A1IMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C14 | C11 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| F3 | C2 | sing | 1.40Å | 1.39Å | |
| C26 | C24 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | sing | 1.46Å | 1.45Å | |
| C8 | C15 | sing | 1.51Å | 1.51Å | |
| O6 | C5 | doub | 1.21Å | 1.21Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | |
| F28 | C27 | sing | 1.40Å | 1.39Å | |
| C5 | C2 | sing | 1.51Å | 1.50Å | |
| C24 | N17 | sing | 1.48Å | 1.49Å | |
| C24 | C23 | sing | 1.54Å | 1.53Å | |
| F29 | C27 | sing | 1.40Å | 1.39Å | |
| C27 | C20 | sing | 1.53Å | 1.53Å | |
| C2 | F1 | sing | 1.40Å | 1.38Å | |
| C2 | F4 | sing | 1.40Å | 1.37Å | |
| C15 | N17 | sing | 1.35Å | 1.35Å | |
| C15 | O16 | doub | 1.21Å | 1.22Å | |
| N17 | C18 | sing | 1.48Å | 1.49Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C20 | C18 | sing | 1.54Å | 1.53Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | O31 | doub | 1.21Å | 1.20Å | |
| C30 | N32 | sing | 1.35Å | 1.33Å | |
| N32 | C33 | sing | 1.47Å | 1.45Å | |
| C42 | C40 | sing | 1.53Å | 1.55Å | |
| C37 | C33 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.51Å | 1.49Å | |
| O45 | C44 | doub | 1.21Å | 1.22Å | |
| N43 | C44 | sing | 1.34Å | 1.35Å | |
| N43 | C40 | sing | 1.47Å | 1.49Å | |
| C44 | C38 | sing | 1.51Å | 1.51Å | |
| C40 | C39 | sing | 1.54Å | 1.55Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.55Å | 1.54Å | |
| C35 | N36 | doub | 1.28Å | 1.27Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.08Å | 1.08Å | |
| C37 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C39 | H15 | sing | 1.09Å | 1.10Å | |
| C39 | H16 | sing | 1.09Å | 1.10Å | |
| N7 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| N32 | H29 | sing | 0.97Å | 1.00Å | |
| N36 | H30 | sing | 0.97Å | 1.00Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C42 | H38 | sing | 1.09Å | 1.10Å | |
| N43 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 89.3° | 87.1° |
| C13 | C12 | C11 | 91.2° | 87.1° |
| C13 | C12 | H3 | 113.8° | 113.6° |
| C13 | C12 | H4 | 113.8° | 113.7° |
| C12 | C13 | H20 | 114.2° | 113.6° |
| C12 | C13 | H21 | 114.3° | 113.6° |
| C13 | C14 | C11 | 90.3° | 87.0° |
| C14 | C13 | H20 | 114.2° | 113.5° |
| C14 | C13 | H21 | 114.2° | 113.7° |
| C13 | C14 | H22 | 114.0° | 113.6° |
| C13 | C14 | H23 | 114.0° | 113.6° |
| C12 | C11 | C14 | 88.5° | 87.2° |
| C12 | C11 | C10 | 112.9° | 113.6° |
| C12 | C11 | H2 | 112.0° | 113.6° |
| C11 | C12 | H3 | 113.8° | 113.6° |
| C11 | C12 | H4 | 113.8° | 113.6° |
| C14 | C11 | C10 | 117.4° | 113.6° |
| C14 | C11 | H2 | 112.1° | 113.6° |
| C11 | C14 | H22 | 114.0° | 113.6° |
| C11 | C14 | H23 | 114.0° | 113.7° |
| C11 | C10 | C8 | 112.3° | 109.5° |
| C10 | C11 | H2 | 112.0° | 112.9° |
| C11 | C10 | H18 | 108.7° | 109.5° |
