X9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C16 | sing | 1.40Å | 1.35Å | |
| F3 | C16 | sing | 1.40Å | 1.31Å | |
| C16 | F2 | sing | 1.40Å | 1.33Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | O2 | doub | 1.21Å | 1.21Å | |
| C15 | N2 | sing | 1.35Å | 1.32Å | |
| C13 | C11 | sing | 1.53Å | 1.54Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C26 | C25 | sing | 1.55Å | 1.49Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| O3 | C9 | doub | 1.21Å | 1.22Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C25 | C24 | sing | 1.54Å | 1.51Å | |
| C27 | O6 | doub | 1.21Å | 1.24Å | |
| C27 | N5 | sing | 1.34Å | 1.34Å | |
| N1 | C8 | sing | 1.48Å | 1.47Å | |
| N1 | C2 | sing | 1.48Å | 1.45Å | |
| C8 | C4 | sing | 1.54Å | 1.51Å | |
| C24 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C23 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.54Å | 1.50Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C5 | C3 | sing | 1.53Å | 1.50Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| N3 | C17 | sing | 1.46Å | 1.47Å | |
| C23 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | O4 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| O5 | C19 | doub | 1.21Å | 1.22Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C22 | sing | 1.48Å | 1.46Å | |
| N4 | C20 | sing | 1.48Å | 1.46Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C16 | F3 | 106.6° | 109.5° |
| F1 | C16 | F2 | 113.1° | 109.4° |
| F1 | C16 | C15 | 113.9° | 109.5° |
| F3 | C16 | F2 | 103.3° | 109.5° |
| F3 | C16 | C15 | 111.1° | 109.5° |
| F2 | C16 | C15 | 108.4° | 109.4° |
| C16 | C15 | O2 | 118.5° | 120.1° |
| C16 | C15 | N2 | 115.4° | 120.0° |
| C14 | C11 | C13 | 109.0° | 109.5° |
| C14 | C11 | C10 | 107.5° | 109.5° |
| C14 | C11 | C12 | 109.0° | 109.5° |
| C11 | C14 | H33 | 109.5° | 109.5° |
| C11 | C14 | H34 | 109.5° | 109.5° |
| C11 | C14 | H35 | 109.5° | 109.5° |
| O2 | C15 | N2 | 126.1° | 120.0° |
| C15 | N2 | C10 | 121.7° | 120.0° |
| C15 | N2 | H27 | 119.1° | 120.1° |
| C13 | C11 | C10 | 114.5° | 109.4° |
| C13 | C11 | C12 | 110.5° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| N2 | C10 | C11 | 113.0° | 109.4° |
| N2 | C10 | C9 | 106.7° | 109.5° |
| N2 | C10 | H11 | 108.0° | 109.5° |
| C10 | N2 | H27 | 119.1° | 120.0° |
| C10 | C11 | C12 | 106.2° | 109.5° |
| C11 | C10 | C9 | 114.7° | 109.4° |
| C11 | C10 | H11 | 106.9° | 109.4° |
| C11 | C12 | H30 | 109.5° | 109.4° |
| C11 | C12 | H31 | 109.5° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.5° |
| C10 | C9 | O3 | 121.2° | 120.1° |
| C10 | C9 | N1 | 116.5° | 119.9° |
