8TB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.26Å | 1.41Å | |
| C7 | C8 | sing | 1.47Å | 1.42Å | |
| C6 | C5 | sing | 1.48Å | 1.43Å | |
| C49 | C4 | sing | 1.53Å | 1.56Å | |
| C23 | C8 | sing | 1.54Å | 1.52Å | |
| C23 | C22 | sing | 1.55Å | 1.47Å | |
| C8 | C21 | sing | 1.52Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C5 | N1 | sing | 1.46Å | 1.52Å | |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C22 | N2 | sing | 1.48Å | 1.47Å | |
| C21 | C25 | sing | 1.46Å | 1.41Å | |
| C21 | N2 | sing | 1.46Å | 1.48Å | |
| N1 | C25 | sing | 1.33Å | 1.31Å | |
| N1 | C2 | sing | 1.48Å | 1.50Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.44Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C25 | O7 | doub | 1.21Å | 1.25Å | |
| N2 | C20 | sing | 1.35Å | 1.35Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.45Å | |
| C15 | CL | sing | 1.74Å | 1.74Å | |
| C20 | O6 | doub | 1.21Å | 1.24Å | |
| C20 | C10 | sing | 1.51Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| O3 | C31 | doub | 1.21Å | 1.26Å | |
| C10 | C9 | sing | 1.55Å | 1.59Å | |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| C9 | C24 | sing | 1.55Å | 1.50Å | |
| C31 | N3 | sing | 1.35Å | 1.32Å | |
| C31 | C35 | sing | 1.51Å | 1.43Å | |
| N3 | C27 | sing | 1.48Å | 1.46Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C12 | N4 | sing | 1.46Å | 1.46Å | |
| O4 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N5 | sing | 1.35Å | 1.34Å | |
| N4 | C32 | sing | 1.35Å | 1.34Å | |
| C24 | C27 | sing | 1.55Å | 1.53Å | |
| N5 | C30 | sing | 1.47Å | 1.45Å | |
| N5 | C35 | sing | 1.47Å | 1.52Å | |
| C29 | C30 | sing | 1.55Å | 1.54Å | |
| C29 | C34 | sing | 1.55Å | 1.43Å | |
| C35 | C34 | sing | 1.54Å | 1.55Å | |
| C35 | C26 | sing | 1.50Å | 1.41Å | |
| C27 | C28 | sing | 1.50Å | 1.41Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | O5 | doub | 1.21Å | 1.23Å | |
| C26 | C28 | doub | 1.30Å | 1.39Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H2A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H96 | sing | 1.09Å | 1.10Å | |
| C22 | H97 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H95 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H4A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | 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 | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | 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 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C49 | H94 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H93 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 127.8° | 130.6° |
| C7 | C6 | C5 | 129.5° | 133.4° |
| C7 | C6 | H6 | 115.3° | 113.3° |
| C6 | C7 | H7 | 116.1° | 114.7° |
| C7 | C8 | C23 | 114.7° | 115.1° |
| C7 | C8 | C21 | 110.4° | 113.9° |
| C8 | C7 | H7 | 116.1° | 114.7° |
| C7 | C8 | H8 | 110.4° | 108.4° |
| C6 | C5 | C4 | 111.7° | 108.2° |
| C6 | C5 | N1 | 114.1° | 116.4° |
| C6 | C5 | H5 | 110.5° | 108.3° |
| C5 | C6 | H6 | 115.2° | 113.3° |
| C49 | C4 | C5 | 111.6° | 110.2° |
| C49 | C4 | C3 | 113.1° | 110.3° |
| C49 | C4 | H41 | 110.2° | 110.2° |
| C4 | C49 | H94 | 109.5° | 109.5° |
| C4 | C49 | H49 | 109.5° | 109.4° |
| C4 | C49 | H93 | 109.5° | 109.4° |
| C8 | C23 | C22 | 99.1° | 102.2° |
