8S8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.24Å | 1.40Å | |
| C7 | C8 | sing | 1.49Å | 1.43Å | |
| C6 | C5 | sing | 1.46Å | 1.45Å | |
| C23 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C21 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | sing | 1.56Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.50Å | |
| C21 | C25 | sing | 1.49Å | 1.44Å | |
| C21 | N2 | sing | 1.46Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.44Å | |
| C1 | O2 | sing | 1.34Å | 1.26Å | |
| N1 | C25 | sing | 1.29Å | 1.33Å | |
| N1 | C2 | sing | 1.49Å | 1.48Å | |
| C3 | C2 | sing | 1.55Å | 1.57Å | |
| C25 | O7 | doub | 1.21Å | 1.26Å | |
| N2 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | O6 | doub | 1.21Å | 1.25Å | |
| C20 | C10 | sing | 1.51Å | 1.48Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| O3 | C31 | doub | 1.21Å | 1.24Å | |
| C10 | C9 | sing | 1.55Å | 1.54Å | |
| C10 | N3 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.43Å | |
| C15 | CL | sing | 1.74Å | 1.71Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C9 | C24 | sing | 1.56Å | 1.51Å | |
| C31 | N3 | sing | 1.35Å | 1.33Å | |
| C31 | C35 | sing | 1.51Å | 1.44Å | |
| N3 | C27 | sing | 1.48Å | 1.46Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| C12 | N4 | sing | 1.46Å | 1.46Å | |
| O4 | C11 | doub | 1.21Å | 1.22Å | |
| C11 | N5 | sing | 1.35Å | 1.34Å | |
| C24 | C27 | sing | 1.55Å | 1.54Å | |
| N5 | C35 | sing | 1.47Å | 1.47Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| C35 | C34 | sing | 1.54Å | 1.59Å | |
| C35 | C26 | sing | 1.50Å | 1.44Å | |
| C27 | C28 | sing | 1.50Å | 1.42Å | |
| C34 | C29 | sing | 1.55Å | 1.50Å | |
| N4 | C32 | sing | 1.35Å | 1.39Å | |
| C30 | C29 | sing | 1.55Å | 1.52Å | |
| C32 | O5 | doub | 1.21Å | 1.26Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | doub | 1.30Å | 1.40Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H94 | sing | 1.09Å | 1.10Å | |
| C23 | H93 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H4A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | 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 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| 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) |
| C6 | C7 | C8 | 129.9° | 136.4° |
| C7 | C6 | C5 | 130.2° | 132.4° |
| C7 | C6 | H6 | 114.9° | 113.7° |
| C6 | C7 | H7 | 115.0° | 111.8° |
| C7 | C8 | C23 | 107.3° | 109.2° |
| C7 | C8 | C21 | 112.8° | 110.8° |
| C8 | C7 | H7 | 115.0° | 111.8° |
| C7 | C8 | H8 | 109.2° | 109.2° |
| C6 | C5 | C4 | 109.2° | 117.5° |
| C6 | C5 | N1 | 111.1° | 116.3° |
| C6 | C5 | H5 | 111.3° | 106.8° |
| C5 | C6 | H6 | 114.9° | 113.8° |
| C23 | C8 | C21 | 111.2° | 109.2° |
| C8 | C23 | H94 | 109.5° | 109.5° |
| C8 | C23 | H93 | 109.5° | 109.5° |
| C8 | C23 | H23 | 109.5° | 109.5° |
| C23 | C8 | H8 | 108.3° | 109.2° |
| C8 | C21 | C25 | 112.8° | 110.4° |
| C8 | C21 | N2 | 109.5° | 110.5° |
| C8 | C21 | H21 | 107.9° | 108.2° |
| C21 | C8 | H8 | 108.0° | 109.2° |