| C9 | C10 | H11 | 107.2° | 109.5° |
| C25 | C26 | C27 | 105.6° | 104.2° |
| C26 | C25 | C24 | 105.7° | 101.8° |
| C25 | C26 | H24 | 110.5° | 110.5° |
| C25 | C26 | H25 | 110.4° | 110.5° |
| C26 | C25 | H39 | 110.4° | 111.0° |
| C26 | C25 | H40 | 110.4° | 111.0° |
| C26 | C27 | O6 | 126.5° | 125.0° |
| C26 | C27 | N5 | 108.1° | 110.1° |
| C27 | C26 | H24 | 110.4° | 110.5° |
| C27 | C26 | H25 | 110.4° | 110.5° |
| O3 | C9 | N1 | 122.2° | 120.0° |
| C9 | N1 | C8 | 126.8° | 127.9° |
| C9 | N1 | C2 | 119.4° | 127.8° |
| C25 | C24 | N5 | 104.0° | 105.5° |
| C25 | C24 | H22 | 110.9° | 110.2° |
| C25 | C24 | H23 | 110.8° | 110.4° |
| C24 | C25 | H39 | 110.4° | 111.0° |
| C24 | C25 | H40 | 110.4° | 110.9° |
| O6 | C27 | N5 | 125.4° | 125.0° |
| C27 | N5 | C24 | 113.0° | 111.3° |
| C27 | N5 | C23 | 123.7° | 124.4° |
| C8 | N1 | C2 | 113.7° | 104.3° |
| N1 | C8 | C4 | 104.8° | 104.6° |
| N1 | C8 | H9 | 110.6° | 110.4° |
| N1 | C8 | H10 | 110.6° | 110.4° |
| N1 | C2 | C1 | 108.3° | 110.4° |
| N1 | C2 | C3 | 104.8° | 104.6° |
| N1 | C2 | H26 | 111.2° | 110.4° |
| C8 | C4 | C5 | 119.6° | 118.1° |
| C8 | C4 | C3 | 108.1° | 105.0° |
| C8 | C4 | H2 | 118.2° | 118.2° |
| C4 | C8 | H9 | 110.6° | 110.4° |
| C4 | C8 | H10 | 110.7° | 110.4° |
| C24 | N5 | C23 | 123.2° | 124.3° |
| N5 | C24 | H22 | 110.8° | 110.2° |
| N5 | C24 | H23 | 110.8° | 110.3° |
| N5 | C23 | C17 | 113.3° | 109.5° |
| N5 | C23 | H37 | 108.5° | 109.5° |
| N5 | C23 | H38 | 108.5° | 109.4° |
| C6 | C5 | C4 | 116.2° | 117.4° |
| C6 | C5 | C3 | 122.6° | 117.5° |
| C6 | C5 | C7 | 114.1° | 115.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C1 | C2 | C3 | 111.7° | 110.4° |
| C2 | C1 | O1 | 118.4° | 120.0° |
| C2 | C1 | N3 | 116.5° | 120.0° |
| C1 | C2 | H26 | 110.4° | 110.3° |
| C2 | C3 | C4 | 108.1° | 105.0° |
| C2 | C3 | C5 | 120.5° | 118.1° |
| C3 | C2 | H26 | 110.2° | 110.5° |
| C2 | C3 | H28 | 117.7° | 118.2° |
| O1 | C1 | N3 | 125.0° | 120.0° |
| C5 | C4 | C3 | 59.9° | 59.7° |
| C4 | C5 | C3 | 59.9° | 60.6° |
| C4 | C5 | C7 | 117.8° | 117.5° |
| C5 | C4 | H2 | 118.2° | 119.5° |
| C4 | C3 | C5 | 60.1° | 59.7° |
| C3 | C4 | H2 | 118.3° | 121.8° |
| C4 | C3 | H28 | 118.0° | 121.8° |
| C1 | N3 | C17 | 123.1° | 120.0° |
| C1 | N3 | H1 | 118.5° | 119.9° |
| C3 | C5 | C7 | 115.6° | 117.5° |
| C5 | C3 | H28 | 118.0° | 119.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.4° | 109.5° |
| C5 | C7 | H8 | 109.4° | 109.5° |
| N3 | C17 | C23 | 110.8° | 109.5° |
| N3 | C17 | C18 | 107.2° | 109.5° |
| C17 | N3 | H1 | 118.5° | 120.1° |
| N3 | C17 | H15 | 108.2° | 109.5° |
| C23 | C17 | C18 | 115.8° | 109.5° |
