8SE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C27 | sing | 1.55Å | 1.54Å | |
| C24 | C9 | sing | 1.54Å | 1.52Å | |
| C48 | C27 | sing | 1.48Å | 1.41Å | |
| C48 | C47 | doub | 1.26Å | 1.40Å | |
| C27 | N3 | sing | 1.46Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C47 | C34 | sing | 1.47Å | 1.42Å | |
| O2 | C1 | doub | 1.21Å | 1.26Å | |
| N3 | C10 | sing | 1.48Å | 1.46Å | |
| N3 | C31 | sing | 1.33Å | 1.32Å | |
| O7 | C25 | doub | 1.21Å | 1.24Å | |
| C10 | C20 | sing | 1.51Å | 1.42Å | |
| C35 | C34 | sing | 1.52Å | 1.52Å | |
| C35 | C31 | sing | 1.46Å | 1.40Å | |
| C35 | N5 | sing | 1.46Å | 1.48Å | |
| C34 | C29 | sing | 1.54Å | 1.49Å | |
| C29 | C30 | sing | 1.55Å | 1.51Å | |
| C31 | O3 | doub | 1.21Å | 1.24Å | |
| O5 | C32 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.42Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| O6 | C20 | doub | 1.21Å | 1.23Å | |
| C20 | N2 | sing | 1.35Å | 1.33Å | |
| O4 | C11 | doub | 1.21Å | 1.23Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C2 | N1 | sing | 1.48Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C32 | N4 | sing | 1.35Å | 1.33Å | |
| N5 | C11 | sing | 1.35Å | 1.33Å | |
| N5 | C30 | sing | 1.48Å | 1.48Å | |
| C25 | N1 | sing | 1.33Å | 1.33Å | |
| C25 | C21 | sing | 1.46Å | 1.41Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| N2 | C22 | sing | 1.48Å | 1.50Å | |
| N2 | C21 | sing | 1.46Å | 1.49Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| N1 | C5 | sing | 1.46Å | 1.50Å | |
| N4 | C12 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C21 | C8 | sing | 1.52Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C8 | C23 | sing | 1.54Å | 1.51Å | |
| C8 | C7 | sing | 1.47Å | 1.41Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.48Å | 1.42Å | |
| C7 | C6 | doub | 1.26Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.41Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| CL | C15 | sing | 1.74Å | 1.70Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H2A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H94 | sing | 1.09Å | 1.10Å | |
| C22 | H95 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H5A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H93 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C24 | C9 | 99.0° | 103.7° |
| C24 | C27 | C48 | 111.4° | 108.2° |
| C24 | C27 | N3 | 102.1° | 105.3° |
| C27 | C24 | H24 | 112.0° | 110.5° |
| C27 | C24 | H5A | 112.0° | 110.6° |
| C24 | C27 | H27 | 108.6° | 109.0° |
| C24 | C9 | C10 | 100.7° | 105.1° |
| C24 | C9 | H91 | 111.6° | 110.3° |
| C24 | C9 | H92 | 111.6° | 110.4° |
| C9 | C24 | H24 | 112.0° | 110.6° |
| C9 | C24 | H5A | 112.0° | 110.6° |
| C27 | C48 | C47 | 129.4° | 133.3° |
| C48 | C27 | N3 | 114.7° | 116.5° |
| C48 | C27 | H27 | 110.5° | 108.5° |
| C27 | C48 | H48 | 115.3° | 113.3° |
| C48 | C47 | C34 | 129.0° | 130.3° |
| C48 | C47 | H47 | 115.5° | 114.9° |
| C47 | C48 | H48 | 115.3° | 113.4° |
| C27 | N3 | C10 | 110.2° | 107.4° |
| C27 | N3 | C31 | 124.0° | 129.4° |
| N3 | C27 | H27 | 109.1° | 109.1° |
| C9 | C10 | N3 | 100.5° | 108.0° |
| C9 | C10 | C20 | 112.7° | 109.8° |
