C20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C5 | sing | 1.46Å | 1.48Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C9 | sing | 1.51Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.35Å | 1.33Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| N11 | HN1 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C20 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | doub | 1.38Å | 1.48Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| O21 | HO1 | sing | 0.97Å | 0.95Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| N23 | N31 | sing | 1.37Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| N31 | C32 | sing | 1.35Å | 1.33Å | |
| N31 | HN3 | sing | 0.97Å | 1.02Å | |
| C32 | O33 | doub | 1.21Å | 1.24Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| C34 | N35 | sing | 1.46Å | 1.47Å | |
| C34 | C36 | sing | 1.53Å | 1.55Å | |
| C34 | H34 | sing | 1.09Å | 1.11Å | |
| N35 | C39 | sing | 1.35Å | 1.33Å | |
| N35 | HN5 | sing | 0.97Å | 1.02Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.55Å | |
| C36 | H36 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.12Å | |
| C39 | O40 | doub | 1.21Å | 1.23Å | |
| C39 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 120.3° | 109.5° |
| C2 | C1 | H12A | 108.3° | 109.5° |
| C2 | C1 | H13 | 108.3° | 109.4° |
| C1 | C2 | O3 | 120.3° | 119.9° |
| C1 | C2 | N4 | 116.4° | 120.1° |
| H11 | C1 | H12A | 108.4° | 109.5° |
| H11 | C1 | H13 | 108.3° | 109.4° |
| H12A | C1 | H13 | 101.6° | 109.4° |
| O3 | C2 | N4 | 123.3° | 120.0° |
| C2 | N4 | C5 | 124.6° | 120.1° |
| C2 | N4 | HN4 | 112.3° | 120.0° |
| C5 | N4 | HN4 | 123.2° | 119.9° |
| N4 | C5 | C6 | 110.8° | 109.5° |
| N4 | C5 | C9 | 109.0° | 109.5° |
| N4 | C5 | H5 | 108.9° | 109.4° |
| C6 | C5 | C9 | 109.6° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.4° |
| C5 | C6 | C7 | 112.1° | 109.5° |
| C5 | C6 | C8 | 109.9° | 109.4° |
| C5 | C6 | H6 | 107.8° | 109.6° |
| C9 | C5 | H5 | 110.1° | 109.4° |
| C5 | C9 | O10 | 120.2° | 119.9° |
| C5 | C9 | N11 | 116.6° | 120.0° |
| C7 | C6 | C8 | 110.6° | 109.4° |
| C7 | C6 | H6 | 107.1° | 109.5° |
| C6 | C7 | H71 | 112.1° | 109.5° |
| C6 | C7 | H72 | 111.3° | 109.5° |
| C6 | C7 | H73 | 111.3° | 109.5° |
| C8 | C6 | H6 | 109.4° | 109.4° |
| C6 | C8 | H81 | 109.9° | 109.5° |
| C6 | C8 | H82 | 112.0° | 109.5° |
| C6 | C8 | H83 | 112.0° | 109.5° |
| H71 | C7 | H72 | 111.2° | 109.5° |
| H71 | C7 | H73 | 111.3° | 109.5° |
| H72 | C7 | H73 | 99.1° | 109.4° |
| H81 | C8 | H82 | 112.1° | 109.5° |