| C23 | C8 | C21 | 103.0° | 101.8° |
| C8 | C23 | H23 | 112.0° | 110.9° |
| C8 | C23 | H95 | 112.0° | 110.8° |
| C23 | C8 | H8 | 109.0° | 108.7° |
| C23 | C22 | N2 | 107.5° | 107.2° |
| C23 | C22 | H96 | 110.0° | 109.9° |
| C23 | C22 | H97 | 110.0° | 110.0° |
| C22 | C23 | H23 | 112.0° | 110.9° |
| C22 | C23 | H95 | 112.0° | 110.8° |
| C8 | C21 | C25 | 106.6° | 114.7° |
| C8 | C21 | N2 | 104.0° | 105.9° |
| C8 | C21 | H21 | 109.4° | 105.2° |
| C21 | C8 | H8 | 108.8° | 108.6° |
| C5 | C4 | C3 | 100.3° | 105.6° |
| C4 | C5 | N1 | 101.6° | 106.4° |
| C5 | C4 | H41 | 110.7° | 110.2° |
| C4 | C5 | H5 | 109.2° | 108.6° |
| C4 | C3 | C2 | 100.8° | 105.0° |
| C4 | C3 | H31 | 111.6° | 110.4° |
| C4 | C3 | H32 | 111.6° | 110.4° |
| C3 | C4 | H41 | 110.7° | 110.2° |
| C5 | N1 | C25 | 124.9° | 130.6° |
| C5 | N1 | C2 | 110.0° | 106.2° |
| N1 | C5 | H5 | 109.3° | 108.7° |
| O2 | C1 | C2 | 121.4° | 120.0° |
| O2 | C1 | O1 | 122.3° | 120.0° |
| C22 | N2 | C21 | 106.5° | 107.5° |
| C22 | N2 | C20 | 128.9° | 126.2° |
| N2 | C22 | H96 | 110.0° | 109.9° |
| N2 | C22 | H97 | 110.0° | 109.9° |
| C25 | C21 | N2 | 115.2° | 117.7° |
| C21 | C25 | N1 | 120.6° | 128.0° |
| C21 | C25 | O7 | 122.2° | 116.0° |
| C25 | C21 | H21 | 111.1° | 106.3° |
| C21 | N2 | C20 | 124.5° | 126.3° |
| N2 | C21 | H21 | 110.1° | 106.1° |
| C25 | N1 | C2 | 125.0° | 123.2° |
| N1 | C25 | O7 | 116.8° | 116.0° |
| N1 | C2 | C3 | 99.8° | 105.8° |
| N1 | C2 | C1 | 114.8° | 110.2° |
| N1 | C2 | H22 | 108.4° | 110.2° |
| C3 | C2 | C1 | 116.1° | 110.2° |
| C3 | C2 | H22 | 108.0° | 110.3° |
| C2 | C3 | H31 | 111.6° | 110.3° |
| C2 | C3 | H32 | 111.6° | 110.3° |
| C2 | C1 | O1 | 116.1° | 120.0° |
| C1 | C2 | H22 | 109.1° | 110.2° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| N2 | C20 | O6 | 119.3° | 120.0° |
| N2 | C20 | C10 | 120.1° | 120.0° |
| C18 | C17 | C16 | 119.5° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C18 | C17 | H17 | 120.3° | 119.9° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C17 | C16 | C14 | 122.3° | 120.1° |
| C16 | C17 | H17 | 120.2° | 120.1° |
| C17 | C16 | H16 | 118.9° | 119.9° |
| C18 | C19 | C15 | 119.5° | 119.9° |
| C18 | C19 | H19 | 120.3° | 120.0° |
| C19 | C18 | H18 | 120.1° | 119.9° |
| C16 | C14 | C15 | 117.1° | 119.9° |
| C16 | C14 | C13 | 120.9° | 120.1° |
| C14 | C16 | H16 | 118.8° | 120.0° |
| C19 | C15 | C14 | 121.6° | 120.0° |
| C19 | C15 | CL | 117.3° | 120.0° |
| C15 | C19 | H19 | 120.3° | 120.1° |
| C15 | C14 | C13 | 122.0° | 120.0° |
| C14 | C15 | CL | 121.1° | 120.0° |
| C14 | C13 | C12 | 112.3° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H2A | 108.8° | 109.5° |
| O6 | C20 | C10 | 120.3° | 120.0° |
| C20 | C10 | C9 | 107.9° | 109.9° |
| C20 | C10 | N3 | 113.8° | 109.9° |
| C20 | C10 | H10 | 111.8° | 109.9° |
| C13 | C12 | C11 | 107.8° | 109.5° |
| C13 | C12 | N4 | 110.6° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.4° |
| C12 | C13 | H2A | 108.8° | 109.5° |
| O3 | C31 | N3 | 117.7° | 120.5° |
| O3 | C31 | C35 | 124.1° | 120.5° |
| C9 | C10 | N3 | 102.0° | 107.0° |
| C10 | C9 | C24 | 99.8° | 102.7° |
| C9 | C10 | H10 | 109.5° | 110.0° |
| C10 | C9 | H91 | 111.8° | 110.7° |
| C10 | C9 | H92 | 111.8° | 110.8° |
| C10 | N3 | C31 | 124.3° | 127.7° |
