CTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.47Å | |
| C1 | N22 | sing | 1.37Å | 1.32Å | |
| C1 | O23 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | doub | 1.33Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.50Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | N5 | sing | 1.48Å | 1.46Å | |
| C4 | C24 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.10Å | 1.11Å | |
| N5 | C6 | sing | 1.35Å | 1.33Å | |
| N5 | H5 | sing | 0.98Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | O32 | doub | 1.21Å | 1.23Å | |
| C7 | N8 | sing | 1.48Å | 1.46Å | |
| C7 | C33 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| N8 | C9 | sing | 1.36Å | 1.33Å | |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C9 | C10 | sing | 1.49Å | 1.55Å | |
| C9 | O40 | doub | 1.22Å | 1.23Å | |
| C10 | C11 | sing | 1.50Å | 1.54Å | |
| C10 | O41 | doub | 1.22Å | 1.39Å | |
| C11 | N12 | sing | 1.48Å | 1.45Å | |
| C11 | C42 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.10Å | 1.11Å | |
| N12 | C13 | sing | 1.36Å | 1.33Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | O49 | doub | 1.22Å | 1.24Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C14 | N18 | sing | 1.48Å | 1.47Å | |
| C14 | H14 | sing | 1.08Å | 1.12Å | |
| C15 | C16 | sing | 1.55Å | 1.49Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.56Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | N18 | sing | 1.49Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.08Å | 1.12Å | |
| N18 | C19 | sing | 1.34Å | 1.34Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | O50 | doub | 1.21Å | 1.24Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | N51 | sing | 1.47Å | 1.46Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | N22 | sing | 1.48Å | 1.46Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| N22 | H22 | sing | 0.97Å | 1.02Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.30Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C44 | N45 | sing | 1.47Å | 1.46Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.12Å | |
| N45 | C46 | sing | 1.37Å | 1.33Å | |
| N45 | H45 | sing | 0.97Å | 1.02Å | |
| C46 | N47 | sing | 1.37Å | 1.33Å | |
| C46 | N48 | doub | 1.30Å | 1.33Å | |
| N47 | H471 | sing | 0.97Å | 1.02Å | |
| N47 | H472 | sing | 0.97Å | 1.02Å | |
| N48 | H48 | sing | 0.97Å | 1.02Å | |
| N51 | C52 | sing | 1.35Å | 1.33Å | |
| N51 | H51 | sing | 0.97Å | 1.02Å | |
| C52 | O53 | doub | 1.21Å | 1.24Å | |
| C52 | H52 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N22 | 117.0° | 118.3° |
| C2 | C1 | O23 | 120.2° | 120.7° |
| C1 | C2 | C3 | 119.0° | 119.0° |
| C1 | C2 | H2 | 125.0° | 119.0° |
| N22 | C1 | O23 | 122.8° | 121.1° |
| C1 | N22 | C21 | 124.5° | 115.3° |
| C1 | N22 | H22 | 112.6° | 122.0° |
| C3 | C2 | H2 | 116.0° | 121.9° |
| C2 | C3 | C4 | 123.2° | 123.1° |
| C2 | C3 | H3 | 112.3° | 118.3° |
| C4 | C3 | H3 | 124.5° | 118.6° |
| C3 | C4 | N5 | 109.3° | 109.4° |
| C3 | C4 | C24 | 110.7° | 111.5° |
| C3 | C4 | H4 | 109.2° | 108.3° |