| C23 | C17 | H15 | 107.4° | 109.5° |
| C17 | C23 | H37 | 108.5° | 109.5° |
| C17 | C23 | H38 | 108.5° | 109.5° |
| C17 | C18 | O4 | 107.0° | 109.4° |
| C17 | C18 | C19 | 110.7° | 109.5° |
| C18 | C17 | H15 | 107.2° | 109.4° |
| C17 | C18 | H36 | 110.1° | 109.4° |
| O4 | C18 | C19 | 106.9° | 109.5° |
| C18 | O4 | H29 | 109.5° | 114.0° |
| O4 | C18 | H36 | 111.9° | 109.5° |
| C18 | C19 | O5 | 119.0° | 119.9° |
| C18 | C19 | N4 | 122.1° | 120.0° |
| C19 | C18 | H36 | 110.1° | 109.5° |
| O5 | C19 | N4 | 118.8° | 120.0° |
| C19 | N4 | C22 | 136.8° | 134.5° |
| C19 | N4 | C20 | 130.2° | 134.6° |
| C22 | N4 | C20 | 92.8° | 90.9° |
| N4 | C22 | C21 | 86.8° | 86.2° |
| N4 | C22 | H20 | 114.8° | 113.6° |
| N4 | C22 | H21 | 114.8° | 113.9° |
| N4 | C20 | C21 | 86.9° | 86.2° |
| N4 | C20 | H16 | 114.8° | 113.8° |
| N4 | C20 | H17 | 114.8° | 113.8° |
| C22 | C21 | C20 | 87.2° | 86.3° |
| C22 | C21 | H18 | 114.7° | 113.8° |
| C22 | C21 | H19 | 114.7° | 113.8° |
| C21 | C22 | H20 | 114.8° | 113.8° |
| C21 | C22 | H21 | 114.8° | 113.8° |
| C21 | C20 | H16 | 114.8° | 113.8° |
| C21 | C20 | H17 | 114.8° | 113.8° |
| C20 | C21 | H18 | 114.7° | 113.8° |
| C20 | C21 | H19 | 114.7° | 113.7° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.4° | 110.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 112.9° |
| H18 | C21 | H19 | 109.5° | 113.0° |
| H20 | C22 | H21 | 109.4° | 112.9° |
| H22 | C24 | H23 | 109.5° | 110.2° |
| H24 | C26 | H25 | 109.5° | 110.5° |
| H30 | C12 | H31 | 109.4° | 109.5° |
| H30 | C12 | H32 | 109.5° | 109.5° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.5° |
| H33 | C14 | H35 | 109.4° | 109.5° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H39 | C25 | H40 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C16 | F3 | F2 | 119.4° | 120.0° |
| F1 | C16 | F3 | C15 | 124.6° | 120.1° |
| F1 | C16 | F2 | C15 | 127.2° | 120.0° |
| F1 | C16 | C15 | O2 | 64.9° | 120.0° |
| F1 | C16 | C15 | N2 | 115.9° | 60.0° |
| F3 | C16 | F2 | C15 | 117.9° | 120.0° |
| F3 | C16 | C15 | O2 | 174.7° | 120.0° |
| F3 | C16 | C15 | N2 | 4.5° | 60.0° |
| F2 | C16 | C15 | O2 | 61.9° | 0.0° |
| F2 | C16 | C15 | N2 | 117.4° | 180.0° |
| C16 | C15 | O2 | N2 | 179.2° | 180.0° |
| C16 | C15 | N2 | C10 | 176.6° | 180.0° |
| C16 | C15 | N2 | H27 | 3.4° | 0.1° |
| C14 | C11 | C13 | C10 | 120.4° | 120.0° |
| C14 | C11 | C13 | C12 | 119.8° | 120.0° |
| C14 | C11 | C10 | N2 | 57.7° | 67.6° |
| C14 | C11 | C10 | C12 | 116.6° | 120.0° |
| C14 | C11 | C10 | C9 | 179.6° | 52.4° |
| C14 | C11 | C10 | H11 | 61.0° | 172.4° |
