8T5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C48 | C23 | sing | 1.53Å | 1.51Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C23 | C8 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.48Å | 1.40Å | |
| C7 | C6 | doub | 1.25Å | 1.40Å | |
| C8 | C21 | sing | 1.52Å | 1.53Å | |
| O2 | C1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.40Å | |
| C49 | N2 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.48Å | 1.41Å | |
| O7 | C25 | doub | 1.21Å | 1.23Å | |
| C21 | C25 | sing | 1.48Å | 1.39Å | |
| C21 | N2 | sing | 1.47Å | 1.48Å | |
| C25 | N1 | sing | 1.32Å | 1.32Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.48Å | |
| N1 | C5 | sing | 1.46Å | 1.48Å | |
| N1 | C2 | sing | 1.48Å | 1.46Å | |
| N2 | C20 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C20 | C10 | sing | 1.51Å | 1.40Å | |
| C20 | O6 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C9 | C24 | sing | 1.56Å | 1.49Å | |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | C27 | sing | 1.55Å | 1.51Å | |
| N3 | C27 | sing | 1.48Å | 1.45Å | |
| N3 | C31 | sing | 1.35Å | 1.32Å | |
| O3 | C31 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.50Å | 1.38Å | |
| C31 | C35 | sing | 1.51Å | 1.40Å | |
| O4 | C11 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.41Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | doub | 1.30Å | 1.39Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C26 | sing | 1.50Å | 1.39Å | |
| C35 | N5 | sing | 1.47Å | 1.45Å | |
| C35 | C34 | sing | 1.54Å | 1.53Å | |
| C11 | N5 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| N5 | C30 | sing | 1.47Å | 1.46Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| C34 | C29 | sing | 1.55Å | 1.44Å | |
| C15 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.72Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C32 | sing | 1.35Å | 1.33Å | |
| C30 | C29 | sing | 1.55Å | 1.49Å | |
| C32 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | O5 | doub | 1.21Å | 1.23Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H2A | 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 | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H93 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H4A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| 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 | 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 | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H94 | sing | 1.09Å | 1.10Å | |
| C48 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H95 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.1° | 120.0° |
| O1 | C1 | C2 | 117.5° | 120.0° |
| C23 | C48 | C49 | 109.6° | 108.9° |
| C48 | C23 | C8 | 110.4° | 109.9° |
| C48 | C23 | H93 | 109.3° | 109.4° |
| C48 | C23 | H23 | 109.2° | 109.3° |
| C23 | C48 | H94 | 109.5° | 109.5° |
| C23 | C48 | H48 | 109.4° | 109.5° |
| C48 | C49 | N2 | 117.7° | 108.3° |
| C49 | C48 | H94 | 109.4° | 109.6° |
| C49 | C48 | H48 | 109.5° | 109.6° |
| C48 | C49 | H49 | 107.4° | 109.7° |
| C48 | C49 | H95 | 107.4° | 109.7° |
| C23 | C8 | C7 | 111.7° | 109.7° |
| C23 | C8 | C21 | 107.1° | 110.4° |
| C23 | C8 | H8 | 109.3° | 107.5° |
| C8 | C23 | H93 | 109.2° | 109.4° |
| C8 | C23 | H23 | 109.3° | 109.4° |
| C8 | C7 | C6 | 130.0° | 132.5° |