| C10 | C9 | H91 | 111.6° | 110.3° |
| C10 | C9 | H92 | 111.6° | 110.3° |
| C9 | C10 | H10 | 111.0° | 109.8° |
| C47 | C34 | C35 | 110.1° | 113.4° |
| C47 | C34 | C29 | 113.0° | 114.9° |
| C47 | C34 | H38 | 111.2° | 108.4° |
| C34 | C47 | H47 | 115.5° | 114.8° |
| O2 | C1 | C2 | 116.1° | 120.0° |
| O2 | C1 | O1 | 123.9° | 120.0° |
| C10 | N3 | C31 | 125.8° | 123.1° |
| N3 | C10 | C20 | 106.9° | 109.8° |
| N3 | C10 | H10 | 112.2° | 109.7° |
| N3 | C31 | C35 | 123.6° | 127.8° |
| N3 | C31 | O3 | 114.5° | 116.1° |
| O7 | C25 | N1 | 116.2° | 116.1° |
| O7 | C25 | C21 | 120.3° | 116.0° |
| C10 | C20 | O6 | 120.0° | 120.1° |
| C10 | C20 | N2 | 117.8° | 120.0° |
| C20 | C10 | H10 | 112.9° | 109.7° |
| C34 | C35 | C31 | 105.2° | 114.6° |
| C34 | C35 | N5 | 101.7° | 105.7° |
| C35 | C34 | C29 | 102.1° | 101.8° |
| C34 | C35 | H49 | 109.9° | 106.1° |
| C35 | C34 | H38 | 109.8° | 109.0° |
| C31 | C35 | N5 | 117.0° | 117.4° |
| C35 | C31 | O3 | 121.6° | 116.1° |
| C31 | C35 | H49 | 111.7° | 106.6° |
| C35 | N5 | C11 | 118.9° | 126.3° |
| C35 | N5 | C30 | 107.6° | 107.5° |
| N5 | C35 | H49 | 110.5° | 105.6° |
| C34 | C29 | C30 | 96.3° | 102.3° |
| C34 | C29 | H29 | 112.7° | 110.8° |
| C34 | C29 | H37 | 112.7° | 111.0° |
| C29 | C34 | H38 | 110.2° | 109.0° |
| C29 | C30 | N5 | 101.2° | 107.2° |
| C30 | C29 | H29 | 112.6° | 110.8° |
| C30 | C29 | H37 | 112.7° | 110.9° |
| C29 | C30 | H36 | 111.5° | 109.9° |
| C29 | C30 | H30 | 111.5° | 109.9° |
| O5 | C32 | C33 | 121.7° | 120.0° |
| O5 | C32 | N4 | 124.1° | 120.0° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C1 | C2 | N1 | 115.0° | 109.8° |
| C1 | C2 | C3 | 113.4° | 109.8° |
| C1 | C2 | H22 | 110.5° | 109.7° |
| C1 | O1 | H1 | 109.5° | 117.1° |
| O6 | C20 | N2 | 122.1° | 120.0° |
| C20 | N2 | C22 | 131.3° | 126.2° |
| C20 | N2 | C21 | 122.3° | 126.2° |
| O4 | C11 | N5 | 120.0° | 120.0° |
| O4 | C11 | C12 | 121.4° | 120.0° |
| C33 | C32 | N4 | 114.2° | 120.0° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| N1 | C2 | C3 | 99.2° | 108.0° |
| C2 | N1 | C25 | 130.0° | 123.1° |
| C2 | N1 | C5 | 108.8° | 107.4° |
| N1 | C2 | H22 | 109.4° | 109.7° |
| C2 | C3 | C4 | 100.7° | 105.1° |
| C3 | C2 | H22 | 108.8° | 109.8° |
| C2 | C3 | H31 | 111.6° | 110.4° |
| C2 | C3 | H32 | 111.6° | 110.3° |
| C32 | N4 | C12 | 122.2° | 120.0° |
| C32 | N4 | H43 | 118.9° | 120.1° |
| C11 | N5 | C30 | 133.0° | 126.2° |
| N5 | C11 | C12 | 118.3° | 120.1° |
| N5 | C30 | H36 | 111.5° | 109.9° |
| N5 | C30 | H30 | 111.5° | 109.9° |
| N1 | C25 | C21 | 123.2° | 127.9° |
| C25 | N1 | C5 | 120.9° | 129.3° |
| C25 | C21 | N2 | 114.3° | 117.4° |
| C25 | C21 | C8 | 105.4° | 114.5° |
| C25 | C21 | H21 | 111.8° | 105.9° |
| C11 | C12 | N4 | 105.1° | 109.5° |
| C11 | C12 | C13 | 107.9° | 109.4° |
| C11 | C12 | H12 | 111.2° | 109.5° |
| C22 | N2 | C21 | 106.3° | 107.6° |
| N2 | C22 | C23 | 100.7° | 107.1° |
| N2 | C22 | H94 | 111.6° | 109.9° |
| N2 | C22 | H95 | 111.6° | 109.8° |
| N2 | C21 | C8 | 104.3° | 105.8° |
| N2 | C21 | H21 | 110.6° | 106.2° |
| C22 | C23 | C8 | 97.7° | 102.3° |
| C23 | C22 | H94 | 111.6° | 109.9° |