| N5 | C4 | C24 | 110.6° | 111.0° |
| N5 | C4 | H4 | 109.2° | 108.2° |
| C4 | N5 | C6 | 121.2° | 118.6° |
| C4 | N5 | H5 | 124.3° | 120.4° |
| C24 | C4 | H4 | 107.8° | 108.4° |
| C4 | C24 | C25 | 112.5° | 109.5° |
| C4 | C24 | H241 | 111.1° | 109.5° |
| C4 | C24 | H242 | 111.0° | 109.5° |
| C6 | N5 | H5 | 114.6° | 121.0° |
| N5 | C6 | C7 | 116.8° | 119.2° |
| N5 | C6 | O32 | 122.7° | 122.0° |
| C7 | C6 | O32 | 120.4° | 118.8° |
| C6 | C7 | N8 | 107.6° | 107.5° |
| C6 | C7 | C33 | 110.0° | 109.4° |
| C6 | C7 | H7 | 110.4° | 109.7° |
| N8 | C7 | C33 | 109.5° | 109.9° |
| N8 | C7 | H7 | 110.9° | 110.2° |
| C7 | N8 | C9 | 122.4° | 115.9° |
| C7 | N8 | H8 | 123.8° | 121.4° |
| C33 | C7 | H7 | 108.5° | 110.1° |
| C7 | C33 | C34 | 112.9° | 109.5° |
| C7 | C33 | H331 | 110.9° | 109.5° |
| C7 | C33 | H332 | 111.0° | 109.4° |
| C9 | N8 | H8 | 113.8° | 122.7° |
| N8 | C9 | C10 | 111.9° | 120.8° |
| N8 | C9 | O40 | 123.5° | 120.2° |
| C10 | C9 | O40 | 124.6° | 118.9° |
| C9 | C10 | C11 | 110.4° | 123.0° |
| C9 | C10 | O41 | 114.2° | 118.2° |
| C11 | C10 | O41 | 115.1° | 118.8° |
| C10 | C11 | N12 | 111.3° | 110.6° |
| C10 | C11 | C42 | 114.7° | 110.7° |
| C10 | C11 | H11 | 104.3° | 108.3° |
| N12 | C11 | C42 | 109.0° | 110.6° |
| N12 | C11 | H11 | 110.6° | 108.4° |
| C11 | N12 | C13 | 121.9° | 115.7° |
| C11 | N12 | H12 | 123.7° | 122.6° |
| C42 | C11 | H11 | 106.8° | 108.3° |
| C11 | C42 | C43 | 112.1° | 109.5° |
| C11 | C42 | H421 | 111.3° | 109.5° |
| C11 | C42 | H422 | 111.3° | 109.4° |
| C13 | N12 | H12 | 114.4° | 121.7° |
| N12 | C13 | C14 | 115.9° | 120.1° |
| N12 | C13 | O49 | 123.3° | 120.0° |
| C14 | C13 | O49 | 120.8° | 120.0° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C13 | C14 | N18 | 111.5° | 110.1° |
| C13 | C14 | H14 | 104.9° | 111.0° |
| C15 | C14 | N18 | 102.7° | 105.7° |
| C15 | C14 | H14 | 113.5° | 110.1° |
| C14 | C15 | C16 | 108.1° | 104.1° |
| C14 | C15 | H151 | 112.7° | 110.7° |
| C14 | C15 | H152 | 112.7° | 110.2° |
| N18 | C14 | H14 | 113.2° | 110.4° |
| C14 | N18 | C17 | 113.3° | 103.6° |
| C14 | N18 | C19 | 121.7° | 127.9° |
| C16 | C15 | H151 | 112.7° | 110.6° |
| C16 | C15 | H152 | 112.8° | 110.3° |
| C15 | C16 | C17 | 106.0° | 100.7° |
| C15 | C16 | H161 | 113.5° | 111.1° |
| C15 | C16 | H162 | 113.5° | 111.1° |
| H151 | C15 | H152 | 97.7° | 110.8° |
| C17 | C16 | H161 | 113.5° | 110.9° |
| C17 | C16 | H162 | 113.6° | 111.0° |
| C16 | C17 | N18 | 101.2° | 99.3° |
| C16 | C17 | H171 | 115.4° | 111.0° |
| C16 | C17 | H172 | 115.4° | 111.2° |
| H161 | C16 | H162 | 97.0° | 111.5° |
| N18 | C17 | H171 | 115.4° | 111.3° |
| N18 | C17 | H172 | 115.3° | 111.9° |
| C17 | N18 | C19 | 125.0° | 128.4° |
| H171 | C17 | H172 | 95.1° | 111.7° |
| N18 | C19 | C20 | 117.1° | 121.1° |
| N18 | C19 | O50 | 122.1° | 119.5° |
| C20 | C19 | O50 | 120.8° | 119.4° |
| C19 | C20 | C21 | 109.6° | 109.7° |
| C19 | C20 | N51 | 108.9° | 109.5° |
| C19 | C20 | H20 | 110.1° | 109.7° |
| C21 | C20 | N51 | 110.7° | 109.0° |
| C21 | C20 | H20 | 108.4° | 109.3° |
