8SB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C22 | N2 | sing | 1.47Å | 1.50Å | |
| C23 | C8 | sing | 1.54Å | 1.50Å | |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| O6 | C20 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.47Å | 1.42Å | |
| C8 | C21 | sing | 1.52Å | 1.52Å | |
| N2 | C20 | sing | 1.35Å | 1.36Å | |
| N2 | C21 | sing | 1.46Å | 1.48Å | |
| C20 | C10 | sing | 1.51Å | 1.44Å | |
| C7 | C6 | doub | 1.26Å | 1.40Å | |
| C32 | O5 | doub | 1.21Å | 1.24Å | |
| C32 | N4 | sing | 1.35Å | 1.34Å | |
| C21 | C25 | sing | 1.44Å | 1.40Å | |
| C30 | C29 | sing | 1.55Å | 1.54Å | |
| C30 | N5 | sing | 1.48Å | 1.47Å | |
| C34 | C29 | sing | 1.54Å | 1.50Å | |
| C34 | C47 | sing | 1.44Å | 1.40Å | |
| C34 | C35 | sing | 1.52Å | 1.52Å | |
| C47 | C48 | doub | 1.26Å | 1.40Å | |
| O3 | C31 | doub | 1.21Å | 1.24Å | |
| N4 | C12 | sing | 1.46Å | 1.47Å | |
| C10 | N3 | sing | 1.48Å | 1.48Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| O7 | C25 | doub | 1.21Å | 1.23Å | |
| C25 | N1 | sing | 1.33Å | 1.32Å | |
| C24 | C9 | sing | 1.54Å | 1.48Å | |
| C24 | C27 | sing | 1.55Å | 1.52Å | |
| C31 | N3 | sing | 1.33Å | 1.31Å | |
| C31 | C35 | sing | 1.46Å | 1.41Å | |
| C6 | C5 | sing | 1.48Å | 1.42Å | |
| C48 | C27 | sing | 1.48Å | 1.42Å | |
| N3 | C27 | sing | 1.46Å | 1.48Å | |
| N5 | C35 | sing | 1.46Å | 1.48Å | |
| N5 | C11 | sing | 1.35Å | 1.34Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| N1 | C5 | sing | 1.46Å | 1.49Å | |
| N1 | C2 | sing | 1.48Å | 1.49Å | |
| C11 | O4 | doub | 1.21Å | 1.23Å | |
| C16 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.40Å | |
| C1 | O2 | sing | 1.34Å | 1.25Å | |
| C14 | C13 | sing | 1.51Å | 1.42Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C19 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.67Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H95 | sing | 1.09Å | 1.10Å | |
| C22 | H94 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H5A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H2A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H93 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H49 | sing | 1.09Å | 1.10Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| 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 | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | N2 | 101.9° | 107.0° |
| C22 | C23 | C8 | 99.2° | 102.3° |
| C23 | C22 | H95 | 111.3° | 109.9° |
| C23 | C22 | H94 | 111.3° | 109.9° |
| C22 | C23 | H93 | 111.9° | 110.8° |
| C22 | C23 | H23 | 112.0° | 110.9° |
| C22 | N2 | C20 | 121.4° | 126.2° |
| C22 | N2 | C21 | 104.7° | 108.0° |
| N2 | C22 | H95 | 111.3° | 109.1° |
| N2 | C22 | H94 | 111.3° | 110.8° |
| C23 | C8 | C7 | 113.7° | 115.0° |
| C23 | C8 | C21 | 97.7° | 101.8° |
| C8 | C23 | H93 | 112.0° | 110.0° |
| C8 | C23 | H23 | 112.0° | 111.7° |
| C23 | C8 | H8 | 111.2° | 109.0° |
| C33 | C32 | O5 | 122.0° | 120.0° |
| C33 | C32 | N4 | 115.5° | 120.0° |
| C32 | C33 | H34 | 109.5° | 109.4° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H35 | 109.4° | 109.4° |
| O6 | C20 | N2 | 121.0° | 120.0° |
| O6 | C20 | C10 | 121.5° | 120.0° |