| H81 | C8 | H83 | 112.1° | 109.4° |
| H82 | C8 | H83 | 98.4° | 109.4° |
| O10 | C9 | N11 | 123.1° | 120.0° |
| C9 | N11 | C12 | 122.1° | 120.0° |
| C9 | N11 | HN1 | 114.4° | 120.1° |
| C12 | N11 | HN1 | 123.5° | 119.9° |
| N11 | C12 | C13 | 108.6° | 109.5° |
| N11 | C12 | C20 | 112.9° | 109.5° |
| N11 | C12 | H12 | 107.9° | 109.4° |
| C13 | C12 | C20 | 109.7° | 109.5° |
| C13 | C12 | H12 | 111.2° | 109.5° |
| C12 | C13 | C14 | 112.5° | 109.5° |
| C12 | C13 | H131 | 111.1° | 109.4° |
| C12 | C13 | H132 | 111.1° | 109.5° |
| C20 | C12 | H12 | 106.6° | 109.4° |
| C12 | C20 | O21 | 110.6° | 109.4° |
| C12 | C20 | C22 | 110.9° | 109.5° |
| C12 | C20 | H20 | 106.9° | 109.5° |
| C14 | C13 | H131 | 111.1° | 109.4° |
| C14 | C13 | H132 | 111.1° | 109.5° |
| C13 | C14 | C15 | 121.3° | 120.0° |
| C13 | C14 | C19 | 120.3° | 120.0° |
| H131 | C13 | H132 | 99.2° | 109.5° |
| C15 | C14 | C19 | 118.3° | 120.0° |
| C14 | C15 | C16 | 118.9° | 120.0° |
| C14 | C15 | H15 | 124.4° | 120.1° |
| C14 | C19 | C18 | 119.2° | 120.0° |
| C14 | C19 | H19 | 122.8° | 120.0° |
| C16 | C15 | H15 | 116.8° | 120.0° |
| C15 | C16 | C17 | 121.0° | 120.0° |
| C15 | C16 | H16 | 118.3° | 120.0° |
| C17 | C16 | H16 | 120.7° | 120.0° |
| C16 | C17 | C18 | 121.7° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C18 | C17 | H17 | 118.6° | 120.0° |
| C17 | C18 | C19 | 120.9° | 120.0° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.4° | 120.0° |
| C18 | C19 | H19 | 118.0° | 120.0° |
| O21 | C20 | C22 | 106.9° | 109.5° |
| O21 | C20 | H20 | 111.0° | 109.4° |
| C20 | O21 | HO1 | 110.6° | 106.8° |
| C22 | C20 | H20 | 110.6° | 109.5° |
| C20 | C22 | N23 | 111.8° | 109.5° |
| C20 | C22 | H221 | 111.3° | 109.5° |
| C20 | C22 | H222 | 111.4° | 109.4° |
| N23 | C22 | H221 | 111.3° | 109.5° |
| N23 | C22 | H222 | 111.3° | 109.4° |
| C22 | N23 | C24 | 101.3° | 106.7° |
| C22 | N23 | N31 | 108.7° | 106.7° |
| H221 | C22 | H222 | 99.1° | 109.5° |
| C24 | N23 | N31 | 117.0° | 106.7° |
| N23 | C24 | C25 | 121.1° | 109.4° |
| N23 | C24 | H241 | 108.0° | 109.4° |
| N23 | C24 | H242 | 108.0° | 109.4° |
| N23 | N31 | C32 | 123.2° | 120.1° |
| N23 | N31 | HN3 | 123.0° | 119.9° |
| C25 | C24 | H241 | 108.0° | 109.5° |
| C25 | C24 | H242 | 108.0° | 109.5° |
| C24 | C25 | C26 | 99.9° | 109.5° |
| C24 | C25 | C30 | 104.7° | 109.5° |
| C24 | C25 | H25 | 118.1° | 109.5° |
| H241 | C24 | H242 | 101.9° | 109.5° |
| C26 | C25 | C30 | 109.3° | 109.5° |
| C26 | C25 | H25 | 114.1° | 109.5° |
| C25 | C26 | C27 | 114.9° | 109.5° |
| C25 | C26 | H261 | 110.2° | 109.5° |