| C14 | C11 | C13 | H12 | 180.0° | 179.0° |
| C14 | C11 | C13 | H13 | 60.0° | 59.1° |
| C14 | C11 | C13 | H14 | 60.0° | 60.9° |
| C14 | C11 | C12 | H30 | 180.0° | 180.0° |
| C14 | C11 | C12 | H31 | 60.0° | 60.0° |
| C14 | C11 | C12 | H32 | 60.0° | 60.0° |
| C11 | C14 | H33 | H34 | 120.0° | 120.0° |
| C11 | C14 | H33 | H35 | 120.0° | 120.0° |
| C11 | C14 | H34 | H35 | 120.0° | 120.0° |
| O2 | C15 | N2 | C10 | 4.2° | 0.1° |
| O2 | C15 | N2 | H27 | 175.8° | 180.0° |
| C15 | N2 | C10 | H27 | 180.0° | 179.9° |
| C15 | N2 | C10 | C11 | 105.5° | 97.5° |
| C15 | N2 | C10 | C9 | 127.6° | 142.6° |
| C15 | N2 | C10 | H11 | 12.6° | 22.4° |
| C13 | C11 | C10 | N2 | 63.5° | 172.4° |
| C13 | C11 | C10 | C12 | 122.2° | 120.0° |
| C13 | C11 | C10 | C9 | 59.2° | 67.6° |
| C13 | C11 | C10 | H11 | 177.8° | 52.4° |
| C11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C12 | H30 | 60.2° | 60.0° |
| C13 | C11 | C12 | H31 | 179.8° | 180.0° |
| C13 | C11 | C12 | H32 | 59.8° | 60.0° |
| C13 | C11 | C14 | H33 | 180.0° | 57.9° |
| C13 | C11 | C14 | H34 | 60.0° | 178.0° |
| C13 | C11 | C14 | H35 | 60.0° | 62.0° |
| N2 | C10 | C11 | C9 | 122.7° | 120.0° |
| N2 | C10 | C11 | H11 | 118.7° | 120.0° |
| N2 | C10 | C11 | C12 | 174.3° | 52.4° |
| N2 | C10 | C9 | H11 | 115.5° | 120.1° |
| N2 | C10 | C9 | O3 | 58.3° | 136.9° |
| N2 | C10 | C9 | N1 | 118.3° | 43.1° |
| C11 | C10 | C9 | H11 | 118.5° | 120.0° |
| C11 | C10 | C9 | O3 | 67.7° | 17.0° |
| C11 | C10 | C9 | N1 | 115.7° | 163.0° |
| C10 | C11 | C13 | H12 | 59.6° | 61.0° |
| C10 | C11 | C13 | H13 | 179.6° | 179.1° |
| C10 | C11 | C13 | H14 | 60.4° | 59.1° |
| C11 | C10 | N2 | H27 | 74.5° | 82.6° |
| C10 | C11 | C12 | H30 | 64.5° | 60.0° |
| C10 | C11 | C12 | H31 | 55.5° | 60.0° |
| C10 | C11 | C12 | H32 | 175.5° | 180.0° |
| C10 | C11 | C14 | H33 | 55.4° | 177.9° |
| C10 | C11 | C14 | H34 | 64.6° | 62.0° |
| C10 | C11 | C14 | H35 | 175.4° | 57.9° |
| C12 | C11 | C10 | C9 | 63.0° | 172.4° |
| C12 | C11 | C10 | H11 | 55.6° | 67.6° |
| C12 | C11 | C13 | H12 | 60.2° | 59.0° |
| C12 | C11 | C13 | H13 | 59.8° | 60.9° |
| C12 | C11 | C13 | H14 | 179.8° | 179.1° |
| C11 | C12 | H30 | H31 | 120.0° | 120.0° |
| C11 | C12 | H30 | H32 | 120.0° | 120.0° |
| C11 | C12 | H31 | H32 | 120.0° | 120.0° |
| C12 | C11 | C14 | H33 | 59.3° | 62.1° |
| C12 | C11 | C14 | H34 | 179.3° | 58.0° |
| C12 | C11 | C14 | H35 | 60.7° | 178.0° |
| C10 | C9 | O3 | N1 | 176.4° | 180.0° |
| C10 | C9 | N1 | C8 | 5.5° | 3.2° |
| C10 | C9 | N1 | C2 | 176.4° | 176.4° |
| C9 | C10 | N2 | H27 | 52.4° | 37.3° |
| C25 | C26 | C27 | H24 | 119.4° | 118.7° |
