A1ESV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.42Å | 1.47Å | |
| C1 | C6 | doub | 1.36Å | 1.36Å | |
| C1 | C23 | sing | 1.51Å | 1.55Å | |
| C2 | C3 | sing | 1.42Å | 1.49Å | |
| C2 | C7 | doub | 1.40Å | 1.31Å | |
| C3 | C4 | doub | 1.36Å | 1.36Å | |
| C3 | C10 | sing | 1.51Å | 1.55Å | |
| C4 | C5 | sing | 1.41Å | 1.48Å | |
| C5 | C6 | sing | 1.41Å | 1.45Å | |
| C5 | O1 | doub | 1.22Å | 1.19Å | |
| C6 | O2 | sing | 1.36Å | 1.41Å | |
| C7 | C8 | sing | 1.40Å | 1.53Å | |
| C8 | C9 | doub | 1.34Å | 1.37Å | |
| C9 | C10 | sing | 1.50Å | 1.57Å | |
| C9 | C11 | sing | 1.51Å | 1.58Å | |
| C10 | C14 | sing | 1.52Å | 1.52Å | |
| C10 | C25 | sing | 1.54Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C15 | sing | 1.53Å | 1.47Å | |
| C11 | C24 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | C18 | sing | 1.52Å | 1.62Å | |
| C12 | C26 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.52Å | 1.56Å | |
| C14 | BR1 | sing | 1.97Å | 1.95Å | |
| C15 | C16 | sing | 1.52Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C27 | sing | 1.55Å | 1.54Å | |
| C18 | C22 | sing | 1.51Å | 1.48Å | |
| C19 | C20 | sing | 1.52Å | 1.60Å | |
| C20 | C21 | sing | 1.52Å | 1.58Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C28 | sing | 1.55Å | 1.50Å | |
| C21 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | C29 | sing | 1.35Å | 1.50Å | |
| C29 | N2 | sing | 1.35Å | 1.48Å | |
| C29 | O3 | doub | 1.22Å | 1.19Å | |
| N2 | C30 | sing | 1.46Å | 1.44Å | |
| C30 | C31 | sing | 1.51Å | 1.56Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | O4 | sing | 1.34Å | 1.43Å | |
| C31 | O5 | doub | 1.21Å | 1.19Å | |
| O4 | C33 | sing | 1.45Å | 1.45Å | |
| N1 | H37 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.10Å | |
| C13 | H6 | sing | 1.11Å | 1.10Å | |
| C15 | H7 | sing | 1.10Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.10Å | |
| C20 | H14 | sing | 1.11Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.11Å | 1.10Å | |
| C22 | H17 | sing | 1.10Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.10Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.10Å | 1.10Å | |
| C18 | H11 | sing | 1.13Å | 1.10Å | |
| C19 | H12 | sing | 1.10Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| N2 | H38 | sing | 0.97Å | 1.00Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.1° |
| C2 | C1 | C23 | 121.2° | 121.1° |
| C1 | C2 | C3 | 120.2° | 120.1° |
| C1 | C2 | C7 | 119.5° | 120.3° |
| C6 | C1 | C23 | 119.0° | 118.8° |
| C1 | C6 | C5 | 120.4° | 119.8° |
| C1 | C6 | O2 | 118.5° | 119.9° |
| C1 | C23 | H19 | 109.5° | 109.5° |
| C1 | C23 | H20 | 109.5° | 109.5° |
| C1 | C23 | H21 | 109.4° | 109.4° |
| C3 | C2 | C7 | 120.3° | 119.7° |
| C2 | C3 | C4 | 119.0° | 119.3° |
| C2 | C3 | C10 | 120.2° | 121.3° |
| C2 | C7 | C8 | 117.7° | 119.9° |
| C2 | C7 | H3 | 121.1° | 121.8° |
| C4 | C3 | C10 | 120.7° | 119.3° |
| C3 | C4 | C5 | 120.1° | 120.6° |
| C3 | C4 | H2 | 120.0° | 120.8° |
| C3 | C10 | C9 | 107.8° | 111.4° |
| C3 | C10 | C14 | 112.1° | 110.2° |