| O1 | C1 | C2 | 121.9° | 120.0° |
| O1 | C1 | O2 | 122.1° | 120.0° |
| C5 | C4 | C3 | 99.5° | 100.2° |
| C4 | C5 | N1 | 104.1° | 102.6° |
| C4 | C5 | H5 | 110.3° | 106.4° |
| C5 | C4 | H42 | 111.9° | 111.3° |
| C5 | C4 | H41 | 111.9° | 111.3° |
| C4 | C3 | C2 | 101.7° | 104.9° |
| C4 | C3 | H32 | 111.4° | 110.4° |
| C4 | C3 | H31 | 111.4° | 110.4° |
| C3 | C4 | H42 | 111.9° | 111.3° |
| C3 | C4 | H41 | 111.9° | 111.3° |
| C5 | N1 | C25 | 124.3° | 130.2° |
| C5 | N1 | C2 | 110.5° | 101.7° |
| N1 | C5 | H5 | 110.6° | 106.3° |
| C25 | C21 | N2 | 109.1° | 109.3° |
| C21 | C25 | N1 | 120.1° | 135.8° |
| C21 | C25 | O7 | 121.7° | 112.1° |
| C25 | C21 | H21 | 108.9° | 109.2° |
| C21 | N2 | C20 | 122.9° | 120.0° |
| N2 | C21 | H21 | 108.7° | 109.2° |
| C21 | N2 | H25 | 118.6° | 120.1° |
| C2 | C1 | O2 | 115.9° | 120.0° |
| C1 | C2 | N1 | 115.5° | 110.3° |
| C1 | C2 | C3 | 113.1° | 110.3° |
| C1 | C2 | H22 | 110.4° | 110.3° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C25 | N1 | C2 | 125.1° | 126.8° |
| N1 | C25 | O7 | 118.2° | 112.1° |
| N1 | C2 | C3 | 98.7° | 105.2° |
| N1 | C2 | H22 | 109.8° | 110.4° |
| C3 | C2 | H22 | 108.6° | 110.3° |
| C2 | C3 | H32 | 111.4° | 110.4° |
| C2 | C3 | H31 | 111.4° | 110.4° |
| N2 | C20 | O6 | 118.7° | 120.0° |
| N2 | C20 | C10 | 117.7° | 120.0° |
| C20 | N2 | H25 | 118.6° | 119.9° |
| O6 | C20 | C10 | 123.2° | 120.1° |
| C20 | C10 | C9 | 109.9° | 110.0° |
| C20 | C10 | N3 | 108.7° | 109.9° |
| C20 | C10 | H10 | 112.0° | 110.1° |
| C18 | C17 | C16 | 120.6° | 120.0° |
| C17 | C18 | C19 | 119.2° | 120.1° |
| C18 | C17 | H17 | 119.7° | 120.0° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| C17 | C16 | C14 | 121.6° | 120.0° |
| C17 | C16 | H16 | 119.2° | 119.9° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C18 | C19 | C15 | 120.1° | 119.9° |
| C19 | C18 | H18 | 120.4° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C16 | C14 | C15 | 116.9° | 120.0° |
| C16 | C14 | C13 | 122.0° | 120.0° |
| C14 | C16 | H16 | 119.2° | 120.0° |
| C19 | C15 | C14 | 121.5° | 120.0° |
| C19 | C15 | CL | 116.5° | 120.0° |
| C15 | C19 | H19 | 120.0° | 120.0° |
| O3 | C31 | N3 | 118.5° | 120.5° |
| O3 | C31 | C35 | 123.5° | 120.4° |
| C9 | C10 | N3 | 103.0° | 107.0° |
| C10 | C9 | C24 | 101.0° | 102.7° |
| C9 | C10 | H10 | 111.1° | 110.0° |
| C10 | C9 | H91 | 111.5° | 110.8° |
| C10 | C9 | H92 | 111.5° | 110.7° |
| C10 | N3 | C31 | 125.4° | 127.6° |
| C10 | N3 | C27 | 110.3° | 108.6° |
| N3 | C10 | H10 | 111.8° | 109.9° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C14 | C15 | CL | 122.0° | 120.0° |
| C14 | C13 | C12 | 112.7° | 109.4° |
| C14 | C13 | H13 | 108.6° | 109.5° |
| C14 | C13 | H2A | 108.7° | 109.5° |
| C13 | C12 | C11 | 106.8° | 109.5° |
| C13 | C12 | N4 | 112.2° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C12 | C13 | H13 | 108.7° | 109.4° |
| C12 | C13 | H2A | 108.6° | 109.5° |
| C9 | C24 | C27 | 100.8° | 100.9° |
| C9 | C24 | H4A | 111.6° | 111.2° |
| C9 | C24 | H24 | 111.6° | 111.1° |