| C10 | N3 | C27 | 109.1° | 108.6° |
| N3 | C10 | H10 | 111.3° | 110.1° |
| C9 | C24 | C27 | 97.2° | 101.0° |
| C9 | C24 | H24 | 112.4° | 111.1° |
| C9 | C24 | H4A | 112.4° | 111.2° |
| C24 | C9 | H91 | 111.8° | 110.7° |
| C24 | C9 | H92 | 111.8° | 110.8° |
| N3 | C31 | C35 | 118.2° | 119.0° |
| C31 | N3 | C27 | 126.6° | 123.7° |
| C31 | C35 | N5 | 109.4° | 109.7° |
| C31 | C35 | C34 | 112.8° | 109.2° |
| C31 | C35 | C26 | 112.3° | 111.1° |
| N3 | C27 | C24 | 99.9° | 104.4° |
| N3 | C27 | C28 | 109.0° | 108.9° |
| N3 | C27 | H27 | 111.2° | 111.2° |
| C11 | C12 | N4 | 109.2° | 109.5° |
| C12 | C11 | O4 | 121.0° | 119.9° |
| C12 | C11 | N5 | 116.3° | 120.0° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| C12 | N4 | C32 | 121.9° | 120.0° |
| N4 | C12 | H12 | 110.6° | 109.5° |
| C12 | N4 | H42 | 119.1° | 120.0° |
| O4 | C11 | N5 | 122.5° | 120.1° |
| C11 | N5 | C30 | 130.3° | 125.7° |
| C11 | N5 | C35 | 120.1° | 125.6° |
| N4 | C32 | C33 | 114.1° | 120.0° |
| N4 | C32 | O5 | 124.0° | 119.9° |
| C32 | N4 | H42 | 119.1° | 120.0° |
| C24 | C27 | C28 | 114.2° | 110.6° |
| C27 | C24 | H24 | 112.4° | 111.1° |
| C27 | C24 | H4A | 112.5° | 111.1° |
| C24 | C27 | H27 | 110.0° | 110.8° |
| C30 | N5 | C35 | 109.5° | 108.7° |
| N5 | C30 | C29 | 100.6° | 104.8° |
| N5 | C30 | H30 | 111.6° | 110.3° |
| N5 | C30 | H36 | 111.7° | 110.5° |
| N5 | C35 | C34 | 102.1° | 107.3° |
| N5 | C35 | C26 | 112.7° | 110.0° |
| C30 | C29 | C34 | 104.0° | 101.6° |
| C30 | C29 | H29 | 110.8° | 111.0° |
| C30 | C29 | H37 | 110.8° | 111.0° |
| C29 | C30 | H30 | 111.7° | 110.4° |
| C29 | C30 | H36 | 111.7° | 110.4° |
| C29 | C34 | C35 | 100.7° | 102.9° |
| C34 | C29 | H29 | 110.8° | 111.0° |
| C34 | C29 | H37 | 110.8° | 111.0° |
| C29 | C34 | H39 | 111.6° | 110.8° |
| C29 | C34 | H38 | 111.6° | 110.7° |
| C34 | C35 | C26 | 107.2° | 109.5° |
| C35 | C34 | H39 | 111.6° | 110.7° |
| C35 | C34 | H38 | 111.6° | 110.8° |
| C35 | C26 | C28 | 121.6° | 123.3° |
| C35 | C26 | H26 | 119.2° | 118.3° |
| C27 | C28 | C26 | 121.4° | 121.5° |
| C28 | C27 | H27 | 111.9° | 110.8° |
| C27 | C28 | H28 | 119.3° | 119.3° |
| C33 | C32 | O5 | 121.9° | 120.1° |
| C32 | C33 | H34 | 109.5° | 109.4° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C28 | C26 | H26 | 119.2° | 118.4° |
| C26 | C28 | H28 | 119.3° | 119.2° |
| H13 | C13 | H2A | 109.5° | 109.5° |
| H96 | C22 | H97 | 109.4° | 109.8° |
| H23 | C23 | H95 | 109.5° | 110.9° |
| H24 | C24 | H4A | 109.5° | 111.0° |
| H29 | C29 | H37 | 109.4° | 110.9° |
| H31 | C3 | H32 | 109.5° | 110.3° |
| H30 | C30 | H36 | 109.4° | 110.3° |
| H34 | C33 | H35 | 109.4° | 109.4° |
| H34 | C33 | H33 | 109.5° | 109.4° |
| H35 | C33 | H33 | 109.4° | 109.5° |
| H39 | C34 | H38 | 109.4° | 110.6° |
| H94 | C49 | H49 | 109.5° | 109.5° |
| H94 | C49 | H93 | 109.5° | 109.5° |
| H49 | C49 | H93 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C23 | 145.3° | 157.0° |
| C6 | C7 | C8 | C21 | 29.5° | 40.0° |
| C7 | C6 | C5 | C4 | 138.5° | 119.2° |
| C7 | C6 | C5 | N1 | 24.0° | 0.4° |
| C7 | C6 | C5 | H5 | 99.7° | 123.2° |
| C6 | C7 | C8 | H8 | 91.0° | 81.1° |
| C8 | C7 | C6 | C5 | 1.6° | 1.5° |
| C7 | C8 | C23 | C21 | 120.1° | 123.7° |
| C7 | C8 | C23 | H8 | 124.4° | 121.8° |
| C7 | C8 | C23 | C22 | 163.4° | 159.4° |