| C3 | C10 | C25 | 106.5° | 104.8° |
| C4 | C5 | C6 | 120.5° | 120.0° |
| C4 | C5 | O1 | 119.7° | 119.8° |
| C5 | C4 | H2 | 120.0° | 118.6° |
| C6 | C5 | O1 | 119.9° | 120.2° |
| C5 | C6 | O2 | 121.1° | 120.2° |
| C6 | O2 | H18 | 109.5° | 114.0° |
| C7 | C8 | C9 | 120.0° | 122.8° |
| C8 | C7 | H3 | 121.1° | 118.3° |
| C7 | C8 | H4 | 120.0° | 117.9° |
| C8 | C9 | C10 | 120.8° | 122.2° |
| C8 | C9 | C11 | 117.7° | 117.6° |
| C9 | C8 | H4 | 120.0° | 119.3° |
| C10 | C9 | C11 | 121.0° | 120.1° |
| C9 | C10 | C14 | 111.4° | 113.6° |
| C9 | C10 | C25 | 110.6° | 108.5° |
| C9 | C11 | C12 | 107.5° | 106.3° |
| C9 | C11 | C15 | 112.2° | 110.1° |
| C9 | C11 | C24 | 109.7° | 110.5° |
| C14 | C10 | C25 | 108.4° | 108.0° |
| C10 | C14 | C13 | 112.2° | 115.1° |
| C10 | C14 | BR1 | 112.7° | 109.2° |
| C10 | C14 | H1 | 110.6° | 108.6° |
| C10 | C25 | H25 | 109.5° | 109.5° |
| C10 | C25 | H26 | 109.4° | 109.5° |
| C10 | C25 | H27 | 109.5° | 109.5° |
| C12 | C11 | C15 | 106.7° | 109.4° |
| C12 | C11 | C24 | 111.3° | 111.6° |
| C11 | C12 | C13 | 107.4° | 107.8° |
| C11 | C12 | C18 | 110.0° | 111.1° |
| C11 | C12 | C26 | 109.0° | 108.7° |
| C15 | C11 | C24 | 109.4° | 109.0° |
| C11 | C15 | C16 | 110.5° | 109.8° |
| C11 | C15 | H7 | 109.2° | 108.6° |
| C11 | C15 | H8 | 109.2° | 111.2° |
| C11 | C24 | H22 | 109.5° | 109.4° |
| C11 | C24 | H23 | 109.5° | 109.5° |
| C11 | C24 | H24 | 109.4° | 109.5° |
| C13 | C12 | C18 | 110.4° | 110.3° |
| C13 | C12 | C26 | 108.4° | 107.7° |
| C12 | C13 | C14 | 113.5° | 112.6° |
| C12 | C13 | H5 | 108.5° | 110.7° |
| C12 | C13 | H6 | 108.4° | 107.8° |
| C18 | C12 | C26 | 111.6° | 111.1° |
| C12 | C18 | C17 | 114.5° | 116.1° |
| C12 | C18 | C22 | 110.5° | 112.6° |
| C12 | C18 | H11 | 105.8° | 104.6° |
| C12 | C26 | H28 | 109.5° | 109.5° |
| C12 | C26 | H29 | 109.5° | 109.5° |
| C12 | C26 | H30 | 109.5° | 109.5° |
| C13 | C14 | BR1 | 105.2° | 108.0° |
| C14 | C13 | H5 | 108.4° | 111.4° |
| C14 | C13 | H6 | 108.4° | 107.7° |
| C13 | C14 | H1 | 110.0° | 108.5° |
| BR1 | C14 | H1 | 105.8° | 107.3° |
| C15 | C16 | C17 | 117.9° | 112.7° |
| C16 | C15 | H7 | 109.2° | 108.5° |
| C16 | C15 | H8 | 109.2° | 110.4° |
| C15 | C16 | H10 | 107.3° | 110.8° |
| C15 | C16 | H9 | 107.3° | 108.5° |
| C16 | C17 | C18 | 113.2° | 113.7° |
| C16 | C17 | C19 | 108.6° | 109.5° |
| C16 | C17 | C27 | 108.3° | 106.1° |
| C17 | C16 | H10 | 107.3° | 109.7° |
| C17 | C16 | H9 | 107.3° | 108.1° |
| C18 | C17 | C19 | 111.6° | 111.6° |
| C18 | C17 | C27 | 107.7° | 107.7° |
| C17 | C18 | C22 | 111.8° | 113.4° |
| C17 | C18 | H11 | 106.3° | 104.6° |
| C19 | C17 | C27 | 107.2° | 107.9° |
| C17 | C19 | C20 | 109.5° | 110.7° |
| C17 | C19 | H12 | 109.5° | 108.3° |
| C17 | C19 | H13 | 109.5° | 111.0° |
| C17 | C27 | H31 | 109.5° | 109.5° |
| C17 | C27 | H32 | 109.5° | 109.4° |
| C17 | C27 | H33 | 109.5° | 109.5° |
| C18 | C22 | C21 | 131.0° | 118.8° |
| C18 | C22 | H16 | 103.8° | 107.6° |
| C18 | C22 | H17 | 103.8° | 109.3° |
| C22 | C18 | H11 | 107.3° | 103.8° |
| C19 | C20 | C21 | 107.7° | 113.3° |