| C23 | C22 | H95 | 111.6° | 110.0° |
| C22 | C23 | H93 | 112.3° | 110.8° |
| C22 | C23 | H23 | 112.3° | 110.9° |
| N1 | C5 | C4 | 103.6° | 105.3° |
| N1 | C5 | C6 | 113.2° | 116.5° |
| N1 | C5 | H5 | 109.1° | 108.5° |
| N4 | C12 | C13 | 109.4° | 109.5° |
| C12 | N4 | H43 | 118.9° | 120.0° |
| N4 | C12 | H12 | 112.1° | 109.5° |
| C3 | C4 | C5 | 99.6° | 103.7° |
| C3 | C4 | H41 | 111.9° | 110.6° |
| C3 | C4 | H42 | 111.9° | 110.7° |
| C4 | C3 | H31 | 111.6° | 110.3° |
| C4 | C3 | H32 | 111.6° | 110.3° |
| C21 | C8 | C23 | 99.6° | 101.8° |
| C21 | C8 | C7 | 110.8° | 113.4° |
| C21 | C8 | H8 | 109.4° | 108.3° |
| C8 | C21 | H21 | 110.1° | 106.1° |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| C12 | C13 | H2A | 108.4° | 109.5° |
| C13 | C12 | H12 | 111.0° | 109.4° |
| C23 | C8 | C7 | 115.7° | 114.9° |
| C23 | C8 | H8 | 109.6° | 109.1° |
| C8 | C23 | H93 | 112.3° | 110.8° |
| C8 | C23 | H23 | 112.3° | 110.9° |
| C8 | C7 | C6 | 128.4° | 130.4° |
| C8 | C7 | H7 | 115.8° | 114.8° |
| C7 | C8 | H8 | 111.0° | 109.1° |
| C4 | C5 | C6 | 111.6° | 108.0° |
| C5 | C4 | H41 | 111.9° | 110.6° |
| C5 | C4 | H42 | 111.9° | 110.6° |
| C4 | C5 | H5 | 108.8° | 109.1° |
| C5 | C6 | C7 | 129.5° | 133.3° |
| C6 | C5 | H5 | 110.3° | 109.2° |
| C5 | C6 | H6 | 115.2° | 113.3° |
| C6 | C7 | H7 | 115.8° | 114.8° |
| C7 | C6 | H6 | 115.3° | 113.4° |
| C13 | C14 | C16 | 118.9° | 120.0° |
| C13 | C14 | C15 | 123.0° | 120.0° |
| C14 | C13 | H13 | 108.4° | 109.5° |
| C14 | C13 | H2A | 108.4° | 109.5° |
| C16 | C14 | C15 | 118.0° | 120.0° |
| C14 | C16 | C17 | 121.0° | 120.0° |
| C14 | C16 | H16 | 119.5° | 120.0° |
| C14 | C15 | CL | 122.1° | 120.1° |
| C14 | C15 | C19 | 121.0° | 119.9° |
| CL | C15 | C19 | 117.0° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.1° |
| C17 | C16 | H16 | 119.5° | 120.0° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C15 | C19 | C18 | 120.2° | 120.0° |
| C15 | C19 | H19 | 119.9° | 120.0° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.1° |
| H41 | C4 | H42 | 109.5° | 110.6° |
| H31 | C3 | H32 | 109.5° | 110.3° |
| H91 | C9 | H92 | 109.5° | 110.3° |
| H13 | C13 | H2A | 109.5° | 109.5° |
| H94 | C22 | H95 | 109.5° | 110.1° |
| H24 | C24 | H5A | 109.5° | 110.7° |
| H93 | C23 | H23 | 109.5° | 110.9° |
| H29 | C29 | H37 | 109.5° | 110.8° |
| H36 | C30 | H30 | 109.5° | 110.0° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H33 | C33 | H34 | 109.4° | 109.5° |
| H35 | C33 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C24 | C9 | H24 | 118.2° | 118.5° |
| C27 | C24 | C9 | H5A | 118.2° | 118.5° |
| C24 | C27 | C48 | N3 | 115.3° | 118.3° |
| C24 | C27 | C48 | H27 | 120.8° | 118.1° |
| C24 | C27 | C48 | C47 | 137.5° | 117.9° |
| C24 | C27 | N3 | H27 | 114.8° | 116.9° |
| C27 | C24 | C9 | C10 | 51.6° | 20.7° |
| C24 | C27 | N3 | C10 | 10.2° | 31.1° |
| C24 | C27 | N3 | C31 | 171.4° | 154.1° |
| C27 | C24 | C9 | H91 | 67.0° | 139.6° |
| C27 | C24 | C9 | H92 | 170.1° | 98.3° |
| C27 | C24 | H24 | H5A | 124.9° | 122.9° |
| C24 | C27 | C48 | H48 | 42.5° | 61.9° |
| C9 | C24 | C27 | C48 | 160.6° | 157.2° |