| C11 | C10 | H19 | 108.7° | 109.5° |
| C10 | C8 | N7 | 107.2° | 109.5° |
| C10 | C8 | C15 | 108.9° | 109.5° |
| C10 | C8 | H1 | 110.2° | 109.4° |
| C8 | C10 | H18 | 108.8° | 109.5° |
| C8 | C10 | H19 | 108.8° | 109.4° |
| F3 | C2 | C5 | 109.8° | 109.5° |
| F3 | C2 | F1 | 110.3° | 109.5° |
| F3 | C2 | F4 | 104.5° | 109.5° |
| C24 | C26 | C27 | 109.3° | 109.6° |
| C26 | C24 | N17 | 108.9° | 107.9° |
| C26 | C24 | C23 | 112.7° | 108.4° |
| C26 | C24 | H8 | 109.8° | 111.1° |
| C24 | C26 | H27 | 109.5° | 109.5° |
| C24 | C26 | H28 | 109.5° | 109.5° |
| C26 | C27 | F28 | 109.3° | 109.4° |
| C26 | C27 | F29 | 112.2° | 109.5° |
| C26 | C27 | C20 | 109.2° | 110.0° |
| C27 | C26 | H27 | 109.5° | 109.4° |
| C27 | C26 | H28 | 109.5° | 109.5° |
| N7 | C8 | C15 | 108.5° | 109.5° |
| C8 | N7 | C5 | 122.9° | 120.0° |
| N7 | C8 | H1 | 111.4° | 109.5° |
| C8 | N7 | H17 | 118.5° | 120.1° |
| C8 | C15 | N17 | 122.0° | 120.0° |
| C8 | C15 | O16 | 119.0° | 120.0° |
| C15 | C8 | H1 | 110.5° | 109.4° |
| O6 | C5 | N7 | 121.9° | 120.0° |
| O6 | C5 | C2 | 120.8° | 120.0° |
| N7 | C5 | C2 | 117.2° | 120.0° |
| C5 | N7 | H17 | 118.5° | 119.9° |
| F28 | C27 | F29 | 105.6° | 109.3° |
| F28 | C27 | C20 | 110.1° | 109.4° |
| C5 | C2 | F1 | 109.3° | 109.5° |
| C5 | C2 | F4 | 112.8° | 109.5° |
| N17 | C24 | C23 | 104.6° | 108.1° |
| C24 | N17 | C15 | 125.1° | 122.0° |
| C24 | N17 | C18 | 113.8° | 116.0° |
| N17 | C24 | H8 | 110.6° | 110.6° |
| C24 | C23 | C22 | 107.7° | 109.7° |
| C24 | C23 | H6 | 109.9° | 109.5° |
| C24 | C23 | H7 | 109.9° | 109.3° |
| C23 | C24 | H8 | 110.1° | 110.7° |
| F29 | C27 | C20 | 110.3° | 109.4° |
| C27 | C20 | C18 | 108.1° | 109.0° |
| C27 | C20 | C22 | 110.1° | 109.1° |
| C27 | C20 | H24 | 109.8° | 109.7° |
| F1 | C2 | F4 | 110.1° | 109.4° |
| N17 | C15 | O16 | 119.0° | 120.0° |
| C15 | N17 | C18 | 121.1° | 122.0° |
| N17 | C18 | C20 | 107.5° | 106.8° |
| N17 | C18 | C30 | 110.4° | 110.0° |
| N17 | C18 | H5 | 107.5° | 110.0° |
| C23 | C22 | C20 | 109.8° | 110.0° |
| C22 | C23 | H6 | 109.9° | 109.4° |
| C22 | C23 | H7 | 109.9° | 109.5° |
| C23 | C22 | H25 | 109.4° | 109.4° |
| C23 | C22 | H26 | 109.4° | 109.3° |
| C18 | C20 | C22 | 109.4° | 109.0° |
| C20 | C18 | C30 | 116.9° | 110.0° |
| C20 | C18 | H5 | 106.9° | 110.1° |
| C18 | C20 | H24 | 109.7° | 109.7° |
| C22 | C20 | H24 | 109.7° | 110.3° |
| C20 | C22 | H25 | 109.4° | 109.4° |
| C20 | C22 | H26 | 109.4° | 109.4° |
| C18 | C30 | O31 | 120.9° | 120.0° |
| C18 | C30 | N32 | 118.1° | 120.0° |
| C30 | C18 | H5 | 107.2° | 110.0° |
| O31 | C30 | N32 | 120.6° | 120.0° |
| C30 | N32 | C33 | 121.7° | 120.0° |
| C30 | N32 | H29 | 119.1° | 120.0° |
| N32 | C33 | C37 | 102.1° | 109.5° |
| N32 | C33 | C35 | 109.4° | 109.4° |
| N32 | C33 | H9 | 110.7° | 109.5° |