| C7 | C8 | C21 | 110.2° | 113.5° |
| C8 | C7 | C6 | 129.1° | 130.5° |
| C8 | C7 | H7 | 115.5° | 114.7° |
| C7 | C8 | H8 | 112.4° | 109.0° |
| C8 | C21 | N2 | 106.3° | 105.1° |
| C8 | C21 | C25 | 109.2° | 114.2° |
| C8 | C21 | H21 | 108.3° | 106.8° |
| C21 | C8 | H8 | 110.9° | 108.1° |
| C20 | N2 | C21 | 133.8° | 125.8° |
| N2 | C20 | C10 | 117.3° | 120.0° |
| N2 | C21 | C25 | 114.3° | 117.7° |
| N2 | C21 | H21 | 108.8° | 106.0° |
| C20 | C10 | N3 | 109.2° | 109.7° |
| C20 | C10 | C9 | 118.5° | 109.7° |
| C20 | C10 | H10 | 109.8° | 109.7° |
| C7 | C6 | C5 | 130.5° | 133.4° |
| C7 | C6 | H6 | 114.8° | 113.3° |
| C6 | C7 | H7 | 115.4° | 114.8° |
| O5 | C32 | N4 | 122.5° | 120.0° |
| C32 | N4 | C12 | 120.7° | 120.0° |
| C32 | N4 | H43 | 119.7° | 120.0° |
| C21 | C25 | O7 | 121.1° | 116.0° |
| C21 | C25 | N1 | 122.1° | 128.7° |
| C25 | C21 | H21 | 109.9° | 106.4° |
| C29 | C30 | N5 | 98.5° | 107.2° |
| C30 | C29 | C34 | 98.8° | 102.3° |
| C30 | C29 | H29 | 112.1° | 110.8° |
| C30 | C29 | H37 | 112.1° | 110.8° |
| C29 | C30 | H30 | 112.1° | 109.9° |
| C29 | C30 | H36 | 112.1° | 109.9° |
| C30 | N5 | C35 | 109.0° | 107.5° |
| C30 | N5 | C11 | 130.0° | 126.2° |
| N5 | C30 | H30 | 112.1° | 109.8° |
| N5 | C30 | H36 | 112.1° | 109.9° |
| C29 | C34 | C47 | 114.0° | 114.9° |
| C29 | C34 | C35 | 100.9° | 101.8° |
| C34 | C29 | H29 | 112.0° | 110.9° |
| C34 | C29 | H37 | 112.1° | 111.0° |
| C29 | C34 | H38 | 110.2° | 109.0° |
| C47 | C34 | C35 | 109.4° | 113.5° |
| C34 | C47 | C48 | 127.8° | 131.2° |
| C47 | C34 | H38 | 111.7° | 109.1° |
| C34 | C47 | H47 | 116.1° | 114.8° |
| C34 | C35 | C31 | 108.4° | 114.6° |
| C34 | C35 | N5 | 103.3° | 105.8° |
| C35 | C34 | H38 | 110.0° | 108.2° |
| C34 | C35 | H49 | 108.8° | 106.1° |
| C47 | C48 | C27 | 131.1° | 133.3° |
| C48 | C47 | H47 | 116.1° | 114.0° |
| C47 | C48 | H48 | 114.4° | 113.3° |
| O3 | C31 | N3 | 115.1° | 116.1° |
| O3 | C31 | C35 | 122.9° | 116.1° |
| N4 | C12 | C11 | 109.2° | 109.5° |
| N4 | C12 | C13 | 107.5° | 109.5° |
| N4 | C12 | H12 | 110.0° | 109.5° |
| C12 | N4 | H43 | 119.7° | 120.0° |
| N3 | C10 | C9 | 100.9° | 108.1° |
| C10 | N3 | C31 | 124.0° | 123.1° |
| C10 | N3 | C27 | 109.1° | 107.3° |
| N3 | C10 | H10 | 109.3° | 109.8° |
| C10 | C9 | C24 | 101.6° | 105.0° |
| C9 | C10 | H10 | 108.7° | 109.8° |
| C10 | C9 | H91 | 111.4° | 110.3° |
| C10 | C9 | H92 | 111.4° | 110.3° |
| O7 | C25 | N1 | 116.7° | 115.3° |
| C25 | N1 | C5 | 124.2° | 129.7° |
| C25 | N1 | C2 | 126.8° | 122.8° |
| C9 | C24 | C27 | 97.9° | 103.7° |
| C9 | C24 | H24 | 112.3° | 110.6° |
| C9 | C24 | H5A | 112.3° | 110.5° |
| C24 | C9 | H91 | 111.4° | 110.3° |
| C24 | C9 | H92 | 111.4° | 110.4° |
| C24 | C27 | C48 | 108.3° | 108.1° |
| C24 | C27 | N3 | 100.9° | 105.3° |
| C27 | C24 | H24 | 112.3° | 110.6° |
| C27 | C24 | H5A | 112.3° | 110.6° |
| C24 | C27 | H27 | 109.4° | 109.0° |
| N3 | C31 | C35 | 122.0° | 127.8° |
| C31 | N3 | C27 | 126.9° | 129.4° |
| C31 | C35 | N5 | 116.3° | 117.8° |
| C31 | C35 | H49 | 110.2° | 106.1° |
| C6 | C5 | N1 | 115.9° | 116.0° |
| C6 | C5 | C4 | 107.8° | 108.0° |