| C9 | C24 | C27 | N3 | 37.7° | 32.0° |
| C24 | C9 | C10 | H91 | 118.6° | 118.9° |
| C24 | C9 | C10 | H92 | 118.6° | 119.0° |
| C24 | C9 | C10 | N3 | 45.3° | 2.7° |
| C24 | C9 | C10 | C20 | 68.1° | 116.9° |
| C24 | C9 | H91 | H92 | 124.1° | 122.2° |
| C24 | C9 | C10 | H10 | 164.2° | 122.3° |
| C9 | C24 | H24 | H5A | 124.9° | 122.9° |
| C9 | C24 | C27 | H27 | 77.5° | 85.0° |
| C27 | C48 | C47 | H48 | 180.0° | 179.8° |
| C48 | C27 | N3 | H27 | 124.6° | 123.2° |
| C27 | C48 | C47 | C34 | 1.5° | 3.1° |
| C48 | C27 | N3 | C10 | 130.8° | 150.9° |
| C48 | C27 | N3 | C31 | 50.8° | 34.2° |
| C48 | C27 | C24 | H24 | 81.2° | 38.7° |
| C48 | C27 | C24 | H5A | 42.4° | 84.2° |
| C27 | C48 | C47 | H47 | 178.5° | 177.0° |
| C47 | C48 | C27 | N3 | 22.1° | 0.5° |
| C48 | C47 | C34 | H47 | 180.0° | 179.9° |
| C48 | C47 | C34 | C35 | 31.8° | 39.5° |
| C48 | C47 | C34 | C29 | 145.3° | 156.1° |
| C47 | C48 | C27 | H27 | 101.7° | 124.0° |
| C48 | C47 | C34 | H38 | 90.1° | 81.7° |
| C27 | N3 | C10 | C9 | 21.3° | 17.8° |
| C27 | N3 | C10 | C31 | 178.3° | 175.3° |
| C27 | N3 | C10 | C20 | 96.4° | 137.5° |
| C27 | N3 | C31 | C35 | 5.4° | 22.3° |
| C27 | N3 | C31 | O3 | 180.0° | 157.7° |
| C27 | N3 | C10 | H10 | 139.3° | 101.8° |
| N3 | C27 | C24 | H24 | 156.0° | 86.5° |
| N3 | C27 | C24 | H5A | 80.5° | 150.5° |
| N3 | C27 | C48 | H48 | 157.9° | 179.8° |
| C9 | C10 | N3 | C20 | 117.8° | 119.7° |
| C9 | C10 | N3 | H10 | 118.0° | 119.6° |
| C9 | C10 | N3 | C31 | 157.0° | 166.9° |
| C9 | C10 | C20 | H10 | 126.7° | 120.7° |
| C9 | C10 | C20 | O6 | 96.6° | 118.6° |
| C9 | C10 | C20 | N2 | 85.0° | 61.4° |
| C10 | C9 | H91 | H92 | 124.1° | 122.1° |
| C10 | C9 | C24 | H24 | 169.8° | 97.8° |
| C10 | C9 | C24 | H5A | 66.7° | 139.2° |
| C47 | C34 | C35 | C29 | 120.3° | 124.0° |
| C47 | C34 | C35 | H38 | 122.8° | 120.9° |
| C47 | C34 | C35 | C31 | 81.6° | 66.3° |
| C47 | C34 | C35 | N5 | 155.9° | 162.8° |
| C47 | C34 | C29 | H38 | 125.2° | 121.9° |
| C47 | C34 | C29 | C30 | 171.4° | 158.9° |
| C47 | C34 | C29 | H29 | 70.8° | 40.7° |
| C47 | C34 | C29 | H37 | 53.6° | 82.9° |
| C47 | C34 | C35 | H49 | 38.8° | 51.0° |
| C34 | C47 | C48 | H48 | 178.5° | 177.1° |
| O2 | C1 | C2 | O1 | 176.7° | 179.9° |
| O2 | C1 | C2 | N1 | 139.1° | 0.0° |
| O2 | C1 | C2 | C3 | 107.7° | 118.6° |
| O2 | C1 | C2 | H22 | 14.7° | 120.7° |
| O2 | C1 | O1 | H1 | 0.0° | 0.1° |
| N3 | C10 | C20 | H10 | 123.8° | 120.6° |
| C10 | N3 | C31 | C35 | 176.5° | 163.6° |
| C10 | N3 | C31 | O3 | 1.9° | 16.5° |
| N3 | C10 | C20 | O6 | 12.9° | 0.0° |
| N3 | C10 | C20 | N2 | 165.6° | 180.0° |
| N3 | C10 | C9 | H91 | 73.3° | 121.6° |
| N3 | C10 | C9 | H92 | 163.9° | 116.3° |
| C10 | N3 | C27 | H27 | 104.6° | 85.9° |
| C31 | N3 | C10 | C20 | 85.2° | 47.2° |
| N3 | C31 | C35 | C34 | 71.1° | 37.3° |
| N3 | C31 | C35 | O3 | 174.2° | 180.0° |
| N3 | C31 | C35 | N5 | 176.9° | 162.3° |
| C31 | N3 | C10 | H10 | 39.0° | 73.4° |
| C31 | N3 | C27 | H27 | 73.8° | 89.0° |
| N3 | C31 | C35 | H49 | 48.1° | 79.7° |
| O7 | C25 | N1 | C2 | 6.5° | 16.7° |
| O7 | C25 | N1 | C21 | 174.5° | 180.0° |
| O7 | C25 | C21 | N2 | 13.0° | 17.7° |
