10 | N4 | C17 | O4 | 2.5° | 5.0° |
| N4 | C10 | C13 | C9 | 113.3° | 119.6° |
| N4 | C10 | C13 | H18 | 127.0° | 119.6° |
| N4 | C10 | C13 | C16 | 145.5° | 130.6° |
| N4 | C10 | C9 | H18 | 127.0° | 120.8° |
| N4 | C10 | C9 | O3 | 44.9° | 15.8° |
| N4 | C10 | C9 | N3 | 134.0° | 164.2° |
| C10 | N4 | C11 | H19 | 104.0° | 142.8° |
| C10 | N4 | C11 | H20 | 133.9° | 95.2° |
| N4 | C10 | C13 | H22 | 96.5° | 102.6° |
| O4 | C17 | C18 | H29 | 123.2° | 140.0° |
| C10 | C13 | C16 | H22 | 118.6° | 126.6° |
| C13 | C10 | C9 | H18 | 119.0° | 120.8° |
| C13 | C10 | C9 | O3 | 69.1° | 102.6° |
| C13 | C10 | C9 | N3 | 112.0° | 77.5° |
| C10 | C13 | C12 | H21 | 160.2° | 155.6° |
| C10 | C13 | C16 | H27 | 49.4° | 151.2° |
| C10 | C13 | C16 | H28 | 171.6° | 30.0° |
| C16 | C13 | C10 | C9 | 101.3° | 109.9° |
| C16 | C13 | C10 | H18 | 18.5° | 10.9° |
| C16 | C13 | C12 | H21 | 88.8° | 89.8° |
| C13 | C16 | C15 | H25 | 93.4° | 120.7° |
| C13 | C16 | C15 | H26 | 145.8° | 118.0° |
| C13 | C16 | H27 | H28 | 123.2° | 121.1° |
| C10 | C9 | O3 | N3 | 178.9° | 179.9° |
| C10 | C9 | N3 | C6 | 179.1° | 175.1° |
| C10 | C9 | N3 | H17 | 0.9° | 5.0° |
| C9 | C10 | C13 | H22 | 16.8° | 17.0° |
| C24 | C23 | C22 | H10 | 168.3° | 60.0° |
| C24 | C23 | C22 | H11 | 73.0° | 180.0° |
| C24 | C23 | H12 | H13 | 119.6° | 120.0° |
| C23 | C24 | C19 | H30 | 176.2° | 60.0° |
| C23 | C24 | H33 | H34 | 119.0° | 120.0° |
| O3 | C9 | N3 | C6 | 0.2° | 4.9° |
| O3 | C9 | N3 | H17 | 179.8° | 175.0° |
| O3 | C9 | C10 | H18 | 171.9° | 136.6° |
| C9 | N3 | C6 | H17 | 180.0° | 179.9° |
| C9 | N3 | C6 | C5 | 136.7° | 151.2° |
| C9 | N3 | C6 | C7 | 99.0° | 88.8° |
| C9 | N3 | C6 | H7 | 16.6° | 31.3° |
| N3 | C9 | C10 | H18 | 7.0° | 43.4° |
| N3 | C6 | C5 | C1 | 83.2° | 173.3° |
| N3 | C6 | C5 | C7 | 113.4° | 120.0° |
| N3 | C6 | C5 | H7 | 120.9° | 120.0° |
| N3 | C6 | C7 | H7 | 116.5° | 120.0° |
| N3 | C6 | C7 | O6 | 10.1° | 27.0° |
| N3 | C6 | C7 | C8 | 168.9° | 153.0° |
| N3 | C6 | C5 | H5 | 157.9° | 66.8° |
| N3 | C6 | C5 | H6 | 35.7° | 53.2° |
| C2 | C1 | C4 | C5 | 118.3° | 118.7° |
| C2 | C1 | C4 | H2 | 122.7° | 118.7° |
| C2 | C1 | C5 | H2 | 125.2° | 122.7° |
| C2 | C1 | C5 | C6 | 65.3° | 173.0° |
| C1 | C2 | C3 | H14 | 119.6° | 118.1° |
| C1 | C2 | C3 | H15 | 119.6° | 118.2° |
| C1 | C2 | C3 | N1 | 30.4° | 25.4° |
| C2 | C1 | C4 | O1 | 159.6° | 163.8° |
| C2 | C1 | C4 | N1 | 20.7° | 16.3° |
| C1 | C2 | C3 | H3 | 150.0° | 144.4° |
| C1 | C2 | C3 | H4 | 89.1° | 93.6° |
| C2 | C1 | C5 | H5 | 53.6° | 53.0° |