| C7 | C8 | C21 | H8 | 121.4° | 120.9° |
| C7 | C8 | C21 | C25 | 82.9° | 65.2° |
| C7 | C8 | C21 | N2 | 154.9° | 163.2° |
| C7 | C8 | C21 | H21 | 37.3° | 51.2° |
| C7 | C8 | C23 | H23 | 78.3° | 41.2° |
| C7 | C8 | C23 | H95 | 45.2° | 82.4° |
| C8 | C7 | C6 | H6 | 178.4° | 178.5° |
| C6 | C5 | C4 | C49 | 79.7° | 98.3° |
| C6 | C5 | C4 | N1 | 122.0° | 125.8° |
| C6 | C5 | C4 | H5 | 122.6° | 117.3° |
| C6 | C5 | C4 | C3 | 160.3° | 142.6° |
| C6 | C5 | N1 | H5 | 124.4° | 122.6° |
| C6 | C5 | N1 | C25 | 52.9° | 31.7° |
| C6 | C5 | N1 | C2 | 131.2° | 152.0° |
| C6 | C5 | C4 | H41 | 43.4° | 23.6° |
| C5 | C6 | C7 | H7 | 178.4° | 178.5° |
| C49 | C4 | C5 | C3 | 120.0° | 119.1° |
| C49 | C4 | C5 | H41 | 123.1° | 121.9° |
| C49 | C4 | C3 | H41 | 124.2° | 121.9° |
| C49 | C4 | C5 | N1 | 158.2° | 135.9° |
| C49 | C4 | C3 | C2 | 171.4° | 115.6° |
| C49 | C4 | C3 | H31 | 52.9° | 125.5° |
| C49 | C4 | C3 | H32 | 70.0° | 3.3° |
| C4 | C49 | H94 | H49 | 120.0° | 120.0° |
| C4 | C49 | H94 | H93 | 120.0° | 119.9° |
| C4 | C49 | H49 | H93 | 120.0° | 119.9° |
| C49 | C4 | C5 | H5 | 42.8° | 19.0° |
| C8 | C23 | C22 | H23 | 118.3° | 118.2° |
| C8 | C23 | C22 | H95 | 118.3° | 118.1° |
| C23 | C8 | C21 | H8 | 115.6° | 114.5° |
| C8 | C23 | C22 | N2 | 40.1° | 21.5° |
| C23 | C8 | C21 | C25 | 154.1° | 170.3° |
| C23 | C8 | C21 | N2 | 31.9° | 38.7° |
| C23 | C8 | C21 | H21 | 85.7° | 73.3° |
| C8 | C23 | C22 | H96 | 79.6° | 97.9° |
| C8 | C23 | C22 | H97 | 159.8° | 141.0° |
| C8 | C23 | H23 | H95 | 124.8° | 123.6° |
| C23 | C8 | C7 | H7 | 34.7° | 23.1° |
| C22 | C23 | C8 | C21 | 43.4° | 35.7° |
| C23 | C22 | N2 | H96 | 119.7° | 119.4° |
| C23 | C22 | N2 | H97 | 119.7° | 119.6° |
| C23 | C22 | N2 | C21 | 21.0° | 2.2° |
| C23 | C22 | N2 | C20 | 154.9° | 177.8° |
| C23 | C22 | H96 | H97 | 120.9° | 121.2° |
| C22 | C23 | H23 | H95 | 124.9° | 123.6° |
| C22 | C23 | C8 | H8 | 72.1° | 78.8° |
| C8 | C21 | N2 | C22 | 7.3° | 25.7° |
| C8 | C21 | C25 | N2 | 114.8° | 125.6° |
| C8 | C21 | C25 | H21 | 119.1° | 115.8° |
| C8 | C21 | N2 | H21 | 117.1° | 111.4° |
| C8 | C21 | C25 | N1 | 72.7° | 37.6° |
| C8 | C21 | C25 | O7 | 99.6° | 142.4° |
| C8 | C21 | N2 | C20 | 176.5° | 154.3° |
| C21 | C8 | C23 | H23 | 161.7° | 82.5° |
| C21 | C8 | C23 | H95 | 74.9° | 153.9° |
| C21 | C8 | C7 | H7 | 150.5° | 140.1° |
| C5 | C4 | C3 | H41 | 116.8° | 119.0° |
| C4 | C5 | N1 | H5 | 115.3° | 116.8° |
| C4 | C5 | N1 | C25 | 173.2° | 152.3° |
| C4 | C5 | N1 | C2 | 10.9° | 31.3° |
| C5 | C4 | C3 | C2 | 52.5° | 3.4° |
| C5 | C4 | C3 | H31 | 66.1° | 115.5° |
| C5 | C4 | C3 | H32 | 171.1° | 122.3° |
| C5 | C4 | C49 | H94 | 180.0° | 60.0° |
| C5 | C4 | C49 | H49 | 60.0° | 180.0° |
| C5 | C4 | C49 | H93 | 60.0° | 60.0° |
| C4 | C5 | C6 | H6 | 41.5° | 60.7° |
| C3 | C4 | C5 | N1 | 38.2° | 16.9° |
| C4 | C3 | C2 | N1 | 44.4° | 22.2° |
| C4 | C3 | C2 | H31 | 118.5° | 118.9° |
| C4 | C3 | C2 | H32 | 118.5° | 119.0° |
| C4 | C3 | C2 | C1 | 79.6° | 141.2° |
| C4 | C3 | C2 | H22 | 157.5° | 96.9° |
| C4 | C3 | H31 | H32 | 124.1° | 122.3° |
| C3 | C4 | C49 | H94 | 67.8° | 176.2° |
| C3 | C4 | C49 | H49 | 52.1° | 63.8° |
| C3 | C4 | C49 | H93 | 172.1° | 56.1° |
| C3 | C4 | C5 | H5 | 77.2° | 100.0° |
| C5 | N1 | C25 | C21 | 5.8° | 19.6° |