| C19 | C20 | H14 | 109.9° | 108.2° |
| C19 | C20 | H15 | 109.9° | 111.1° |
| C20 | C19 | H12 | 109.5° | 108.6° |
| C20 | C19 | H13 | 109.5° | 110.7° |
| C20 | C21 | C22 | 108.1° | 115.7° |
| C20 | C21 | C28 | 110.1° | 107.0° |
| C20 | C21 | N1 | 105.7° | 109.4° |
| C21 | C20 | H14 | 109.9° | 108.1° |
| C21 | C20 | H15 | 109.9° | 109.9° |
| C22 | C21 | C28 | 111.9° | 107.2° |
| C22 | C21 | N1 | 109.3° | 110.7° |
| C21 | C22 | H16 | 103.9° | 107.8° |
| C21 | C22 | H17 | 103.9° | 108.2° |
| C28 | C21 | N1 | 111.5° | 106.2° |
| C21 | C28 | H34 | 109.5° | 109.5° |
| C21 | C28 | H35 | 109.4° | 109.5° |
| C21 | C28 | H36 | 109.4° | 109.5° |
| C21 | N1 | C29 | 125.4° | 120.0° |
| C21 | N1 | H37 | 117.4° | 120.0° |
| N1 | C29 | N2 | 116.0° | 120.0° |
| N1 | C29 | O3 | 123.1° | 120.0° |
| C29 | N1 | H37 | 117.3° | 120.0° |
| N2 | C29 | O3 | 120.9° | 120.0° |
| C29 | N2 | C30 | 122.1° | 120.0° |
| C29 | N2 | H38 | 118.9° | 120.0° |
| N2 | C30 | C31 | 100.6° | 109.5° |
| N2 | C30 | C32 | 111.3° | 109.5° |
| N2 | C30 | H39 | 112.9° | 109.4° |
| C30 | N2 | H38 | 119.0° | 120.0° |
| C31 | C30 | C32 | 108.9° | 109.5° |
| C30 | C31 | O4 | 122.8° | 120.0° |
| C30 | C31 | O5 | 118.9° | 120.0° |
| C31 | C30 | H39 | 111.0° | 109.5° |
| C32 | C30 | H39 | 111.6° | 109.5° |
| C30 | C32 | H40 | 109.5° | 109.5° |
| C30 | C32 | H41 | 109.5° | 109.5° |
| C30 | C32 | H42 | 109.5° | 109.5° |
| O4 | C31 | O5 | 118.3° | 120.0° |
| C31 | O4 | C33 | 114.8° | 117.0° |
| O4 | C33 | H43 | 109.5° | 109.5° |
| O4 | C33 | H44 | 109.5° | 109.4° |
| O4 | C33 | H45 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 106.4° |
| H7 | C15 | H8 | 109.5° | 108.2° |
| H14 | C20 | H15 | 109.5° | 106.0° |
| H16 | C22 | H17 | 109.5° | 104.2° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.4° |
| H28 | C26 | H30 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.5° |
| H34 | C28 | H36 | 109.5° | 109.4° |
| H35 | C28 | H36 | 109.5° | 109.5° |
| H10 | C16 | H9 | 109.5° | 106.7° |
| H12 | C19 | H13 | 109.5° | 107.4° |
| H19 | C23 | H20 | 109.4° | 109.5° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.4° | 109.4° |
| H31 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.5° | 109.4° |
| H40 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| H43 | C33 | H44 | 109.5° | 109.5° |
| H43 | C33 | H45 | 109.4° | 109.5° |
| H44 | C33 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C23 | 180.0° | 179.7° |
| C1 | C2 | C3 | C7 | 179.3° | 179.5° |
| C1 | C2 | C3 | C4 | 0.6° | 5.8° |
| C1 | C2 | C3 | C10 | 179.5° | 171.2° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | C6 | O2 | 179.7° | 179.6° |
| C1 | C2 | C7 | C8 | 151.5° | 175.4° |
| C1 | C2 | C7 | H3 | 28.5° | 4.0° |
| C2 | C1 | C23 | H19 | 180.0° | 90.0° |
| C2 | C1 | C23 | H20 | 60.0° | 150.0° |
| C2 | C1 | C23 | H21 | 60.0° | 30.1° |
| C6 | C1 | C2 | C3 | 0.4° | 4.2° |
| C6 | C1 | C2 | C7 | 179.7° | 176.3° |
| C1 | C6 | C5 | C4 | 0.0° | 2.3° |
| C1 | C6 | C5 | O2 | 179.8° | 179.8° |
| C1 | C6 | C5 | O1 | 179.9° | 178.1° |