| C2 | C1 | C5 | H6 | 175.8° | 67.0° |
| C1 | C2 | H14 | H15 | 121.2° | 123.9° |
| C4 | C1 | C5 | H2 | 119.1° | 122.6° |
| C4 | C1 | C5 | C6 | 179.0° | 72.3° |
| C4 | C1 | C2 | C3 | 28.5° | 24.8° |
| C1 | C4 | N1 | C3 | 0.4° | 0.3° |
| C1 | C4 | O1 | N1 | 179.7° | 179.9° |
| C4 | C1 | C5 | H5 | 62.1° | 167.8° |
| C4 | C1 | C5 | H6 | 60.1° | 47.8° |
| C4 | C1 | C2 | H14 | 91.1° | 93.3° |
| C4 | C1 | C2 | H15 | 148.1° | 142.9° |
| C1 | C4 | N1 | H16 | 179.7° | 179.6° |
| C1 | C5 | C6 | H5 | 118.9° | 120.0° |
| C1 | C5 | C6 | H6 | 118.9° | 120.0° |
| C1 | C5 | C6 | C7 | 163.4° | 66.7° |
| C5 | C1 | C2 | C3 | 147.0° | 143.4° |
| C5 | C1 | C4 | O1 | 41.3° | 45.1° |
| C5 | C1 | C4 | N1 | 139.0° | 135.0° |
| C1 | C5 | H5 | H6 | 123.2° | 120.0° |
| C1 | C5 | C6 | H7 | 37.7° | 53.3° |
| C5 | C1 | C2 | H14 | 27.4° | 25.3° |
| C5 | C1 | C2 | H15 | 93.4° | 98.4° |
| C5 | C6 | C7 | H7 | 125.6° | 120.0° |
| C5 | C6 | C7 | O6 | 127.9° | 93.0° |
| C5 | C6 | C7 | C8 | 51.0° | 87.0° |
| C6 | C5 | C1 | H2 | 59.9° | 50.3° |
| C6 | C5 | H5 | H6 | 123.1° | 120.0° |
| C5 | C6 | N3 | H17 | 43.3° | 28.8° |
| C6 | C7 | O6 | C8 | 179.0° | 180.0° |
| C6 | C7 | C8 | N2 | 117.2° | 177.2° |
| C6 | C7 | C8 | O2 | 62.1° | 2.9° |
| C7 | C6 | C5 | H5 | 44.5° | 53.2° |
| C7 | C6 | C5 | H6 | 77.7° | 173.2° |
| C7 | C6 | N3 | H17 | 81.0° | 91.2° |
| O6 | C7 | C8 | N2 | 63.9° | 2.8° |
| O6 | C7 | C8 | O2 | 116.9° | 177.1° |
| O6 | C7 | C6 | H7 | 106.4° | 147.0° |
| C2 | C3 | N1 | H3 | 119.5° | 119.0° |
| C2 | C3 | N1 | H4 | 119.5° | 119.0° |
| C2 | C3 | N1 | C4 | 14.9° | 16.9° |
| C3 | C2 | C1 | H2 | 90.8° | 93.9° |
| C2 | C3 | H3 | H4 | 121.3° | 122.0° |
| C3 | C2 | H14 | H15 | 121.3° | 123.8° |
| C2 | C3 | N1 | H16 | 165.1° | 163.0° |
| C3 | N1 | C4 | O1 | 179.9° | 179.6° |
| C3 | N1 | C4 | H16 | 180.0° | 179.9° |
| N1 | C3 | H3 | H4 | 121.3° | 122.0° |
| N1 | C3 | C2 | H14 | 89.1° | 92.8° |
| N1 | C3 | C2 | H15 | 150.0° | 143.6° |
| O1 | C4 | C1 | H2 | 77.7° | 77.5° |
| O1 | C4 | N1 | H16 | 0.1° | 0.5° |
| N1 | C4 | C1 | H2 | 102.0° | 102.4° |
| C4 | N1 | C3 | H3 | 134.4° | 135.9° |
| C4 | N1 | C3 | H4 | 104.6° | 102.1° |
| C7 | C8 | N2 | O2 | 179.2° | 180.0° |
| C7 | C8 | N2 | C25 | 180.0° | 180.0° |
| C7 | C8 | N2 | H1 | 0.0° | 0.3° |
| C8 | C7 | C6 | H7 | 74.6° | 33.0° |
| C8 | N2 | C25 | H1 | 180.0° | 179.6° |
| C8 | N2 | C25 | C29 | 171.8° | 88.2° |
| C8 | N2 | C25 | C26 | 79.3° | 154.7° |
| C8 | N2 | C25 | H36 | 43.3° | 33.3° |
| O2 | C8 | N2 | C25 | 0.8° | 0.1° |
| O2 | C8 | N2 | H1 | 179.2° | 179.7° |