| C5 | N1 | C25 | C2 | 175.2° | 175.8° |
| C5 | N1 | C2 | C3 | 20.7° | 33.6° |
| C5 | N1 | C2 | C1 | 104.1° | 152.6° |
| C5 | N1 | C25 | O7 | 178.5° | 160.4° |
| C5 | N1 | C2 | H22 | 133.6° | 85.6° |
| N1 | C5 | C4 | H41 | 78.6° | 102.2° |
| N1 | C5 | C6 | H6 | 156.0° | 179.6° |
| O2 | C1 | C2 | N1 | 9.0° | 30.0° |
| O2 | C1 | C2 | C3 | 106.9° | 86.4° |
| O2 | C1 | C2 | O1 | 174.8° | 180.0° |
| O2 | C1 | C2 | H22 | 130.8° | 151.7° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| C22 | N2 | C21 | C25 | 123.6° | 155.6° |
| C22 | N2 | C21 | C20 | 176.2° | 180.0° |
| C22 | N2 | C20 | O6 | 178.0° | 172.7° |
| C22 | N2 | C20 | C10 | 8.5° | 7.3° |
| C22 | N2 | C21 | H21 | 109.8° | 85.7° |
| N2 | C22 | H96 | H97 | 120.9° | 121.0° |
| N2 | C22 | C23 | H23 | 158.3° | 96.8° |
| N2 | C22 | C23 | H95 | 78.2° | 139.6° |
| C25 | C21 | N2 | H21 | 126.6° | 118.8° |
| C21 | C25 | N1 | O7 | 172.7° | 180.0° |
| C21 | C25 | N1 | C2 | 178.9° | 164.5° |
| C25 | C21 | N2 | C20 | 60.2° | 24.5° |
| C25 | C21 | C8 | H8 | 38.5° | 55.7° |
| N2 | C21 | C25 | N1 | 172.6° | 163.2° |
| N2 | C21 | C25 | O7 | 15.2° | 16.8° |
| C21 | N2 | C20 | O6 | 2.7° | 7.3° |
| C21 | N2 | C20 | C10 | 176.2° | 172.7° |
| C21 | N2 | C22 | H96 | 98.7° | 121.6° |
| C21 | N2 | C22 | H97 | 140.7° | 117.4° |
| N2 | C21 | C8 | H8 | 83.7° | 75.8° |
| C25 | N1 | C2 | C3 | 155.1° | 149.7° |
| C25 | N1 | C2 | C1 | 80.0° | 30.6° |
| N1 | C25 | C21 | H21 | 46.5° | 78.2° |
| C25 | N1 | C2 | H22 | 42.3° | 91.1° |
| C25 | N1 | C5 | H5 | 71.5° | 90.9° |
| N1 | C2 | C3 | C1 | 124.0° | 119.1° |
| N1 | C2 | C3 | H22 | 113.1° | 119.1° |
| N1 | C2 | C1 | H22 | 121.9° | 121.8° |
| N1 | C2 | C1 | O1 | 165.9° | 150.1° |
| C2 | N1 | C25 | O7 | 6.3° | 15.5° |
| N1 | C2 | C3 | H31 | 74.1° | 96.7° |
| N1 | C2 | C3 | H32 | 163.0° | 141.2° |
| C2 | N1 | C5 | H5 | 104.4° | 85.5° |
| C3 | C2 | C1 | H22 | 122.3° | 121.9° |
| C3 | C2 | C1 | O1 | 78.2° | 93.6° |
| C2 | C3 | H31 | H32 | 124.1° | 122.1° |
| C2 | C3 | C4 | H41 | 64.3° | 122.4° |
| C1 | C2 | C3 | H31 | 161.9° | 22.3° |
| C1 | C2 | C3 | H32 | 38.9° | 99.8° |
| C2 | C1 | O1 | H1 | 174.8° | 180.0° |
| O1 | C1 | C2 | H22 | 44.0° | 28.3° |
| O7 | C25 | C21 | H21 | 141.3° | 101.9° |
| N2 | C20 | O6 | C10 | 173.5° | 180.0° |
| N2 | C20 | C10 | C9 | 83.2° | 61.4° |
| N2 | C20 | C10 | N3 | 164.4° | 179.0° |
| C20 | N2 | C21 | H21 | 66.4° | 94.3° |
| C20 | N2 | C22 | H96 | 85.3° | 58.4° |
| C20 | N2 | C22 | H97 | 35.2° | 62.6° |
| N2 | C20 | C10 | H10 | 37.3° | 59.7° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C16 | C14 | 1.3° | 0.3° |
| C17 | C18 | C19 | C15 | 0.8° | 0.0° |
| C17 | C18 | C19 | H19 | 179.1° | 179.9° |
| C18 | C17 | C16 | H16 | 178.8° | 180.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.3° |
| C17 | C16 | C14 | H16 | 180.0° | 179.7° |
| C17 | C16 | C14 | C15 | 1.2° | 0.0° |
| C17 | C16 | C14 | C13 | 178.6° | 180.0° |
| C16 | C17 | C18 | H18 | 178.9° | 180.0° |
| C18 | C19 | C15 | H19 | 180.0° | 179.9° |
| C18 | C19 | C15 | C14 | 0.8° | 0.2° |
| C18 | C19 | C15 | CL | 179.7° | 180.0° |
| C19 | C18 | C17 | H17 | 178.9° | 180.0° |
| C16 | C14 | C15 | C19 | 1.0° | 0.2° |
| C16 | C14 | C15 | C13 | 179.8° | 179.9° |
| C16 | C14 | C15 | CL | 179.5° | 180.0° |
| C16 | C14 | C13 | C12 | 98.0° | 81.5° |