| C6 | C1 | C23 | H19 | 0.0° | 89.8° |
| C6 | C1 | C23 | H20 | 120.0° | 30.3° |
| C6 | C1 | C23 | H21 | 120.0° | 150.2° |
| C1 | C6 | O2 | H18 | 179.8° | 179.9° |
| C23 | C1 | C2 | C3 | 179.6° | 175.5° |
| C23 | C1 | C2 | C7 | 0.3° | 4.0° |
| C23 | C1 | C6 | C5 | 179.9° | 179.5° |
| C23 | C1 | C6 | O2 | 0.3° | 0.6° |
| C1 | C23 | H19 | H20 | 120.0° | 120.1° |
| C1 | C23 | H19 | H21 | 120.0° | 120.0° |
| C1 | C23 | H20 | H21 | 120.0° | 119.9° |
| C2 | C3 | C4 | C10 | 178.8° | 177.0° |
| C2 | C3 | C4 | C5 | 0.5° | 3.3° |
| C3 | C2 | C7 | C8 | 27.9° | 5.1° |
| C2 | C3 | C10 | C9 | 28.6° | 17.8° |
| C2 | C3 | C10 | C14 | 151.5° | 144.7° |
| C2 | C3 | C10 | C25 | 90.1° | 99.3° |
| C2 | C3 | C4 | H2 | 179.4° | 176.6° |
| C3 | C2 | C7 | H3 | 152.1° | 175.5° |
| C7 | C2 | C3 | C4 | 180.0° | 174.7° |
| C7 | C2 | C3 | C10 | 1.2° | 8.3° |
| C2 | C7 | C8 | H3 | 180.0° | 179.4° |
| C2 | C7 | C8 | C9 | 27.3° | 7.4° |
| C2 | C7 | C8 | H4 | 152.7° | 172.6° |
| C3 | C4 | C5 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.7° |
| C3 | C4 | C5 | O1 | 179.9° | 179.7° |
| C4 | C3 | C10 | C9 | 152.6° | 165.3° |
| C4 | C3 | C10 | C14 | 29.7° | 38.3° |
| C4 | C3 | C10 | C25 | 88.7° | 77.6° |
| C10 | C3 | C4 | C5 | 179.4° | 173.7° |
| C3 | C10 | C9 | C8 | 29.2° | 15.8° |
| C3 | C10 | C9 | C14 | 123.3° | 125.1° |
| C3 | C10 | C9 | C25 | 116.1° | 114.8° |
| C3 | C10 | C9 | C11 | 158.7° | 161.5° |
| C3 | C10 | C14 | C25 | 117.3° | 113.9° |
| C3 | C10 | C14 | C13 | 158.9° | 156.7° |
| C3 | C10 | C14 | BR1 | 82.6° | 81.8° |
| C10 | C3 | C4 | H2 | 0.6° | 6.3° |
| C3 | C10 | C14 | H1 | 35.7° | 34.9° |
| C3 | C10 | C25 | H25 | 180.0° | 49.8° |
| C3 | C10 | C25 | H26 | 60.0° | 70.3° |
| C3 | C10 | C25 | H27 | 60.0° | 169.7° |
| C4 | C5 | C6 | O1 | 179.9° | 179.6° |
| C4 | C5 | C6 | O2 | 179.8° | 177.9° |
| C6 | C5 | C4 | H2 | 179.7° | 179.4° |
| C5 | C6 | O2 | H18 | 0.1° | 0.1° |
| O1 | C5 | C6 | O2 | 0.1° | 1.7° |
| O1 | C5 | C4 | H2 | 0.2° | 0.2° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 4.2° | 4.2° |
| C7 | C8 | C9 | C11 | 176.6° | 173.2° |
| C8 | C9 | C10 | C11 | 172.1° | 177.3° |
| C8 | C9 | C10 | C14 | 152.5° | 141.0° |
| C8 | C9 | C10 | C25 | 86.9° | 99.0° |
| C8 | C9 | C11 | C12 | 142.9° | 124.9° |
| C8 | C9 | C11 | C15 | 25.8° | 6.6° |
| C8 | C9 | C11 | C24 | 96.0° | 113.9° |
| C9 | C8 | C7 | H3 | 152.7° | 173.2° |
| C9 | C10 | C14 | C25 | 121.9° | 120.4° |
| C10 | C9 | C11 | C12 | 44.8° | 52.6° |
| C10 | C9 | C11 | C15 | 161.8° | 170.9° |
| C10 | C9 | C11 | C24 | 76.4° | 68.7° |
| C9 | C10 | C14 | C13 | 38.0° | 30.9° |
| C9 | C10 | C14 | BR1 | 156.6° | 152.4° |
| C10 | C9 | C8 | H4 | 175.8° | 175.8° |
| C9 | C10 | C14 | H1 | 85.2° | 90.9° |
| C9 | C10 | C25 | H25 | 63.2° | 168.8° |
| C9 | C10 | C25 | H26 | 176.9° | 48.8° |
| C9 | C10 | C25 | H27 | 56.9° | 71.2° |
| C11 | C9 | C10 | C14 | 35.4° | 36.3° |
| C11 | C9 | C10 | C25 | 85.2° | 83.7° |
| C9 | C11 | C12 | C15 | 120.6° | 118.8° |
| C9 | C11 | C12 | C24 | 120.1° | 120.5° |
| C9 | C11 | C15 | C24 | 122.0° | 121.4° |