| C24 | C9 | H91 | 111.6° | 110.8° |
| C24 | C9 | H92 | 111.6° | 110.7° |
| N3 | C31 | C35 | 117.7° | 119.1° |
| C31 | N3 | C27 | 124.2° | 123.8° |
| C31 | C35 | N5 | 113.8° | 109.6° |
| C31 | C35 | C34 | 105.0° | 109.2° |
| C31 | C35 | C26 | 111.7° | 111.1° |
| N3 | C27 | C24 | 98.1° | 104.4° |
| N3 | C27 | C28 | 110.6° | 108.9° |
| N3 | C27 | H27 | 110.3° | 111.3° |
| C11 | C12 | N4 | 109.7° | 109.5° |
| C12 | C11 | O4 | 121.6° | 119.9° |
| C12 | C11 | N5 | 117.8° | 120.0° |
| C11 | C12 | H12 | 109.0° | 109.4° |
| C12 | N4 | C32 | 120.1° | 120.0° |
| N4 | C12 | H12 | 110.2° | 109.5° |
| C12 | N4 | H43 | 120.0° | 120.0° |
| O4 | C11 | N5 | 120.6° | 120.0° |
| C11 | N5 | C35 | 122.4° | 125.7° |
| C11 | N5 | C30 | 128.2° | 125.7° |
| C24 | C27 | C28 | 116.9° | 110.6° |
| C27 | C24 | H4A | 111.6° | 111.1° |
| C27 | C24 | H24 | 111.6° | 111.1° |
| C24 | C27 | H27 | 109.3° | 110.8° |
| C35 | N5 | C30 | 109.3° | 108.7° |
| N5 | C35 | C34 | 101.5° | 107.3° |
| N5 | C35 | C26 | 112.1° | 109.9° |
| N5 | C30 | C29 | 104.1° | 104.9° |
| N5 | C30 | H30 | 110.8° | 110.4° |
| N5 | C30 | H36 | 110.8° | 110.5° |
| C34 | C35 | C26 | 112.1° | 109.5° |
| C35 | C34 | C29 | 102.5° | 102.9° |
| C35 | C34 | H39 | 111.2° | 110.7° |
| C35 | C34 | H38 | 111.2° | 110.9° |
| C35 | C26 | C28 | 120.1° | 123.4° |
| C35 | C26 | H26 | 119.9° | 118.3° |
| C27 | C28 | C26 | 119.6° | 121.5° |
| C28 | C27 | H27 | 111.0° | 110.7° |
| C27 | C28 | H28 | 120.2° | 119.3° |
| C34 | C29 | C30 | 98.0° | 101.6° |
| C34 | C29 | H29 | 112.2° | 111.0° |
| C34 | C29 | H37 | 112.3° | 111.1° |
| C29 | C34 | H39 | 111.2° | 110.7° |
| C29 | C34 | H38 | 111.2° | 110.7° |
| N4 | C32 | O5 | 126.3° | 120.0° |
| N4 | C32 | C33 | 114.8° | 120.0° |
| C32 | N4 | H43 | 120.0° | 120.0° |
| C30 | C29 | H29 | 112.2° | 111.0° |
| C30 | C29 | H37 | 112.2° | 111.0° |
| C29 | C30 | H30 | 110.8° | 110.4° |
| C29 | C30 | H36 | 110.8° | 110.4° |
| O5 | C32 | C33 | 118.9° | 120.0° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C28 | C26 | H26 | 119.9° | 118.3° |
| C26 | C28 | H28 | 120.2° | 119.2° |
| H13 | C13 | H2A | 109.5° | 109.5° |
| H94 | C23 | H93 | 109.5° | 109.5° |
| H94 | C23 | H23 | 109.5° | 109.5° |
| H93 | C23 | H23 | 109.5° | 109.4° |
| H4A | C24 | H24 | 109.4° | 111.0° |
| H29 | C29 | H37 | 109.5° | 110.9° |
| H32 | C3 | H31 | 109.5° | 110.3° |
| H30 | C30 | H36 | 109.5° | 110.3° |
| H35 | C33 | H33 | 109.4° | 109.5° |
| H35 | C33 | H34 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H39 | C34 | H38 | 109.4° | 110.6° |
| H42 | C4 | H41 | 109.5° | 111.1° |
| 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° | 180.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C23 | 127.3° | 74.7° |
| C6 | C7 | C8 | C21 | 4.6° | 45.6° |
| C7 | C6 | C5 | C4 | 152.8° | 124.6° |
| C7 | C6 | C5 | N1 | 38.6° | 2.4° |
| C7 | C6 | C5 | H5 | 85.2° | 116.1° |
| C6 | C7 | C8 | H8 | 115.5° | 165.9° |
| C8 | C7 | C6 | C5 | 4.9° | 7.5° |
| C7 | C8 | C23 | C21 | 123.7° | 121.3° |