| C16 | C14 | C13 | H13 | 141.5° | 158.5° |
| C16 | C14 | C13 | H2A | 22.4° | 38.5° |
| C14 | C16 | C17 | H17 | 178.8° | 180.0° |
| C19 | C15 | C14 | CL | 179.5° | 179.8° |
| C19 | C15 | C14 | C13 | 178.8° | 179.7° |
| C15 | C19 | C18 | H18 | 179.2° | 179.7° |
| C15 | C14 | C13 | C12 | 81.8° | 98.6° |
| C15 | C14 | C13 | H13 | 38.7° | 21.4° |
| C15 | C14 | C13 | H2A | 157.8° | 141.4° |
| C14 | C15 | C19 | H19 | 179.2° | 179.8° |
| C15 | C14 | C16 | H16 | 178.8° | 179.7° |
| C13 | C14 | C15 | CL | 0.7° | 0.0° |
| C14 | C13 | C12 | H13 | 120.4° | 120.0° |
| C14 | C13 | C12 | H2A | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 175.3° | 173.6° |
| C14 | C13 | C12 | N4 | 56.0° | 66.4° |
| C14 | C13 | C12 | H12 | 65.9° | 53.7° |
| C14 | C13 | H13 | H2A | 118.7° | 120.1° |
| C13 | C14 | C16 | H16 | 1.4° | 0.3° |
| CL | C15 | C19 | H19 | 0.4° | 0.1° |
| O6 | C20 | C10 | C9 | 90.2° | 118.6° |
| O6 | C20 | C10 | N3 | 22.2° | 1.0° |
| O6 | C20 | C10 | H10 | 149.3° | 120.3° |
| C20 | C10 | C9 | N3 | 120.1° | 119.3° |
| C20 | C10 | C9 | H10 | 121.9° | 121.1° |
| C20 | C10 | N3 | H10 | 127.4° | 121.2° |
| C20 | C10 | C9 | C24 | 151.6° | 141.7° |
| C20 | C10 | N3 | C31 | 69.1° | 63.9° |
| C20 | C10 | N3 | C27 | 113.5° | 117.1° |
| C20 | C10 | C9 | H91 | 33.2° | 100.0° |
| C20 | C10 | C9 | H92 | 90.0° | 23.4° |
| C13 | C12 | C11 | N4 | 120.3° | 120.0° |
| C13 | C12 | C11 | H12 | 118.5° | 120.0° |
| C13 | C12 | N4 | H12 | 121.0° | 120.0° |
| C13 | C12 | C11 | O4 | 79.3° | 99.7° |
| C13 | C12 | C11 | N5 | 95.7° | 80.0° |
| C13 | C12 | N4 | C32 | 108.1° | 59.0° |
| C12 | C13 | H13 | H2A | 118.7° | 120.0° |
| C13 | C12 | N4 | H42 | 71.9° | 121.1° |
| O3 | C31 | N3 | C10 | 0.1° | 12.4° |
| O3 | C31 | N3 | C35 | 179.8° | 179.9° |
| O3 | C31 | N3 | C27 | 176.8° | 168.7° |
| O3 | C31 | C35 | N5 | 25.9° | 39.4° |
| O3 | C31 | C35 | C34 | 87.0° | 77.9° |
| O3 | C31 | C35 | C26 | 151.8° | 161.3° |
| C9 | C10 | N3 | H10 | 116.7° | 119.5° |
| C10 | C9 | C24 | H91 | 118.4° | 118.3° |
| C10 | C9 | C24 | H92 | 118.4° | 118.3° |
| C9 | C10 | N3 | C31 | 175.0° | 176.8° |
| C9 | C10 | N3 | C27 | 2.4° | 2.3° |
| C10 | C9 | C24 | C27 | 51.4° | 36.9° |
| C10 | C9 | C24 | H24 | 169.3° | 81.0° |
| C10 | C9 | C24 | H4A | 66.5° | 154.9° |
| C10 | C9 | H91 | H92 | 124.5° | 123.4° |
| N3 | C10 | C9 | C24 | 31.5° | 22.4° |
| C10 | N3 | C31 | C27 | 177.0° | 178.9° |
| C10 | N3 | C31 | C35 | 179.7° | 167.7° |
| C10 | N3 | C27 | C24 | 34.7° | 26.3° |
| C10 | N3 | C27 | C28 | 154.7° | 144.5° |
| C10 | N3 | C27 | H27 | 81.5° | 93.2° |
| N3 | C10 | C9 | H91 | 86.9° | 140.6° |
| N3 | C10 | C9 | H92 | 149.8° | 95.9° |
| C9 | C24 | C27 | N3 | 53.5° | 39.1° |
| C9 | C24 | C27 | H24 | 117.9° | 117.9° |
| C9 | C24 | C27 | H4A | 117.9° | 118.0° |
| C9 | C24 | C27 | C28 | 169.7° | 156.1° |
| C9 | C24 | H24 | H4A | 125.8° | 124.3° |
| C24 | C9 | C10 | H10 | 86.5° | 97.2° |
| C9 | C24 | C27 | H27 | 63.5° | 80.7° |
| C24 | C9 | H91 | H92 | 124.5° | 123.4° |
| C31 | N3 | C27 | C24 | 142.7° | 152.7° |
| N3 | C31 | C35 | N5 | 154.3° | 140.7° |
| N3 | C31 | C35 | C34 | 92.8° | 102.0° |
| N3 | C31 | C35 | C26 | 28.4° | 18.9° |
| C31 | N3 | C27 | C28 | 22.7° | 34.6° |
| C31 | N3 | C10 | H10 | 58.3° | 57.3° |
| C31 | N3 | C27 | H27 | 101.2° | 87.7° |