| C7 | C8 | C21 | 108.9° | 112.8° |
| C8 | C7 | H7 | 115.0° | 113.7° |
| C7 | C8 | H8 | 110.8° | 108.1° |
| C7 | C6 | C5 | 130.9° | 134.0° |
| C7 | C6 | H6 | 114.5° | 113.0° |
| C6 | C7 | H7 | 115.0° | 113.8° |
| C8 | C21 | C25 | 108.2° | 113.5° |
| C8 | C21 | N2 | 113.5° | 110.0° |
| C21 | C8 | H8 | 109.0° | 108.1° |
| C8 | C21 | H21 | 107.6° | 108.1° |
| O2 | C1 | C2 | 117.3° | 120.0° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C1 | C2 | N1 | 110.1° | 109.8° |
| C1 | C2 | C3 | 114.1° | 109.8° |
| C1 | C2 | H22 | 111.8° | 109.8° |
| C49 | N2 | C21 | 118.2° | 119.2° |
| C49 | N2 | C20 | 123.8° | 120.4° |
| N2 | C49 | H49 | 107.4° | 109.7° |
| N2 | C49 | H95 | 107.3° | 109.6° |
| C6 | C5 | C4 | 108.2° | 108.5° |
| C6 | C5 | N1 | 114.2° | 115.2° |
| C6 | C5 | H5 | 110.9° | 109.3° |
| C5 | C6 | H6 | 114.5° | 113.0° |
| O7 | C25 | C21 | 119.5° | 114.5° |
| O7 | C25 | N1 | 116.7° | 114.7° |
| C25 | C21 | N2 | 109.8° | 109.8° |
| C21 | C25 | N1 | 123.7° | 130.8° |
| C25 | C21 | H21 | 109.4° | 107.7° |
| C21 | N2 | C20 | 117.9° | 120.4° |
| N2 | C21 | H21 | 108.2° | 107.4° |
| C25 | N1 | C5 | 123.5° | 130.6° |
| C25 | N1 | C2 | 129.0° | 122.9° |
| C5 | C4 | C3 | 95.0° | 103.3° |
| C4 | C5 | N1 | 104.1° | 105.2° |
| C4 | C5 | H5 | 109.2° | 109.3° |
| C5 | C4 | H41 | 113.0° | 110.7° |
| C5 | C4 | H42 | 112.9° | 110.7° |
| C4 | C3 | C2 | 101.0° | 105.1° |
| C4 | C3 | H32 | 111.5° | 110.3° |
| C4 | C3 | H31 | 111.5° | 110.4° |
| C3 | C4 | H41 | 113.0° | 110.7° |
| C3 | C4 | H42 | 113.0° | 110.6° |
| C5 | N1 | C2 | 107.4° | 106.6° |
| N1 | C5 | H5 | 109.9° | 109.3° |
| N1 | C2 | C3 | 99.6° | 107.8° |
| N1 | C2 | H22 | 110.8° | 109.8° |
| N2 | C20 | C10 | 119.5° | 120.0° |
| N2 | C20 | O6 | 121.3° | 120.0° |
| C3 | C2 | H22 | 109.8° | 109.8° |
| C2 | C3 | H32 | 111.5° | 110.3° |
| C2 | C3 | H31 | 111.6° | 110.3° |
| C10 | C20 | O6 | 118.9° | 120.0° |
| C20 | C10 | C9 | 107.0° | 110.1° |
| C20 | C10 | N3 | 110.8° | 109.9° |
| C20 | C10 | H10 | 113.5° | 109.9° |
| C10 | C9 | C24 | 101.5° | 102.7° |
| C9 | C10 | N3 | 100.8° | 107.0° |
| C9 | C10 | H10 | 111.6° | 110.0° |
| C10 | C9 | H92 | 111.4° | 110.8° |
| C10 | C9 | H91 | 111.4° | 110.7° |
| C9 | C24 | C27 | 92.3° | 101.0° |
| C9 | C24 | H24 | 113.6° | 111.1° |
| C9 | C24 | H4A | 113.6° | 111.1° |
| C24 | C9 | H92 | 111.4° | 110.8° |
| C24 | C9 | H91 | 111.4° | 110.8° |
| C10 | N3 | C27 | 106.6° | 108.7° |
| C10 | N3 | C31 | 130.3° | 127.7° |
| N3 | C10 | H10 | 112.4° | 109.9° |
| C24 | C27 | N3 | 101.4° | 104.4° |
| C24 | C27 | C28 | 112.2° | 110.6° |
| C27 | C24 | H24 | 113.6° | 111.1° |
| C27 | C24 | H4A | 113.6° | 111.1° |
| C24 | C27 | H27 | 109.7° | 110.7° |
| C27 | N3 | C31 | 123.0° | 123.6° |
| N3 | C27 | C28 | 110.8° | 108.9° |
| N3 | C27 | H27 | 110.6° | 111.3° |
| N3 | C31 | O3 | 118.7° | 120.5° |
| N3 | C31 | C35 | 119.6° | 118.9° |
| O3 | C31 | C35 | 121.5° | 120.6° |
| C27 | C28 | C26 | 120.2° | 121.3° |
| C28 | C27 | H27 | 111.7° | 110.8° |
| C27 | C28 | H28 | 119.9° | 119.3° |
| C31 | C35 | C26 | 112.5° | 111.2° |
| C31 | C35 | N5 | 113.1° | 109.7° |
| C31 | C35 | C34 | 105.9° | 109.1° |
| O4 | C11 | N5 | 123.5° | 120.0° |
| O4 | C11 | C12 | 120.4° | 120.0° |
| C14 | C13 | C12 | 113.7° | 109.5° |
| C13 | C14 | C16 | 118.8° | 120.0° |