| C25 | C26 | C27 | H25 | 119.4° | 118.7° |
| C26 | C25 | C24 | H39 | 119.4° | 118.2° |
| C26 | C25 | C24 | H40 | 119.4° | 118.1° |
| C25 | C26 | C27 | O6 | 176.3° | 163.8° |
| C25 | C26 | C27 | N5 | 4.3° | 16.2° |
| C26 | C25 | C24 | N5 | 18.7° | 25.4° |
| C26 | C25 | C24 | H22 | 100.4° | 93.6° |
| C26 | C25 | C24 | H23 | 137.8° | 144.4° |
| C25 | C26 | H24 | H25 | 121.8° | 122.6° |
| C26 | C25 | H39 | H40 | 121.7° | 123.8° |
| C27 | C26 | C25 | C24 | 14.3° | 24.8° |
| C26 | C27 | O6 | N5 | 179.4° | 180.0° |
| C26 | C27 | N5 | C24 | 8.3° | 0.4° |
| C26 | C27 | N5 | C23 | 168.1° | 179.6° |
| C27 | C26 | H24 | H25 | 121.8° | 122.6° |
| C27 | C26 | C25 | H39 | 133.8° | 142.9° |
| C27 | C26 | C25 | H40 | 105.1° | 93.3° |
| O3 | C9 | N1 | C8 | 171.0° | 176.8° |
| O3 | C9 | N1 | C2 | 7.0° | 3.5° |
| O3 | C9 | C10 | H11 | 173.8° | 103.0° |
| C9 | N1 | C8 | C2 | 178.2° | 179.7° |
| C9 | N1 | C8 | C4 | 171.8° | 140.7° |
| C9 | N1 | C2 | C1 | 69.3° | 100.6° |
| C9 | N1 | C2 | C3 | 171.3° | 140.7° |
| C9 | N1 | C8 | H9 | 52.5° | 21.9° |
| C9 | N1 | C8 | H10 | 69.0° | 100.6° |
| N1 | C9 | C10 | H11 | 2.8° | 77.0° |
| C9 | N1 | C2 | H26 | 52.2° | 21.7° |
| C25 | C24 | N5 | C27 | 17.2° | 17.0° |
| C25 | C24 | N5 | H22 | 119.1° | 119.0° |
| C25 | C24 | N5 | H23 | 119.1° | 119.2° |
| C25 | C24 | N5 | C23 | 159.2° | 163.0° |
| C25 | C24 | H22 | H23 | 122.6° | 122.1° |
| C24 | C25 | C26 | H24 | 133.7° | 94.0° |
| C24 | C25 | C26 | H25 | 105.0° | 143.5° |
| C24 | C25 | H39 | H40 | 121.7° | 123.8° |
| O6 | C27 | N5 | C24 | 171.1° | 179.6° |
| O6 | C27 | N5 | C23 | 12.5° | 0.4° |
| O6 | C27 | C26 | H24 | 56.9° | 77.5° |
| O6 | C27 | C26 | H25 | 64.4° | 45.1° |
| C27 | N5 | C24 | C23 | 176.4° | 180.0° |
| C27 | N5 | C23 | C17 | 132.6° | 91.3° |
| C27 | N5 | C24 | H22 | 101.9° | 102.0° |
| C27 | N5 | C24 | H23 | 136.3° | 136.1° |
| N5 | C27 | C26 | H24 | 123.7° | 102.5° |
| N5 | C27 | C26 | H25 | 115.1° | 134.9° |
| C27 | N5 | C23 | H37 | 106.9° | 148.6° |
| C27 | N5 | C23 | H38 | 12.0° | 28.6° |
| N1 | C8 | C4 | H9 | 119.3° | 118.8° |
| N1 | C8 | C4 | H10 | 119.3° | 118.8° |
| C8 | N1 | C2 | C1 | 112.4° | 79.2° |
| C8 | N1 | C2 | C3 | 7.0° | 39.6° |
| N1 | C8 | C4 | C5 | 62.2° | 39.4° |
| N1 | C8 | C4 | C3 | 2.9° | 23.9° |
| N1 | C8 | C4 | H2 | 140.8° | 163.6° |
| N1 | C8 | H9 | H10 | 122.2° | 122.5° |
| C8 | N1 | C2 | H26 | 126.1° | 158.5° |
| C2 | N1 | C8 | C4 | 6.4° | 39.6° |
| N1 | C2 | C1 | C3 | 115.0° | 115.2° |
| N1 | C2 | C1 | H26 | 122.0° | 122.4° |
| N1 | C2 | C3 | H26 | 119.8° | 118.9° |
| N1 | C2 | C1 | O1 | 39.9° | 21.2° |
| N1 | C2 | C3 | C4 | 4.8° | 23.8° |