| C9 | C11 | C12 | C13 | 57.4° | 62.8° |
| C9 | C11 | C12 | C18 | 177.6° | 176.2° |
| C9 | C11 | C12 | C26 | 59.8° | 53.6° |
| C9 | C11 | C15 | C16 | 173.6° | 178.9° |
| C11 | C9 | C8 | H4 | 3.4° | 6.8° |
| C9 | C11 | C15 | H7 | 53.5° | 62.5° |
| C9 | C11 | C15 | H8 | 66.3° | 56.5° |
| C9 | C11 | C24 | H22 | 180.0° | 63.9° |
| C9 | C11 | C24 | H23 | 60.0° | 56.1° |
| C9 | C11 | C24 | H24 | 60.0° | 176.2° |
| C10 | C14 | C13 | C12 | 58.5° | 46.2° |
| C10 | C14 | C13 | BR1 | 122.9° | 122.2° |
| C10 | C14 | C13 | H1 | 123.6° | 121.8° |
| C10 | C14 | BR1 | H1 | 121.0° | 117.5° |
| C10 | C14 | C13 | H5 | 62.1° | 78.8° |
| C10 | C14 | C13 | H6 | 179.1° | 164.9° |
| C14 | C10 | C25 | H25 | 59.2° | 67.7° |
| C14 | C10 | C25 | H26 | 60.8° | 172.3° |
| C14 | C10 | C25 | H27 | 179.3° | 52.3° |
| C25 | C10 | C14 | C13 | 83.8° | 89.5° |
| C25 | C10 | C14 | BR1 | 34.7° | 32.1° |
| C25 | C10 | C14 | H1 | 153.0° | 148.7° |
| C10 | C25 | H25 | H26 | 120.0° | 120.0° |
| C10 | C25 | H25 | H27 | 120.0° | 120.0° |
| C10 | C25 | H26 | H27 | 120.0° | 120.0° |
| C12 | C11 | C15 | C24 | 120.5° | 122.3° |
| C11 | C12 | C13 | C18 | 119.9° | 121.5° |
| C11 | C12 | C13 | C26 | 117.6° | 117.1° |
| C11 | C12 | C18 | C26 | 121.0° | 121.2° |
| C11 | C12 | C13 | C14 | 68.3° | 63.1° |
| C12 | C11 | C15 | C16 | 68.9° | 62.6° |
| C11 | C12 | C18 | C17 | 43.0° | 47.4° |
| C11 | C12 | C18 | C22 | 170.4° | 179.4° |
| C11 | C12 | C13 | H5 | 52.3° | 62.3° |
| C11 | C12 | C13 | H6 | 171.1° | 178.3° |
| C12 | C11 | C15 | H7 | 171.0° | 178.9° |
| C12 | C11 | C15 | H8 | 51.3° | 59.9° |
| C12 | C11 | C24 | H22 | 61.1° | 54.1° |
| C12 | C11 | C24 | H23 | 58.9° | 174.1° |
| C12 | C11 | C24 | H24 | 178.9° | 65.9° |
| C11 | C12 | C26 | H28 | 180.0° | 60.3° |
| C11 | C12 | C26 | H29 | 60.0° | 179.7° |
| C11 | C12 | C26 | H30 | 60.0° | 59.7° |
| C11 | C12 | C18 | H11 | 73.8° | 67.3° |
| C15 | C11 | C12 | C13 | 178.0° | 178.4° |
| C15 | C11 | C12 | C18 | 61.8° | 57.4° |
| C15 | C11 | C12 | C26 | 60.8° | 65.2° |
| C11 | C15 | C16 | H7 | 120.1° | 118.6° |
| C11 | C15 | C16 | H8 | 120.2° | 123.0° |
| C11 | C15 | C16 | C17 | 57.4° | 56.6° |
| C11 | C15 | H7 | H8 | 119.6° | 120.9° |
| C15 | C11 | C24 | H22 | 56.5° | 175.0° |
| C15 | C11 | C24 | H23 | 176.5° | 65.0° |
| C15 | C11 | C24 | H24 | 63.5° | 55.1° |
| C11 | C15 | C16 | H10 | 63.8° | 66.8° |
| C11 | C15 | C16 | H9 | 178.6° | 176.3° |
| C24 | C11 | C12 | C13 | 62.7° | 57.7° |
| C24 | C11 | C12 | C18 | 57.5° | 63.3° |
| C24 | C11 | C12 | C26 | 179.9° | 174.1° |
| C24 | C11 | C15 | C16 | 51.6° | 59.7° |
| C24 | C11 | C15 | H7 | 68.5° | 58.9° |
| C24 | C11 | C15 | H8 | 171.8° | 177.8° |
| C11 | C24 | H22 | H23 | 120.0° | 120.0° |
| C11 | C24 | H22 | H24 | 120.0° | 119.9° |
| C11 | C24 | H23 | H24 | 120.0° | 120.0° |
| C13 | C12 | C18 | C26 | 120.6° | 119.3° |
| C12 | C13 | C14 | H5 | 120.6° | 125.0° |
| C12 | C13 | C14 | H6 | 120.6° | 118.7° |
| C12 | C13 | C14 | BR1 | 178.6° | 168.4° |
| C13 | C12 | C18 | C17 | 161.4° | 166.9° |
| C13 | C12 | C18 | C22 | 71.2° | 59.9° |