| C20 | C21 | N22 | 110.8° | 109.2° |
| C20 | C21 | H211 | 111.7° | 109.2° |
| C20 | C21 | H212 | 111.7° | 109.6° |
| N51 | C20 | H20 | 109.0° | 109.6° |
| C20 | N51 | C52 | 122.4° | 120.0° |
| C20 | N51 | H51 | 123.5° | 120.0° |
| N22 | C21 | H211 | 111.7° | 109.4° |
| N22 | C21 | H212 | 111.7° | 110.4° |
| C21 | N22 | H22 | 123.0° | 122.7° |
| H211 | C21 | H212 | 98.7° | 109.1° |
| C25 | C24 | H241 | 111.1° | 109.4° |
| C25 | C24 | H242 | 111.1° | 109.5° |
| C24 | C25 | C26 | 119.2° | 120.0° |
| C24 | C25 | C30 | 120.3° | 119.9° |
| H241 | C24 | H242 | 99.3° | 109.5° |
| C26 | C25 | C30 | 120.5° | 120.1° |
| C25 | C26 | C27 | 120.3° | 120.1° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C25 | C30 | C29 | 119.6° | 120.1° |
| C25 | C30 | H30 | 120.2° | 120.0° |
| C27 | C26 | H26 | 119.8° | 119.9° |
| C26 | C27 | C28 | 118.9° | 119.9° |
| C26 | C27 | H27 | 120.5° | 120.0° |
| C28 | C27 | H27 | 120.6° | 120.0° |
| C27 | C28 | C29 | 121.3° | 119.9° |
| C27 | C28 | O31 | 119.1° | 120.0° |
| C29 | C28 | O31 | 119.6° | 120.0° |
| C28 | C29 | C30 | 119.4° | 119.9° |
| C28 | C29 | H29 | 120.3° | 120.1° |
| C28 | O31 | H31 | 119.0° | 106.8° |
| C30 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | H30 | 120.3° | 120.0° |
| C34 | C33 | H331 | 111.0° | 109.5° |
| C34 | C33 | H332 | 111.0° | 109.5° |
| C33 | C34 | C35 | 119.9° | 120.0° |
| C33 | C34 | C39 | 119.8° | 120.0° |
| H331 | C33 | H332 | 99.3° | 109.5° |
| C35 | C34 | C39 | 120.3° | 120.0° |
| C34 | C35 | C36 | 119.8° | 120.0° |
| C34 | C35 | H35 | 120.0° | 119.9° |
| C34 | C39 | C38 | 119.7° | 120.0° |
| C34 | C39 | H39 | 120.2° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C35 | C36 | C37 | 120.0° | 120.0° |
| C35 | C36 | H36 | 120.0° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.0° |
| C38 | C37 | H37 | 120.0° | 120.0° |
| C37 | C38 | C39 | 120.2° | 120.0° |
| C37 | C38 | H38 | 120.0° | 120.0° |
| C39 | C38 | H38 | 119.8° | 119.9° |
| C38 | C39 | H39 | 120.1° | 120.0° |
| C43 | C42 | H421 | 111.3° | 109.4° |
| C43 | C42 | H422 | 111.3° | 109.5° |
| C42 | C43 | C44 | 113.3° | 109.5° |
| C42 | C43 | H431 | 110.8° | 109.5° |
| C42 | C43 | H432 | 110.8° | 109.5° |
| H421 | C42 | H422 | 99.1° | 109.5° |
| C44 | C43 | H431 | 110.8° | 109.5° |
| C44 | C43 | H432 | 110.8° | 109.5° |
| C43 | C44 | N45 | 110.2° | 109.4° |
| C43 | C44 | H441 | 112.0° | 109.4° |
| C43 | C44 | H442 | 112.0° | 109.5° |
| H431 | C43 | H432 | 99.6° | 109.5° |
| N45 | C44 | H441 | 111.9° | 109.5° |
| N45 | C44 | H442 | 111.9° | 109.5° |
| C44 | N45 | C46 | 124.7° | 120.0° |
| C44 | N45 | H45 | 106.9° | 120.0° |
| H441 | C44 | H442 | 98.4° | 109.5° |
| C46 | N45 | H45 | 106.8° | 120.0° |
| N45 | C46 | N47 | 119.9° | 120.0° |
| N45 | C46 | N48 | 119.8° | 120.0° |
| N47 | C46 | N48 | 120.3° | 120.0° |
| C46 | N47 | H471 | 119.9° | 120.1° |
| C46 | N47 | H472 | 108.5° | 119.9° |
| C46 | N48 | H48 | 93.2° | 120.0° |
| H471 | N47 | H472 | 108.4° | 120.0° |
| C52 | N51 | H51 | 114.1° | 120.0° |