| C6 | C5 | H5 | 111.2° | 109.1° |
| C5 | C6 | H6 | 114.7° | 113.3° |
| C48 | C27 | N3 | 116.8° | 115.9° |
| C48 | C27 | H27 | 110.9° | 109.1° |
| C27 | C48 | H48 | 114.4° | 113.4° |
| N3 | C27 | H27 | 109.9° | 109.1° |
| C35 | N5 | C11 | 120.7° | 126.3° |
| N5 | C35 | H49 | 109.3° | 105.6° |
| N5 | C11 | C12 | 116.4° | 120.0° |
| N5 | C11 | O4 | 122.1° | 120.0° |
| O1 | C1 | C2 | 118.9° | 120.0° |
| O1 | C1 | O2 | 125.1° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | C14 | 121.1° | 120.0° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.0° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C11 | C12 | C13 | 112.1° | 109.4° |
| C12 | C11 | O4 | 121.5° | 120.0° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C12 | C13 | C14 | 109.3° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C12 | C13 | H2A | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C5 | N1 | C2 | 109.0° | 107.4° |
| N1 | C5 | C4 | 101.7° | 105.4° |
| N1 | C5 | H5 | 110.0° | 109.1° |
| N1 | C2 | C1 | 111.6° | 109.7° |
| N1 | C2 | C3 | 100.4° | 108.1° |
| N1 | C2 | H22 | 110.0° | 109.8° |
| C16 | C14 | C13 | 119.5° | 119.9° |
| C16 | C14 | C15 | 118.2° | 120.0° |
| C14 | C16 | H16 | 119.5° | 120.0° |
| C5 | C4 | C3 | 98.0° | 103.8° |
| C5 | C4 | H42 | 112.3° | 110.6° |
| C5 | C4 | H41 | 112.3° | 110.7° |
| C4 | C5 | H5 | 109.6° | 109.0° |
| C18 | C19 | C15 | 119.6° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C2 | C1 | O2 | 115.8° | 120.0° |
| C1 | C2 | C3 | 113.8° | 109.7° |
| C1 | C2 | H22 | 111.3° | 109.7° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C13 | C14 | C15 | 122.3° | 120.0° |
| C14 | C13 | H2A | 109.5° | 109.5° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C14 | C15 | C19 | 121.4° | 120.0° |
| C14 | C15 | CL | 119.5° | 120.0° |
| C2 | C3 | C4 | 99.6° | 105.0° |
| C3 | C2 | H22 | 109.2° | 109.8° |
| C2 | C3 | H31 | 111.9° | 110.3° |
| C2 | C3 | H32 | 111.9° | 110.3° |
| C4 | C3 | H31 | 111.9° | 110.3° |
| C4 | C3 | H32 | 111.9° | 110.4° |
| C3 | C4 | H42 | 112.3° | 110.5° |
| C3 | C4 | H41 | 112.3° | 110.5° |
| C19 | C15 | CL | 119.1° | 120.0° |
| C15 | C19 | H19 | 120.2° | 120.0° |
| H31 | C3 | H32 | 109.5° | 110.3° |
| H42 | C4 | H41 | 109.5° | 110.6° |
| H95 | C22 | H94 | 109.5° | 110.0° |
| H24 | C24 | H5A | 109.5° | 110.6° |
| H29 | C29 | H37 | 109.5° | 110.7° |
| H30 | C30 | H36 | 109.5° | 110.0° |
| H34 | C33 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H2A | C13 | H13 | 109.5° | 109.5° |
| H93 | C23 | H23 | 109.5° | 110.9° |
| H91 | C9 | H92 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | N2 | H95 | 118.8° | 118.9° |
| C23 | C22 | N2 | H94 | 118.8° | 119.8° |
| C22 | C23 | C8 | H93 | 118.3° | 117.7° |
| C22 | C23 | C8 | H23 | 118.3° | 118.6° |
| C22 | C23 | C8 | C7 | 169.0° | 158.9° |
| C22 | C23 | C8 | C21 | 52.9° | 35.7° |
| C23 | C22 | N2 | C20 | 154.7° | 177.8° |
| C23 | C22 | N2 | C21 | 22.9° | 3.8° |
| C23 | C22 | H95 | H94 | 123.5° | 121.2° |
| C22 | C23 | H93 | H23 | 124.8° | 123.6° |
| C22 | C23 | C8 | H8 | 63.0° | 78.4° |
| N2 | C22 | C23 | C8 | 48.1° | 20.4° |
| C22 | N2 | C20 | O6 | 0.2° | 179.9° |