| C35 | C31 | N3 | C27 | 3.4° | 11.1° |
| C31 | C35 | N5 | C11 | 66.6° | 60.4° |
| C31 | C35 | N5 | C30 | 111.8° | 119.6° |
| C31 | C35 | N5 | C34 | 119.7° | 118.5° |
| C31 | C35 | N5 | C26 | 125.7° | 122.5° |
| C31 | C35 | C34 | C29 | 83.0° | 96.6° |
| C31 | C35 | C34 | C26 | 124.1° | 121.9° |
| C31 | C35 | C26 | C28 | 27.8° | 24.8° |
| C31 | C35 | C26 | H26 | 152.2° | 155.2° |
| C31 | C35 | C34 | H39 | 158.4° | 145.0° |
| C31 | C35 | C34 | H38 | 35.6° | 21.8° |
| N3 | C27 | C24 | C28 | 116.2° | 116.9° |
| N3 | C27 | C24 | H27 | 117.0° | 119.8° |
| N3 | C27 | C28 | H27 | 123.4° | 122.6° |
| N3 | C27 | C28 | C26 | 23.0° | 28.5° |
| N3 | C27 | C24 | H24 | 171.4° | 78.8° |
| N3 | C27 | C24 | H4A | 64.4° | 157.1° |
| C27 | N3 | C10 | H10 | 119.1° | 121.8° |
| N3 | C27 | C28 | H28 | 157.0° | 151.5° |
| C11 | C12 | N4 | H12 | 120.5° | 120.0° |
| C12 | C11 | O4 | N5 | 174.7° | 179.7° |
| C11 | C12 | N4 | C32 | 133.4° | 61.1° |
| C12 | C11 | N5 | C30 | 4.9° | 0.0° |
| C12 | C11 | N5 | C35 | 173.0° | 180.0° |
| C11 | C12 | C13 | H13 | 64.2° | 66.4° |
| C11 | C12 | C13 | H2A | 54.9° | 53.6° |
| C11 | C12 | N4 | H42 | 46.6° | 118.9° |
| N4 | C12 | C11 | O4 | 40.9° | 20.3° |
| N4 | C12 | C11 | N5 | 144.0° | 160.0° |
| C12 | N4 | C32 | H42 | 180.0° | 180.0° |
| C12 | N4 | C32 | C33 | 175.7° | 180.0° |
| C12 | N4 | C32 | O5 | 4.4° | 0.0° |
| N4 | C12 | C13 | H13 | 176.4° | 53.6° |
| N4 | C12 | C13 | H2A | 64.5° | 173.6° |
| O4 | C11 | N5 | C30 | 179.9° | 179.7° |
| O4 | C11 | N5 | C35 | 1.9° | 0.3° |
| O4 | C11 | C12 | H12 | 162.1° | 140.3° |
| C11 | N5 | C30 | C35 | 178.1° | 180.0° |
| C11 | N5 | C30 | C29 | 158.5° | 155.9° |
| C11 | N5 | C35 | C34 | 173.8° | 178.9° |
| C11 | N5 | C35 | C26 | 59.1° | 62.1° |
| N5 | C11 | C12 | H12 | 22.8° | 40.0° |
| C11 | N5 | C30 | H30 | 82.9° | 37.0° |
| C11 | N5 | C30 | H36 | 40.0° | 85.2° |
| N4 | C32 | C33 | O5 | 180.0° | 180.0° |
| C32 | N4 | C12 | H12 | 12.9° | 179.0° |
| N4 | C32 | C33 | H34 | 179.9° | 180.0° |
| N4 | C32 | C33 | H35 | 60.0° | 60.1° |
| N4 | C32 | C33 | H33 | 60.0° | 60.0° |
| C24 | C27 | C28 | H27 | 125.9° | 123.3° |
| C24 | C27 | C28 | C26 | 133.7° | 142.7° |
| C27 | C24 | H24 | H4A | 125.8° | 124.2° |
| C24 | C27 | C28 | H28 | 46.2° | 37.4° |
| C27 | C24 | C9 | H91 | 67.0° | 155.2° |
| C27 | C24 | C9 | H92 | 169.8° | 81.4° |
| N5 | C30 | C29 | H30 | 118.5° | 118.8° |
| N5 | C30 | C29 | H36 | 118.6° | 119.0° |
| N5 | C30 | C29 | C34 | 43.0° | 37.0° |
| C30 | N5 | C35 | C34 | 7.9° | 1.1° |
| C30 | N5 | C35 | C26 | 122.6° | 117.9° |
| N5 | C30 | C29 | H29 | 162.1° | 155.1° |
| N5 | C30 | C29 | H37 | 76.2° | 81.1° |
| N5 | C30 | H30 | H36 | 124.1° | 122.3° |
| C35 | N5 | C30 | C29 | 19.6° | 24.1° |
| N5 | C35 | C34 | C29 | 34.3° | 22.2° |
| N5 | C35 | C34 | C26 | 118.7° | 119.4° |
| N5 | C35 | C26 | C28 | 151.9° | 146.4° |
| N5 | C35 | C26 | H26 | 28.1° | 33.6° |
| C35 | N5 | C30 | H30 | 99.0° | 143.0° |
| C35 | N5 | C30 | H36 | 138.2° | 94.8° |
| N5 | C35 | C34 | H39 | 84.3° | 96.2° |
| N5 | C35 | C34 | H38 | 152.8° | 140.6° |
| C30 | C29 | C34 | H29 | 119.2° | 118.1° |
| C30 | C29 | C34 | H37 | 119.1° | 118.1° |
| C30 | C29 | C34 | C35 | 48.0° | 35.5° |
| C30 | C29 | H29 | H37 | 122.5° | 123.9° |