| C7 | C8 | C23 | H8 | 117.8° | 119.4° |
| C7 | C8 | C21 | H8 | 120.8° | 120.3° |
| C7 | C8 | C21 | C25 | 62.1° | 60.1° |
| C7 | C8 | C21 | N2 | 176.2° | 60.8° |
| C8 | C7 | C6 | H6 | 175.1° | 172.5° |
| C7 | C8 | C21 | H21 | 58.1° | 179.6° |
| C7 | C8 | C23 | H94 | 180.0° | 60.0° |
| C7 | C8 | C23 | H93 | 60.0° | 180.0° |
| C7 | C8 | C23 | H23 | 60.0° | 60.0° |
| C6 | C5 | C4 | N1 | 118.7° | 128.9° |
| C6 | C5 | C4 | H5 | 122.6° | 119.6° |
| C6 | C5 | C4 | C3 | 153.4° | 173.5° |
| C6 | C5 | N1 | H5 | 124.2° | 118.8° |
| C6 | C5 | N1 | C25 | 53.4° | 13.0° |
| C6 | C5 | N1 | C2 | 124.2° | 179.6° |
| C5 | C6 | C7 | H7 | 175.1° | 172.5° |
| C6 | C5 | C4 | H42 | 88.2° | 68.8° |
| C6 | C5 | C4 | H41 | 35.1° | 55.7° |
| C23 | C8 | C21 | H8 | 118.7° | 119.3° |
| C23 | C8 | C21 | C25 | 177.3° | 60.2° |
| C23 | C8 | C21 | N2 | 55.7° | 178.8° |
| C23 | C8 | C7 | H7 | 52.7° | 105.3° |
| C23 | C8 | C21 | H21 | 62.4° | 59.3° |
| C8 | C23 | H94 | H93 | 120.0° | 120.0° |
| C8 | C23 | H94 | H23 | 120.0° | 120.0° |
| C8 | C23 | H93 | H23 | 120.0° | 120.0° |
| C8 | C21 | C25 | N2 | 121.9° | 121.7° |
| C8 | C21 | C25 | H21 | 119.7° | 118.8° |
| C8 | C21 | N2 | H21 | 117.6° | 118.9° |
| C8 | C21 | C25 | N1 | 77.7° | 46.4° |
| C8 | C21 | C25 | O7 | 103.2° | 133.7° |
| C8 | C21 | N2 | C20 | 162.6° | 153.3° |
| C21 | C8 | C7 | H7 | 175.4° | 134.3° |
| C21 | C8 | C23 | H94 | 56.3° | 61.3° |
| C21 | C8 | C23 | H93 | 176.3° | 58.7° |
| C21 | C8 | C23 | H23 | 63.7° | 178.7° |
| C8 | C21 | N2 | H25 | 17.3° | 26.7° |
| O1 | C1 | C2 | O2 | 176.9° | 180.0° |
| O1 | C1 | C2 | N1 | 15.5° | 41.5° |
| O1 | C1 | C2 | C3 | 97.3° | 74.3° |
| O1 | C1 | C2 | H22 | 140.8° | 163.7° |
| O1 | C1 | O2 | H1 | 0.0° | 0.0° |
| C5 | C4 | C3 | H42 | 118.4° | 117.8° |
| C5 | C4 | C3 | H41 | 118.4° | 117.7° |
| C4 | C5 | N1 | H5 | 118.4° | 111.6° |
| C4 | C5 | N1 | C25 | 170.8° | 116.7° |
| C4 | C5 | N1 | C2 | 6.8° | 50.8° |
| C5 | C4 | C3 | C2 | 49.4° | 21.6° |
| C4 | C5 | C6 | H6 | 27.2° | 55.5° |
| C5 | C4 | C3 | H32 | 69.3° | 140.5° |
| C5 | C4 | C3 | H31 | 168.2° | 97.2° |
| C5 | C4 | H42 | H41 | 124.6° | 124.6° |
| C3 | C4 | C5 | N1 | 34.7° | 44.5° |
| C4 | C3 | C2 | C1 | 78.0° | 126.9° |
| C4 | C3 | C2 | N1 | 44.7° | 7.9° |
| C4 | C3 | C2 | H32 | 118.7° | 118.9° |
| C4 | C3 | C2 | H31 | 118.8° | 118.9° |
| C3 | C4 | C5 | H5 | 84.0° | 66.9° |
| C4 | C3 | C2 | H22 | 159.1° | 111.1° |
| C4 | C3 | H32 | H31 | 123.6° | 122.3° |
| C3 | C4 | H42 | H41 | 124.6° | 124.6° |
| C5 | N1 | C25 | C21 | 6.0° | 3.0° |
| C5 | N1 | C2 | C1 | 98.0° | 154.7° |
| C5 | N1 | C25 | C2 | 177.3° | 164.6° |
| C5 | N1 | C2 | C3 | 22.9° | 35.8° |
| C5 | N1 | C25 | O7 | 174.9° | 177.1° |
| N1 | C5 | C6 | H6 | 141.4° | 177.6° |
| C5 | N1 | C2 | H22 | 136.4° | 83.1° |
| N1 | C5 | C4 | H42 | 153.1° | 162.3° |
| N1 | C5 | C4 | H41 | 83.6° | 73.2° |
| C25 | C21 | N2 | H21 | 118.5° | 119.4° |
| C21 | C25 | N1 | O7 | 179.1° | 179.9° |
| C21 | C25 | N1 | C2 | 176.7° | 161.6° |
| C25 | C21 | N2 | C20 | 73.5° | 85.0° |