| C22 | N2 | C21 | C8 | 10.4° | 27.2° |
| C22 | N2 | C20 | C21 | 176.8° | 178.1° |
| C22 | N2 | C20 | C10 | 174.2° | 0.1° |
| C22 | N2 | C21 | C25 | 130.8° | 155.6° |
| C22 | N2 | C21 | H21 | 106.0° | 85.6° |
| N2 | C22 | H95 | H94 | 123.5° | 121.7° |
| N2 | C22 | C23 | H93 | 70.2° | 96.7° |
| N2 | C22 | C23 | H23 | 166.4° | 139.7° |
| C23 | C8 | C7 | C21 | 108.4° | 116.7° |
| C23 | C8 | C7 | H8 | 127.4° | 122.7° |
| C23 | C8 | C21 | H8 | 116.2° | 114.7° |
| C23 | C8 | C21 | N2 | 39.9° | 39.4° |
| C23 | C8 | C7 | C6 | 134.8° | 156.3° |
| C23 | C8 | C21 | C25 | 163.6° | 169.8° |
| C23 | C8 | C21 | H21 | 76.8° | 72.9° |
| C8 | C23 | C22 | H95 | 70.6° | 97.9° |
| C8 | C23 | C22 | H94 | 166.9° | 140.8° |
| C8 | C23 | H93 | H23 | 124.8° | 124.1° |
| C23 | C8 | C7 | H7 | 45.2° | 23.7° |
| C33 | C32 | O5 | N4 | 179.0° | 179.9° |
| C33 | C32 | N4 | C12 | 177.4° | 175.2° |
| C32 | C33 | H34 | H33 | 120.0° | 120.0° |
| C32 | C33 | H34 | H35 | 120.0° | 119.9° |
| C32 | C33 | H33 | H35 | 120.0° | 120.0° |
| C33 | C32 | N4 | H43 | 2.5° | 4.7° |
| O6 | C20 | N2 | C10 | 174.4° | 180.0° |
| O6 | C20 | N2 | C21 | 177.0° | 1.8° |
| O6 | C20 | C10 | N3 | 49.3° | 42.5° |
| O6 | C20 | C10 | C9 | 65.3° | 76.1° |
| O6 | C20 | C10 | H10 | 169.1° | 163.2° |
| C7 | C8 | C21 | H8 | 125.0° | 121.1° |
| C7 | C8 | C21 | N2 | 158.7° | 163.6° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C21 | C25 | 77.6° | 66.0° |
| C8 | C7 | C6 | C5 | 0.4° | 2.2° |
| C8 | C7 | C6 | H6 | 179.6° | 177.8° |
| C7 | C8 | C21 | H21 | 42.0° | 51.3° |
| C7 | C8 | C23 | H93 | 50.7° | 41.2° |
| C7 | C8 | C23 | H23 | 72.7° | 82.5° |
| C8 | C21 | N2 | C20 | 172.4° | 154.4° |
| C8 | C21 | N2 | C25 | 120.4° | 128.3° |
| C8 | C21 | N2 | H21 | 116.4° | 112.9° |
| C21 | C8 | C7 | C6 | 26.4° | 39.6° |
| C8 | C21 | C25 | H21 | 118.6° | 117.5° |
| C8 | C21 | C25 | O7 | 103.4° | 141.6° |
| C8 | C21 | C25 | N1 | 75.7° | 38.3° |
| C21 | C8 | C23 | H93 | 65.4° | 82.0° |
| C21 | C8 | C23 | H23 | 171.2° | 154.3° |
| C21 | C8 | C7 | H7 | 153.6° | 140.4° |
| C20 | N2 | C21 | C25 | 52.0° | 26.1° |
| N2 | C20 | C10 | N3 | 125.1° | 137.5° |
| N2 | C20 | C10 | C9 | 120.3° | 103.9° |
| C20 | N2 | C21 | H21 | 71.2° | 92.8° |
| C20 | N2 | C22 | H95 | 86.5° | 58.9° |
| C20 | N2 | C22 | H94 | 35.9° | 62.4° |
| N2 | C20 | C10 | H10 | 5.3° | 16.8° |
| C21 | N2 | C20 | C10 | 2.6° | 178.2° |
| N2 | C21 | C25 | H21 | 122.6° | 118.6° |
| N2 | C21 | C25 | O7 | 15.5° | 17.8° |
| N2 | C21 | C25 | N1 | 165.5° | 162.2° |
| C21 | N2 | C22 | H95 | 95.9° | 122.7° |
| C21 | N2 | C22 | H94 | 141.7° | 116.0° |
| N2 | C21 | C8 | H8 | 76.3° | 75.3° |
| C20 | C10 | N3 | C9 | 125.5° | 119.6° |
| C20 | C10 | N3 | H10 | 120.2° | 120.7° |
| C20 | C10 | C9 | H10 | 126.2° | 120.7° |
| C20 | C10 | C9 | C24 | 80.3° | 117.0° |
| C20 | C10 | N3 | C31 | 64.1° | 47.3° |
| C20 | C10 | N3 | C27 | 117.1° | 137.5° |
| C20 | C10 | C9 | H91 | 161.0° | 1.9° |
| C20 | C10 | C9 | H92 | 38.4° | 124.1° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | N1 | 25.8° | 0.0° |
| C7 | C6 | C5 | C4 | 138.9° | 118.0° |
| C7 | C6 | C5 | H5 | 100.8° | 123.6° |