| N1 | C2 | C1 | N3 | 141.1° | 158.8° |
| N1 | C2 | C3 | C5 | 60.7° | 39.5° |
| C2 | N1 | C8 | H9 | 125.6° | 158.3° |
| C2 | N1 | C8 | H10 | 112.9° | 79.2° |
| N1 | C2 | C3 | H28 | 141.6° | 163.5° |
| C8 | C4 | C5 | C6 | 19.2° | 16.2° |
| C8 | C4 | C3 | C2 | 1.1° | 0.0° |
| C8 | C4 | C5 | C3 | 94.9° | 91.5° |
| C8 | C4 | C5 | H2 | 157.0° | 156.7° |
| C8 | C4 | C3 | H2 | 137.8° | 137.8° |
| C8 | C4 | C5 | C7 | 160.1° | 160.8° |
| C4 | C8 | H9 | H10 | 122.2° | 122.4° |
| C8 | C4 | C3 | H28 | 137.9° | 137.8° |
| C24 | N5 | C23 | C17 | 51.4° | 88.6° |
| N5 | C24 | H22 | H23 | 122.5° | 121.9° |
| C24 | N5 | C23 | H37 | 69.2° | 31.4° |
| C24 | N5 | C23 | H38 | 172.0° | 151.4° |
| N5 | C24 | C25 | H39 | 138.1° | 143.5° |
| N5 | C24 | C25 | H40 | 100.8° | 92.7° |
| N5 | C23 | C17 | N3 | 64.7° | 54.4° |
| N5 | C23 | C17 | H37 | 120.6° | 120.0° |
| N5 | C23 | C17 | H38 | 120.6° | 119.9° |
| N5 | C23 | C17 | C18 | 173.1° | 174.4° |
| N5 | C23 | C17 | H15 | 53.3° | 65.6° |
| C23 | N5 | C24 | H22 | 81.7° | 78.0° |
| C23 | N5 | C24 | H23 | 40.1° | 43.9° |
| N5 | C23 | H37 | H38 | 118.3° | 119.9° |
| C6 | C5 | C3 | C2 | 9.2° | 16.1° |
| C6 | C5 | C4 | C3 | 114.1° | 107.7° |
| C6 | C5 | C4 | C7 | 140.8° | 144.6° |
| C6 | C5 | C3 | C7 | 147.7° | 144.7° |
| C6 | C5 | C4 | H2 | 137.8° | 140.5° |
| C5 | C6 | H3 | H4 | 120.0° | 120.1° |
| C5 | C6 | H3 | H5 | 120.0° | 119.9° |
| C5 | C6 | H4 | H5 | 120.0° | 119.9° |
| C6 | C5 | C7 | H6 | 180.0° | 153.9° |
| C6 | C5 | C7 | H7 | 60.0° | 86.0° |
| C6 | C5 | C7 | H8 | 60.0° | 34.0° |
| C6 | C5 | C3 | H28 | 148.4° | 140.6° |
| C1 | C2 | C3 | H26 | 123.1° | 122.4° |
| C2 | C1 | O1 | N3 | 179.0° | 180.0° |
| C1 | C2 | C3 | C4 | 112.4° | 94.9° |
| C1 | C2 | C3 | C5 | 177.8° | 158.3° |
| C2 | C1 | N3 | C17 | 163.6° | 177.5° |
| C2 | C1 | N3 | H1 | 16.4° | 2.5° |
| C1 | C2 | C3 | H28 | 24.5° | 44.7° |
| C3 | C2 | C1 | O1 | 75.1° | 94.0° |
| C2 | C3 | C5 | C4 | 94.5° | 91.5° |
| C2 | C3 | C4 | H28 | 136.7° | 137.9° |
| C3 | C2 | C1 | N3 | 104.0° | 86.0° |
| C2 | C3 | C5 | H28 | 157.6° | 156.7° |
| C2 | C3 | C5 | C7 | 156.8° | 160.8° |
| C2 | C3 | C4 | H2 | 136.7° | 137.9° |
| O1 | C1 | N3 | C17 | 15.4° | 2.5° |
| O1 | C1 | N3 | H1 | 164.6° | 177.6° |
| O1 | C1 | C2 | H26 | 161.8° | 143.6° |
| C5 | C4 | C3 | H2 | 108.0° | 108.0° |
| C4 | C5 | C3 | C7 | 108.7° | 107.6° |
| C4 | C5 | C6 | H3 | 180.0° | 64.0° |
| C4 | C5 | C6 | H4 | 60.0° | 175.9° |
| C4 | C5 | C6 | H5 | 60.0° | 56.0° |
| C4 | C5 | C7 | H6 | 38.4° | 8.6° |
| C4 | C5 | C7 | H7 | 158.4° | 128.7° |
| C4 | C5 | C7 | H8 | 81.6° | 111.3° |