| C25 | C26 | H262 | 110.2° | 109.4° |
| C30 | C25 | H25 | 109.9° | 109.5° |
| C25 | C30 | C29 | 114.7° | 109.5° |
| C25 | C30 | H301 | 110.3° | 109.5° |
| C25 | C30 | H302 | 110.3° | 109.4° |
| C27 | C26 | H261 | 110.3° | 109.5° |
| C27 | C26 | H262 | 110.2° | 109.4° |
| C26 | C27 | C28 | 110.0° | 109.5° |
| C26 | C27 | H271 | 112.0° | 109.4° |
| C26 | C27 | H272 | 112.0° | 109.5° |
| H261 | C26 | H262 | 100.0° | 109.5° |
| C28 | C27 | H271 | 112.0° | 109.4° |
| C28 | C27 | H272 | 112.0° | 109.5° |
| C27 | C28 | C29 | 109.9° | 109.5° |
| C27 | C28 | H281 | 112.0° | 109.5° |
| C27 | C28 | H282 | 112.0° | 109.5° |
| H271 | C27 | H272 | 98.4° | 109.5° |
| C29 | C28 | H281 | 112.0° | 109.4° |
| C29 | C28 | H282 | 112.0° | 109.4° |
| C28 | C29 | C30 | 110.6° | 109.5° |
| C28 | C29 | H291 | 111.8° | 109.5° |
| C28 | C29 | H292 | 111.8° | 109.5° |
| H281 | C28 | H282 | 98.4° | 109.5° |
| C30 | C29 | H291 | 111.8° | 109.5° |
| C30 | C29 | H292 | 111.8° | 109.5° |
| C29 | C30 | H301 | 110.3° | 109.5° |
| C29 | C30 | H302 | 110.3° | 109.5° |
| H291 | C29 | H292 | 98.6° | 109.5° |
| H301 | C30 | H302 | 100.0° | 109.5° |
| C32 | N31 | HN3 | 113.8° | 120.0° |
| N31 | C32 | O33 | 123.2° | 120.0° |
| N31 | C32 | C34 | 115.5° | 120.1° |
| O33 | C32 | C34 | 121.2° | 120.0° |
| C32 | C34 | N35 | 110.6° | 109.6° |
| C32 | C34 | C36 | 111.2° | 109.5° |
| C32 | C34 | H34 | 108.2° | 109.5° |
| N35 | C34 | C36 | 111.4° | 109.4° |
| N35 | C34 | H34 | 108.0° | 109.4° |
| C34 | N35 | C39 | 122.1° | 120.0° |
| C34 | N35 | HN5 | 124.1° | 120.0° |
| C36 | C34 | H34 | 107.2° | 109.4° |
| C34 | C36 | C37 | 111.0° | 109.5° |
| C34 | C36 | C38 | 109.4° | 109.4° |
| C34 | C36 | H36 | 108.7° | 109.5° |
| C39 | N35 | HN5 | 113.8° | 120.0° |
| N35 | C39 | O40 | 122.3° | 120.0° |
| N35 | C39 | C41 | 118.7° | 120.0° |
| C37 | C36 | C38 | 110.2° | 109.5° |
| C37 | C36 | H36 | 108.0° | 109.5° |
| C36 | C37 | H371 | 111.0° | 109.6° |
| C36 | C37 | H372 | 111.6° | 109.5° |
| C36 | C37 | H373 | 111.6° | 109.5° |
| C38 | C36 | H36 | 109.5° | 109.5° |
| C36 | C38 | H381 | 109.4° | 109.5° |
| C36 | C38 | H382 | 112.2° | 109.5° |
| C36 | C38 | H383 | 112.2° | 109.5° |
| H371 | C37 | H372 | 111.7° | 109.4° |
| H371 | C37 | H373 | 111.6° | 109.4° |
| H372 | C37 | H373 | 98.8° | 109.4° |
| H381 | C38 | H382 | 112.2° | 109.5° |
| H381 | C38 | H383 | 112.2° | 109.4° |
| H382 | C38 | H383 | 98.2° | 109.4° |
| O40 | C39 | C41 | 119.0° | 120.0° |
| C39 | C41 | H411 | 118.7° | 109.5° |
| C39 | C41 | H412 | 108.9° | 109.5° |