| C6 | C7 | C8 | H8 | 97.8° | 81.0° |
| O5 | C32 | N4 | C12 | 1.6° | 4.9° |
| O5 | C32 | C33 | H34 | 0.0° | 5.0° |
| O5 | C32 | C33 | H33 | 120.0° | 115.0° |
| O5 | C32 | C33 | H35 | 120.0° | 125.0° |
| O5 | C32 | N4 | H43 | 178.4° | 175.2° |
| C32 | N4 | C12 | H43 | 180.0° | 179.9° |
| C32 | N4 | C12 | C11 | 130.9° | 139.4° |
| C32 | N4 | C12 | C13 | 107.2° | 100.6° |
| N4 | C32 | C33 | H34 | 179.0° | 175.1° |
| N4 | C32 | C33 | H33 | 60.9° | 64.9° |
| N4 | C32 | C33 | H35 | 59.0° | 55.1° |
| C32 | N4 | C12 | H12 | 11.2° | 19.4° |
| C21 | C25 | O7 | N1 | 179.1° | 179.9° |
| C21 | C25 | N1 | C5 | 2.8° | 20.5° |
| C21 | C25 | N1 | C2 | 176.9° | 163.4° |
| C25 | C21 | C8 | H8 | 47.4° | 55.1° |
| C29 | C30 | N5 | H30 | 118.2° | 119.4° |
| C29 | C30 | N5 | H36 | 118.2° | 119.4° |
| C30 | C29 | C34 | H29 | 118.2° | 118.2° |
| C30 | C29 | C34 | H37 | 118.3° | 118.3° |
| C30 | C29 | C34 | C47 | 168.3° | 158.9° |
| C30 | C29 | C34 | C35 | 51.1° | 35.8° |
| C29 | C30 | N5 | C35 | 31.2° | 2.1° |
| C29 | C30 | N5 | C11 | 143.7° | 177.8° |
| C30 | C29 | H29 | H37 | 125.0° | 123.4° |
| C29 | C30 | H30 | H36 | 125.1° | 121.1° |
| C30 | C29 | C34 | H38 | 65.1° | 78.4° |
| N5 | C30 | C29 | C34 | 50.2° | 21.5° |
| C30 | N5 | C35 | C34 | 0.3° | 25.6° |
| C30 | N5 | C35 | C31 | 118.3° | 155.3° |
| C30 | N5 | C35 | C11 | 175.5° | 179.9° |
| C30 | N5 | C11 | C12 | 4.3° | 6.8° |
| C30 | N5 | C11 | O4 | 175.0° | 173.2° |
| N5 | C30 | C29 | H29 | 168.4° | 139.8° |
| N5 | C30 | C29 | H37 | 68.0° | 96.9° |
| N5 | C30 | H30 | H36 | 125.1° | 121.1° |
| C30 | N5 | C35 | H49 | 116.1° | 86.5° |
| C29 | C34 | C47 | C35 | 112.1° | 116.6° |
| C29 | C34 | C47 | H38 | 125.8° | 122.7° |
| C29 | C34 | C35 | H38 | 116.4° | 114.7° |
| C29 | C34 | C47 | C48 | 148.2° | 155.5° |
| C29 | C34 | C35 | C31 | 156.0° | 170.2° |
| C29 | C34 | C35 | N5 | 32.0° | 38.7° |
| C34 | C29 | H29 | H37 | 125.0° | 123.7° |
| C34 | C29 | C30 | H30 | 168.4° | 140.9° |
| C34 | C29 | C30 | H36 | 67.9° | 97.9° |
| C29 | C34 | C35 | H49 | 84.1° | 73.1° |
| C29 | C34 | C47 | H47 | 31.8° | 23.9° |
| C47 | C34 | C35 | H38 | 123.1° | 121.2° |
| C34 | C47 | C48 | H47 | 180.0° | 179.4° |
| C47 | C34 | C35 | C31 | 83.5° | 65.8° |
| C34 | C47 | C48 | C27 | 0.3° | 3.2° |
| C47 | C34 | C35 | N5 | 152.5° | 162.7° |
| C47 | C34 | C29 | H29 | 73.5° | 82.9° |
| C47 | C34 | C29 | H37 | 50.0° | 40.6° |
| C47 | C34 | C35 | H49 | 36.4° | 50.9° |
| C34 | C47 | C48 | H48 | 179.6° | 176.8° |
| C35 | C34 | C47 | C48 | 36.1° | 38.9° |
| C34 | C35 | C31 | O3 | 107.3° | 142.8° |
| C34 | C35 | C31 | N3 | 70.2° | 37.2° |
| C34 | C35 | C31 | N5 | 115.8° | 125.4° |
| C34 | C35 | C31 | H49 | 119.0° | 116.7° |
| C34 | C35 | N5 | H49 | 115.8° | 112.2° |
| C34 | C35 | N5 | C11 | 175.2° | 154.3° |
| C35 | C34 | C29 | H29 | 169.3° | 154.0° |
| C35 | C34 | C29 | H37 | 67.2° | 82.5° |
| C35 | C34 | C47 | H47 | 143.9° | 140.5° |
| C47 | C48 | C27 | C24 | 127.5° | 118.0° |
| C47 | C48 | C27 | H48 | 180.0° | 180.0° |
| C47 | C48 | C27 | N3 | 14.5° | 0.1° |
| C48 | C47 | C34 | H38 | 86.0° | 81.9° |
| C47 | C48 | C27 | H27 | 112.5° | 123.6° |