| C33 | N32 | H29 | 119.1° | 120.0° |
| C42 | C40 | N43 | 111.0° | 110.3° |
| C42 | C40 | C39 | 108.0° | 110.3° |
| C42 | C40 | C41 | 110.0° | 110.2° |
| C40 | C42 | H36 | 109.5° | 109.5° |
| C40 | C42 | H37 | 109.5° | 109.5° |
| C40 | C42 | H38 | 109.5° | 109.5° |
| C33 | C37 | C38 | 115.7° | 109.5° |
| C37 | C33 | C35 | 114.6° | 109.5° |
| C37 | C33 | H9 | 109.6° | 109.5° |
| C33 | C37 | H12 | 107.9° | 109.5° |
| C33 | C37 | H13 | 107.8° | 109.5° |
| C37 | C38 | C44 | 110.6° | 110.5° |
| C37 | C38 | C39 | 113.8° | 110.5° |
| C38 | C37 | H12 | 107.9° | 109.5° |
| C38 | C37 | H13 | 107.9° | 109.5° |
| C37 | C38 | H14 | 109.3° | 110.4° |
| C33 | C35 | N36 | 111.8° | 120.0° |
| C35 | C33 | H9 | 110.2° | 109.5° |
| C33 | C35 | H10 | 124.1° | 119.9° |
| O45 | C44 | N43 | 125.9° | 125.0° |
| O45 | C44 | C38 | 123.3° | 125.0° |
| C44 | N43 | C40 | 112.1° | 111.3° |
| N43 | C44 | C38 | 110.8° | 110.1° |
| C44 | N43 | H39 | 124.0° | 124.3° |
| N43 | C40 | C39 | 103.9° | 105.4° |
| N43 | C40 | C41 | 110.2° | 110.2° |
| C40 | N43 | H39 | 124.0° | 124.4° |
| C44 | C38 | C39 | 104.2° | 104.2° |
| C44 | C38 | H14 | 109.7° | 110.5° |
| C39 | C40 | C41 | 113.5° | 110.2° |
| C40 | C39 | C38 | 105.0° | 101.8° |
| C40 | C39 | H15 | 110.6° | 111.0° |
| C40 | C39 | H16 | 110.6° | 111.0° |
| C40 | C41 | H33 | 109.5° | 109.5° |
| C40 | C41 | H34 | 109.5° | 109.5° |
| C40 | C41 | H35 | 109.5° | 109.5° |
| C39 | C38 | H14 | 109.3° | 110.5° |
| C38 | C39 | H15 | 110.6° | 111.0° |
| C38 | C39 | H16 | 110.6° | 110.9° |
| N36 | C35 | H10 | 124.1° | 120.0° |
| C35 | N36 | H30 | 112.0° | 120.0° |
| H3 | C12 | H4 | 109.5° | 112.9° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H12 | C37 | H13 | 109.5° | 109.5° |
| H15 | C39 | H16 | 109.5° | 110.9° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 112.9° |
| H22 | C14 | H23 | 109.5° | 112.9° |
| H25 | C22 | H26 | 109.5° | 109.3° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H33 | C41 | H34 | 109.5° | 109.4° |
| H33 | C41 | H35 | 109.5° | 109.5° |
| H34 | C41 | H35 | 109.4° | 109.4° |
| H36 | C42 | H37 | 109.5° | 109.4° |
| H36 | C42 | H38 | 109.5° | 109.4° |
| H37 | C42 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H20 | 116.4° | 114.6° |
| C12 | C13 | C14 | H21 | 116.4° | 114.6° |
| C13 | C12 | C11 | H3 | 116.8° | 114.5° |
| C13 | C12 | C11 | H4 | 116.8° | 114.6° |
| C12 | C13 | C14 | C11 | 6.3° | 25.4° |
| C13 | C12 | C11 | C10 | 125.5° | 140.0° |
| C13 | C12 | C11 | H2 | 107.0° | 89.2° |
| C13 | C12 | H3 | H4 | 128.6° | 131.3° |
| C12 | C13 | H20 | H21 | 129.6° | 131.3° |
| C12 | C13 | C14 | H22 | 122.9° | 89.1° |
| C12 | C13 | C14 | H23 | 110.4° | 140.0° |
| C13 | C14 | C11 | H22 | 116.6° | 114.5° |
| C13 | C14 | C11 | H23 | 116.6° | 114.5° |
| C13 | C14 | C11 | C10 | 121.3° | 139.9° |