| N2 | C25 | C26 | C27 | 74.2° | 119.3° |
| N2 | C25 | C29 | C28 | 87.9° | 142.9° |
| N2 | C25 | C29 | C26 | 106.4° | 119.3° |
| N2 | C25 | C29 | H36 | 130.9° | 121.4° |
| N2 | C25 | C26 | H36 | 125.7° | 121.4° |
| N2 | C25 | C26 | H37 | 44.6° | 121.5° |
| N2 | C25 | C26 | H38 | 166.9° | 0.1° |
| N2 | C25 | C29 | H43 | 152.7° | 24.2° |
| N2 | C25 | C29 | H44 | 31.6° | 98.4° |
| C28 | C27 | C26 | H39 | 119.3° | 118.7° |
| C28 | C27 | C26 | H40 | 119.3° | 118.7° |
| C27 | C28 | C29 | H41 | 119.6° | 118.4° |
| C27 | C28 | C29 | H42 | 119.6° | 118.4° |
| C27 | C28 | C29 | C25 | 3.6° | 37.9° |
| C28 | C27 | C26 | C25 | 38.4° | 23.6° |
| C28 | C27 | C26 | H37 | 157.3° | 95.7° |
| C28 | C27 | C26 | H38 | 80.4° | 142.9° |
| C28 | C27 | H39 | H40 | 122.1° | 122.7° |
| C27 | C28 | H41 | H42 | 121.2° | 123.4° |
| C27 | C28 | C29 | H43 | 123.1° | 80.7° |
| C27 | C28 | C29 | H44 | 115.8° | 156.6° |
| C26 | C27 | C28 | C29 | 28.8° | 37.9° |
| C27 | C26 | C25 | C29 | 37.3° | 0.0° |
| C27 | C26 | C25 | H37 | 118.9° | 119.2° |
| C27 | C26 | C25 | H38 | 118.8° | 119.4° |
| C27 | C26 | C25 | H36 | 160.1° | 119.3° |
| C27 | C26 | H37 | H38 | 123.3° | 121.4° |
| C26 | C27 | H39 | H40 | 122.2° | 122.6° |
| C26 | C27 | C28 | H41 | 90.8° | 80.4° |
| C26 | C27 | C28 | H42 | 148.4° | 156.2° |
| C28 | C29 | C25 | H43 | 119.5° | 118.7° |
| C28 | C29 | C25 | H44 | 119.5° | 118.7° |
| C28 | C29 | C25 | C26 | 18.5° | 23.6° |
| C28 | C29 | C25 | H36 | 141.3° | 95.7° |
| C29 | C28 | C27 | H39 | 90.5° | 156.6° |
| C29 | C28 | C27 | H40 | 148.1° | 80.7° |
| C29 | C28 | H41 | H42 | 121.3° | 123.3° |
| C28 | C29 | H43 | H44 | 121.7° | 122.6° |
| C29 | C25 | C26 | H36 | 122.9° | 119.3° |
| C29 | C25 | N2 | H1 | 8.2° | 92.2° |
| C29 | C25 | C26 | H37 | 156.1° | 119.2° |
| C29 | C25 | C26 | H38 | 81.6° | 119.3° |
| C25 | C29 | C28 | H41 | 116.0° | 80.4° |
| C25 | C29 | C28 | H42 | 123.2° | 156.3° |
| C25 | C29 | H43 | H44 | 121.6° | 122.6° |
| C26 | C25 | N2 | H1 | 100.7° | 25.0° |
| C25 | C26 | H37 | H38 | 123.3° | 121.4° |
| C25 | C26 | C27 | H39 | 80.8° | 142.3° |
| C25 | C26 | C27 | H40 | 157.7° | 95.1° |
| C26 | C25 | C29 | H43 | 100.9° | 95.1° |
| C26 | C25 | C29 | H44 | 138.0° | 142.3° |
| H1 | N2 | C25 | H36 | 136.7° | 146.4° |
| H2 | C1 | C5 | H5 | 178.8° | 69.7° |
| H2 | C1 | C5 | H6 | 59.0° | 170.4° |
| H2 | C1 | C2 | H14 | 149.6° | 148.0° |
| H2 | C1 | C2 | H15 | 28.8° | 24.3° |
| H3 | C3 | C2 | H14 | 30.4° | 26.3° |
| H3 | C3 | C2 | H15 | 90.4° | 97.4° |
| H3 | C3 | N1 | H16 | 45.5° | 44.0° |