| O3 | C31 | N3 | C10 | 2.0° | 16.4° |
| O3 | C31 | N3 | C35 | 177.7° | 180.0° |
| O3 | C31 | N3 | C27 | 179.3° | 157.6° |
| O3 | C31 | C35 | N5 | 8.5° | 17.3° |
| O3 | C31 | C35 | H49 | 133.6° | 100.6° |
| N4 | C12 | C11 | N5 | 63.5° | 165.1° |
| N4 | C12 | C11 | C13 | 119.0° | 120.0° |
| N4 | C12 | C11 | H12 | 120.2° | 120.0° |
| N4 | C12 | C13 | H12 | 119.1° | 120.0° |
| N4 | C12 | C11 | O4 | 117.2° | 14.8° |
| N4 | C12 | C13 | C14 | 59.5° | 65.9° |
| N4 | C12 | C13 | H2A | 60.5° | 54.1° |
| N4 | C12 | C13 | H13 | 179.4° | 174.0° |
| N3 | C10 | C9 | H10 | 114.8° | 119.7° |
| N3 | C10 | C9 | C24 | 38.7° | 2.7° |
| C10 | N3 | C27 | C24 | 23.9° | 31.1° |
| C10 | N3 | C31 | C27 | 178.6° | 174.0° |
| C10 | N3 | C31 | C35 | 179.7° | 163.6° |
| C10 | N3 | C27 | C48 | 141.0° | 150.5° |
| C10 | N3 | C27 | H27 | 91.5° | 85.8° |
| N3 | C10 | C9 | H91 | 80.0° | 121.5° |
| N3 | C10 | C9 | H92 | 157.4° | 116.3° |
| C10 | C9 | C24 | H91 | 118.7° | 118.9° |
| C10 | C9 | C24 | H92 | 118.7° | 118.9° |
| C10 | C9 | C24 | C27 | 53.5° | 20.7° |
| C9 | C10 | N3 | C31 | 170.4° | 167.0° |
| C9 | C10 | N3 | C27 | 8.4° | 17.9° |
| C10 | C9 | C24 | H24 | 171.6° | 97.9° |
| C10 | C9 | C24 | H5A | 64.6° | 139.2° |
| C10 | C9 | H91 | H92 | 123.7° | 122.2° |
| O7 | C25 | N1 | C5 | 176.3° | 159.6° |
| O7 | C25 | N1 | C2 | 4.0° | 16.6° |
| O7 | C25 | C21 | H21 | 138.0° | 100.9° |
| C25 | N1 | C5 | C6 | 46.1° | 33.2° |
| C25 | N1 | C5 | C2 | 179.7° | 176.6° |
| C25 | N1 | C5 | C4 | 162.8° | 152.5° |
| C25 | N1 | C2 | C1 | 75.6° | 45.7° |
| C25 | N1 | C2 | C3 | 163.5° | 165.4° |
| C25 | N1 | C2 | H22 | 48.5° | 74.9° |
| C25 | N1 | C5 | H5 | 81.1° | 90.5° |
| N1 | C25 | C21 | H21 | 42.9° | 79.2° |
| C9 | C24 | C27 | H24 | 118.0° | 118.6° |
| C9 | C24 | C27 | H5A | 118.1° | 118.5° |
| C9 | C24 | C27 | C48 | 170.2° | 156.5° |
| C9 | C24 | C27 | N3 | 47.0° | 32.0° |
| C9 | C24 | H24 | H5A | 125.4° | 122.8° |
| C24 | C9 | C10 | H10 | 153.5° | 122.3° |
| C9 | C24 | C27 | H27 | 68.8° | 85.0° |
| C24 | C9 | H91 | H92 | 123.7° | 122.2° |
| C24 | C27 | N3 | C31 | 157.3° | 154.2° |
| C24 | C27 | C48 | N3 | 112.9° | 117.9° |
| C24 | C27 | C48 | H27 | 120.1° | 118.5° |
| C24 | C27 | N3 | H27 | 115.4° | 116.9° |
| C27 | C24 | H24 | H5A | 125.4° | 122.9° |
| C24 | C27 | C48 | H48 | 52.6° | 62.0° |
| C27 | C24 | C9 | H91 | 65.2° | 139.5° |
| C27 | C24 | C9 | H92 | 172.2° | 98.3° |
| C31 | N3 | C27 | C48 | 40.2° | 34.7° |
| N3 | C31 | C35 | N5 | 174.0° | 162.7° |
| C31 | N3 | C10 | H10 | 56.1° | 73.4° |
| C31 | N3 | C27 | H27 | 87.2° | 88.9° |
| N3 | C31 | C35 | H49 | 48.9° | 79.4° |
| C35 | C31 | N3 | C27 | 1.6° | 22.4° |
| C31 | C35 | N5 | H49 | 125.6° | 118.2° |
| C31 | C35 | N5 | C11 | 66.2° | 24.6° |
| C31 | C35 | C34 | H38 | 39.6° | 55.4° |
| C6 | C5 | N1 | C4 | 116.7° | 119.4° |
| C6 | C5 | N1 | H5 | 127.2° | 123.7° |
| C6 | C5 | N1 | C2 | 134.2° | 150.2° |
| C6 | C5 | C4 | H5 | 121.2° | 118.5° |
| C6 | C5 | C4 | C3 | 166.9° | 156.3° |
| C6 | C5 | C4 | H42 | 75.0° | 37.8° |
| C6 | C5 | C4 | H41 | 48.8° | 85.1° |
| C5 | C6 | C7 | H7 | 179.6° | 177.8° |
| C48 | C27 | N3 | H27 | 127.4° | 123.6° |