| N51 | C52 | O53 | 123.8° | 120.0° |
| N51 | C52 | H52 | 122.0° | 120.0° |
| O53 | C52 | H52 | 114.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N22 | O23 | 179.9° | 179.5° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 172.1° | 179.8° |
| C1 | C2 | C3 | H3 | 7.8° | 0.4° |
| C2 | C1 | N22 | C21 | 166.6° | 176.6° |
| C2 | C1 | N22 | H22 | 13.4° | 3.2° |
| N22 | C1 | C2 | C3 | 176.1° | 179.0° |
| N22 | C1 | C2 | H2 | 4.0° | 1.0° |
| C1 | N22 | C21 | C20 | 139.7° | 131.6° |
| C1 | N22 | C21 | H22 | 180.0° | 179.8° |
| C1 | N22 | C21 | H211 | 14.5° | 109.0° |
| C1 | N22 | C21 | H212 | 95.0° | 11.1° |
| O23 | C1 | C2 | C3 | 3.9° | 1.5° |
| O23 | C1 | C2 | H2 | 176.1° | 178.5° |
| O23 | C1 | N22 | C21 | 13.5° | 2.8° |
| O23 | C1 | N22 | H22 | 166.5° | 177.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | N5 | 37.5° | 92.6° |
| C2 | C3 | C4 | C24 | 159.6° | 30.6° |
| C2 | C3 | C4 | H4 | 81.9° | 149.8° |
| H2 | C2 | C3 | C4 | 7.8° | 0.2° |
| H2 | C2 | C3 | H3 | 172.2° | 179.6° |
| C3 | C4 | N5 | C24 | 122.1° | 123.5° |
| C3 | C4 | N5 | H4 | 119.3° | 117.7° |
| C3 | C4 | C24 | H4 | 119.3° | 119.1° |
| C3 | C4 | N5 | C6 | 118.8° | 40.0° |
| C3 | C4 | N5 | H5 | 61.2° | 140.6° |
| C3 | C4 | C24 | C25 | 64.0° | 180.0° |
| C3 | C4 | C24 | H241 | 61.3° | 60.1° |
| C3 | C4 | C24 | H242 | 170.7° | 60.0° |
| H3 | C3 | C4 | N5 | 142.6° | 87.6° |
| H3 | C3 | C4 | C24 | 20.5° | 149.2° |
| H3 | C3 | C4 | H4 | 98.1° | 30.1° |
| N5 | C4 | C24 | H4 | 119.3° | 118.6° |
| C4 | N5 | C6 | H5 | 180.0° | 179.4° |
| C4 | N5 | C6 | C7 | 173.1° | 156.0° |
| C4 | N5 | C6 | O32 | 4.3° | 23.0° |
| N5 | C4 | C24 | C25 | 57.3° | 57.7° |
| N5 | C4 | C24 | H241 | 177.3° | 62.2° |
| N5 | C4 | C24 | H242 | 67.9° | 177.7° |
| C24 | C4 | N5 | C6 | 119.1° | 83.5° |
| C24 | C4 | N5 | H5 | 60.9° | 95.9° |
| C4 | C24 | C25 | H241 | 125.3° | 120.0° |
| C4 | C24 | C25 | H242 | 125.2° | 120.0° |
| C4 | C24 | H241 | H242 | 116.9° | 120.0° |
| C4 | C24 | C25 | C26 | 88.8° | 89.9° |
| C4 | C24 | C25 | C30 | 89.8° | 90.3° |
| H4 | C4 | N5 | C6 | 0.6° | 157.8° |
| H4 | C4 | N5 | H5 | 179.5° | 22.9° |
| H4 | C4 | C24 | C25 | 176.7° | 60.9° |
| H4 | C4 | C24 | H241 | 58.0° | 179.2° |
| H4 | C4 | C24 | H242 | 51.4° | 59.1° |
| N5 | C6 | C7 | O32 | 177.5° | 179.0° |
| N5 | C6 | C7 | N8 | 122.1° | 162.4° |
| N5 | C6 | C7 | C33 | 118.8° | 43.1° |
| N5 | C6 | C7 | H7 | 1.0° | 77.8° |
| H5 | N5 | C6 | C7 | 6.9° | 24.7° |
| H5 | N5 | C6 | O32 | 175.7° | 156.3° |
| C6 | C7 | N8 | C33 | 119.5° | 119.0° |
| C6 | C7 | N8 | H7 | 120.8° | 119.4° |
| C6 | C7 | C33 | H7 | 120.9° | 120.6° |
| C6 | C7 | N8 | C9 | 137.2° | 158.7° |
| C6 | C7 | N8 | H8 | 42.8° | 22.6° |
| C6 | C7 | C33 | C34 | 70.6° | 180.0° |
| C6 | C7 | C33 | H331 | 54.7° | 60.0° |
| C6 | C7 | C33 | H332 | 164.2° | 60.0° |
| O32 | C6 | C7 | N8 | 55.4° | 16.6° |
| O32 | C6 | C7 | C33 | 63.8° | 136.0° |
| O32 | C6 | C7 | H7 | 176.5° | 103.2° |
| N8 | C7 | C33 | H7 | 121.1° | 121.6° |
| C7 | N8 | C9 | H8 | 180.0° | 178.7° |