| C39 | C41 | H413 | 108.8° | 109.5° |
| H411 | C41 | H412 | 108.9° | 109.5° |
| H411 | C41 | H413 | 108.9° | 109.5° |
| H412 | C41 | H413 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12A | 125.3° | 120.1° |
| C2 | C1 | H11 | H13 | 125.2° | 119.9° |
| C2 | C1 | H12A | H13 | 114.0° | 120.0° |
| C1 | C2 | O3 | N4 | 179.0° | 180.0° |
| C1 | C2 | N4 | C5 | 179.3° | 180.0° |
| C1 | C2 | N4 | HN4 | 0.7° | 0.1° |
| H11 | C1 | H12A | H13 | 114.0° | 120.0° |
| H11 | C1 | C2 | O3 | 180.0° | 120.1° |
| H11 | C1 | C2 | N4 | 0.9° | 60.0° |
| H12A | C1 | C2 | O3 | 54.7° | 0.0° |
| H12A | C1 | C2 | N4 | 126.2° | 179.9° |
| H13 | C1 | C2 | O3 | 54.7° | 120.0° |
| H13 | C1 | C2 | N4 | 124.3° | 60.0° |
| O3 | C2 | N4 | C5 | 0.3° | 0.1° |
| O3 | C2 | N4 | HN4 | 179.7° | 179.9° |
| C2 | N4 | C5 | HN4 | 179.9° | 179.9° |
| C2 | N4 | C5 | C6 | 119.6° | 89.9° |
| C2 | N4 | C5 | C9 | 119.7° | 150.0° |
| C2 | N4 | C5 | H5 | 0.5° | 30.1° |
| N4 | C5 | C6 | C9 | 120.4° | 120.1° |
| N4 | C5 | C6 | H5 | 119.5° | 120.0° |
| N4 | C5 | C9 | H5 | 119.5° | 120.0° |
| N4 | C5 | C6 | C7 | 178.4° | 65.3° |
| N4 | C5 | C6 | C8 | 58.3° | 54.6° |
| N4 | C5 | C6 | H6 | 60.8° | 174.5° |
| N4 | C5 | C9 | O10 | 77.7° | 17.5° |
| N4 | C5 | C9 | N11 | 105.3° | 162.5° |
| HN4 | N4 | C5 | C6 | 60.5° | 90.0° |
| HN4 | N4 | C5 | C9 | 60.2° | 30.1° |
| HN4 | N4 | C5 | H5 | 179.5° | 150.1° |
| C6 | C5 | C9 | H5 | 119.1° | 119.9° |
| C5 | C6 | C7 | C8 | 123.0° | 119.9° |
| C5 | C6 | C7 | H6 | 118.0° | 120.2° |
| C5 | C6 | C8 | H6 | 118.1° | 120.0° |
| C5 | C6 | C7 | H71 | 180.0° | 179.9° |
| C5 | C6 | C7 | H72 | 54.7° | 60.0° |
| C5 | C6 | C7 | H73 | 54.7° | 59.9° |
| C5 | C6 | C8 | H81 | 180.0° | 64.1° |
| C5 | C6 | C8 | H82 | 54.8° | 56.0° |
| C5 | C6 | C8 | H83 | 54.8° | 175.9° |
| C6 | C5 | C9 | O10 | 43.7° | 102.6° |
| C6 | C5 | C9 | N11 | 133.2° | 77.3° |
| C9 | C5 | C6 | C7 | 58.0° | 174.6° |
| C9 | C5 | C6 | C8 | 178.6° | 65.5° |
| C9 | C5 | C6 | H6 | 59.5° | 54.4° |
| C5 | C9 | O10 | N11 | 176.7° | 179.9° |
| C5 | C9 | N11 | C12 | 178.3° | 175.2° |
| C5 | C9 | N11 | HN1 | 1.7° | 4.7° |
| H5 | C5 | C6 | C7 | 62.2° | 54.7° |
| H5 | C5 | C6 | C8 | 61.2° | 174.6° |
| H5 | C5 | C6 | H6 | 179.7° | 65.5° |
| H5 | C5 | C9 | O10 | 162.8° | 137.5° |
| H5 | C5 | C9 | N11 | 14.1° | 42.6° |
| C7 | C6 | C8 | H6 | 117.6° | 120.0° |
| C6 | C7 | H71 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H73 | 125.3° | 120.1° |
| C6 | C7 | H72 | H73 | 117.1° | 120.0° |
| C7 | C6 | C8 | H81 | 55.7° | 55.9° |