| C25 | C21 | C8 | H8 | 58.7° | 179.5° |
| C25 | C21 | N2 | H25 | 106.6° | 94.9° |
| N2 | C21 | C25 | N1 | 160.4° | 75.4° |
| N2 | C21 | C25 | O7 | 18.7° | 104.6° |
| C21 | N2 | C20 | H25 | 180.0° | 180.0° |
| C21 | N2 | C20 | O6 | 0.8° | 0.0° |
| C21 | N2 | C20 | C10 | 173.4° | 180.0° |
| N2 | C21 | C8 | H8 | 63.0° | 59.5° |
| C1 | C2 | N1 | C25 | 79.6° | 13.3° |
| C1 | C2 | N1 | C3 | 120.9° | 118.9° |
| C1 | C2 | N1 | H22 | 125.6° | 122.1° |
| C1 | C2 | C3 | H22 | 122.9° | 122.0° |
| C1 | C2 | C3 | H32 | 163.3° | 8.0° |
| C1 | C2 | C3 | H31 | 40.8° | 114.2° |
| C2 | C1 | O2 | H1 | 176.9° | 179.9° |
| O2 | C1 | C2 | N1 | 161.4° | 138.5° |
| O2 | C1 | C2 | C3 | 85.8° | 105.7° |
| O2 | C1 | C2 | H22 | 36.1° | 16.3° |
| C25 | N1 | C2 | C3 | 159.5° | 132.2° |
| C25 | N1 | C5 | H5 | 70.8° | 131.8° |
| C25 | N1 | C2 | H22 | 46.0° | 108.8° |
| N1 | C25 | C21 | H21 | 42.0° | 165.2° |
| N1 | C2 | C3 | H22 | 114.4° | 119.0° |
| C2 | N1 | C25 | O7 | 2.4° | 18.3° |
| C2 | N1 | C5 | H5 | 111.6° | 60.8° |
| N1 | C2 | C3 | H32 | 74.0° | 111.0° |
| N1 | C2 | C3 | H31 | 163.5° | 126.8° |
| C2 | C3 | H32 | H31 | 123.6° | 122.2° |
| C2 | C3 | C4 | H42 | 167.8° | 139.4° |
| C2 | C3 | C4 | H41 | 68.9° | 96.1° |
| O7 | C25 | C21 | H21 | 137.1° | 14.9° |
| N2 | C20 | O6 | C10 | 172.2° | 179.9° |
| N2 | C20 | C10 | C9 | 81.7° | 61.5° |
| N2 | C20 | C10 | N3 | 166.3° | 179.0° |
| N2 | C20 | C10 | H10 | 42.3° | 59.8° |
| C20 | N2 | C21 | H21 | 45.1° | 34.4° |
| O6 | C20 | C10 | C9 | 90.6° | 118.5° |
| O6 | C20 | C10 | N3 | 21.4° | 1.0° |
| O6 | C20 | C10 | H10 | 145.4° | 120.2° |
| O6 | C20 | N2 | H25 | 179.2° | 179.9° |
| C20 | C10 | C9 | N3 | 115.7° | 119.3° |
| C20 | C10 | C9 | H10 | 124.5° | 121.4° |
| C20 | C10 | N3 | H10 | 124.1° | 121.3° |
| C20 | C10 | C9 | C24 | 142.8° | 141.6° |
| C20 | C10 | N3 | C31 | 64.0° | 64.1° |
| C20 | C10 | N3 | C27 | 112.2° | 116.9° |
| C20 | C10 | C9 | H91 | 24.2° | 23.2° |
| C20 | C10 | C9 | H92 | 98.6° | 100.2° |
| C10 | C20 | N2 | H25 | 6.6° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C18 | C17 | C16 | C14 | 2.1° | 0.1° |
| C17 | C18 | C19 | C15 | 1.9° | 0.5° |
| C18 | C17 | C16 | H16 | 178.0° | 180.0° |
| C17 | C18 | C19 | H19 | 178.0° | 179.9° |
| C16 | C17 | C18 | C19 | 2.4° | 0.2° |
| C17 | C16 | C14 | H16 | 180.0° | 180.0° |
| C17 | C16 | C14 | C15 | 1.1° | 0.0° |
| C17 | C16 | C14 | C13 | 179.8° | 179.7° |
| C16 | C17 | C18 | H18 | 177.6° | 180.0° |
| C18 | C19 | C15 | H19 | 180.0° | 179.4° |
| C18 | C19 | C15 | C14 | 1.1° | 0.6° |
| C18 | C19 | C15 | CL | 179.0° | 179.4° |
| C19 | C18 | C17 | H17 | 177.5° | 180.0° |
| C16 | C14 | C15 | C19 | 0.6° | 0.3° |
| C16 | C14 | C15 | C13 | 178.7° | 179.7° |
| C16 | C14 | C15 | CL | 179.4° | 179.7° |
| C16 | C14 | C13 | C12 | 99.6° | 79.5° |
| C16 | C14 | C13 | H13 | 139.9° | 160.6° |
| C16 | C14 | C13 | H2A | 20.8° | 40.5° |
| C14 | C16 | C17 | H17 | 177.9° | 179.7° |
| C19 | C15 | C14 | CL | 180.0° | 180.0° |
| C19 | C15 | C14 | C13 | 179.3° | 180.0° |