| C13 | C14 | C11 | H2 | 107.0° | 89.2° |
| C14 | C13 | C12 | H3 | 110.6° | 139.9° |
| C14 | C13 | C12 | H4 | 123.0° | 89.2° |
| C14 | C13 | H20 | H21 | 129.6° | 131.2° |
| C13 | C14 | H22 | H23 | 129.1° | 131.2° |
| C12 | C11 | C14 | C10 | 115.1° | 114.6° |
| C12 | C11 | C14 | H2 | 113.2° | 114.6° |
| C12 | C11 | C10 | H2 | 127.5° | 131.2° |
| C12 | C11 | C10 | C8 | 174.7° | 173.8° |
| C11 | C12 | H3 | H4 | 128.6° | 131.3° |
| C12 | C11 | C10 | H18 | 64.9° | 53.8° |
| C12 | C11 | C10 | H19 | 54.3° | 66.2° |
| C11 | C12 | C13 | H20 | 110.1° | 89.1° |
| C11 | C12 | C13 | H21 | 122.7° | 140.0° |
| C12 | C11 | C14 | H22 | 122.8° | 89.1° |
| C12 | C11 | C14 | H23 | 110.4° | 139.9° |
| C14 | C11 | C10 | H2 | 131.8° | 131.2° |
| C14 | C11 | C10 | C8 | 84.6° | 88.6° |
| C14 | C11 | C12 | H3 | 110.6° | 139.9° |
| C14 | C11 | C12 | H4 | 123.1° | 89.2° |
| C14 | C11 | C10 | H18 | 35.8° | 151.4° |
| C14 | C11 | C10 | H19 | 155.0° | 31.4° |
| C11 | C14 | C13 | H20 | 110.1° | 89.2° |
| C11 | C14 | C13 | H21 | 122.7° | 140.0° |
| C11 | C14 | H22 | H23 | 129.1° | 131.4° |
| C11 | C10 | C8 | H18 | 120.4° | 120.0° |
| C11 | C10 | C8 | H19 | 120.4° | 120.0° |
| C11 | C10 | C8 | N7 | 70.0° | 63.3° |
| C11 | C10 | C8 | C15 | 172.8° | 176.6° |
| C11 | C10 | C8 | H1 | 51.4° | 56.6° |
| C10 | C11 | C12 | H3 | 8.7° | 105.5° |
| C10 | C11 | C12 | H4 | 117.7° | 25.4° |
| C11 | C10 | H18 | H19 | 118.7° | 120.0° |
| C10 | C11 | C14 | H22 | 122.1° | 25.5° |
| C10 | C11 | C14 | H23 | 4.7° | 105.5° |
| C10 | C8 | N7 | C15 | 117.4° | 120.1° |
| C10 | C8 | N7 | H1 | 120.7° | 120.0° |
| C10 | C8 | C15 | H1 | 121.2° | 120.0° |
| C10 | C8 | N7 | C5 | 113.3° | 60.0° |
| C10 | C8 | C15 | N17 | 83.4° | 76.8° |
| C10 | C8 | C15 | O16 | 96.3° | 103.2° |
| C8 | C10 | C11 | H2 | 47.2° | 42.6° |
| C10 | C8 | N7 | H17 | 66.7° | 120.0° |
| C8 | C10 | H18 | H19 | 118.7° | 119.9° |
| F3 | C2 | C5 | O6 | 102.3° | 120.0° |
| F3 | C2 | C5 | N7 | 75.6° | 59.9° |
| F3 | C2 | C5 | F1 | 121.1° | 120.0° |
| F3 | C2 | C5 | F4 | 116.0° | 120.0° |
| F3 | C2 | F1 | F4 | 114.8° | 120.0° |
| C24 | C26 | C27 | H27 | 120.0° | 120.0° |
| C24 | C26 | C27 | H28 | 120.0° | 120.1° |
| C24 | C26 | C27 | F28 | 111.0° | 119.8° |
| C26 | C24 | N17 | C23 | 120.7° | 117.0° |
| C26 | C24 | N17 | H8 | 120.8° | 121.7° |
| C26 | C24 | C23 | H8 | 123.0° | 122.1° |
| C24 | C26 | C27 | F29 | 132.2° | 120.5° |
| C24 | C26 | C27 | C20 | 9.5° | 0.3° |
| C26 | C24 | N17 | C15 | 116.2° | 121.5° |
| C26 | C24 | N17 | C18 | 61.4° | 58.5° |
| C26 | C24 | C23 | C22 | 49.3° | 60.9° |
| C26 | C24 | C23 | H6 | 70.4° | 59.1° |
| C26 | C24 | C23 | H7 | 169.1° | 179.0° |
| C24 | C26 | H27 | H28 | 120.1° | 120.0° |
| C26 | C27 | F28 | F29 | 120.9° | 119.8° |
| C26 | C27 | F28 | C20 | 120.0° | 120.5° |