| C12 | C13 | H5 | H6 | 118.2° | 116.8° |
| C13 | C12 | C26 | H28 | 63.4° | 56.2° |
| C13 | C12 | C26 | H29 | 176.6° | 63.8° |
| C13 | C12 | C26 | H30 | 56.6° | 176.2° |
| C12 | C13 | C14 | H1 | 65.1° | 75.6° |
| C13 | C12 | C18 | H11 | 44.6° | 52.2° |
| C18 | C12 | C13 | C14 | 171.7° | 175.4° |
| C12 | C18 | C17 | C16 | 28.9° | 41.1° |
| C12 | C18 | C17 | C22 | 126.7° | 132.8° |
| C12 | C18 | C17 | H11 | 116.4° | 114.7° |
| C12 | C18 | C17 | C19 | 94.0° | 83.3° |
| C12 | C18 | C17 | C27 | 148.6° | 158.4° |
| C12 | C18 | C22 | H11 | 114.9° | 112.6° |
| C12 | C18 | C22 | C21 | 114.1° | 99.9° |
| C18 | C12 | C13 | H5 | 67.7° | 59.1° |
| C18 | C12 | C13 | H6 | 51.1° | 56.9° |
| C12 | C18 | C22 | H16 | 8.6° | 137.5° |
| C12 | C18 | C22 | H17 | 123.1° | 24.9° |
| C18 | C12 | C26 | H28 | 58.4° | 177.2° |
| C18 | C12 | C26 | H29 | 61.6° | 57.2° |
| C18 | C12 | C26 | H30 | 178.4° | 62.9° |
| C26 | C12 | C13 | C14 | 49.3° | 54.0° |
| C26 | C12 | C18 | C17 | 78.0° | 73.8° |
| C26 | C12 | C18 | C22 | 49.4° | 59.4° |
| C26 | C12 | C13 | H5 | 169.9° | 179.5° |
| C26 | C12 | C13 | H6 | 71.3° | 64.6° |
| C12 | C26 | H28 | H29 | 120.0° | 120.0° |
| C12 | C26 | H28 | H30 | 120.0° | 120.1° |
| C12 | C26 | H29 | H30 | 120.0° | 120.1° |
| C26 | C12 | C18 | H11 | 165.2° | 171.5° |
| C13 | C14 | BR1 | H1 | 116.5° | 116.7° |
| C14 | C13 | H5 | H6 | 118.1° | 117.1° |
| BR1 | C14 | C13 | H5 | 60.7° | 43.4° |
| BR1 | C14 | C13 | H6 | 58.1° | 72.9° |
| C15 | C16 | C17 | H10 | 121.2° | 124.0° |
| C15 | C16 | C17 | H9 | 121.2° | 119.9° |
| C15 | C16 | C17 | C18 | 35.8° | 45.2° |
| C15 | C16 | C17 | C19 | 88.7° | 80.3° |
| C15 | C16 | C17 | C27 | 155.2° | 163.4° |
| C16 | C15 | H7 | H8 | 119.5° | 119.8° |
| C15 | C16 | H10 | H9 | 116.2° | 117.9° |
| C16 | C17 | C18 | C19 | 122.9° | 124.4° |
| C16 | C17 | C18 | C27 | 119.7° | 117.3° |
| C16 | C17 | C19 | C27 | 116.8° | 115.1° |
| C16 | C17 | C18 | C22 | 155.7° | 174.0° |
| C16 | C17 | C19 | C20 | 172.5° | 173.0° |
| C17 | C16 | C15 | H7 | 177.5° | 175.2° |
| C17 | C16 | C15 | H8 | 62.7° | 66.4° |
| C17 | C16 | H10 | H9 | 116.2° | 116.9° |
| C16 | C17 | C18 | H11 | 87.5° | 73.6° |
| C16 | C17 | C19 | H12 | 52.5° | 53.9° |
| C16 | C17 | C19 | H13 | 67.5° | 63.7° |
| C16 | C17 | C27 | H31 | 180.0° | 62.0° |
| C16 | C17 | C27 | H32 | 60.0° | 57.9° |
| C16 | C17 | C27 | H33 | 60.0° | 178.0° |
| C18 | C17 | C19 | C27 | 117.7° | 118.2° |
| C17 | C18 | C22 | H11 | 116.3° | 112.9° |
| C18 | C17 | C19 | C20 | 62.0° | 60.3° |
| C17 | C18 | C22 | C21 | 14.8° | 34.6° |
| C17 | C18 | C22 | H16 | 137.5° | 88.1° |
| C17 | C18 | C22 | H17 | 108.0° | 159.4° |
| C18 | C17 | C16 | H10 | 85.4° | 78.8° |
| C18 | C17 | C16 | H9 | 157.1° | 165.1° |
| C18 | C17 | C19 | H12 | 178.0° | 179.3° |
| C18 | C17 | C19 | H13 | 58.0° | 63.0° |
| C18 | C17 | C27 | H31 | 57.2° | 60.1° |
| C18 | C17 | C27 | H32 | 62.7° | 180.0° |
| C18 | C17 | C27 | H33 | 177.3° | 60.0° |
| C19 | C17 | C18 | C22 | 32.7° | 49.5° |
| C17 | C19 | C20 | H12 | 120.0° | 118.9° |