| C7 | N8 | C9 | C10 | 173.2° | 168.0° |
| C7 | N8 | C9 | O40 | 7.7° | 10.1° |
| N8 | C7 | C33 | C34 | 171.4° | 62.2° |
| N8 | C7 | C33 | H331 | 63.3° | 177.8° |
| N8 | C7 | C33 | H332 | 46.1° | 57.8° |
| C33 | C7 | N8 | C9 | 103.2° | 82.2° |
| C33 | C7 | N8 | H8 | 76.7° | 96.5° |
| C7 | C33 | C34 | H331 | 125.3° | 120.0° |
| C7 | C33 | C34 | H332 | 125.3° | 120.0° |
| C7 | C33 | H331 | H332 | 116.8° | 120.0° |
| C7 | C33 | C34 | C35 | 69.6° | 90.0° |
| C7 | C33 | C34 | C39 | 111.6° | 90.3° |
| H7 | C7 | N8 | C9 | 16.4° | 39.3° |
| H7 | C7 | N8 | H8 | 163.6° | 142.0° |
| H7 | C7 | C33 | C34 | 50.3° | 59.4° |
| H7 | C7 | C33 | H331 | 175.6° | 60.6° |
| H7 | C7 | C33 | H332 | 75.0° | 179.4° |
| N8 | C9 | C10 | O40 | 179.1° | 178.1° |
| N8 | C9 | C10 | C11 | 97.4° | 15.4° |
| N8 | C9 | C10 | O41 | 34.1° | 164.2° |
| H8 | N8 | C9 | C10 | 6.7° | 13.3° |
| H8 | N8 | C9 | O40 | 172.4° | 168.6° |
| C9 | C10 | C11 | O41 | 131.0° | 179.6° |
| C9 | C10 | C11 | N12 | 56.0° | 75.3° |
| C9 | C10 | C11 | C42 | 179.7° | 47.6° |
| C9 | C10 | C11 | H11 | 63.3° | 166.1° |
| O40 | C9 | C10 | C11 | 81.7° | 162.7° |
| O40 | C9 | C10 | O41 | 146.8° | 17.7° |
| C10 | C11 | N12 | C42 | 127.5° | 123.0° |
| C10 | C11 | N12 | H11 | 115.4° | 118.5° |
| C10 | C11 | C42 | H11 | 115.0° | 118.5° |
| C10 | C11 | N12 | C13 | 104.6° | 146.0° |
| C10 | C11 | N12 | H12 | 75.4° | 34.1° |
| C10 | C11 | C42 | C43 | 162.1° | 178.4° |
| C10 | C11 | C42 | H421 | 72.6° | 58.5° |
| C10 | C11 | C42 | H422 | 36.8° | 61.6° |
| O41 | C10 | C11 | N12 | 173.0° | 104.3° |
| O41 | C10 | C11 | C42 | 48.7° | 132.8° |
| O41 | C10 | C11 | H11 | 67.7° | 14.3° |
| N12 | C11 | C42 | H11 | 119.5° | 118.6° |
| C11 | N12 | C13 | H12 | 180.0° | 179.9° |
| C11 | N12 | C13 | C14 | 176.7° | 177.1° |
| C11 | N12 | C13 | O49 | 3.4° | 2.5° |
| N12 | C11 | C42 | C43 | 72.4° | 58.6° |
| N12 | C11 | C42 | H421 | 52.9° | 178.6° |
| N12 | C11 | C42 | H422 | 162.3° | 61.4° |
| C42 | C11 | N12 | C13 | 127.9° | 91.1° |
| C42 | C11 | N12 | H12 | 52.1° | 88.9° |
| C11 | C42 | C43 | H421 | 125.3° | 120.0° |
| C11 | C42 | C43 | H422 | 125.3° | 120.0° |
| C11 | C42 | H421 | H422 | 117.1° | 120.0° |
| C11 | C42 | C43 | C44 | 172.5° | 180.0° |
| C11 | C42 | C43 | H431 | 62.3° | 60.0° |
| C11 | C42 | C43 | H432 | 47.3° | 60.0° |
| H11 | C11 | N12 | C13 | 10.8° | 27.4° |
| H11 | C11 | N12 | H12 | 169.2° | 152.6° |
| H11 | C11 | C42 | C43 | 47.1° | 60.0° |
| H11 | C11 | C42 | H421 | 172.4° | 60.0° |
| H11 | C11 | C42 | H422 | 78.2° | 180.0° |
| N12 | C13 | C14 | O49 | 179.9° | 179.6° |
| N12 | C13 | C14 | C15 | 96.7° | 150.7° |
| N12 | C13 | C14 | N18 | 149.3° | 93.5° |
| N12 | C13 | C14 | H14 | 26.4° | 29.0° |
| H12 | N12 | C13 | C14 | 3.3° | 3.0° |
| H12 | N12 | C13 | O49 | 176.6° | 177.4° |
| C13 | C14 | C15 | N18 | 119.4° | 118.5° |
| C13 | C14 | C15 | H14 | 118.0° | 122.3° |
| C13 | C14 | N18 | H14 | 118.0° | 122.9° |
| C13 | C14 | C15 | C16 | 104.6° | 116.4° |
| C13 | C14 | C15 | H151 | 20.6° | 2.4° |
| C13 | C14 | C15 | H152 | 130.1° | 125.4° |