| C13 | C14 | C15 | 123.5° | 120.0° |
| C14 | C13 | H13 | 108.4° | 109.4° |
| C14 | C13 | H2A | 108.4° | 109.5° |
| C13 | C12 | C11 | 106.9° | 109.5° |
| C13 | C12 | N4 | 112.5° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.5° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C12 | C13 | H2A | 108.4° | 109.5° |
| C14 | C16 | C17 | 120.1° | 120.0° |
| C16 | C14 | C15 | 117.6° | 120.0° |
| C14 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C18 | 122.3° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 118.8° | 119.9° |
| C28 | C26 | C35 | 121.5° | 123.2° |
| C28 | C26 | H26 | 119.2° | 118.4° |
| C26 | C28 | H28 | 119.9° | 119.3° |
| C14 | C15 | C19 | 122.1° | 120.0° |
| C14 | C15 | CL | 119.7° | 120.0° |
| C17 | C18 | C19 | 117.7° | 120.0° |
| C18 | C17 | H17 | 118.8° | 120.0° |
| C17 | C18 | H18 | 121.2° | 120.0° |
| C26 | C35 | N5 | 106.1° | 110.0° |
| C26 | C35 | C34 | 116.6° | 109.4° |
| C35 | C26 | H26 | 119.3° | 118.4° |
| N5 | C35 | C34 | 102.3° | 107.3° |
| C35 | N5 | C11 | 122.2° | 125.6° |
| C35 | N5 | C30 | 106.4° | 108.7° |
| C35 | C34 | C29 | 99.1° | 102.9° |
| C35 | C34 | H38 | 112.0° | 110.8° |
| C35 | C34 | H39 | 112.0° | 110.9° |
| N5 | C11 | C12 | 116.0° | 120.0° |
| C11 | N5 | C30 | 131.4° | 125.7° |
| C11 | C12 | N4 | 108.3° | 109.5° |
| C11 | C12 | H12 | 109.5° | 109.5° |
| N5 | C30 | C29 | 101.0° | 104.8° |
| N5 | C30 | H36 | 111.5° | 110.4° |
| N5 | C30 | H30 | 111.5° | 110.4° |
| C12 | N4 | C32 | 120.4° | 120.0° |
| C12 | N4 | H43 | 119.8° | 120.0° |
| N4 | C12 | H12 | 110.2° | 109.4° |
| C34 | C29 | C30 | 97.3° | 101.6° |
| C34 | C29 | H29 | 112.4° | 111.0° |
| C34 | C29 | H37 | 112.4° | 111.1° |
| C29 | C34 | H38 | 112.0° | 110.7° |
| C29 | C34 | H39 | 112.0° | 110.7° |
| C19 | C15 | CL | 118.3° | 120.0° |
| C15 | C19 | C18 | 120.2° | 120.0° |
| C15 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | H18 | 121.1° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| N4 | C32 | C33 | 115.1° | 120.0° |
| N4 | C32 | O5 | 124.9° | 120.0° |
| C32 | N4 | H43 | 119.8° | 120.0° |
| C30 | C29 | H29 | 112.4° | 110.9° |
| C30 | C29 | H37 | 112.4° | 111.0° |
| C29 | C30 | H36 | 111.5° | 110.4° |
| C29 | C30 | H30 | 111.6° | 110.4° |
| C33 | C32 | O5 | 120.0° | 120.0° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H35 | 109.5° | 109.4° |
| H32 | C3 | H31 | 109.5° | 110.3° |
| H13 | C13 | H2A | 109.5° | 109.4° |
| H93 | C23 | H23 | 109.4° | 109.4° |
| H24 | C24 | H4A | 109.5° | 111.0° |
| H29 | C29 | H37 | 109.5° | 110.9° |
| H36 | C30 | H30 | 109.5° | 110.3° |
| H34 | C33 | H33 | 109.4° | 109.5° |
| H34 | C33 | H35 | 109.4° | 109.4° |
| H33 | C33 | H35 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.4° | 110.7° |
| H41 | C4 | H42 | 109.5° | 110.7° |
| H94 | C48 | H48 | 109.5° | 109.7° |
| H49 | C49 | H95 | 109.5° | 109.7° |
| H92 | C9 | H91 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 175.3° | 180.0° |
| O1 | C1 | C2 | N1 | 15.7° | 0.0° |
| O1 | C1 | C2 | C3 | 95.3° | 118.4° |
| O1 | C1 | C2 | H22 | 139.4° | 120.8° |
| O1 | C1 | O2 | H1 | 0.0° | 0.0° |
| C23 | C48 | C49 | H94 | 120.0° | 119.8° |
| C23 | C48 | C49 | H48 | 120.0° | 119.8° |
| C48 | C23 | C8 | H93 | 120.2° | 120.1° |
| C48 | C23 | C8 | H23 | 120.1° | 120.0° |
| C48 | C23 | C8 | C7 | 168.6° | 175.8° |