| C15 | C19 | C18 | H18 | 178.1° | 179.7° |
| O3 | C31 | N3 | C10 | 1.7° | 12.5° |
| O3 | C31 | N3 | C35 | 173.3° | 180.0° |
| O3 | C31 | N3 | C27 | 177.5° | 168.6° |
| O3 | C31 | C35 | N5 | 24.5° | 40.0° |
| O3 | C31 | C35 | C34 | 85.6° | 77.4° |
| O3 | C31 | C35 | C26 | 152.7° | 161.7° |
| C9 | C10 | N3 | H10 | 119.4° | 119.4° |
| C10 | C9 | C24 | H91 | 118.6° | 118.3° |
| C10 | C9 | C24 | H92 | 118.6° | 118.2° |
| C9 | C10 | N3 | C31 | 179.4° | 176.6° |
| C9 | C10 | N3 | C27 | 4.3° | 2.5° |
| C10 | C9 | C24 | C27 | 47.8° | 37.0° |
| C10 | C9 | C24 | H4A | 166.4° | 81.0° |
| C10 | C9 | C24 | H24 | 70.8° | 154.8° |
| C10 | C9 | H91 | H92 | 123.9° | 123.3° |
| N3 | C10 | C9 | C24 | 27.2° | 22.3° |
| C10 | N3 | C31 | C27 | 175.7° | 179.0° |
| C10 | N3 | C31 | C35 | 171.6° | 167.6° |
| C10 | N3 | C27 | C24 | 33.0° | 26.6° |
| C10 | N3 | C27 | C28 | 155.8° | 144.7° |
| C10 | N3 | C27 | H27 | 81.0° | 92.9° |
| N3 | C10 | C9 | H91 | 91.4° | 96.1° |
| N3 | C10 | C9 | H92 | 145.8° | 140.5° |
| C15 | C14 | C13 | C12 | 79.0° | 100.8° |
| C15 | C14 | C13 | H13 | 41.5° | 19.1° |
| C15 | C14 | C13 | H2A | 160.6° | 139.2° |
| C15 | C14 | C16 | H16 | 178.9° | 180.0° |
| C14 | C15 | C19 | H19 | 178.9° | 180.0° |
| C13 | C14 | C15 | CL | 0.8° | 0.0° |
| C14 | C13 | C12 | H13 | 120.5° | 120.0° |
| C14 | C13 | C12 | H2A | 120.5° | 120.0° |
| C14 | C13 | C12 | C11 | 179.3° | 177.6° |
| C14 | C13 | C12 | N4 | 59.1° | 62.4° |
| C14 | C13 | C12 | H12 | 63.1° | 57.6° |
| C14 | C13 | H13 | H2A | 118.5° | 120.0° |
| C13 | C14 | C16 | H16 | 0.3° | 0.3° |
| CL | C15 | C19 | H19 | 1.0° | 0.0° |
| C13 | C12 | C11 | N4 | 121.8° | 120.0° |
| C13 | C12 | C11 | H12 | 117.5° | 120.0° |
| C13 | C12 | N4 | H12 | 121.5° | 120.0° |
| C13 | C12 | C11 | O4 | 84.6° | 100.0° |
| C13 | C12 | C11 | N5 | 97.5° | 80.0° |
| C13 | C12 | N4 | C32 | 111.4° | 58.3° |
| C12 | C13 | H13 | H2A | 118.5° | 120.0° |
| C13 | C12 | N4 | H43 | 68.6° | 121.7° |
| C9 | C24 | C27 | N3 | 49.5° | 39.3° |
| C9 | C24 | C27 | H4A | 118.6° | 118.0° |
| C9 | C24 | C27 | H24 | 118.6° | 117.9° |
| C9 | C24 | C27 | C28 | 167.5° | 156.3° |
| C24 | C9 | C10 | H10 | 92.7° | 97.0° |
| C9 | C24 | H4A | H24 | 124.0° | 124.2° |
| C9 | C24 | C27 | H27 | 65.4° | 80.6° |
| C24 | C9 | H91 | H92 | 124.0° | 123.4° |
| C31 | N3 | C27 | C24 | 150.7° | 152.5° |
| N3 | C31 | C35 | N5 | 162.6° | 140.1° |
| N3 | C31 | C35 | C34 | 87.4° | 102.6° |
| N3 | C31 | C35 | C26 | 34.3° | 18.4° |
| C31 | N3 | C27 | C28 | 27.9° | 34.4° |
| C31 | N3 | C10 | H10 | 60.1° | 57.2° |
| C31 | N3 | C27 | H27 | 95.2° | 87.9° |
| C35 | C31 | N3 | C27 | 4.2° | 11.4° |
| C31 | C35 | N5 | C11 | 57.9° | 60.4° |
| C31 | C35 | N5 | C34 | 112.2° | 118.5° |
| C31 | C35 | N5 | C26 | 128.0° | 122.4° |
| C31 | C35 | N5 | C30 | 117.4° | 119.5° |
| C31 | C35 | C34 | C26 | 121.5° | 121.9° |
| C31 | C35 | C34 | C29 | 152.5° | 96.6° |
| C31 | C35 | C26 | C28 | 33.3° | 24.5° |
| C31 | C35 | C26 | H26 | 146.6° | 155.6° |
| C31 | C35 | C34 | H39 | 33.6° | 145.0° |