| O7 | C25 | N1 | C5 | 179.9° | 157.5° |
| O7 | C25 | C21 | C8 | 100.9° | 142.8° |
| O7 | C25 | C21 | H21 | 139.5° | 100.7° |
| C10 | C20 | O6 | N2 | 178.4° | 180.0° |
| C10 | C20 | N2 | C22 | 5.0° | 7.4° |
| C10 | C20 | N2 | C21 | 178.4° | 172.6° |
| C20 | C10 | C9 | H91 | 173.3° | 1.9° |
| C20 | C10 | C9 | H92 | 50.4° | 124.0° |
| C34 | C35 | C31 | N5 | 112.0° | 125.0° |
| C34 | C35 | C31 | H49 | 119.2° | 117.0° |
| C34 | C35 | N5 | H49 | 116.7° | 112.2° |
| C35 | C34 | C29 | H38 | 116.6° | 115.1° |
| C35 | C34 | C29 | C30 | 53.2° | 35.8° |
| C34 | C35 | C31 | O3 | 103.1° | 142.7° |
| C34 | C35 | N5 | C11 | 175.8° | 154.3° |
| C34 | C35 | N5 | C30 | 3.0° | 25.8° |
| C35 | C34 | C29 | H29 | 171.0° | 82.3° |
| C35 | C34 | C29 | H37 | 64.6° | 154.1° |
| C35 | C34 | C47 | H47 | 148.2° | 140.4° |
| C31 | C35 | N5 | H49 | 129.4° | 118.5° |
| C31 | C35 | C34 | C29 | 158.1° | 169.6° |
| C31 | C35 | N5 | C11 | 70.2° | 25.0° |
| C31 | C35 | N5 | C30 | 116.9° | 155.0° |
| C31 | C35 | C34 | H38 | 41.1° | 54.6° |
| N5 | C35 | C34 | C29 | 35.6° | 38.8° |
| C35 | N5 | C30 | C29 | 30.0° | 2.2° |
| N5 | C35 | C31 | O3 | 8.9° | 17.7° |
| C35 | N5 | C11 | O4 | 5.2° | 1.1° |
| C35 | N5 | C11 | C30 | 170.6° | 180.0° |
| C35 | N5 | C11 | C12 | 179.3° | 178.9° |
| C35 | N5 | C30 | H36 | 88.7° | 117.2° |
| C35 | N5 | C30 | H30 | 148.6° | 121.6° |
| N5 | C35 | C34 | H38 | 81.3° | 76.3° |
| C34 | C29 | C30 | H29 | 117.8° | 118.2° |
| C34 | C29 | C30 | H37 | 117.8° | 118.4° |
| C34 | C29 | C30 | N5 | 50.5° | 21.5° |
| C34 | C29 | H29 | H37 | 126.2° | 123.7° |
| C34 | C29 | C30 | H36 | 68.1° | 140.9° |
| C34 | C29 | C30 | H30 | 169.1° | 97.8° |
| C29 | C34 | C35 | H49 | 81.5° | 73.1° |
| C29 | C34 | C47 | H47 | 34.8° | 23.8° |
| C29 | C30 | N5 | C11 | 141.4° | 177.8° |
| C29 | C30 | N5 | H36 | 118.6° | 119.4° |
| C29 | C30 | N5 | H30 | 118.6° | 119.4° |
| C30 | C29 | H29 | H37 | 126.2° | 123.5° |
| C29 | C30 | H36 | H30 | 123.9° | 121.2° |
| C30 | C29 | C34 | H38 | 63.4° | 79.2° |
| O3 | C31 | C35 | H49 | 137.6° | 100.3° |
| O5 | C32 | C33 | N4 | 177.9° | 180.0° |
| O5 | C32 | N4 | C12 | 3.4° | 0.0° |
| O5 | C32 | N4 | H43 | 176.6° | 180.0° |
| O5 | C32 | C33 | H33 | 0.0° | 0.0° |
| O5 | C32 | C33 | H35 | 120.0° | 120.0° |
| O5 | C32 | C33 | H34 | 120.0° | 120.1° |
| C1 | C2 | N1 | C3 | 121.3° | 119.7° |
| C1 | C2 | N1 | H22 | 125.0° | 120.7° |
| C1 | C2 | C3 | H22 | 123.3° | 120.7° |
| C1 | C2 | N1 | C25 | 89.2° | 47.2° |
| C1 | C2 | N1 | C5 | 96.8° | 137.5° |
| C1 | C2 | C3 | C4 | 75.4° | 117.0° |
| C1 | C2 | C3 | H31 | 43.1° | 1.9° |
| C1 | C2 | C3 | H32 | 166.0° | 124.1° |
| C2 | C1 | O1 | H1 | 176.4° | 180.0° |
| O1 | C1 | C2 | N1 | 44.2° | 180.0° |
| O1 | C1 | C2 | C3 | 69.0° | 61.4° |
| O1 | C1 | C2 | H22 | 168.6° | 59.4° |
| O6 | C20 | N2 | C22 | 173.4° | 172.6° |
| O6 | C20 | N2 | C21 | 3.2° | 7.4° |
| O6 | C20 | C10 | H10 | 136.7° | 120.7° |
| C20 | N2 | C21 | C25 | 62.6° | 25.0° |
| C20 | N2 | C22 | C21 | 177.0° | 180.0° |
| C20 | N2 | C22 | C23 | 149.3° | 177.8° |
| C20 | N2 | C21 | C8 | 177.2° | 154.2° |
| N2 | C20 | C10 | H10 | 41.8° | 59.3° |