| C48 | C27 | C24 | H24 | 71.7° | 37.9° |
| C48 | C27 | C24 | H5A | 52.1° | 85.0° |
| C27 | C48 | C47 | H47 | 179.7° | 177.5° |
| N3 | C27 | C24 | H24 | 165.1° | 86.6° |
| N3 | C27 | C24 | H5A | 71.1° | 150.5° |
| C27 | N3 | C10 | H10 | 122.7° | 101.8° |
| N3 | C27 | C48 | H48 | 165.5° | 179.9° |
| C35 | N5 | C11 | C12 | 178.8° | 173.1° |
| C35 | N5 | C11 | O4 | 0.6° | 6.8° |
| C35 | N5 | C30 | H30 | 149.4° | 117.2° |
| C35 | N5 | C30 | H36 | 86.9° | 121.6° |
| N5 | C35 | C34 | H38 | 84.4° | 76.1° |
| N5 | C11 | C12 | O4 | 179.4° | 180.0° |
| N5 | C11 | C12 | C13 | 177.5° | 74.9° |
| C11 | N5 | C30 | H30 | 25.5° | 62.8° |
| C11 | N5 | C30 | H36 | 98.1° | 58.4° |
| N5 | C11 | C12 | H12 | 56.8° | 45.1° |
| C11 | N5 | C35 | H49 | 59.4° | 93.5° |
| O1 | C1 | C2 | N1 | 11.0° | 28.7° |
| O1 | C1 | C2 | O2 | 174.6° | 179.8° |
| O1 | C1 | C2 | C3 | 101.7° | 89.9° |
| O1 | C1 | C2 | H22 | 134.3° | 149.4° |
| O1 | C1 | O2 | H1 | 0.0° | 5.2° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C16 | C14 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.2° |
| C17 | C16 | C14 | C13 | 178.9° | 180.0° |
| C17 | C16 | C14 | C15 | 0.3° | 0.3° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C18 | C17 | C16 | C14 | 0.3° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | C15 | 0.4° | 0.2° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C11 | C12 | C13 | H12 | 120.9° | 120.0° |
| C11 | C12 | C13 | C14 | 179.5° | 174.1° |
| C11 | C12 | C13 | H2A | 59.5° | 65.9° |
| C11 | C12 | C13 | H13 | 60.6° | 54.1° |
| C11 | C12 | N4 | H43 | 49.1° | 40.6° |
| C13 | C12 | C11 | O4 | 1.8° | 105.1° |
| C12 | C13 | C14 | C16 | 89.9° | 92.2° |
| C12 | C13 | C14 | H2A | 120.0° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 88.6° | 88.1° |
| C12 | C13 | H2A | H13 | 120.1° | 120.0° |
| C13 | C12 | N4 | H43 | 72.8° | 79.3° |
| N1 | C5 | C4 | H5 | 116.4° | 117.0° |
| C5 | N1 | C2 | C1 | 104.7° | 137.4° |
| C5 | N1 | C2 | C3 | 16.2° | 17.7° |
| N1 | C5 | C4 | C3 | 44.5° | 31.8° |
| C5 | N1 | C2 | H22 | 131.3° | 102.0° |
| N1 | C5 | C4 | H42 | 162.6° | 86.7° |
| N1 | C5 | C4 | H41 | 73.6° | 150.4° |
| N1 | C5 | C6 | H6 | 154.2° | 180.0° |
| C2 | N1 | C5 | C4 | 17.5° | 30.9° |
| N1 | C2 | C1 | C3 | 112.7° | 118.6° |
| N1 | C2 | C1 | H22 | 123.3° | 120.7° |
| N1 | C2 | C1 | O2 | 163.6° | 151.1° |
| N1 | C2 | C3 | H22 | 115.6° | 119.7° |
| N1 | C2 | C3 | C4 | 44.2° | 2.7° |
| N1 | C2 | C3 | H31 | 162.6° | 121.6° |
| N1 | C2 | C3 | H32 | 74.2° | 116.3° |
| C2 | N1 | C5 | H5 | 98.6° | 86.1° |
| O4 | C11 | C12 | H12 | 122.6° | 134.9° |
| C16 | C14 | C13 | C15 | 178.5° | 179.7° |
| C16 | C14 | C15 | C19 | 0.4° | 0.3° |
| C16 | C14 | C15 | CL | 179.9° | 179.7° |
| C16 | C14 | C13 | H2A | 30.1° | 147.8° |
| C16 | C14 | C13 | H13 | 150.1° | 27.8° |
| C14 | C16 | C17 | H17 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 55.2° | 20.6° |
| C5 | C4 | C3 | H42 | 118.1° | 118.6° |
| C5 | C4 | C3 | H41 | 118.1° | 118.7° |
| C5 | C4 | C3 | H31 | 173.5° | 139.4° |
| C5 | C4 | C3 | H32 | 63.2° | 98.3° |
| C5 | C4 | H42 | H41 | 125.4° | 123.0° |
| C4 | C5 | C6 | H6 | 41.1° | 62.1° |