| C31 | C35 | C34 | H38 | 88.7° | 21.8° |
| N3 | C27 | C24 | C28 | 118.1° | 117.0° |
| N3 | C27 | C24 | H27 | 114.9° | 119.9° |
| N3 | C27 | C28 | H27 | 122.8° | 122.7° |
| N3 | C27 | C28 | C26 | 28.3° | 28.1° |
| C27 | N3 | C10 | H10 | 123.7° | 121.9° |
| N3 | C27 | C24 | H4A | 168.1° | 78.7° |
| N3 | C27 | C24 | H24 | 69.1° | 157.2° |
| N3 | C27 | C28 | H28 | 151.7° | 151.8° |
| C11 | C12 | N4 | H12 | 119.9° | 120.0° |
| C12 | C11 | O4 | N5 | 177.8° | 180.0° |
| C12 | C11 | N5 | C35 | 174.9° | 180.0° |
| C12 | C11 | N5 | C30 | 0.4° | 0.0° |
| C11 | C12 | N4 | C32 | 130.0° | 61.7° |
| C11 | C12 | C13 | H13 | 60.2° | 62.5° |
| C11 | C12 | C13 | H2A | 58.8° | 57.6° |
| C11 | C12 | N4 | H43 | 50.0° | 118.3° |
| N4 | C12 | C11 | O4 | 37.2° | 20.0° |
| N4 | C12 | C11 | N5 | 140.7° | 160.0° |
| C12 | N4 | C32 | H43 | 180.0° | 179.9° |
| C12 | N4 | C32 | O5 | 2.8° | 0.1° |
| C12 | N4 | C32 | C33 | 179.1° | 180.0° |
| N4 | C12 | C13 | H13 | 179.6° | 57.5° |
| N4 | C12 | C13 | H2A | 61.3° | 177.6° |
| O4 | C11 | N5 | C35 | 7.2° | 0.0° |
| O4 | C11 | N5 | C30 | 178.4° | 180.0° |
| O4 | C11 | C12 | H12 | 157.9° | 140.0° |
| C11 | N5 | C35 | C30 | 175.4° | 179.9° |
| C11 | N5 | C35 | C34 | 170.1° | 178.9° |
| C11 | N5 | C35 | C26 | 70.1° | 62.0° |
| C11 | N5 | C30 | C29 | 160.2° | 155.9° |
| N5 | C11 | C12 | H12 | 20.0° | 40.0° |
| C11 | N5 | C30 | H30 | 41.1° | 37.0° |
| C11 | N5 | C30 | H36 | 80.7° | 85.2° |
| C24 | C27 | C28 | H27 | 126.2° | 123.2° |
| C24 | C27 | C28 | C26 | 139.4° | 142.3° |
| C27 | C24 | H4A | H24 | 124.0° | 124.2° |
| C24 | C27 | C28 | H28 | 40.6° | 37.7° |
| C27 | C24 | C9 | H91 | 70.8° | 81.4° |
| C27 | C24 | C9 | H92 | 166.4° | 155.2° |
| N5 | C35 | C34 | C26 | 119.8° | 119.3° |
| N5 | C35 | C34 | C29 | 33.7° | 22.2° |
| C35 | N5 | C30 | C29 | 24.8° | 24.1° |
| N5 | C35 | C26 | C28 | 162.5° | 146.0° |
| N5 | C35 | C26 | H26 | 17.5° | 34.1° |
| C35 | N5 | C30 | H30 | 143.9° | 142.9° |
| C35 | N5 | C30 | H36 | 94.4° | 94.8° |
| N5 | C35 | C34 | H39 | 85.2° | 96.2° |
| N5 | C35 | C34 | H38 | 152.6° | 140.6° |
| C30 | N5 | C35 | C34 | 5.2° | 1.0° |
| C30 | N5 | C35 | C26 | 114.5° | 118.0° |
| N5 | C30 | C29 | C34 | 44.9° | 37.0° |
| N5 | C30 | C29 | H30 | 119.1° | 118.9° |
| N5 | C30 | C29 | H36 | 119.1° | 119.0° |
| N5 | C30 | C29 | H29 | 162.9° | 155.0° |
| N5 | C30 | C29 | H37 | 73.2° | 81.2° |
| N5 | C30 | H30 | H36 | 122.5° | 122.4° |
| C35 | C34 | C29 | H39 | 118.9° | 118.4° |
| C35 | C34 | C29 | H38 | 118.9° | 118.5° |
| C35 | C34 | C29 | C30 | 47.7° | 35.5° |
| C34 | C35 | C26 | C28 | 84.1° | 96.3° |
| C34 | C35 | C26 | H26 | 95.9° | 83.6° |
| C35 | C34 | C29 | H29 | 165.8° | 153.5° |
| C35 | C34 | C29 | H37 | 70.4° | 82.7° |
| C35 | C34 | H39 | H38 | 123.2° | 123.3° |
| C35 | C26 | C28 | C27 | 1.2° | 0.1° |
| C26 | C35 | C34 | C29 | 86.1° | 141.5° |
| C35 | C26 | C28 | H26 | 180.0° | 179.9° |
| C35 | C26 | C28 | H28 | 178.8° | 179.9° |
| C26 | C35 | C34 | H39 | 155.0° | 23.1° |