| C20 | N2 | C21 | H21 | 64.5° | 93.3° |
| C20 | N2 | C22 | H94 | 30.8° | 62.9° |
| C20 | N2 | C22 | H95 | 92.1° | 58.4° |
| O4 | C11 | N5 | C12 | 174.1° | 179.9° |
| O4 | C11 | N5 | C30 | 175.9° | 178.9° |
| O4 | C11 | C12 | N4 | 25.8° | 20.0° |
| O4 | C11 | C12 | C13 | 90.8° | 100.0° |
| O4 | C11 | C12 | H12 | 147.4° | 140.0° |
| C33 | C32 | N4 | C12 | 178.8° | 180.0° |
| C33 | C32 | N4 | H43 | 1.3° | 0.0° |
| C32 | C33 | H33 | H35 | 120.0° | 120.0° |
| C32 | C33 | H33 | H34 | 120.0° | 120.0° |
| C32 | C33 | H35 | H34 | 120.0° | 120.0° |
| N1 | C2 | C3 | H22 | 114.2° | 119.6° |
| C2 | N1 | C25 | C5 | 173.4° | 174.1° |
| C2 | N1 | C25 | C21 | 179.1° | 163.4° |
| N1 | C2 | C3 | C4 | 47.0° | 2.7° |
| C2 | N1 | C5 | C4 | 6.9° | 31.0° |
| C2 | N1 | C5 | C6 | 127.9° | 150.7° |
| C2 | N1 | C5 | H5 | 108.9° | 85.7° |
| N1 | C2 | C3 | H31 | 165.6° | 121.6° |
| N1 | C2 | C3 | H32 | 71.5° | 116.2° |
| C3 | C2 | N1 | C25 | 149.6° | 166.9° |
| C3 | C2 | N1 | C5 | 24.5° | 17.9° |
| C2 | C3 | C4 | H31 | 118.6° | 118.9° |
| C2 | C3 | C4 | H32 | 118.5° | 118.9° |
| C2 | C3 | C4 | C5 | 51.9° | 20.6° |
| C2 | C3 | C4 | H41 | 66.4° | 139.1° |
| C2 | C3 | C4 | H42 | 170.3° | 98.0° |
| C2 | C3 | H31 | H32 | 124.1° | 122.2° |
| C32 | N4 | C12 | C11 | 87.1° | 60.0° |
| C32 | N4 | C12 | H43 | 180.0° | 180.0° |
| C32 | N4 | C12 | C13 | 157.3° | 60.0° |
| C32 | N4 | C12 | H12 | 33.8° | 180.0° |
| N4 | C32 | C33 | H33 | 177.9° | 180.0° |
| N4 | C32 | C33 | H35 | 62.1° | 60.0° |
| N4 | C32 | C33 | H34 | 57.9° | 60.0° |
| N5 | C11 | C12 | N4 | 160.2° | 160.0° |
| N5 | C11 | C12 | C13 | 83.2° | 80.0° |
| N5 | C11 | C12 | H12 | 38.7° | 39.9° |
| C11 | N5 | C30 | H36 | 100.0° | 62.8° |
| C11 | N5 | C30 | H30 | 22.8° | 58.4° |
| C11 | N5 | C35 | H49 | 59.1° | 93.5° |
| C30 | N5 | C11 | C12 | 10.1° | 1.1° |
| N5 | C30 | C29 | H29 | 168.2° | 96.7° |
| N5 | C30 | C29 | H37 | 67.3° | 139.9° |
| N5 | C30 | H36 | H30 | 123.9° | 121.1° |
| C30 | N5 | C35 | H49 | 113.7° | 86.5° |
| N1 | C25 | C21 | N2 | 172.8° | 162.3° |
| N1 | C25 | C21 | C8 | 73.4° | 37.3° |
| C25 | N1 | C5 | C4 | 178.5° | 154.1° |
| C25 | N1 | C5 | C6 | 57.4° | 34.4° |
| C25 | N1 | C2 | H22 | 35.8° | 73.5° |
| C25 | N1 | C5 | H5 | 65.8° | 89.2° |
| N1 | C25 | C21 | H21 | 46.2° | 79.3° |
| C25 | C21 | N2 | C22 | 120.0° | 155.0° |
| C25 | C21 | N2 | C8 | 114.5° | 129.3° |
| C25 | C21 | N2 | H21 | 127.2° | 118.2° |
| C21 | C25 | N1 | C5 | 5.6° | 22.5° |
| C25 | C21 | C8 | H21 | 120.7° | 116.5° |
| C25 | C21 | C8 | C23 | 157.9° | 169.7° |
| C25 | C21 | C8 | C7 | 79.8° | 66.4° |
| C25 | C21 | C8 | H8 | 43.0° | 54.8° |
| C11 | C12 | N4 | C13 | 115.6° | 120.0° |
| C11 | C12 | N4 | H12 | 120.9° | 120.0° |
| C11 | C12 | C13 | H12 | 122.0° | 119.9° |
| C11 | C12 | C13 | C14 | 177.1° | 175.0° |
| C11 | C12 | N4 | H43 | 92.9° | 120.0° |
| C11 | C12 | C13 | H13 | 62.3° | 55.0° |
| C11 | C12 | C13 | H2A | 56.4° | 65.0° |
| N2 | C22 | C23 | H94 | 118.6° | 119.3° |
| N2 | C22 | C23 | H95 | 118.5° | 119.3° |
| C22 | N2 | C21 | C8 | 5.5° | 25.8° |
| N2 | C22 | C23 | C8 | 50.3° | 21.5° |
| C22 | N2 | C21 | H21 | 112.8° | 86.7° |