| C48 | C23 | C8 | C21 | 72.2° | 59.2° |
| C23 | C48 | C49 | N2 | 6.6° | 56.1° |
| C48 | C23 | C8 | H8 | 45.7° | 58.5° |
| C48 | C23 | H93 | H23 | 119.6° | 119.7° |
| C23 | C48 | H94 | H48 | 119.9° | 120.2° |
| C23 | C48 | C49 | H49 | 114.5° | 175.8° |
| C23 | C48 | C49 | H95 | 127.8° | 63.6° |
| C49 | C48 | C23 | C8 | 47.6° | 61.8° |
| C48 | C49 | N2 | H49 | 121.2° | 119.7° |
| C48 | C49 | N2 | H95 | 121.2° | 119.7° |
| C48 | C49 | N2 | C21 | 38.4° | 53.4° |
| C48 | C49 | N2 | C20 | 138.7° | 126.6° |
| C49 | C48 | C23 | H93 | 72.6° | 178.1° |
| C49 | C48 | C23 | H23 | 167.7° | 58.4° |
| C49 | C48 | H94 | H48 | 119.9° | 120.3° |
| C48 | C49 | H49 | H95 | 116.3° | 120.6° |
| C23 | C8 | C7 | C21 | 118.1° | 123.5° |
| C23 | C8 | C7 | H8 | 122.1° | 117.0° |
| C23 | C8 | C7 | C6 | 145.3° | 164.0° |
| C23 | C8 | C21 | H8 | 118.1° | 117.3° |
| C23 | C8 | C21 | C25 | 161.5° | 174.5° |
| C23 | C8 | C21 | N2 | 39.3° | 50.9° |
| C23 | C8 | C7 | H7 | 34.7° | 16.1° |
| C23 | C8 | C21 | H21 | 80.4° | 66.1° |
| C8 | C23 | H93 | H23 | 119.6° | 119.8° |
| C8 | C23 | C48 | H94 | 72.4° | 58.1° |
| C8 | C23 | C48 | H48 | 167.6° | 178.4° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C7 | C8 | C21 | H8 | 121.0° | 119.5° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C8 | C21 | C25 | 77.6° | 62.4° |
| C7 | C8 | C21 | N2 | 160.3° | 174.1° |
| C8 | C7 | C6 | H6 | 179.7° | 180.0° |
| C7 | C8 | C21 | H21 | 40.6° | 57.1° |
| C7 | C8 | C23 | H93 | 71.2° | 55.7° |
| C7 | C8 | C23 | H23 | 48.5° | 64.1° |
| C6 | C7 | C8 | C21 | 27.2° | 40.4° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 141.3° | 117.2° |
| C7 | C6 | C5 | N1 | 25.9° | 0.3° |
| C7 | C6 | C5 | H5 | 98.9° | 123.7° |
| C6 | C7 | C8 | H8 | 92.7° | 79.1° |
| C8 | C21 | N2 | C49 | 13.2° | 50.9° |
| C8 | C21 | C25 | O7 | 103.2° | 141.5° |
| C8 | C21 | C25 | N2 | 124.4° | 123.6° |
| C8 | C21 | C25 | H21 | 117.0° | 119.7° |
| C8 | C21 | N2 | H21 | 119.4° | 117.5° |
| C8 | C21 | C25 | N1 | 74.8° | 37.6° |
| C8 | C21 | N2 | C20 | 164.1° | 129.1° |
| C21 | C8 | C7 | H7 | 152.8° | 139.6° |
| C21 | C8 | C23 | H93 | 48.0° | 179.3° |
| C21 | C8 | C23 | H23 | 167.7° | 60.8° |
| O2 | C1 | C2 | N1 | 160.0° | 180.0° |
| O2 | C1 | C2 | C3 | 89.0° | 61.6° |
| O2 | C1 | C2 | H22 | 36.3° | 59.2° |
| C1 | C2 | N1 | C25 | 80.2° | 42.1° |
| C1 | C2 | C3 | C4 | 69.2° | 118.4° |
| C1 | C2 | N1 | C5 | 101.4° | 140.1° |
| C1 | C2 | N1 | C3 | 120.2° | 119.6° |
| C1 | C2 | N1 | H22 | 124.2° | 120.8° |
| C1 | C2 | C3 | H22 | 126.4° | 120.9° |
| C1 | C2 | C3 | H32 | 172.2° | 0.4° |
| C1 | C2 | C3 | H31 | 49.4° | 122.6° |
| C2 | C1 | O2 | H1 | 175.3° | 180.0° |
| C49 | N2 | C21 | C25 | 108.0° | 176.6° |
| C49 | N2 | C21 | C20 | 177.3° | 180.0° |
| C49 | N2 | C20 | C10 | 4.6° | 45.4° |
| C49 | N2 | C20 | O6 | 179.7° | 134.6° |
| C49 | N2 | C21 | H21 | 132.6° | 66.6° |
| N2 | C49 | C48 | H94 | 126.7° | 63.7° |
| N2 | C49 | C48 | H48 | 113.4° | 175.9° |
| N2 | C49 | H49 | H95 | 116.3° | 120.5° |
| C6 | C5 | N1 | C25 | 48.4° | 29.2° |
| C6 | C5 | C4 | N1 | 121.9° | 123.7° |
| C6 | C5 | C4 | H5 | 120.8° | 119.1° |
| C6 | C5 | C4 | C3 | 165.5° | 157.6° |
| C6 | C5 | N1 | H5 | 125.3° | 123.4° |
| C6 | C5 | N1 | C2 | 133.1° | 153.2° |
| C5 | C6 | C7 | H7 | 179.7° | 179.9° |