| H4 | C3 | C2 | H14 | 151.3° | 148.2° |
| H4 | C3 | C2 | H15 | 30.5° | 24.6° |
| H4 | C3 | N1 | H16 | 75.4° | 78.0° |
| H5 | C5 | C6 | H7 | 81.2° | 173.2° |
| H6 | C5 | C6 | H7 | 156.6° | 66.8° |
| H7 | C6 | N3 | H17 | 163.4° | 148.8° |
| H8 | C21 | C22 | H10 | 42.8° | 180.0° |
| H8 | C21 | C22 | H11 | 161.5° | 60.0° |
| H8 | C21 | C20 | H31 | 165.5° | 60.0° |
| H8 | C21 | C20 | H32 | 46.2° | 180.0° |
| H9 | C21 | C22 | H10 | 75.6° | 60.0° |
| H9 | C21 | C22 | H11 | 43.1° | 60.0° |
| H9 | C21 | C20 | H31 | 47.1° | 60.0° |
| H9 | C21 | C20 | H32 | 72.2° | 60.0° |
| H10 | C22 | C23 | H12 | 48.1° | 60.0° |
| H10 | C22 | C23 | H13 | 71.6° | 180.0° |
| H11 | C22 | C23 | H12 | 166.8° | 60.0° |
| H11 | C22 | C23 | H13 | 47.2° | 60.0° |
| H12 | C23 | C24 | H33 | 178.0° | 60.0° |
| H12 | C23 | C24 | H34 | 58.6° | 60.0° |
| H13 | C23 | C24 | H33 | 58.3° | 180.0° |
| H13 | C23 | C24 | H34 | 61.1° | 60.0° |
| H18 | C10 | C13 | H22 | 136.5° | 137.8° |
| H19 | C11 | C12 | H21 | 44.0° | 82.9° |
| H20 | C11 | C12 | H21 | 78.1° | 39.1° |
| H21 | C12 | C13 | H22 | 36.5° | 33.7° |
| H21 | C12 | C14 | H23 | 131.7° | 152.5° |
| H21 | C12 | C14 | H24 | 10.2° | 30.2° |
| H22 | C13 | C16 | H27 | 69.2° | 24.6° |
| H22 | C13 | C16 | H28 | 53.0° | 96.6° |
| H23 | C14 | C15 | H25 | 10.2° | 23.8° |
| H23 | C14 | C15 | H26 | 110.6° | 145.2° |
| H24 | C14 | C15 | H25 | 131.7° | 98.6° |
| H24 | C14 | C15 | H26 | 10.9° | 22.8° |
| H25 | C15 | C16 | H27 | 25.5° | 119.9° |
| H25 | C15 | C16 | H28 | 147.7° | 1.3° |
| H26 | C15 | C16 | H27 | 95.3° | 1.4° |
| H26 | C15 | C16 | H28 | 26.9° | 122.7° |
| H29 | C18 | C19 | H30 | 167.4° | 59.5° |
| H29 | C18 | N5 | H35 | 25.9° | 141.3° |
| H30 | C19 | C20 | H31 | 56.2° | 60.0° |
| H30 | C19 | C20 | H32 | 63.1° | 180.0° |
| H30 | C19 | C24 | H33 | 63.5° | 180.0° |
| H30 | C19 | C24 | H34 | 55.9° | 60.1° |
| H36 | C25 | C26 | H37 | 81.0° | 0.1° |
| H36 | C25 | C26 | H38 | 41.3° | 121.4° |
| H36 | C25 | C29 | H43 | 21.8° | 145.6° |
| H36 | C25 | C29 | H44 | 99.3° | 23.0° |
| H37 | C26 | C27 | H39 | 38.0° | 23.0° |
| H37 | C26 | C27 | H40 | 83.4° | 145.7° |
| H38 | C26 | C27 | H39 | 160.3° | 98.4° |
| H38 | C26 | C27 | H40 | 38.9° | 24.3° |
| H39 | C27 | C28 | H41 | 150.0° | 38.3° |
| H39 | C27 | C28 | H42 | 29.1° | 85.1° |
| H40 | C27 | C28 | H41 | 28.5° | 161.0° |
| H40 | C27 | C28 | H42 | 92.3° | 37.6° |
| H41 | C28 | C29 | H43 | 3.5° | 160.9° |
| H41 | C28 | C29 | H44 | 124.6° | 38.3° |
| H42 | C28 | C29 | H43 | 117.4° | 37.6° |
| H42 | C28 | C29 | H44 | 3.8° | 85.0° |