| N2 | C22 | H94 | H95 | 124.1° | 121.1° |
| N2 | C22 | C23 | H93 | 67.7° | 139.7° |
| N2 | C22 | C23 | H23 | 168.4° | 96.7° |
| C21 | N2 | C22 | C23 | 27.7° | 2.2° |
| N2 | C21 | C8 | H21 | 118.6° | 112.6° |
| N2 | C21 | C8 | C23 | 37.2° | 38.8° |
| N2 | C21 | C8 | C7 | 159.5° | 162.7° |
| N2 | C21 | C8 | H8 | 77.7° | 76.1° |
| C21 | N2 | C22 | H94 | 146.3° | 117.2° |
| C21 | N2 | C22 | H95 | 90.8° | 121.6° |
| C22 | C23 | C8 | C21 | 53.5° | 35.8° |
| C22 | C23 | C8 | H93 | 118.0° | 118.1° |
| C22 | C23 | C8 | H23 | 118.0° | 118.3° |
| C22 | C23 | C8 | C7 | 172.3° | 158.7° |
| C22 | C23 | C8 | H8 | 61.2° | 78.5° |
| C23 | C22 | H94 | H95 | 124.1° | 121.3° |
| C22 | C23 | H93 | H23 | 125.5° | 123.6° |
| N1 | C5 | C4 | C3 | 36.1° | 31.9° |
| N1 | C5 | C4 | C6 | 122.2° | 125.1° |
| N1 | C5 | C4 | H5 | 116.0° | 116.3° |
| N1 | C5 | C6 | H5 | 122.6° | 123.3° |
| N1 | C5 | C6 | C7 | 31.3° | 0.3° |
| C5 | N1 | C2 | H22 | 138.2° | 101.8° |
| N1 | C5 | C4 | H41 | 82.3° | 150.4° |
| N1 | C5 | C4 | H42 | 154.4° | 86.8° |
| N1 | C5 | C6 | H6 | 148.7° | 179.7° |
| N4 | C12 | C13 | H12 | 124.2° | 120.0° |
| N4 | C12 | C13 | C14 | 69.2° | 65.0° |
| N4 | C12 | C13 | H13 | 51.5° | 175.0° |
| N4 | C12 | C13 | H2A | 170.2° | 55.0° |
| C3 | C4 | C5 | H41 | 118.4° | 118.5° |
| C3 | C4 | C5 | H42 | 118.4° | 118.6° |
| C3 | C4 | C5 | C6 | 158.2° | 157.0° |
| C4 | C3 | C2 | H22 | 161.3° | 122.3° |
| C3 | C4 | H41 | H42 | 124.6° | 123.0° |
| C3 | C4 | C5 | H5 | 79.9° | 84.4° |
| C4 | C3 | H31 | H32 | 124.1° | 122.1° |
| C21 | C8 | C23 | C7 | 118.8° | 122.9° |
| C21 | C8 | C23 | H8 | 114.7° | 114.3° |
| C21 | C8 | C7 | H8 | 121.8° | 120.7° |
| C21 | C8 | C7 | C6 | 27.5° | 39.6° |
| C21 | C8 | C7 | H7 | 152.5° | 140.4° |
| C21 | C8 | C23 | H93 | 64.5° | 154.0° |
| C21 | C8 | C23 | H23 | 171.6° | 82.4° |
| C12 | C13 | C14 | H13 | 120.6° | 120.0° |
| C12 | C13 | C14 | H2A | 120.6° | 120.0° |
| C12 | C13 | C14 | C16 | 92.8° | 100.0° |
| C12 | C13 | C14 | C15 | 89.4° | 80.3° |
| C13 | C12 | N4 | H43 | 22.7° | 120.0° |
| C12 | C13 | H13 | H2A | 118.0° | 120.0° |
| C23 | C8 | C7 | H8 | 125.7° | 122.8° |
| C23 | C8 | C7 | C6 | 139.9° | 156.0° |
| C23 | C8 | C7 | H7 | 40.1° | 24.0° |
| C23 | C8 | C21 | H21 | 81.4° | 73.8° |
| C8 | C23 | C22 | H94 | 168.9° | 140.9° |
| C8 | C23 | C22 | H95 | 68.2° | 97.8° |
| C8 | C23 | H93 | H23 | 125.5° | 123.6° |
| C8 | C7 | C6 | C5 | 0.4° | 2.9° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H6 | 179.6° | 177.0° |
| C7 | C8 | C21 | H21 | 40.9° | 50.1° |
| C7 | C8 | C23 | H93 | 54.3° | 83.1° |
| C7 | C8 | C23 | H23 | 69.6° | 40.5° |
| C4 | C5 | C6 | H5 | 121.0° | 118.5° |
| C4 | C5 | C6 | C7 | 147.7° | 118.0° |
| C5 | C4 | H41 | H42 | 124.7° | 122.8° |
| C5 | C4 | C3 | H31 | 170.5° | 139.6° |
| C5 | C4 | C3 | H32 | 66.6° | 98.3° |
| C4 | C5 | C6 | H6 | 32.3° | 62.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | C4 | H41 | 39.9° | 84.4° |
| C6 | C5 | C4 | H42 | 83.4° | 38.4° |
| C5 | C6 | C7 | H7 | 179.6° | 177.1° |
| C7 | C6 | C5 | H5 | 91.3° | 123.6° |
| C6 | C7 | C8 | H8 | 94.3° | 81.1° |