| C27 | C26 | C24 | N17 | 51.6° | 56.6° |
| C27 | C26 | C24 | C23 | 64.0° | 60.2° |
| C26 | C27 | F29 | C20 | 122.1° | 120.6° |
| C26 | C27 | C20 | C18 | 66.3° | 59.6° |
| C26 | C27 | C20 | C22 | 53.1° | 59.3° |
| C27 | C26 | C24 | H8 | 172.9° | 177.9° |
| C26 | C27 | C20 | H24 | 174.0° | 179.7° |
| C27 | C26 | H27 | H28 | 120.1° | 119.9° |
| N7 | C8 | C15 | H1 | 122.4° | 120.0° |
| C8 | N7 | C5 | O6 | 0.4° | 0.1° |
| C8 | N7 | C5 | H17 | 180.0° | 179.9° |
| C8 | N7 | C5 | C2 | 177.6° | 180.0° |
| N7 | C8 | C15 | N17 | 160.2° | 163.1° |
| N7 | C8 | C15 | O16 | 20.1° | 16.9° |
| N7 | C8 | C10 | H18 | 50.4° | 176.6° |
| N7 | C8 | C10 | H19 | 169.6° | 56.7° |
| C15 | C8 | N7 | C5 | 129.2° | 60.1° |
| C8 | C15 | N17 | C24 | 1.7° | 4.6° |
| C8 | C15 | N17 | O16 | 179.7° | 180.0° |
| C8 | C15 | N17 | C18 | 179.1° | 175.5° |
| C15 | C8 | N7 | H17 | 50.8° | 120.0° |
| C15 | C8 | C10 | H18 | 66.7° | 56.6° |
| C15 | C8 | C10 | H19 | 52.4° | 63.4° |
| O6 | C5 | N7 | C2 | 177.9° | 179.9° |
| O6 | C5 | C2 | F1 | 18.7° | 0.1° |
| O6 | C5 | C2 | F4 | 141.6° | 120.0° |
| O6 | C5 | N7 | H17 | 179.7° | 180.0° |
| N7 | C5 | C2 | F1 | 163.3° | 180.0° |
| N7 | C5 | C2 | F4 | 40.4° | 60.1° |
| C5 | N7 | C8 | H1 | 7.4° | 180.0° |
| F28 | C27 | F29 | C20 | 118.9° | 119.7° |
| F28 | C27 | C20 | C18 | 53.7° | 60.5° |
| F28 | C27 | C20 | C22 | 173.1° | 179.5° |
| F28 | C27 | C20 | H24 | 65.9° | 59.6° |
| F28 | C27 | C26 | H27 | 9.0° | 0.2° |
| F28 | C27 | C26 | H28 | 129.0° | 120.1° |
| C5 | C2 | F1 | F4 | 124.4° | 120.0° |
| C2 | C5 | N7 | H17 | 2.4° | 0.1° |
| N17 | C24 | C23 | H8 | 118.8° | 121.3° |
| C24 | N17 | C15 | C18 | 177.5° | 179.9° |
| C24 | N17 | C15 | O16 | 178.0° | 175.4° |
| N17 | C24 | C23 | C22 | 68.8° | 55.7° |
| C24 | N17 | C18 | C20 | 5.1° | 0.3° |
| C24 | N17 | C18 | C30 | 123.6° | 119.6° |
| C24 | N17 | C18 | H5 | 119.8° | 119.1° |
| N17 | C24 | C23 | H6 | 171.4° | 175.8° |
| N17 | C24 | C23 | H7 | 50.9° | 64.3° |
| N17 | C24 | C26 | H27 | 68.4° | 63.4° |
| N17 | C24 | C26 | H28 | 171.6° | 176.7° |
| C23 | C24 | N17 | C15 | 123.0° | 121.5° |
| C23 | C24 | N17 | C18 | 59.3° | 58.5° |
| C24 | C23 | C22 | H6 | 119.7° | 120.1° |
| C24 | C23 | C22 | H7 | 119.7° | 120.0° |
| C24 | C23 | C22 | C20 | 14.0° | 1.4° |
| C24 | C23 | H6 | H7 | 120.8° | 119.8° |
| C24 | C23 | C22 | H25 | 106.0° | 121.5° |
| C24 | C23 | C22 | H26 | 134.1° | 118.8° |
| C23 | C24 | C26 | H27 | 176.0° | 179.8° |
| C23 | C24 | C26 | H28 | 56.0° | 59.9° |
| F29 | C27 | C20 | C18 | 169.9° | 179.9° |
| F29 | C27 | C20 | C22 | 70.7° | 60.9° |
| F29 | C27 | C20 | H24 | 50.2° | 60.0° |
| F29 | C27 | C26 | H27 | 107.9° | 119.5° |
| F29 | C27 | C26 | H28 | 12.2° | 0.4° |
| C27 | C20 | C18 | N17 | 58.1° | 59.6° |
| C27 | C20 | C22 | C23 | 67.9° | 58.6° |