| C7 | C6 | C8 | H82 | 69.5° | 176.0° |
| C7 | C6 | C8 | H83 | 179.0° | 64.1° |
| C8 | C6 | C7 | H71 | 57.0° | 60.0° |
| C8 | C6 | C7 | H72 | 177.7° | 179.9° |
| C8 | C6 | C7 | H73 | 68.3° | 60.0° |
| C6 | C8 | H81 | H82 | 125.2° | 120.0° |
| C6 | C8 | H81 | H83 | 125.2° | 120.0° |
| C6 | C8 | H82 | H83 | 117.9° | 120.0° |
| H6 | C6 | C7 | H71 | 62.0° | 59.9° |
| H6 | C6 | C7 | H72 | 63.2° | 60.1° |
| H6 | C6 | C7 | H73 | 172.7° | 180.0° |
| H6 | C6 | C8 | H81 | 61.9° | 175.9° |
| H6 | C6 | C8 | H82 | 172.9° | 64.1° |
| H6 | C6 | C8 | H83 | 63.4° | 55.9° |
| H71 | C7 | H72 | H73 | 117.1° | 120.0° |
| H81 | C8 | H82 | H83 | 118.1° | 120.0° |
| O10 | C9 | N11 | C12 | 4.9° | 4.8° |
| O10 | C9 | N11 | HN1 | 175.1° | 175.3° |
| C9 | N11 | C12 | HN1 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 116.6° | 89.9° |
| C9 | N11 | C12 | C20 | 121.5° | 150.0° |
| C9 | N11 | C12 | H12 | 3.9° | 30.1° |
| N11 | C12 | C13 | C20 | 123.8° | 120.1° |
| N11 | C12 | C13 | H12 | 118.5° | 120.0° |
| N11 | C12 | C20 | H12 | 118.3° | 119.9° |
| N11 | C12 | C13 | C14 | 50.8° | 59.9° |
| N11 | C12 | C13 | H131 | 74.5° | 60.0° |
| N11 | C12 | C13 | H132 | 176.1° | 180.0° |
| N11 | C12 | C20 | O21 | 49.8° | 60.1° |
| N11 | C12 | C20 | C22 | 68.6° | 59.9° |
| N11 | C12 | C20 | H20 | 170.7° | 180.0° |
| HN1 | N11 | C12 | C13 | 63.4° | 90.0° |
| HN1 | N11 | C12 | C20 | 58.5° | 30.1° |
| HN1 | N11 | C12 | H12 | 176.1° | 150.0° |
| C13 | C12 | C20 | H12 | 120.5° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 119.9° |
| C12 | C13 | C14 | H132 | 125.2° | 120.1° |
| C12 | C13 | H131 | H132 | 117.0° | 120.0° |
| C12 | C13 | C14 | C15 | 110.3° | 89.9° |
| C12 | C13 | C14 | C19 | 73.1° | 90.4° |
| C13 | C12 | C20 | O21 | 71.4° | 60.0° |
| C13 | C12 | C20 | C22 | 170.1° | 180.0° |
| C13 | C12 | C20 | H20 | 49.5° | 59.9° |
| C20 | C12 | C13 | C14 | 174.6° | 180.0° |
| C20 | C12 | C13 | H131 | 49.3° | 60.0° |
| C20 | C12 | C13 | H132 | 60.1° | 59.9° |
| C12 | C20 | O21 | C22 | 120.8° | 120.0° |
| C12 | C20 | O21 | H20 | 118.5° | 120.0° |
| C12 | C20 | C22 | H20 | 118.5° | 120.1° |
| C12 | C20 | O21 | HO1 | 180.0° | 60.1° |
| C12 | C20 | C22 | N23 | 67.5° | 180.0° |
| C12 | C20 | C22 | H221 | 167.3° | 59.9° |
| C12 | C20 | C22 | H222 | 57.7° | 60.0° |
| H12 | C12 | C13 | C14 | 67.7° | 60.0° |
| H12 | C12 | C13 | H131 | 167.0° | 180.0° |
| H12 | C12 | C13 | H132 | 57.6° | 60.0° |
| H12 | C12 | C20 | O21 | 168.1° | 180.0° |
| H12 | C12 | C20 | C22 | 49.7° | 60.0° |
| H12 | C12 | C20 | H20 | 71.0° | 60.1° |