| C13 | C14 | C16 | C15 | 177.9° | 179.7° |
| C13 | C14 | C15 | CL | 1.8° | 0.0° |
| C13 | C14 | C16 | C17 | 178.4° | 180.0° |
| C13 | C14 | C15 | C19 | 177.7° | 180.0° |
| C14 | C13 | H13 | H2A | 118.0° | 120.0° |
| C14 | C13 | C12 | H12 | 55.0° | 55.0° |
| C13 | C14 | C16 | H16 | 1.6° | 0.1° |
| C16 | C14 | C15 | CL | 179.6° | 179.7° |
| C14 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C14 | C15 | C19 | 0.1° | 0.3° |
| C14 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C14 | C13 | H13 | 27.8° | 140.0° |
| C16 | C14 | C13 | H2A | 146.6° | 20.0° |
| C14 | C16 | C17 | H17 | 179.4° | 180.0° |
| C14 | C15 | CL | C19 | 179.6° | 180.0° |
| C15 | C14 | C16 | C17 | 0.5° | 0.3° |
| C14 | C15 | C19 | C18 | 0.6° | 0.0° |
| C15 | C14 | C13 | H13 | 150.0° | 39.7° |
| C15 | C14 | C13 | H2A | 31.2° | 159.7° |
| C15 | C14 | C16 | H16 | 179.5° | 179.8° |
| C14 | C15 | C19 | H19 | 179.5° | 180.0° |
| CL | C15 | C19 | C18 | 179.8° | 180.0° |
| CL | C15 | C19 | H19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C15 | C19 | C18 | C17 | 0.5° | 0.3° |
| C15 | C19 | C18 | H19 | 180.0° | 180.0° |
| C15 | C19 | C18 | H18 | 179.5° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 179.4° | 179.9° |
| C17 | C18 | C19 | H19 | 179.5° | 179.7° |
| C19 | C18 | C17 | H17 | 179.9° | 179.8° |
| H22 | C2 | C3 | H31 | 80.2° | 118.8° |
| H22 | C2 | C3 | H32 | 42.7° | 3.4° |
| H41 | C4 | C5 | H5 | 161.7° | 34.1° |
| H41 | C4 | C3 | H31 | 52.1° | 101.9° |
| H41 | C4 | C3 | H32 | 175.0° | 20.2° |
| H42 | C4 | C5 | H5 | 38.5° | 156.9° |
| H42 | C4 | C3 | H31 | 71.1° | 21.0° |
| H42 | C4 | C3 | H32 | 51.8° | 143.1° |
| H5 | C5 | C6 | H6 | 88.7° | 56.4° |
| H7 | C7 | C8 | H8 | 85.7° | 98.8° |
| H7 | C7 | C6 | H6 | 0.4° | 3.0° |
| H8 | C8 | C21 | H21 | 163.7° | 171.3° |
| H8 | C8 | C23 | H93 | 179.2° | 39.7° |
| H8 | C8 | C23 | H23 | 56.8° | 163.3° |
| H91 | C9 | C10 | H10 | 45.6° | 118.8° |
| H91 | C9 | C24 | H24 | 51.3° | 21.1° |
| H91 | C9 | C24 | H5A | 174.8° | 101.9° |
| H92 | C9 | C10 | H10 | 77.3° | 3.3° |
| H92 | C9 | C24 | H24 | 71.6° | 143.2° |
| H92 | C9 | C24 | H5A | 51.9° | 20.2° |
| H43 | N4 | C12 | H12 | 146.2° | 0.0° |
| H13 | C13 | C12 | H12 | 175.7° | 65.0° |
| H2A | C13 | C12 | H12 | 65.6° | 175.0° |
| H16 | C16 | C17 | H17 | 0.6° | 0.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
| H18 | C18 | C17 | H17 | 0.1° | 0.1° |
| H94 | C22 | C23 | H93 | 50.8° | 101.0° |
| H94 | C22 | C23 | H23 | 73.1° | 22.6° |
| H95 | C22 | C23 | H93 | 173.7° | 20.3° |
| H95 | C22 | C23 | H23 | 49.8° | 143.9° |
| H24 | C24 | C27 | H27 | 40.8° | 156.5° |
| H5A | C24 | C27 | H27 | 164.3° | 33.6° |
| H27 | C27 | C48 | H48 | 78.3° | 56.2° |
| H29 | C29 | C30 | H36 | 49.6° | 22.7° |
| H29 | C29 | C30 | H30 | 73.1° | 144.0° |
| H29 | C29 | C34 | H38 | 54.4° | 162.6° |
| H37 | C29 | C30 | H36 | 174.1° | 100.7° |
| H37 | C29 | C30 | H30 | 51.4° | 20.5° |
| H37 | C29 | C34 | H38 | 178.8° | 39.0° |
| H33 | C33 | H35 | H34 | 120.0° | 120.0° |
| H49 | C35 | C34 | H38 | 161.6° | 171.9° |
| H38 | C34 | C47 | H47 | 89.8° | 98.4° |
| H47 | C47 | C48 | H48 | 1.5° | 2.8° |