| C27 | C20 | C18 | C22 | 119.9° | 119.0° |
| C27 | C20 | C18 | H24 | 119.7° | 120.1° |
| C27 | C20 | C22 | H24 | 121.0° | 120.6° |
| C27 | C20 | C18 | C30 | 177.1° | 178.9° |
| C27 | C20 | C18 | H5 | 57.0° | 59.8° |
| C27 | C20 | C22 | H25 | 52.2° | 61.5° |
| C27 | C20 | C22 | H26 | 172.1° | 178.8° |
| C20 | C27 | C26 | H27 | 129.5° | 120.4° |
| C20 | C27 | C26 | H28 | 110.5° | 119.8° |
| C15 | N17 | C18 | C20 | 172.7° | 179.8° |
| C15 | N17 | C18 | C30 | 58.7° | 60.5° |
| N17 | C15 | C8 | H1 | 37.8° | 43.1° |
| C15 | N17 | C18 | H5 | 57.9° | 60.8° |
| C15 | N17 | C24 | H8 | 4.6° | 0.2° |
| O16 | C15 | N17 | C18 | 0.6° | 4.5° |
| O16 | C15 | C8 | H1 | 142.4° | 136.9° |
| N17 | C18 | C20 | C30 | 124.8° | 119.3° |
| N17 | C18 | C20 | H5 | 115.1° | 119.4° |
| N17 | C18 | C20 | C22 | 61.8° | 59.4° |
| N17 | C18 | C30 | H5 | 116.8° | 121.3° |
| N17 | C18 | C30 | O31 | 28.2° | 17.2° |
| N17 | C18 | C30 | N32 | 145.0° | 162.8° |
| C18 | N17 | C24 | H8 | 177.8° | 179.9° |
| N17 | C18 | C20 | H24 | 177.8° | 179.7° |
| C23 | C22 | C20 | C18 | 50.7° | 60.3° |
| C23 | C22 | C20 | H25 | 120.1° | 120.2° |
| C23 | C22 | C20 | H26 | 120.0° | 120.1° |
| C22 | C23 | H6 | H7 | 120.8° | 120.0° |
| C22 | C23 | C24 | H8 | 172.3° | 177.0° |
| C23 | C22 | C20 | H24 | 171.1° | 179.2° |
| C23 | C22 | H25 | H26 | 119.8° | 119.7° |
| C18 | C20 | C22 | H24 | 120.4° | 120.5° |
| C20 | C18 | C30 | H5 | 119.9° | 121.4° |
| C20 | C18 | C30 | O31 | 95.1° | 100.1° |
| C20 | C18 | C30 | N32 | 91.7° | 79.9° |
| C18 | C20 | C22 | H25 | 170.8° | 179.6° |
| C18 | C20 | C22 | H26 | 69.3° | 59.8° |
| C22 | C20 | C18 | C30 | 63.0° | 59.9° |
| C22 | C20 | C18 | H5 | 176.9° | 178.8° |
| C20 | C22 | C23 | H6 | 133.8° | 118.7° |
| C20 | C22 | C23 | H7 | 105.7° | 121.3° |
| C20 | C22 | H25 | H26 | 119.9° | 119.8° |
| C18 | C30 | O31 | N32 | 173.0° | 180.0° |
| C18 | C30 | N32 | C33 | 173.4° | 175.0° |
| C30 | C18 | C20 | H24 | 57.4° | 61.0° |
| C18 | C30 | N32 | H29 | 6.7° | 5.0° |
| O31 | C30 | N32 | C33 | 0.2° | 5.0° |
| O31 | C30 | C18 | H5 | 144.9° | 138.5° |
| O31 | C30 | N32 | H29 | 179.8° | 175.0° |
| C30 | N32 | C33 | H29 | 180.0° | 180.0° |
| C30 | N32 | C33 | C37 | 92.7° | 157.8° |
| C30 | N32 | C33 | C35 | 145.6° | 82.2° |
| N32 | C30 | C18 | H5 | 28.2° | 41.5° |
| C30 | N32 | C33 | H9 | 24.0° | 37.8° |
| N32 | C33 | C37 | C35 | 118.1° | 120.0° |
| N32 | C33 | C37 | H9 | 117.4° | 120.0° |
| N32 | C33 | C37 | C38 | 174.5° | 63.9° |
| N32 | C33 | C35 | H9 | 121.9° | 120.0° |
| N32 | C33 | C35 | N36 | 136.1° | 0.0° |
| N32 | C33 | C35 | H10 | 43.9° | 180.0° |
| N32 | C33 | C37 | H12 | 53.6° | 56.1° |
| N32 | C33 | C37 | H13 | 64.6° | 176.1° |
| C42 | C40 | N43 | C44 | 102.0° | 102.0° |
| C42 | C40 | N43 | C39 | 115.9° | 119.1° |