| C14 | C13 | H131 | H132 | 117.0° | 120.0° |
| C13 | C14 | C15 | C19 | 176.7° | 179.7° |
| C13 | C14 | C15 | C16 | 176.6° | 180.0° |
| C13 | C14 | C15 | H15 | 3.3° | 0.0° |
| C13 | C14 | C19 | C18 | 176.6° | 179.8° |
| C13 | C14 | C19 | H19 | 3.4° | 0.3° |
| H131 | C13 | C14 | C15 | 15.0° | 30.0° |
| H131 | C13 | C14 | C19 | 161.6° | 149.7° |
| H132 | C13 | C14 | C15 | 124.5° | 150.0° |
| H132 | C13 | C14 | C19 | 52.1° | 29.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C19 | C18 | 0.2° | 0.5° |
| C15 | C14 | C19 | H19 | 179.9° | 180.0° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | H15 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.2° | 0.4° |
| C14 | C19 | C18 | H19 | 180.0° | 179.6° |
| C14 | C19 | C18 | H18 | 179.7° | 179.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| H15 | C15 | C16 | C17 | 180.0° | 179.9° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C16 | C17 | C18 | H18 | 179.7° | 179.9° |
| H16 | C16 | C17 | C18 | 179.9° | 179.9° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| H17 | C17 | C18 | C19 | 179.8° | 179.9° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
| H18 | C18 | C19 | H19 | 0.3° | 0.1° |
| O21 | C20 | C22 | H20 | 120.9° | 119.9° |
| O21 | C20 | C22 | N23 | 171.9° | 60.0° |
| O21 | C20 | C22 | H221 | 46.7° | 60.0° |
| O21 | C20 | C22 | H222 | 62.9° | 180.0° |
| C22 | C20 | O21 | HO1 | 59.2° | 60.0° |
| C20 | C22 | N23 | H221 | 125.2° | 120.0° |
| C20 | C22 | N23 | H222 | 125.3° | 120.0° |
| C20 | C22 | H221 | H222 | 117.3° | 120.0° |
| C20 | C22 | N23 | C24 | 173.6° | 173.8° |
| C20 | C22 | N23 | N31 | 62.6° | 59.9° |
| H20 | C20 | O21 | HO1 | 61.5° | 180.0° |
| H20 | C20 | C22 | N23 | 51.0° | 59.9° |
| H20 | C20 | C22 | H221 | 74.3° | 180.0° |
| H20 | C20 | C22 | H222 | 176.2° | 60.1° |
| N23 | C22 | H221 | H222 | 117.2° | 120.0° |
| C22 | N23 | C24 | N31 | 118.0° | 113.8° |
| C22 | N23 | C24 | C25 | 153.0° | 72.6° |
| C22 | N23 | C24 | H241 | 27.7° | 47.3° |
| C22 | N23 | C24 | H242 | 81.8° | 167.3° |
| C22 | N23 | N31 | C32 | 142.2° | 125.7° |
| C22 | N23 | N31 | HN3 | 37.8° | 54.5° |
| H221 | C22 | N23 | C24 | 61.2° | 66.2° |
| H221 | C22 | N23 | N31 | 62.6° | 180.0° |
| H222 | C22 | N23 | C24 | 48.3° | 53.8° |
| H222 | C22 | N23 | N31 | 172.1° | 60.0° |
| N23 | C24 | C25 | H241 | 125.3° | 119.9° |
| N23 | C24 | C25 | H242 | 125.2° | 120.0° |
| N23 | C24 | H241 | H242 | 113.7° | 120.0° |
| N23 | C24 | C25 | C26 | 169.4° | 174.0° |
| N23 | C24 | C25 | C30 | 77.6° | 66.0° |
| N23 | C24 | C25 | H25 | 45.1° | 54.0° |