| C13 | C14 | N18 | C17 | 123.4° | 85.2° |
| C13 | C14 | N18 | C19 | 56.1° | 95.8° |
| O49 | C13 | C14 | C15 | 83.2° | 28.9° |
| O49 | C13 | C14 | N18 | 30.8° | 86.9° |
| O49 | C13 | C14 | H14 | 153.7° | 150.5° |
| C15 | C14 | N18 | H14 | 122.7° | 119.0° |
| C14 | C15 | C16 | H151 | 125.3° | 118.9° |
| C14 | C15 | C16 | H152 | 125.2° | 118.2° |
| C14 | C15 | H151 | H152 | 118.6° | 122.6° |
| C14 | C15 | C16 | C17 | 28.3° | 27.6° |
| C14 | C15 | C16 | H161 | 97.0° | 145.1° |
| C14 | C15 | C16 | H162 | 153.5° | 90.1° |
| C15 | C14 | N18 | C17 | 4.2° | 32.9° |
| C15 | C14 | N18 | C19 | 175.3° | 146.1° |
| N18 | C14 | C15 | C16 | 14.8° | 2.2° |
| N18 | C14 | C15 | H151 | 140.1° | 121.0° |
| N18 | C14 | C15 | H152 | 110.5° | 116.1° |
| C14 | N18 | C17 | C16 | 20.7° | 50.1° |
| C14 | N18 | C17 | C19 | 179.5° | 179.1° |
| C14 | N18 | C17 | H171 | 146.0° | 66.8° |
| C14 | N18 | C17 | H172 | 104.5° | 167.5° |
| C14 | N18 | C19 | C20 | 163.5° | 175.6° |
| C14 | N18 | C19 | O50 | 15.0° | 3.9° |
| H14 | C14 | C15 | C16 | 137.3° | 121.4° |
| H14 | C14 | C15 | H151 | 97.4° | 119.8° |
| H14 | C14 | C15 | H152 | 12.0° | 3.1° |
| H14 | C14 | N18 | C17 | 118.5° | 151.9° |
| H14 | C14 | N18 | C19 | 62.0° | 27.2° |
| C16 | C15 | H151 | H152 | 118.7° | 122.6° |
| C15 | C16 | C17 | H161 | 125.2° | 117.7° |
| C15 | C16 | C17 | H162 | 125.2° | 117.8° |
| C15 | C16 | H161 | H162 | 119.4° | 124.6° |
| C15 | C16 | C17 | N18 | 28.7° | 47.2° |
| C15 | C16 | C17 | H171 | 154.0° | 69.9° |
| C15 | C16 | C17 | H172 | 96.5° | 165.2° |
| H151 | C15 | C16 | C17 | 153.5° | 91.4° |
| H151 | C15 | C16 | H161 | 28.3° | 26.2° |
| H151 | C15 | C16 | H162 | 81.2° | 150.9° |
| H152 | C15 | C16 | C17 | 97.0° | 145.8° |
| H152 | C15 | C16 | H161 | 137.8° | 96.7° |
| H152 | C15 | C16 | H162 | 28.3° | 28.1° |
| C17 | C16 | H161 | H162 | 119.5° | 124.2° |
| C16 | C17 | N18 | H171 | 125.3° | 116.9° |
| C16 | C17 | N18 | H172 | 125.2° | 117.4° |
| C16 | C17 | H171 | H172 | 121.2° | 124.6° |
| C16 | C17 | N18 | C19 | 158.8° | 129.0° |
| H161 | C16 | C17 | N18 | 96.5° | 164.9° |
| H161 | C16 | C17 | H171 | 28.7° | 47.8° |
| H161 | C16 | C17 | H172 | 138.3° | 77.1° |
| H162 | C16 | C17 | N18 | 153.9° | 70.5° |
| H162 | C16 | C17 | H171 | 80.8° | 172.3° |
| H162 | C16 | C17 | H172 | 28.7° | 47.4° |
| N18 | C17 | H171 | H172 | 121.2° | 125.8° |
| C17 | N18 | C19 | C20 | 15.9° | 3.2° |
| C17 | N18 | C19 | O50 | 165.5° | 177.2° |
| H171 | C17 | N18 | C19 | 33.5° | 114.1° |
| H172 | C17 | N18 | C19 | 76.0° | 11.6° |
| N18 | C19 | C20 | O50 | 178.6° | 179.6° |
| N18 | C19 | C20 | C21 | 99.6° | 172.4° |
| N18 | C19 | C20 | N51 | 139.1° | 68.0° |
| N18 | C19 | C20 | H20 | 19.6° | 52.3° |
| C19 | C20 | C21 | N51 | 120.2° | 119.8° |
| C19 | C20 | C21 | H20 | 120.2° | 120.4° |
| C19 | C20 | N51 | H20 | 120.2° | 120.4° |
| C19 | C20 | C21 | N22 | 46.8° | 67.7° |
| C19 | C20 | C21 | H211 | 172.1° | 172.7° |
| C19 | C20 | C21 | H212 | 78.4° | 53.3° |
| C19 | C20 | N51 | C52 | 169.5° | 150.0° |