| C18 | C19 | C15 | C14 | 0.5° | 0.0° |
| C18 | C19 | C15 | H19 | 180.0° | 179.8° |
| C18 | C19 | C15 | CL | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 179.8° |
| C1 | C2 | C3 | H22 | 125.1° | 120.7° |
| C1 | C2 | C3 | C4 | 75.1° | 117.0° |
| C1 | C2 | C3 | H31 | 43.3° | 1.9° |
| C1 | C2 | C3 | H32 | 166.5° | 124.1° |
| C2 | C1 | O2 | H1 | 174.2° | 174.6° |
| O2 | C1 | C2 | C3 | 83.7° | 90.3° |
| O2 | C1 | C2 | H22 | 40.3° | 30.4° |
| C13 | C14 | C15 | C19 | 178.9° | 180.0° |
| C13 | C14 | C15 | CL | 1.6° | 0.0° |
| C14 | C13 | C12 | H12 | 59.7° | 54.1° |
| C14 | C13 | H2A | H13 | 120.1° | 120.0° |
| C13 | C14 | C16 | H16 | 1.1° | 0.0° |
| C14 | C15 | C19 | CL | 179.5° | 180.0° |
| C15 | C14 | C13 | H2A | 151.4° | 31.9° |
| C15 | C14 | C13 | H13 | 31.4° | 151.9° |
| C15 | C14 | C16 | H16 | 179.7° | 179.7° |
| C14 | C15 | C19 | H19 | 179.5° | 179.7° |
| C2 | C3 | C4 | H31 | 118.4° | 118.9° |
| C2 | C3 | C4 | H32 | 118.4° | 118.9° |
| C2 | C3 | H31 | H32 | 124.6° | 122.1° |
| C2 | C3 | C4 | H42 | 173.2° | 98.1° |
| C2 | C3 | C4 | H41 | 62.9° | 139.2° |
| C4 | C3 | C2 | H22 | 159.8° | 122.4° |
| C4 | C3 | H31 | H32 | 124.6° | 122.3° |
| C3 | C4 | H42 | H41 | 125.4° | 122.7° |
| C3 | C4 | C5 | H5 | 71.9° | 85.2° |
| C15 | C19 | C18 | H18 | 179.6° | 180.0° |
| CL | C15 | C19 | H19 | 0.0° | 0.3° |
| H22 | C2 | C3 | H31 | 81.9° | 118.7° |
| H22 | C2 | C3 | H32 | 41.4° | 3.4° |
| H31 | C3 | C4 | H42 | 68.4° | 20.8° |
| H31 | C3 | C4 | H41 | 55.5° | 101.9° |
| H32 | C3 | C4 | H42 | 54.8° | 143.0° |
| H32 | C3 | C4 | H41 | 178.7° | 20.3° |
| H42 | C4 | C5 | H5 | 46.2° | 156.3° |
| H41 | C4 | C5 | H5 | 170.0° | 33.4° |
| H5 | C5 | C6 | H6 | 79.2° | 56.3° |
| H6 | C6 | C7 | H7 | 0.4° | 2.2° |
| H21 | C21 | C8 | H8 | 167.0° | 172.4° |
| H95 | C22 | C23 | H93 | 171.1° | 144.9° |
| H95 | C22 | C23 | H23 | 47.7° | 21.3° |
| H94 | C22 | C23 | H93 | 48.6° | 23.7° |
| H94 | C22 | C23 | H23 | 74.8° | 99.9° |
| H24 | C24 | C27 | H27 | 49.2° | 156.4° |
| H24 | C24 | C9 | H91 | 52.8° | 20.9° |
| H24 | C24 | C9 | H92 | 69.8° | 143.1° |
| H5A | C24 | C27 | H27 | 173.1° | 33.6° |
| H5A | C24 | C9 | H91 | 176.7° | 101.9° |
| H5A | C24 | C9 | H92 | 54.1° | 20.3° |
| H29 | C29 | C30 | H30 | 73.4° | 100.9° |
| H29 | C29 | C30 | H36 | 50.3° | 20.3° |
| H29 | C29 | C34 | H38 | 53.1° | 39.8° |
| H37 | C29 | C30 | H30 | 50.1° | 22.5° |
| H37 | C29 | C30 | H36 | 173.8° | 143.7° |
| H37 | C29 | C34 | H38 | 176.6° | 163.4° |
| H34 | C33 | H33 | H35 | 120.0° | 120.0° |
| H38 | C34 | C35 | H49 | 159.5° | 172.1° |
| H38 | C34 | C47 | H47 | 94.0° | 98.8° |
| H10 | C10 | C9 | H91 | 34.8° | 118.8° |
| H10 | C10 | C9 | H92 | 87.8° | 3.4° |
| H12 | C12 | C13 | H2A | 179.6° | 174.1° |
| H12 | C12 | C13 | H13 | 60.3° | 65.9° |
| H12 | C12 | N4 | H43 | 168.8° | 160.7° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| H18 | C18 | C19 | H19 | 0.5° | 0.3° |
| H93 | C23 | C8 | H8 | 178.7° | 163.9° |
| H23 | C23 | C8 | H8 | 55.3° | 40.2° |
| H27 | C27 | C48 | H48 | 67.5° | 56.4° |
| H47 | C47 | C48 | H48 | 0.4° | 2.6° |
| H7 | C7 | C8 | H8 | 82.2° | 99.0° |