| C26 | C35 | C34 | H38 | 32.8° | 100.1° |
| C27 | C28 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C24 | H4A | 73.9° | 38.3° |
| C28 | C27 | C24 | H24 | 48.9° | 85.8° |
| C27 | C28 | C26 | H26 | 178.8° | 179.9° |
| C34 | C29 | C30 | H29 | 118.1° | 118.1° |
| C34 | C29 | C30 | H37 | 118.1° | 118.1° |
| C34 | C29 | H29 | H37 | 125.4° | 123.9° |
| C34 | C29 | C30 | H30 | 164.0° | 155.8° |
| C34 | C29 | C30 | H36 | 74.3° | 82.0° |
| C29 | C34 | H39 | H38 | 123.2° | 123.1° |
| N4 | C32 | O5 | C33 | 178.0° | 179.9° |
| C32 | N4 | C12 | H12 | 10.1° | 178.3° |
| N4 | C32 | C33 | H35 | 178.2° | 90.1° |
| N4 | C32 | C33 | H33 | 61.8° | 30.0° |
| N4 | C32 | C33 | H34 | 58.2° | 150.0° |
| C30 | C29 | H29 | H37 | 125.3° | 123.9° |
| C29 | C30 | H30 | H36 | 122.5° | 122.2° |
| C30 | C29 | C34 | H39 | 71.2° | 82.9° |
| C30 | C29 | C34 | H38 | 166.5° | 154.0° |
| O5 | C32 | C33 | H35 | 0.0° | 90.0° |
| O5 | C32 | C33 | H33 | 120.0° | 150.0° |
| O5 | C32 | C33 | H34 | 120.0° | 29.9° |
| O5 | C32 | N4 | H43 | 177.2° | 180.0° |
| C32 | C33 | H35 | H33 | 120.0° | 120.1° |
| C32 | C33 | H35 | H34 | 120.0° | 120.0° |
| C32 | C33 | H33 | H34 | 120.0° | 120.0° |
| C33 | C32 | N4 | H43 | 0.9° | 0.1° |
| C26 | C28 | C27 | H27 | 94.4° | 94.5° |
| H5 | C5 | C6 | H6 | 94.7° | 63.9° |
| H5 | C5 | C4 | H42 | 34.4° | 50.8° |
| H5 | C5 | C4 | H41 | 157.7° | 175.3° |
| H6 | C6 | C7 | H7 | 4.9° | 7.5° |
| H7 | C7 | C8 | H8 | 64.5° | 14.0° |
| H10 | C10 | C9 | H91 | 148.7° | 144.6° |
| H10 | C10 | C9 | H92 | 25.9° | 21.2° |
| H12 | C12 | C13 | H13 | 57.4° | 177.6° |
| H12 | C12 | C13 | H2A | 176.4° | 62.4° |
| H12 | C12 | N4 | H43 | 169.9° | 1.7° |
| H16 | C16 | C17 | H17 | 2.1° | 0.2° |
| H17 | C17 | C18 | H18 | 2.4° | 0.2° |
| H18 | C18 | C19 | H19 | 1.9° | 0.3° |
| H22 | C2 | C3 | H32 | 40.4° | 130.0° |
| H22 | C2 | C3 | H31 | 82.1° | 7.8° |
| H21 | C21 | C8 | H8 | 178.9° | 60.1° |
| H21 | C21 | N2 | H25 | 134.9° | 145.6° |
| H94 | C23 | H93 | H23 | 120.0° | 120.0° |
| H94 | C23 | C8 | H8 | 62.2° | 179.4° |
| H93 | C23 | C8 | H8 | 57.8° | 60.6° |
| H23 | C23 | C8 | H8 | 177.8° | 59.3° |
| H4A | C24 | C27 | H27 | 53.2° | 161.5° |
| H4A | C24 | C9 | H91 | 47.8° | 160.7° |
| H4A | C24 | C9 | H92 | 75.0° | 37.2° |
| H24 | C24 | C27 | H27 | 175.9° | 37.4° |
| H24 | C24 | C9 | H91 | 170.6° | 36.5° |
| H24 | C24 | C9 | H92 | 47.8° | 86.9° |
| H26 | C26 | C28 | H28 | 1.2° | 0.0° |
| H27 | C27 | C28 | H28 | 85.6° | 85.6° |
| H29 | C29 | C30 | H30 | 78.0° | 86.1° |
| H29 | C29 | C30 | H36 | 43.8° | 36.1° |
| H29 | C29 | C34 | H39 | 46.9° | 35.2° |
| H29 | C29 | C34 | H38 | 75.4° | 87.9° |
| H37 | C29 | C30 | H30 | 45.9° | 37.7° |
| H37 | C29 | C30 | H36 | 167.6° | 159.8° |
| H37 | C29 | C34 | H39 | 170.7° | 159.0° |
| H37 | C29 | C34 | H38 | 48.5° | 35.9° |
| H32 | C3 | C4 | H42 | 49.1° | 101.7° |
| H32 | C3 | C4 | H41 | 172.3° | 22.8° |
| H31 | C3 | C4 | H42 | 73.5° | 20.5° |
| H31 | C3 | C4 | H41 | 49.8° | 145.0° |
| H35 | C33 | H33 | H34 | 120.0° | 119.9° |