| C17 | C19 | C20 | H13 | 120.0° | 123.5° |
| C17 | C19 | C20 | C21 | 69.7° | 54.6° |
| C17 | C19 | C20 | H14 | 50.0° | 174.4° |
| C17 | C19 | C20 | H15 | 170.6° | 69.7° |
| C19 | C17 | C16 | H10 | 150.0° | 155.7° |
| C19 | C17 | C16 | H9 | 32.5° | 39.6° |
| C19 | C17 | C18 | H11 | 149.6° | 162.0° |
| C17 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | C17 | C27 | H31 | 63.0° | 179.3° |
| C19 | C17 | C27 | H32 | 177.0° | 59.4° |
| C19 | C17 | C27 | H33 | 57.0° | 60.6° |
| C27 | C17 | C18 | C22 | 84.6° | 68.8° |
| C27 | C17 | C19 | C20 | 55.7° | 57.9° |
| C27 | C17 | C16 | H10 | 34.0° | 39.4° |
| C27 | C17 | C16 | H9 | 83.6° | 76.7° |
| C27 | C17 | C18 | H11 | 32.2° | 43.7° |
| C27 | C17 | C19 | H12 | 64.3° | 61.2° |
| C27 | C17 | C19 | H13 | 175.7° | 178.8° |
| C17 | C27 | H31 | H32 | 120.0° | 119.9° |
| C17 | C27 | H31 | H33 | 120.0° | 120.0° |
| C17 | C27 | H32 | H33 | 120.0° | 120.0° |
| C18 | C22 | C21 | C20 | 22.6° | 29.3° |
| C18 | C22 | C21 | H16 | 122.8° | 122.6° |
| C18 | C22 | C21 | H17 | 122.8° | 125.3° |
| C18 | C22 | C21 | C28 | 144.0° | 148.7° |
| C18 | C22 | C21 | N1 | 92.0° | 95.9° |
| C18 | C22 | H16 | H17 | 110.4° | 116.0° |
| C19 | C20 | C21 | H14 | 119.7° | 119.8° |
| C19 | C20 | C21 | H15 | 119.7° | 124.9° |
| C19 | C20 | C21 | C22 | 45.9° | 39.0° |
| C19 | C20 | C21 | C28 | 168.4° | 158.4° |
| C19 | C20 | C21 | N1 | 71.0° | 86.9° |
| C19 | C20 | H14 | H15 | 120.8° | 119.2° |
| C20 | C19 | H12 | H13 | 120.0° | 119.7° |
| C20 | C21 | C22 | C28 | 121.4° | 119.3° |
| C20 | C21 | C22 | N1 | 114.6° | 125.2° |
| C20 | C21 | C28 | N1 | 117.1° | 116.8° |
| C20 | C21 | N1 | C29 | 170.4° | 174.6° |
| C20 | C21 | N1 | H37 | 9.6° | 5.2° |
| C21 | C20 | H14 | H15 | 120.8° | 117.8° |
| C20 | C21 | C22 | H16 | 145.3° | 93.2° |
| C20 | C21 | C22 | H17 | 100.2° | 154.6° |
| C20 | C21 | C28 | H34 | 180.0° | 60.0° |
| C20 | C21 | C28 | H35 | 60.0° | 180.0° |
| C20 | C21 | C28 | H36 | 60.0° | 59.9° |
| C21 | C20 | C19 | H12 | 170.3° | 173.4° |
| C21 | C20 | C19 | H13 | 50.3° | 68.9° |
| C22 | C21 | C28 | N1 | 122.8° | 118.4° |
| C22 | C21 | N1 | C29 | 54.3° | 56.7° |
| C22 | C21 | N1 | H37 | 125.7° | 123.5° |
| C22 | C21 | C20 | H14 | 73.8° | 158.8° |
| C22 | C21 | C20 | H15 | 165.6° | 86.0° |
| C21 | C22 | H16 | H17 | 110.4° | 114.8° |
| C22 | C21 | C28 | H34 | 59.8° | 175.2° |
| C22 | C21 | C28 | H35 | 60.2° | 55.2° |
| C22 | C21 | C28 | H36 | 179.8° | 64.9° |
| C21 | C22 | C18 | H11 | 131.0° | 147.5° |
| C28 | C21 | N1 | C29 | 69.9° | 59.4° |
| C28 | C21 | N1 | H37 | 110.1° | 120.4° |
| C28 | C21 | C20 | H14 | 48.6° | 81.8° |
| C28 | C21 | C20 | H15 | 71.9° | 33.5° |
| C28 | C21 | C22 | H16 | 93.3° | 26.1° |
| C28 | C21 | C22 | H17 | 21.2° | 86.0° |
| C21 | C28 | H34 | H35 | 120.0° | 120.0° |
| C21 | C28 | H34 | H36 | 120.0° | 120.0° |
| C21 | C28 | H35 | H36 | 120.0° | 120.0° |
| C21 | N1 | C29 | H37 | 180.0° | 179.8° |
| C21 | N1 | C29 | N2 | 179.2° | 179.7° |
| C21 | N1 | C29 | O3 | 0.1° | 0.2° |
| N1 | C21 | C20 | H14 | 169.2° | 32.9° |