| C6 | C5 | C4 | H41 | 76.9° | 39.1° |
| C6 | C5 | C4 | H42 | 48.0° | 84.0° |
| O7 | C25 | C21 | N1 | 177.9° | 179.0° |
| O7 | C25 | C21 | N2 | 21.2° | 17.9° |
| O7 | C25 | N1 | C5 | 178.3° | 163.4° |
| O7 | C25 | N1 | C2 | 3.6° | 13.9° |
| O7 | C25 | C21 | H21 | 139.9° | 98.8° |
| C25 | C21 | N2 | H21 | 119.4° | 116.9° |
| C21 | C25 | N1 | C5 | 0.3° | 17.6° |
| C21 | C25 | N1 | C2 | 178.4° | 165.1° |
| C25 | C21 | N2 | C20 | 74.7° | 3.4° |
| C25 | C21 | C8 | H8 | 43.4° | 57.1° |
| N2 | C21 | C25 | N1 | 160.9° | 161.2° |
| C21 | N2 | C20 | C10 | 178.3° | 134.6° |
| C21 | N2 | C20 | O6 | 3.2° | 45.4° |
| N2 | C21 | C8 | H8 | 78.7° | 66.4° |
| C21 | N2 | C49 | H49 | 82.8° | 173.1° |
| C21 | N2 | C49 | H95 | 159.6° | 66.3° |
| C25 | N1 | C5 | C4 | 166.3° | 148.5° |
| C25 | N1 | C5 | C2 | 178.5° | 177.6° |
| C25 | N1 | C2 | C3 | 159.6° | 161.7° |
| C25 | N1 | C2 | H22 | 44.0° | 78.8° |
| C25 | N1 | C5 | H5 | 76.9° | 94.3° |
| N1 | C25 | C21 | H21 | 42.2° | 82.1° |
| C5 | C4 | C3 | H41 | 117.5° | 118.5° |
| C5 | C4 | C3 | H42 | 117.5° | 118.5° |
| C4 | C5 | N1 | H5 | 116.8° | 117.2° |
| C4 | C5 | N1 | C2 | 15.2° | 33.9° |
| C5 | C4 | C3 | C2 | 55.7° | 20.8° |
| C5 | C4 | C3 | H32 | 62.9° | 139.7° |
| C5 | C4 | C3 | H31 | 174.4° | 98.1° |
| C4 | C5 | C6 | H6 | 38.7° | 62.8° |
| C5 | C4 | H41 | H42 | 126.8° | 123.1° |
| C3 | C4 | C5 | N1 | 43.6° | 33.8° |
| C4 | C3 | C2 | N1 | 48.1° | 1.2° |
| C4 | C3 | C2 | H32 | 118.6° | 118.9° |
| C4 | C3 | C2 | H31 | 118.6° | 119.0° |
| C4 | C3 | C2 | H22 | 164.4° | 120.7° |
| C4 | C3 | H32 | H31 | 123.9° | 122.3° |
| C3 | C4 | C5 | H5 | 73.7° | 83.4° |
| C3 | C4 | H41 | H42 | 126.8° | 123.0° |
| C5 | N1 | C2 | C3 | 18.8° | 20.5° |
| C5 | N1 | C2 | H22 | 134.4° | 99.1° |
| N1 | C5 | C6 | H6 | 154.1° | 179.7° |
| N1 | C5 | C4 | H41 | 161.2° | 84.6° |
| N1 | C5 | C4 | H42 | 73.9° | 152.3° |
| N1 | C2 | C3 | H22 | 116.3° | 119.6° |
| N1 | C2 | C3 | H32 | 70.6° | 120.0° |
| N1 | C2 | C3 | H31 | 166.7° | 117.9° |
| C2 | N1 | C5 | H5 | 101.6° | 83.4° |
| N2 | C20 | C10 | O6 | 175.2° | 180.0° |
| N2 | C20 | C10 | C9 | 90.5° | 74.3° |
| N2 | C20 | C10 | N3 | 160.5° | 168.1° |
| N2 | C20 | C10 | H10 | 33.0° | 47.0° |
| C20 | N2 | C21 | H21 | 44.7° | 113.4° |
| C20 | N2 | C49 | H49 | 100.1° | 6.9° |
| C20 | N2 | C49 | H95 | 17.6° | 113.7° |
| C2 | C3 | H32 | H31 | 124.0° | 122.1° |
| C2 | C3 | C4 | H41 | 173.3° | 97.7° |
| C2 | C3 | C4 | H42 | 61.8° | 139.3° |
| C20 | C10 | C9 | N3 | 115.8° | 119.4° |
| C20 | C10 | C9 | H10 | 124.7° | 121.3° |
| C20 | C10 | C9 | C24 | 154.1° | 141.9° |
| C20 | C10 | N3 | H10 | 128.1° | 121.1° |
| C20 | C10 | N3 | C27 | 115.2° | 117.5° |
| C20 | C10 | N3 | C31 | 67.3° | 63.4° |
| C20 | C10 | C9 | H92 | 35.4° | 23.5° |
| C20 | C10 | C9 | H91 | 87.2° | 99.8° |
| O6 | C20 | C10 | C9 | 84.8° | 105.7° |
| O6 | C20 | C10 | N3 | 24.2° | 11.9° |
| O6 | C20 | C10 | H10 | 151.7° | 133.1° |
| C10 | C9 | C24 | H92 | 118.7° | 118.4° |
| C10 | C9 | C24 | H91 | 118.7° | 118.3° |
| C9 | C10 | N3 | H10 | 118.9° | 119.4° |
| C10 | C9 | C24 | C27 | 56.7° | 36.9° |
| C9 | C10 | N3 | C27 | 2.1° | 2.1° |
| C9 | C10 | N3 | C31 | 179.7° | 177.1° |
| C10 | C9 | C24 | H24 | 173.7° | 81.0° |
| C10 | C9 | C24 | H4A | 60.3° | 154.9° |
| C10 | C9 | H92 | H91 | 123.7° | 123.3° |