| C19 | C20 | N51 | H51 | 10.5° | 30.0° |
| O50 | C19 | C20 | C21 | 79.0° | 8.0° |
| O50 | C19 | C20 | N51 | 42.3° | 111.6° |
| O50 | C19 | C20 | H20 | 161.8° | 128.1° |
| C21 | C20 | N51 | H20 | 119.1° | 119.6° |
| C20 | C21 | N22 | H211 | 125.3° | 119.4° |
| C20 | C21 | N22 | H212 | 125.2° | 120.5° |
| C20 | C21 | H211 | H212 | 117.6° | 119.7° |
| C20 | C21 | N22 | H22 | 40.3° | 48.5° |
| C21 | C20 | N51 | C52 | 69.9° | 90.0° |
| C21 | C20 | N51 | H51 | 110.1° | 90.0° |
| N51 | C20 | C21 | N22 | 167.0° | 172.4° |
| N51 | C20 | C21 | H211 | 67.7° | 52.8° |
| N51 | C20 | C21 | H212 | 41.8° | 66.6° |
| C20 | N51 | C52 | H51 | 180.0° | 180.0° |
| C20 | N51 | C52 | O53 | 2.4° | 0.0° |
| C20 | N51 | C52 | H52 | 177.6° | 180.0° |
| H20 | C20 | C21 | N22 | 73.4° | 52.6° |
| H20 | C20 | C21 | H211 | 51.8° | 66.9° |
| H20 | C20 | C21 | H212 | 161.3° | 173.7° |
| H20 | C20 | N51 | C52 | 49.3° | 29.6° |
| H20 | C20 | N51 | H51 | 130.7° | 150.4° |
| N22 | C21 | H211 | H212 | 117.6° | 120.8° |
| H211 | C21 | N22 | H22 | 165.6° | 70.9° |
| H212 | C21 | N22 | H22 | 85.0° | 169.1° |
| C25 | C24 | H241 | H242 | 117.0° | 120.0° |
| C24 | C25 | C26 | C30 | 178.6° | 179.8° |
| C24 | C25 | C26 | C27 | 178.4° | 180.0° |
| C24 | C25 | C26 | H26 | 1.6° | 0.0° |
| C24 | C25 | C30 | C29 | 178.3° | 179.7° |
| C24 | C25 | C30 | H30 | 1.7° | 0.2° |
| H241 | C24 | C25 | C26 | 145.9° | 30.0° |
| H241 | C24 | C25 | C30 | 35.5° | 149.8° |
| H242 | C24 | C25 | C26 | 36.4° | 150.1° |
| H242 | C24 | C25 | C30 | 145.0° | 29.7° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.3° | 0.4° |
| C26 | C25 | C30 | H30 | 179.8° | 180.0° |
| C30 | C25 | C26 | C27 | 0.3° | 0.2° |
| C30 | C25 | C26 | H26 | 179.8° | 179.8° |
| C25 | C30 | C29 | C28 | 0.1° | 0.4° |
| C25 | C30 | C29 | H30 | 180.0° | 179.6° |
| C25 | C30 | C29 | H29 | 179.8° | 179.7° |
| C26 | C27 | C28 | H27 | 179.9° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C26 | C27 | C28 | O31 | 179.8° | 180.0° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| C27 | C28 | C29 | O31 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.2° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| C27 | C28 | O31 | H31 | 180.0° | 90.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | O31 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 179.9° | 179.9° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C28 | O31 | H31 | 0.0° | 89.9° |
| O31 | C28 | C29 | C30 | 179.8° | 179.8° |
| O31 | C28 | C29 | H29 | 0.1° | 0.1° |
| H29 | C29 | C30 | H30 | 0.1° | 0.1° |
| C34 | C33 | H331 | H332 | 116.8° | 120.0° |
| C33 | C34 | C35 | C39 | 178.8° | 179.8° |
| C33 | C34 | C35 | C36 | 178.9° | 180.0° |
| C33 | C34 | C35 | H35 | 1.1° | 0.0° |
| C33 | C34 | C39 | C38 | 178.8° | 179.8° |
| C33 | C34 | C39 | H39 | 1.2° | 0.2° |
| H331 | C33 | C34 | C35 | 165.2° | 30.1° |
| H331 | C33 | C34 | C39 | 13.6° | 149.7° |
| H332 | C33 | C34 | C35 | 55.7° | 150.1° |
| H332 | C33 | C34 | C39 | 123.1° | 29.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.2° | 0.0° |