| N1 | C21 | C20 | H15 | 48.7° | 148.1° |
| N1 | C21 | C22 | H16 | 30.7° | 141.5° |
| N1 | C21 | C22 | H17 | 145.2° | 29.4° |
| N1 | C21 | C28 | H34 | 62.9° | 56.8° |
| N1 | C21 | C28 | H35 | 177.1° | 63.2° |
| N1 | C21 | C28 | H36 | 57.1° | 176.7° |
| N1 | C29 | N2 | O3 | 179.2° | 179.9° |
| N1 | C29 | N2 | C30 | 176.7° | 179.9° |
| N1 | C29 | N2 | H38 | 3.3° | 0.0° |
| C29 | N2 | C30 | H38 | 180.0° | 180.0° |
| C29 | N2 | C30 | C31 | 99.2° | 155.0° |
| C29 | N2 | C30 | C32 | 145.5° | 85.0° |
| N2 | C29 | N1 | H37 | 0.8° | 0.1° |
| C29 | N2 | C30 | H39 | 19.1° | 35.0° |
| O3 | C29 | N2 | C30 | 4.1° | 0.0° |
| O3 | C29 | N1 | H37 | 179.9° | 180.0° |
| O3 | C29 | N2 | H38 | 175.9° | 180.0° |
| N2 | C30 | C31 | C32 | 117.1° | 120.1° |
| N2 | C30 | C31 | H39 | 119.7° | 119.9° |
| N2 | C30 | C32 | H39 | 127.1° | 120.0° |
| N2 | C30 | C31 | O4 | 139.7° | 180.0° |
| N2 | C30 | C31 | O5 | 39.4° | 0.1° |
| N2 | C30 | C32 | H40 | 180.0° | 60.0° |
| N2 | C30 | C32 | H41 | 60.0° | 180.0° |
| N2 | C30 | C32 | H42 | 60.0° | 60.0° |
| C31 | C30 | C32 | H39 | 122.9° | 120.0° |
| C30 | C31 | O4 | O5 | 179.1° | 180.0° |
| C30 | C31 | O4 | C33 | 171.2° | 180.0° |
| C31 | C30 | C32 | H40 | 69.9° | 60.0° |
| C31 | C30 | C32 | H41 | 170.0° | 59.9° |
| C31 | C30 | C32 | H42 | 50.1° | 180.0° |
| C31 | C30 | N2 | H38 | 80.8° | 25.0° |
| C32 | C30 | C31 | O4 | 103.2° | 60.0° |
| C32 | C30 | C31 | O5 | 77.7° | 120.0° |
| C30 | C32 | H40 | H41 | 120.0° | 120.0° |
| C30 | C32 | H40 | H42 | 120.0° | 120.0° |
| C30 | C32 | H41 | H42 | 120.0° | 120.0° |
| C32 | C30 | N2 | H38 | 34.5° | 95.0° |
| O4 | C31 | C30 | H39 | 20.0° | 60.0° |
| C31 | O4 | C33 | H43 | 180.0° | 60.0° |
| C31 | O4 | C33 | H44 | 60.0° | 60.0° |
| C31 | O4 | C33 | H45 | 60.0° | 180.0° |
| O5 | C31 | O4 | C33 | 9.7° | 0.0° |
| O5 | C31 | C30 | H39 | 159.1° | 120.0° |
| O4 | C33 | H43 | H44 | 120.0° | 120.0° |
| O4 | C33 | H43 | H45 | 120.0° | 120.0° |
| O4 | C33 | H44 | H45 | 120.0° | 120.0° |
| H3 | C7 | C8 | H4 | 27.3° | 6.8° |
| H5 | C13 | C14 | H1 | 174.3° | 159.3° |
| H6 | C13 | C14 | H1 | 55.5° | 43.0° |
| H7 | C15 | C16 | H10 | 56.3° | 51.8° |
| H7 | C15 | C16 | H9 | 61.2° | 65.1° |
| H8 | C15 | C16 | H10 | 176.0° | 170.2° |
| H8 | C15 | C16 | H9 | 58.5° | 53.3° |
| H14 | C20 | C19 | H12 | 70.0° | 66.7° |
| H14 | C20 | C19 | H13 | 170.1° | 50.9° |
| H15 | C20 | C19 | H12 | 50.6° | 49.2° |
| H15 | C20 | C19 | H13 | 69.4° | 166.8° |
| H16 | C22 | C18 | H11 | 106.2° | 24.9° |
| H17 | C22 | C18 | H11 | 8.2° | 87.7° |
| H22 | C24 | H23 | H24 | 120.0° | 120.0° |
| H28 | C26 | H29 | H30 | 120.0° | 119.9° |
| H34 | C28 | H35 | H36 | 120.0° | 120.0° |
| H19 | C23 | H20 | H21 | 120.0° | 120.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H31 | C27 | H32 | H33 | 120.0° | 120.1° |
| H39 | C30 | C32 | H40 | 52.9° | 180.0° |
| H39 | C30 | C32 | H41 | 67.1° | 60.1° |
| H39 | C30 | C32 | H42 | 172.9° | 60.0° |
| H39 | C30 | N2 | H38 | 160.9° | 145.0° |
| H40 | C32 | H41 | H42 | 120.0° | 120.0° |
| H43 | C33 | H44 | H45 | 120.0° | 120.1° |