| C29 | C30 | H30 | H36 | 124.1° | 122.3° |
| C30 | C29 | C34 | H39 | 70.6° | 82.9° |
| C30 | C29 | C34 | H38 | 166.6° | 154.0° |
| C29 | C34 | C35 | H39 | 118.6° | 118.4° |
| C29 | C34 | C35 | H38 | 118.6° | 118.4° |
| C29 | C34 | C35 | C26 | 152.9° | 141.5° |
| C34 | C29 | H29 | H37 | 122.5° | 123.9° |
| C34 | C29 | C30 | H30 | 75.5° | 155.8° |
| C34 | C29 | C30 | H36 | 161.6° | 82.0° |
| C29 | C34 | H39 | H38 | 124.1° | 123.2° |
| C34 | C35 | C26 | C28 | 96.6° | 95.9° |
| C34 | C35 | C26 | H26 | 83.4° | 84.1° |
| C35 | C34 | C29 | H29 | 167.1° | 153.5° |
| C35 | C34 | C29 | H37 | 71.2° | 82.6° |
| C35 | C34 | H39 | H38 | 124.1° | 123.3° |
| C35 | C26 | C28 | C27 | 1.0° | 0.0° |
| C35 | C26 | C28 | H26 | 180.0° | 180.0° |
| C35 | C26 | C28 | H28 | 179.0° | 179.9° |
| C26 | C35 | C34 | H39 | 34.3° | 23.1° |
| C26 | C35 | C34 | H38 | 88.5° | 100.1° |
| C27 | C28 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C24 | H24 | 72.4° | 38.1° |
| C28 | C27 | C24 | H4A | 51.8° | 85.9° |
| C27 | C28 | C26 | H26 | 179.0° | 180.0° |
| C32 | C33 | H34 | H35 | 120.0° | 120.0° |
| C32 | C33 | H34 | H33 | 120.1° | 120.0° |
| C32 | C33 | H35 | H33 | 120.0° | 120.1° |
| C33 | C32 | N4 | H42 | 4.4° | 0.0° |
| O5 | C32 | C33 | H34 | 0.0° | 0.0° |
| O5 | C32 | C33 | H35 | 120.0° | 120.0° |
| O5 | C32 | C33 | H33 | 120.0° | 119.9° |
| O5 | C32 | N4 | H42 | 175.6° | 180.0° |
| C26 | C28 | C27 | H27 | 100.4° | 94.1° |
| H12 | C12 | C13 | H13 | 54.5° | 173.7° |
| H12 | C12 | C13 | H2A | 173.7° | 66.4° |
| H12 | C12 | N4 | H42 | 167.1° | 1.1° |
| H17 | C17 | C16 | H16 | 1.2° | 0.3° |
| H17 | C17 | C18 | H18 | 1.0° | 0.3° |
| H19 | C19 | C18 | H18 | 0.9° | 0.2° |
| H21 | C21 | C8 | H8 | 158.7° | 172.2° |
| H96 | C22 | C23 | H23 | 38.6° | 143.8° |
| H96 | C22 | C23 | H95 | 162.1° | 20.2° |
| H97 | C22 | C23 | H23 | 82.0° | 22.7° |
| H97 | C22 | C23 | H95 | 41.5° | 100.9° |
| H23 | C23 | C8 | H8 | 46.2° | 163.0° |
| H95 | C23 | C8 | H8 | 169.6° | 39.4° |
| H24 | C24 | C27 | H27 | 54.4° | 161.4° |
| H24 | C24 | C9 | H91 | 50.9° | 37.3° |
| H24 | C24 | C9 | H92 | 72.2° | 160.7° |
| H4A | C24 | C27 | H27 | 178.6° | 37.3° |
| H4A | C24 | C9 | H91 | 175.1° | 86.9° |
| H4A | C24 | C9 | H92 | 51.9° | 36.6° |
| H10 | C10 | C9 | H91 | 155.1° | 21.1° |
| H10 | C10 | C9 | H92 | 31.9° | 144.5° |
| H22 | C2 | C3 | H31 | 39.0° | 144.1° |
| H22 | C2 | C3 | H32 | 83.9° | 22.0° |
| H26 | C26 | C28 | H28 | 1.0° | 0.1° |
| H27 | C27 | C28 | H28 | 79.6° | 85.9° |
| H29 | C29 | C30 | H30 | 43.6° | 86.1° |
| H29 | C29 | C30 | H36 | 79.3° | 36.1° |
| H29 | C29 | C34 | H39 | 48.5° | 35.2° |
| H29 | C29 | C34 | H38 | 74.3° | 88.0° |
| H37 | C29 | C30 | H30 | 165.3° | 37.7° |
| H37 | C29 | C30 | H36 | 42.4° | 159.9° |
| H37 | C29 | C34 | H39 | 170.2° | 159.0° |
| H37 | C29 | C34 | H38 | 47.4° | 35.9° |
| H31 | C3 | C4 | H41 | 177.1° | 3.6° |
| H32 | C3 | C4 | H41 | 54.2° | 118.6° |
| H34 | C33 | H35 | H33 | 120.0° | 119.9° |
| H41 | C4 | C49 | H94 | 56.6° | 61.9° |
| H41 | C4 | C49 | H49 | 176.6° | 58.1° |
| H41 | C4 | C49 | H93 | 63.4° | 178.1° |
| H41 | C4 | C5 | H5 | 166.0° | 141.0° |
| H94 | C49 | H49 | H93 | 120.0° | 120.1° |
| H5 | C5 | C6 | H6 | 80.3° | 56.8° |
| H6 | C6 | C7 | H7 | 1.6° | 1.5° |
| H7 | C7 | C8 | H8 | 89.0° | 98.8° |