| C5 | C4 | C8 | H9 | 57.1° | 79.4° |
| C5 | C4 | C8 | H10 | 178.6° | 158.2° |
| C5 | C4 | C3 | H28 | 107.9° | 108.0° |
| C3 | C4 | C8 | H9 | 122.2° | 142.7° |
| C3 | C4 | C8 | H10 | 116.3° | 94.9° |
| C4 | C3 | C2 | H26 | 124.5° | 142.7° |
| C1 | N3 | C17 | H1 | 180.0° | 180.0° |
| C1 | N3 | C17 | C23 | 127.6° | 96.4° |
| C1 | N3 | C17 | C18 | 105.3° | 143.6° |
| C1 | N3 | C17 | H15 | 10.1° | 23.6° |
| N3 | C1 | C2 | H26 | 19.1° | 36.4° |
| C3 | C5 | C6 | H3 | 110.4° | 133.2° |
| C3 | C5 | C6 | H4 | 9.6° | 106.7° |
| C3 | C5 | C6 | H5 | 129.6° | 13.3° |
| C3 | C5 | C7 | H6 | 29.6° | 60.6° |
| C3 | C5 | C7 | H7 | 90.4° | 59.4° |
| C3 | C5 | C7 | H8 | 149.6° | 179.4° |
| C5 | C3 | C2 | H26 | 59.1° | 79.4° |
| C7 | C5 | C4 | H2 | 3.0° | 4.1° |
| C7 | C5 | C6 | H3 | 37.7° | 81.3° |
| C7 | C5 | C6 | H4 | 157.7° | 38.8° |
| C7 | C5 | C6 | H5 | 82.3° | 158.7° |
| C5 | C7 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | H6 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C5 | C3 | H28 | 0.8° | 4.1° |
| N3 | C17 | C23 | C18 | 122.3° | 120.0° |
| N3 | C17 | C23 | H15 | 118.0° | 120.0° |
| N3 | C17 | C18 | H15 | 116.0° | 120.0° |
| N3 | C17 | C18 | O4 | 49.0° | 60.0° |
| N3 | C17 | C18 | C19 | 165.1° | 60.0° |
| N3 | C17 | C18 | H36 | 72.8° | 180.0° |
| N3 | C17 | C23 | H37 | 174.8° | 65.6° |
| N3 | C17 | C23 | H38 | 55.9° | 174.4° |
| C23 | C17 | C18 | H15 | 119.8° | 120.0° |
| C23 | C17 | C18 | O4 | 173.2° | 60.0° |
| C23 | C17 | C18 | C19 | 70.7° | 180.0° |
| C23 | C17 | N3 | H1 | 52.4° | 83.6° |
| C23 | C17 | C18 | H36 | 51.4° | 60.0° |
| C17 | C23 | H37 | H38 | 118.2° | 120.0° |
| C17 | C18 | O4 | C19 | 118.7° | 120.0° |
| C17 | C18 | O4 | H36 | 120.7° | 119.9° |
| C17 | C18 | C19 | H36 | 122.1° | 119.9° |
| C17 | C18 | C19 | O5 | 60.4° | 115.0° |
| C17 | C18 | C19 | N4 | 116.3° | 65.0° |
| C18 | C17 | N3 | H1 | 74.7° | 36.4° |
| C17 | C18 | O4 | H29 | 180.0° | 60.0° |
| C18 | C17 | C23 | H37 | 52.5° | 54.4° |
| C18 | C17 | C23 | H38 | 66.3° | 65.7° |
| O4 | C18 | C19 | H36 | 121.7° | 120.1° |
| O4 | C18 | C19 | O5 | 176.7° | 5.0° |
| O4 | C18 | C19 | N4 | 0.1° | 175.0° |
| O4 | C18 | C17 | H15 | 67.0° | 180.0° |
| C18 | C19 | O5 | N4 | 176.9° | 180.0° |
| C18 | C19 | N4 | C22 | 8.7° | 180.0° |
| C18 | C19 | N4 | C20 | 177.4° | 0.1° |
| C19 | C18 | C17 | H15 | 49.2° | 60.0° |
| C19 | C18 | O4 | H29 | 61.4° | 60.0° |
| O5 | C19 | N4 | C22 | 168.0° | 0.0° |
| O5 | C19 | N4 | C20 | 5.8° | 179.8° |
| O5 | C19 | C18 | H36 | 61.6° | 125.0° |
| C19 | N4 | C22 | C20 | 175.3° | 179.9° |
| C19 | N4 | C22 | C21 | 156.1° | 155.4° |