| C42 | C40 | N43 | C41 | 122.2° | 122.0° |
| C42 | C40 | C39 | C41 | 122.3° | 121.9° |
| C42 | C40 | C39 | C38 | 98.4° | 93.7° |
| C42 | C40 | C39 | H15 | 20.9° | 148.2° |
| C42 | C40 | C39 | H16 | 142.3° | 24.4° |
| C42 | C40 | C41 | H33 | 180.0° | 61.9° |
| C42 | C40 | C41 | H34 | 60.0° | 58.1° |
| C42 | C40 | C41 | H35 | 60.0° | 178.1° |
| C40 | C42 | H36 | H37 | 120.0° | 120.1° |
| C40 | C42 | H36 | H38 | 120.0° | 120.0° |
| C40 | C42 | H37 | H38 | 120.0° | 120.1° |
| C42 | C40 | N43 | H39 | 78.0° | 77.9° |
| C33 | C37 | C38 | H12 | 120.9° | 120.0° |
| C33 | C37 | C38 | H13 | 120.9° | 120.0° |
| C37 | C33 | C35 | H9 | 124.2° | 120.0° |
| C33 | C37 | C38 | C44 | 174.5° | 71.6° |
| C33 | C37 | C38 | C39 | 68.7° | 173.6° |
| C37 | C33 | C35 | N36 | 110.0° | 120.0° |
| C37 | C33 | C35 | H10 | 70.0° | 60.0° |
| C33 | C37 | H12 | H13 | 117.1° | 120.0° |
| C33 | C37 | C38 | H14 | 53.7° | 51.1° |
| C37 | C33 | N32 | H29 | 87.3° | 22.2° |
| C38 | C37 | C33 | C35 | 67.4° | 176.2° |
| C37 | C38 | C44 | O45 | 66.7° | 77.4° |
| C37 | C38 | C44 | N43 | 111.9° | 102.4° |
| C37 | C38 | C44 | C39 | 122.6° | 118.7° |
| C37 | C38 | C44 | H14 | 120.5° | 122.6° |
| C37 | C38 | C39 | C40 | 102.0° | 93.8° |
| C37 | C38 | C39 | H14 | 122.4° | 122.5° |
| C38 | C37 | C33 | H9 | 57.0° | 56.1° |
| C38 | C37 | H12 | H13 | 117.2° | 120.0° |
| C37 | C38 | C39 | H15 | 17.3° | 148.0° |
| C37 | C38 | C39 | H16 | 138.7° | 24.3° |
| C33 | C35 | N36 | H10 | 180.0° | 180.0° |
| C35 | C33 | C37 | H12 | 171.7° | 63.9° |
| C35 | C33 | C37 | H13 | 53.5° | 56.1° |
| C35 | C33 | N32 | H29 | 34.4° | 97.8° |
| C33 | C35 | N36 | H30 | 180.0° | 180.0° |
| O45 | C44 | N43 | C38 | 178.5° | 179.9° |
| O45 | C44 | N43 | C40 | 176.4° | 179.5° |
| O45 | C44 | C38 | C39 | 170.7° | 163.8° |
| O45 | C44 | C38 | H14 | 53.9° | 45.1° |
| O45 | C44 | N43 | H39 | 3.6° | 0.5° |
| C44 | N43 | C40 | H39 | 180.0° | 180.0° |
| C44 | N43 | C40 | C39 | 13.9° | 17.0° |
| C44 | N43 | C40 | C41 | 135.9° | 136.0° |
| N43 | C44 | C38 | C39 | 10.8° | 16.3° |
| N43 | C44 | C38 | H14 | 127.6° | 135.0° |
| C40 | N43 | C44 | C38 | 2.1° | 0.4° |
| N43 | C40 | C39 | C41 | 119.7° | 119.0° |
| N43 | C40 | C39 | C38 | 19.6° | 25.5° |
| N43 | C40 | C39 | H15 | 138.9° | 92.7° |
| N43 | C40 | C39 | H16 | 99.7° | 143.6° |
| N43 | C40 | C41 | H33 | 57.2° | 176.0° |
| N43 | C40 | C41 | H34 | 177.3° | 64.0° |
| N43 | C40 | C41 | H35 | 62.8° | 56.0° |
| N43 | C40 | C42 | H36 | 180.0° | 56.1° |
| N43 | C40 | C42 | H37 | 60.0° | 63.9° |
| N43 | C40 | C42 | H38 | 60.0° | 176.1° |
| C44 | C38 | C39 | C40 | 18.5° | 24.9° |
| C44 | C38 | C39 | H14 | 117.1° | 118.8° |
| C44 | C38 | C37 | H12 | 64.6° | 168.5° |
| C44 | C38 | C37 | H13 | 53.6° | 48.5° |
| C44 | C38 | C39 | H15 | 137.8° | 93.3° |
| C44 | C38 | C39 | H16 | 100.8° | 143.0° |