| C34 | C35 | C36 | H36 | 179.8° | 180.0° |
| C35 | C34 | C39 | C38 | 0.0° | 0.4° |
| C35 | C34 | C39 | H39 | 180.0° | 180.0° |
| C39 | C34 | C35 | C36 | 0.1° | 0.2° |
| C39 | C34 | C35 | H35 | 179.9° | 179.8° |
| C34 | C39 | C38 | C37 | 0.0° | 0.4° |
| C34 | C39 | C38 | H39 | 180.0° | 179.6° |
| C34 | C39 | C38 | H38 | 180.0° | 179.7° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.2° | 0.0° |
| C35 | C36 | C37 | H37 | 179.8° | 179.9° |
| H35 | C35 | C36 | C37 | 179.8° | 180.0° |
| H35 | C35 | C36 | H36 | 0.2° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.1° | 0.2° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| H36 | C36 | C37 | C38 | 179.8° | 180.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.0° |
| C37 | C38 | C39 | H38 | 179.9° | 179.8° |
| C37 | C38 | C39 | H39 | 180.0° | 180.0° |
| H37 | C37 | C38 | C39 | 179.9° | 179.8° |
| H37 | C37 | C38 | H38 | 0.1° | 0.0° |
| H38 | C38 | C39 | H39 | 0.0° | 0.2° |
| C43 | C42 | H421 | H422 | 117.1° | 120.0° |
| C42 | C43 | C44 | H431 | 125.2° | 120.0° |
| C42 | C43 | C44 | H432 | 125.2° | 120.0° |
| C42 | C43 | H431 | H432 | 116.7° | 120.0° |
| C42 | C43 | C44 | N45 | 174.9° | 180.0° |
| C42 | C43 | C44 | H441 | 59.8° | 60.0° |
| C42 | C43 | C44 | H442 | 49.7° | 60.0° |
| H421 | C42 | C43 | C44 | 47.2° | 60.0° |
| H421 | C42 | C43 | H431 | 172.4° | 180.0° |
| H421 | C42 | C43 | H432 | 78.0° | 60.0° |
| H422 | C42 | C43 | C44 | 62.2° | 60.0° |
| H422 | C42 | C43 | H431 | 63.0° | 60.0° |
| H422 | C42 | C43 | H432 | 172.6° | 180.0° |
| C44 | C43 | H431 | H432 | 116.7° | 120.0° |
| C43 | C44 | N45 | H441 | 125.3° | 120.0° |
| C43 | C44 | N45 | H442 | 125.3° | 120.0° |
| C43 | C44 | H441 | H442 | 117.9° | 120.0° |
| C43 | C44 | N45 | C46 | 174.7° | 180.0° |
| C43 | C44 | N45 | H45 | 49.5° | 0.0° |
| H431 | C43 | C44 | N45 | 49.7° | 60.0° |
| H431 | C43 | C44 | H441 | 175.0° | 180.0° |
| H431 | C43 | C44 | H442 | 75.6° | 60.0° |
| H432 | C43 | C44 | N45 | 59.8° | 60.0° |
| H432 | C43 | C44 | H441 | 65.5° | 60.0° |
| H432 | C43 | C44 | H442 | 174.9° | 180.0° |
| N45 | C44 | H441 | H442 | 117.8° | 120.0° |
| C44 | N45 | C46 | H45 | 125.3° | 180.0° |
| C44 | N45 | C46 | N47 | 0.8° | 180.0° |
| C44 | N45 | C46 | N48 | 179.9° | 0.0° |
| H441 | C44 | N45 | C46 | 49.4° | 60.0° |
| H441 | C44 | N45 | H45 | 75.8° | 119.9° |
| H442 | C44 | N45 | C46 | 60.0° | 60.0° |
| H442 | C44 | N45 | H45 | 174.8° | 120.0° |
| N45 | C46 | N47 | N48 | 179.3° | 180.0° |
| N45 | C46 | N47 | H471 | 180.0° | 180.0° |
| N45 | C46 | N47 | H472 | 54.8° | 0.3° |
| N45 | C46 | N48 | H48 | 95.5° | 0.1° |
| H45 | N45 | C46 | N47 | 126.1° | 0.0° |
| H45 | N45 | C46 | N48 | 54.7° | 180.0° |
| C46 | N47 | H471 | H472 | 125.3° | 179.6° |
| N47 | C46 | N48 | H48 | 85.2° | 180.0° |
| N48 | C46 | N47 | H471 | 0.7° | 0.1° |
| N48 | C46 | N47 | H472 | 124.5° | 179.7° |
| N51 | C52 | O53 | H52 | 180.0° | 180.0° |
| H51 | N51 | C52 | O53 | 177.6° | 180.0° |
| H51 | N51 | C52 | H52 | 2.4° | 0.0° |