| C24 | C9 | C10 | N3 | 38.3° | 22.5° |
| C9 | C24 | C27 | H24 | 117.0° | 117.9° |
| C9 | C24 | C27 | H4A | 117.0° | 117.9° |
| C9 | C24 | C27 | N3 | 55.1° | 39.0° |
| C9 | C24 | C27 | C28 | 173.3° | 155.9° |
| C24 | C9 | C10 | H10 | 81.2° | 96.9° |
| C9 | C24 | H24 | H4A | 128.1° | 124.2° |
| C9 | C24 | C27 | H27 | 61.9° | 80.9° |
| C24 | C9 | H92 | H91 | 123.7° | 123.3° |
| C10 | N3 | C27 | C24 | 34.0° | 26.1° |
| C10 | N3 | C27 | C31 | 177.8° | 179.2° |
| C10 | N3 | C31 | O3 | 2.0° | 12.0° |
| C10 | N3 | C27 | C28 | 153.3° | 144.3° |
| C10 | N3 | C31 | C35 | 178.2° | 168.0° |
| C10 | N3 | C27 | H27 | 82.3° | 93.4° |
| N3 | C10 | C9 | H92 | 80.4° | 95.9° |
| N3 | C10 | C9 | H91 | 157.0° | 140.8° |
| C24 | C27 | N3 | C28 | 119.3° | 118.2° |
| C24 | C27 | N3 | H27 | 116.4° | 119.5° |
| C24 | C27 | N3 | C31 | 143.8° | 153.1° |
| C24 | C27 | C28 | H27 | 123.7° | 123.2° |
| C24 | C27 | C28 | C26 | 139.7° | 143.1° |
| C27 | C24 | H24 | H4A | 128.1° | 124.2° |
| C24 | C27 | C28 | H28 | 40.3° | 36.9° |
| C27 | C24 | C9 | H92 | 62.0° | 81.5° |
| C27 | C24 | C9 | H91 | 175.5° | 155.2° |
| C27 | N3 | C31 | O3 | 179.2° | 169.0° |
| N3 | C27 | C28 | H27 | 123.8° | 122.6° |
| C27 | N3 | C31 | C35 | 4.6° | 11.0° |
| N3 | C27 | C28 | C26 | 27.1° | 28.9° |
| C27 | N3 | C10 | H10 | 116.7° | 121.4° |
| N3 | C27 | C24 | H24 | 172.1° | 78.9° |
| N3 | C27 | C24 | H4A | 61.9° | 156.9° |
| N3 | C27 | C28 | H28 | 152.8° | 151.1° |
| N3 | C31 | O3 | C35 | 176.1° | 180.0° |
| C31 | N3 | C27 | C28 | 24.5° | 34.9° |
| N3 | C31 | C35 | C26 | 30.1° | 19.3° |
| N3 | C31 | C35 | N5 | 150.3° | 141.2° |
| N3 | C31 | C35 | C34 | 98.4° | 101.4° |
| C31 | N3 | C10 | H10 | 60.8° | 57.7° |
| C31 | N3 | C27 | H27 | 99.9° | 87.4° |
| O3 | C31 | C35 | C26 | 153.8° | 160.6° |
| O3 | C31 | C35 | N5 | 33.6° | 38.7° |
| O3 | C31 | C35 | C34 | 77.7° | 78.6° |
| C27 | C28 | C26 | H28 | 180.0° | 180.0° |
| C27 | C28 | C26 | C35 | 2.3° | 0.0° |
| C28 | C27 | C24 | H24 | 69.6° | 38.0° |
| C28 | C27 | C24 | H4A | 56.3° | 86.1° |
| C27 | C28 | C26 | H26 | 177.7° | 179.9° |
| C31 | C35 | C26 | C28 | 27.2° | 25.2° |
| C31 | C35 | C26 | N5 | 124.2° | 121.7° |
| C31 | C35 | C26 | C34 | 122.7° | 120.6° |
| C31 | C35 | N5 | C34 | 113.5° | 118.4° |
| C31 | C35 | N5 | C11 | 59.3° | 60.5° |
| C31 | C35 | N5 | C30 | 120.2° | 119.4° |
| C31 | C35 | C34 | C29 | 158.2° | 96.6° |
| C31 | C35 | C26 | H26 | 152.8° | 154.7° |
| C31 | C35 | C34 | H38 | 39.9° | 145.1° |
| C31 | C35 | C34 | H39 | 83.5° | 21.8° |
| O4 | C11 | C12 | C13 | 68.0° | 100.0° |
| O4 | C11 | N5 | C35 | 0.8° | 0.0° |
| O4 | C11 | N5 | C12 | 178.2° | 179.9° |
| O4 | C11 | N5 | C30 | 178.7° | 180.0° |
| O4 | C11 | C12 | N4 | 53.5° | 20.0° |
| O4 | C11 | C12 | H12 | 173.7° | 140.0° |
| C14 | C13 | C12 | H13 | 120.6° | 120.0° |
| C14 | C13 | C12 | H2A | 120.6° | 120.1° |
| C13 | C14 | C16 | C15 | 178.3° | 179.7° |
| C13 | C14 | C16 | C17 | 179.2° | 180.0° |
| C14 | C13 | C12 | C11 | 177.1° | 174.5° |
| C14 | C13 | C12 | N4 | 64.1° | 65.5° |
| C13 | C14 | C15 | C19 | 179.2° | 180.0° |
| C13 | C14 | C15 | CL | 1.3° | 0.0° |
| C14 | C13 | C12 | H12 | 58.7° | 54.5° |
| C14 | C13 | H13 | H2A | 118.1° | 119.9° |
| C13 | C14 | C16 | H16 | 0.8° | 0.0° |
| C12 | C13 | C14 | C16 | 103.6° | 81.7° |