| C19 | N4 | C20 | C21 | 156.5° | 155.4° |
| C19 | N4 | C20 | H16 | 40.6° | 41.0° |
| C19 | N4 | C20 | H17 | 87.6° | 90.3° |
| C19 | N4 | C22 | H20 | 88.0° | 90.3° |
| C19 | N4 | C22 | H21 | 40.1° | 41.0° |
| N4 | C19 | C18 | H36 | 121.6° | 54.9° |
| N4 | C22 | C21 | H20 | 115.9° | 114.2° |
| N4 | C22 | C21 | H21 | 115.9° | 114.5° |
| C22 | N4 | C20 | C21 | 19.3° | 24.5° |
| C22 | N4 | C20 | H16 | 135.2° | 138.9° |
| C22 | N4 | C20 | H17 | 96.7° | 89.9° |
| N4 | C22 | C21 | H18 | 134.3° | 137.9° |
| N4 | C22 | C21 | H19 | 97.7° | 90.8° |
| N4 | C22 | H20 | H21 | 130.8° | 131.8° |
| N4 | C20 | C21 | H16 | 115.9° | 114.4° |
| N4 | C20 | C21 | H17 | 115.9° | 114.3° |
| N4 | C20 | H16 | H17 | 130.8° | 131.6° |
| N4 | C20 | C21 | H18 | 134.3° | 137.9° |
| N4 | C20 | C21 | H19 | 97.7° | 90.9° |
| C20 | N4 | C22 | H20 | 96.7° | 89.8° |
| C20 | N4 | C22 | H21 | 135.2° | 138.9° |
| C22 | C21 | C20 | H18 | 116.0° | 114.4° |
| C22 | C21 | C20 | H19 | 116.0° | 114.4° |
| C22 | C21 | C20 | H16 | 134.2° | 137.9° |
| C22 | C21 | C20 | H17 | 97.7° | 90.8° |
| C22 | C21 | H18 | H19 | 130.6° | 131.7° |
| C21 | C22 | H20 | H21 | 130.8° | 131.7° |
| C21 | C20 | H16 | H17 | 130.8° | 131.7° |
| C20 | C21 | H18 | H19 | 130.6° | 131.5° |
| C20 | C21 | C22 | H20 | 97.6° | 90.7° |
| C20 | C21 | C22 | H21 | 134.2° | 138.0° |
| H1 | N3 | C17 | H15 | 169.9° | 156.4° |
| H2 | C4 | C8 | H9 | 99.9° | 77.7° |
| H2 | C4 | C8 | H10 | 21.5° | 44.8° |
| H2 | C4 | C3 | H28 | 0.0° | 0.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H11 | C10 | N2 | H27 | 167.4° | 157.4° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C18 | H36 | 171.2° | 60.0° |
| H15 | C17 | C23 | H37 | 67.2° | 174.4° |
| H15 | C17 | C23 | H38 | 173.9° | 54.3° |
| H16 | C20 | C21 | H18 | 109.8° | 107.7° |
| H16 | C20 | C21 | H19 | 18.2° | 23.5° |
| H17 | C20 | C21 | H18 | 18.3° | 23.6° |
| H17 | C20 | C21 | H19 | 146.3° | 154.7° |
| H18 | C21 | C22 | H20 | 18.3° | 23.7° |
| H18 | C21 | C22 | H21 | 109.8° | 107.6° |
| H19 | C21 | C22 | H20 | 146.4° | 155.0° |
| H19 | C21 | C22 | H21 | 18.2° | 23.7° |
| H22 | C24 | C25 | H39 | 19.0° | 24.6° |
| H22 | C24 | C25 | H40 | 140.1° | 148.3° |
| H23 | C24 | C25 | H39 | 102.8° | 97.4° |
| H23 | C24 | C25 | H40 | 18.3° | 26.3° |
| H24 | C26 | C25 | H39 | 106.8° | 24.2° |
| H24 | C26 | C25 | H40 | 14.3° | 148.0° |
| H25 | C26 | C25 | H39 | 14.4° | 98.4° |
| H25 | C26 | C25 | H40 | 135.6° | 25.4° |
| H26 | C2 | C3 | H28 | 98.6° | 77.6° |
| H29 | O4 | C18 | H36 | 59.3° | 179.9° |
| H30 | C12 | H31 | H32 | 120.0° | 120.0° |
| H33 | C14 | H34 | H35 | 120.0° | 120.0° |