| C38 | C44 | N43 | H39 | 177.9° | 179.6° |
| C40 | C39 | C38 | H15 | 119.3° | 118.1° |
| C40 | C39 | C38 | H16 | 119.3° | 118.1° |
| C40 | C39 | C38 | H14 | 135.6° | 143.6° |
| C40 | C39 | H15 | H16 | 122.0° | 123.8° |
| C39 | C40 | C41 | H33 | 58.8° | 60.0° |
| C39 | C40 | C41 | H34 | 61.2° | 180.0° |
| C39 | C40 | C41 | H35 | 178.8° | 60.0° |
| C39 | C40 | C42 | H36 | 66.7° | 60.0° |
| C39 | C40 | C42 | H37 | 53.3° | 180.0° |
| C39 | C40 | C42 | H38 | 173.3° | 60.0° |
| C39 | C40 | N43 | H39 | 166.1° | 163.0° |
| C41 | C40 | C39 | C38 | 139.3° | 144.4° |
| C41 | C40 | C39 | H15 | 101.4° | 26.3° |
| C41 | C40 | C39 | H16 | 20.0° | 97.5° |
| C40 | C41 | H33 | H34 | 120.0° | 120.0° |
| C40 | C41 | H33 | H35 | 120.0° | 120.0° |
| C40 | C41 | H34 | H35 | 120.0° | 120.0° |
| C41 | C40 | C42 | H36 | 57.8° | 178.1° |
| C41 | C40 | C42 | H37 | 177.8° | 58.1° |
| C41 | C40 | C42 | H38 | 62.3° | 62.0° |
| C41 | C40 | N43 | H39 | 44.2° | 44.0° |
| C39 | C38 | C37 | H12 | 52.2° | 53.6° |
| C39 | C38 | C37 | H13 | 170.4° | 66.4° |
| C38 | C39 | H15 | H16 | 122.1° | 123.8° |
| N36 | C35 | C33 | H9 | 14.2° | 120.0° |
| H1 | C8 | N7 | H17 | 172.7° | 0.0° |
| H1 | C8 | C10 | H18 | 171.8° | 63.4° |
| H1 | C8 | C10 | H19 | 69.0° | 176.7° |
| H2 | C11 | C12 | H3 | 136.2° | 25.3° |
| H2 | C11 | C12 | H4 | 9.8° | 156.2° |
| H2 | C11 | C10 | H18 | 167.6° | 77.4° |
| H2 | C11 | C10 | H19 | 73.2° | 162.6° |
| H2 | C11 | C14 | H22 | 9.6° | 156.3° |
| H2 | C11 | C14 | H23 | 136.4° | 25.3° |
| H3 | C12 | C13 | H20 | 133.0° | 25.5° |
| H3 | C12 | C13 | H21 | 5.9° | 105.5° |
| H4 | C12 | C13 | H20 | 6.6° | 156.3° |
| H4 | C12 | C13 | H21 | 120.5° | 25.4° |
| H5 | C18 | C20 | H24 | 62.7° | 60.3° |
| H6 | C23 | C24 | H8 | 52.6° | 63.0° |
| H6 | C23 | C22 | H25 | 13.7° | 1.4° |
| H6 | C23 | C22 | H26 | 106.2° | 121.1° |
| H7 | C23 | C24 | H8 | 67.9° | 57.0° |
| H7 | C23 | C22 | H25 | 134.2° | 118.5° |
| H7 | C23 | C22 | H26 | 14.3° | 1.2° |
| H8 | C24 | C26 | H27 | 52.9° | 58.0° |
| H8 | C24 | C26 | H28 | 67.1° | 62.0° |
| H9 | C33 | C35 | H10 | 165.8° | 60.0° |
| H9 | C33 | C37 | H12 | 63.9° | 176.1° |
| H9 | C33 | C37 | H13 | 177.9° | 63.9° |
| H9 | C33 | N32 | H29 | 156.0° | 142.2° |
| H10 | C35 | N36 | H30 | 0.0° | 0.0° |
| H12 | C37 | C38 | H14 | 174.6° | 68.9° |
| H13 | C37 | C38 | H14 | 67.2° | 171.1° |
| H14 | C38 | C39 | H15 | 105.1° | 25.5° |
| H14 | C38 | C39 | H16 | 16.3° | 98.3° |
| H20 | C13 | C14 | H22 | 6.5° | 156.3° |
| H20 | C13 | C14 | H23 | 133.2° | 25.4° |
| H21 | C13 | C14 | H22 | 120.7° | 25.4° |
| H21 | C13 | C14 | H23 | 6.1° | 105.5° |
| H24 | C20 | C22 | H25 | 68.8° | 59.0° |
| H24 | C20 | C22 | H26 | 51.1° | 60.7° |
| H33 | C41 | H34 | H35 | 120.0° | 119.9° |
| H36 | C42 | H37 | H38 | 120.0° | 119.9° |