| C12 | C13 | C14 | C15 | 78.2° | 98.6° |
| C13 | C12 | C11 | N5 | 110.3° | 80.0° |
| C13 | C12 | C11 | N4 | 121.5° | 120.0° |
| C13 | C12 | C11 | H12 | 118.4° | 120.0° |
| C13 | C12 | N4 | H12 | 122.3° | 120.0° |
| C13 | C12 | N4 | C32 | 129.1° | 58.0° |
| C13 | C12 | N4 | H43 | 50.9° | 121.9° |
| C12 | C13 | H13 | H2A | 118.1° | 120.0° |
| C14 | C16 | C17 | H16 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 1.0° | 0.0° |
| C16 | C14 | C15 | C19 | 0.9° | 0.3° |
| C16 | C14 | C15 | CL | 179.5° | 179.8° |
| C16 | C14 | C13 | H13 | 135.7° | 158.3° |
| C16 | C14 | C13 | H2A | 17.0° | 38.4° |
| C14 | C16 | C17 | H17 | 179.0° | 180.0° |
| C17 | C16 | C14 | C15 | 0.9° | 0.3° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.2° |
| C16 | C17 | C18 | H18 | 179.0° | 180.0° |
| C28 | C26 | C35 | H26 | 180.0° | 179.9° |
| C28 | C26 | C35 | N5 | 151.4° | 147.0° |
| C28 | C26 | C35 | C34 | 95.5° | 95.4° |
| C26 | C28 | C27 | H27 | 96.6° | 93.8° |
| C14 | C15 | C19 | CL | 179.5° | 179.9° |
| C14 | C15 | C19 | C18 | 1.0° | 0.1° |
| C15 | C14 | C13 | H13 | 42.5° | 21.4° |
| C15 | C14 | C13 | H2A | 161.2° | 141.3° |
| C15 | C14 | C16 | H16 | 179.1° | 179.7° |
| C14 | C15 | C19 | H19 | 179.0° | 179.9° |
| C17 | C18 | C19 | C15 | 1.0° | 0.2° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C18 | C17 | C16 | H16 | 179.1° | 179.9° |
| C17 | C18 | C19 | H19 | 179.1° | 179.8° |
| C26 | C35 | N5 | C34 | 122.7° | 119.0° |
| C26 | C35 | N5 | C11 | 64.5° | 62.1° |
| C26 | C35 | N5 | C30 | 116.0° | 118.0° |
| C26 | C35 | C34 | C29 | 75.8° | 141.6° |
| C35 | C26 | C28 | H28 | 177.7° | 180.0° |
| C26 | C35 | C34 | H38 | 166.0° | 23.2° |
| C26 | C35 | C34 | H39 | 42.5° | 100.0° |
| C35 | N5 | C11 | C30 | 179.4° | 180.0° |
| C35 | N5 | C11 | C12 | 178.9° | 180.0° |
| N5 | C35 | C34 | C29 | 39.5° | 22.2° |
| C35 | N5 | C30 | C29 | 27.3° | 24.1° |
| N5 | C35 | C26 | H26 | 28.6° | 32.9° |
| C35 | N5 | C30 | H36 | 145.9° | 142.9° |
| C35 | N5 | C30 | H30 | 91.3° | 94.8° |
| N5 | C35 | C34 | H38 | 78.8° | 96.1° |
| N5 | C35 | C34 | H39 | 157.8° | 140.6° |
| C34 | C35 | N5 | C11 | 172.8° | 179.0° |
| C34 | C35 | N5 | C30 | 6.7° | 1.0° |
| C35 | C34 | C29 | H38 | 118.3° | 118.4° |
| C35 | C34 | C29 | H39 | 118.3° | 118.5° |
| C35 | C34 | C29 | C30 | 55.7° | 35.5° |
| C34 | C35 | C26 | H26 | 84.5° | 84.7° |
| C35 | C34 | C29 | H29 | 173.7° | 153.5° |
| C35 | C34 | C29 | H37 | 62.2° | 82.6° |
| C35 | C34 | H38 | H39 | 124.8° | 123.4° |
| N5 | C11 | C12 | N4 | 128.3° | 160.0° |
| C11 | N5 | C30 | C29 | 153.2° | 155.9° |
| N5 | C11 | C12 | H12 | 8.1° | 40.1° |
| C11 | N5 | C30 | H36 | 34.6° | 37.0° |
| C11 | N5 | C30 | H30 | 88.2° | 85.2° |
| C12 | C11 | N5 | C30 | 0.5° | 0.0° |
| C11 | C12 | N4 | H12 | 119.8° | 120.0° |
| C11 | C12 | N4 | C32 | 113.0° | 62.1° |
| C11 | C12 | N4 | H43 | 67.0° | 118.0° |
| C11 | C12 | C13 | H13 | 56.5° | 65.5° |
| C11 | C12 | C13 | H2A | 62.3° | 54.5° |
| N5 | C30 | C29 | C34 | 52.2° | 37.0° |
| N5 | C30 | C29 | H36 | 118.6° | 118.8° |
| N5 | C30 | C29 | H30 | 118.6° | 118.9° |
| N5 | C30 | C29 | H29 | 170.2° | 155.1° |
| N5 | C30 | C29 | H37 | 65.7° | 81.2° |
| N5 | C30 | H36 | H30 | 123.9° | 122.3° |
| C12 | N4 | C32 | H43 | 180.0° | 179.9° |
| C12 | N4 | C32 | C33 | 179.5° | 180.0° |
| C12 | N4 | C32 | O5 | 0.2° | 0.1° |
| N4 | C12 | C13 | H13 | 175.3° | 54.5° |
| N4 | C12 | C13 | H2A | 56.5° | 174.5° |
| C34 | C29 | C30 | H29 | 118.0° | 118.1° |
| C34 | C29 | C30 | H37 | 117.9° | 118.2° |
| C34 | C29 | H29 | H37 | 125.7° | 124.0° |
| C34 | C29 | C30 | H36 | 170.8° | 155.9° |
| C34 | C29 | C30 | H30 | 66.4° | 81.9° |
| C29 | C34 | H38 | H39 | 124.9° | 123.1° |
| C15 | C19 | C18 | H19 | 180.0° | 180.0° |
| C15 | C19 | C18 | H18 | 179.0° | 180.0° |
| CL | C15 | C19 | C18 | 179.5° | 180.0° |
| CL | C15 | C19 | H19 | 0.5° | 0.0° |
| C19 | C18 | C17 | H17 | 179.1° | 179.8° |
| N4 | C32 | C33 | O5 | 179.4° | 179.9° |
| C32 | N4 | C12 | H12 | 6.8° | 177.9° |
| N4 | C32 | C33 | H34 | 179.4° | 59.9° |
| N4 | C32 | C33 | H33 | 60.6° | 180.0° |
| N4 | C32 | C33 | H35 | 59.4° | 60.0° |
| C30 | C29 | H29 | H37 | 125.7° | 123.8° |
| C29 | C30 | H36 | H30 | 124.0° | 122.3° |
| C30 | C29 | C34 | H38 | 62.6° | 82.9° |
| C30 | C29 | C34 | H39 | 174.0° | 154.0° |
| C33 | C32 | N4 | H43 | 0.5° | 0.1° |
| C32 | C33 | H34 | H33 | 120.0° | 120.1° |
| C32 | C33 | H34 | H35 | 120.0° | 119.9° |
| C32 | C33 | H33 | H35 | 120.0° | 120.0° |
| O5 | C32 | N4 | H43 | 179.8° | 180.0° |
| O5 | C32 | C33 | H34 | 0.0° | 120.0° |
| O5 | C32 | C33 | H33 | 120.0° | 0.1° |
| O5 | C32 | C33 | H35 | 120.0° | 120.1° |
| H22 | C2 | C3 | H32 | 45.8° | 120.4° |
| H22 | C2 | C3 | H31 | 77.0° | 1.7° |
| H32 | C3 | C4 | H41 | 54.6° | 21.2° |
| H32 | C3 | C4 | H42 | 179.6° | 101.9° |
| H31 | C3 | C4 | H41 | 68.1° | 143.4° |
| H31 | C3 | C4 | H42 | 56.8° | 20.3° |
| H43 | N4 | C12 | H12 | 173.2° | 2.0° |
| H5 | C5 | C6 | H6 | 81.1° | 56.3° |
| H5 | C5 | C4 | H41 | 43.9° | 158.1° |
| H5 | C5 | C4 | H42 | 168.8° | 35.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.0° |
| H7 | C7 | C8 | H8 | 87.3° | 100.9° |
| H8 | C8 | C21 | H21 | 161.5° | 176.6° |
| H8 | C8 | C23 | H93 | 165.9° | 61.6° |
| H8 | C8 | C23 | H23 | 74.5° | 178.6° |
| H10 | C10 | C9 | H92 | 160.1° | 144.8° |
| H10 | C10 | C9 | H91 | 37.5° | 21.4° |
| H12 | C12 | C13 | H13 | 62.0° | 174.5° |
| H12 | C12 | C13 | H2A | 179.3° | 65.6° |
| H16 | C16 | C17 | H17 | 0.9° | 0.0° |
| H17 | C17 | C18 | H18 | 1.0° | 0.0° |
| H18 | C18 | C19 | H19 | 1.0° | 0.0° |
| H93 | C23 | C48 | H94 | 167.4° | 62.0° |
| H93 | C23 | C48 | H48 | 47.5° | 58.3° |
| H23 | C23 | C48 | H94 | 47.7° | 178.2° |
| H23 | C23 | C48 | H48 | 72.2° | 61.5° |
| H24 | C24 | C27 | H27 | 55.1° | 161.2° |
| H24 | C24 | C9 | H92 | 55.0° | 160.6° |
| H24 | C24 | C9 | H91 | 67.5° | 37.2° |
| H4A | C24 | C27 | H27 | 178.9° | 37.1° |
| H4A | C24 | C9 | H92 | 179.0° | 36.5° |
| H4A | C24 | C9 | H91 | 58.5° | 86.9° |
| H26 | C26 | C28 | H28 | 2.3° | 0.1° |
| H27 | C27 | C28 | H28 | 83.4° | 86.2° |
| H29 | C29 | C30 | H36 | 71.2° | 86.1° |
| H29 | C29 | C30 | H30 | 51.6° | 36.2° |
| H29 | C29 | C34 | H38 | 55.4° | 35.2° |
| H29 | C29 | C34 | H39 | 68.0° | 88.0° |
| H37 | C29 | C30 | H36 | 52.9° | 37.7° |
| H37 | C29 | C30 | H30 | 175.7° | 159.9° |
| H37 | C29 | C34 | H38 | 179.5° | 159.0° |
| H37 | C29 | C34 | H39 | 56.0° | 35.9° |
| H34 | C33 | H33 | H35 | 120.0° | 120.0° |
| H94 | C48 | C49 | H49 | 5.5° | 56.0° |
| H94 | C48 | C49 | H95 | 112.2° | 176.6° |
| H48 | C48 | C49 | H49 | 125.4° | 64.4° |
| H48 | C48 | C49 | H95 | 7.8° | 56.2° |