| C24 | N23 | N31 | C32 | 104.0° | 120.5° |
| C24 | N23 | N31 | HN3 | 76.0° | 59.4° |
| N31 | N23 | C24 | C25 | 35.0° | 173.5° |
| N31 | N23 | C24 | H241 | 90.3° | 66.5° |
| N31 | N23 | C24 | H242 | 160.2° | 53.5° |
| N23 | N31 | C32 | HN3 | 180.0° | 179.9° |
| N23 | N31 | C32 | O33 | 8.1° | 3.9° |
| N23 | N31 | C32 | C34 | 170.3° | 176.2° |
| C25 | C24 | H241 | H242 | 113.7° | 120.1° |
| C24 | C25 | C26 | C30 | 109.5° | 120.0° |
| C24 | C25 | C26 | H25 | 127.0° | 120.0° |
| C24 | C25 | C30 | H25 | 127.8° | 120.0° |
| C24 | C25 | C26 | C27 | 158.2° | 180.0° |
| C24 | C25 | C26 | H261 | 32.9° | 60.0° |
| C24 | C25 | C26 | H262 | 76.6° | 60.0° |
| C24 | C25 | C30 | C29 | 155.1° | 180.0° |
| C24 | C25 | C30 | H301 | 79.6° | 59.9° |
| C24 | C25 | C30 | H302 | 29.8° | 60.0° |
| H241 | C24 | C25 | C26 | 65.4° | 54.1° |
| H241 | C24 | C25 | C30 | 47.7° | 174.0° |
| H241 | C24 | C25 | H25 | 170.3° | 65.9° |
| H242 | C24 | C25 | C26 | 44.1° | 66.0° |
| H242 | C24 | C25 | C30 | 157.2° | 53.9° |
| H242 | C24 | C25 | H25 | 80.2° | 174.0° |
| C26 | C25 | C30 | H25 | 126.0° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.2° | 119.9° |
| C25 | C26 | H261 | H262 | 116.1° | 120.0° |
| C25 | C26 | C27 | C28 | 54.9° | 60.0° |
| C25 | C26 | C27 | H271 | 179.8° | 60.0° |
| C25 | C26 | C27 | H272 | 70.3° | 180.0° |
| C26 | C25 | C30 | C29 | 48.9° | 60.0° |
| C26 | C25 | C30 | H301 | 174.1° | 60.0° |
| C26 | C25 | C30 | H302 | 76.4° | 180.0° |
| C30 | C25 | C26 | C27 | 48.7° | 60.0° |
| C30 | C25 | C26 | H261 | 76.5° | 180.0° |
| C30 | C25 | C26 | H262 | 174.0° | 60.0° |
| C25 | C30 | C29 | C28 | 55.5° | 60.0° |
| C25 | C30 | C29 | H301 | 125.2° | 120.1° |
| C25 | C30 | C29 | H302 | 125.3° | 119.9° |
| C25 | C30 | C29 | H291 | 179.2° | 59.9° |
| C25 | C30 | C29 | H292 | 69.8° | 180.0° |
| C25 | C30 | H301 | H302 | 116.1° | 120.0° |
| H25 | C25 | C26 | C27 | 74.8° | 60.0° |
| H25 | C25 | C26 | H261 | 159.9° | 60.0° |
| H25 | C25 | C26 | H262 | 50.4° | 180.0° |
| H25 | C25 | C30 | C29 | 77.1° | 60.0° |
| H25 | C25 | C30 | H301 | 48.2° | 180.0° |
| H25 | C25 | C30 | H302 | 157.7° | 60.0° |
| C27 | C26 | H261 | H262 | 116.1° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 119.9° |
| C26 | C27 | C28 | H272 | 125.2° | 120.1° |
| C26 | C27 | H271 | H272 | 117.9° | 120.0° |
| C26 | C27 | C28 | C29 | 58.3° | 60.0° |
| C26 | C27 | C28 | H281 | 66.9° | 180.0° |
| C26 | C27 | C28 | H282 | 176.5° | 60.0° |
| H261 | C26 | C27 | C28 | 70.4° | 180.0° |
| H261 | C26 | C27 | H271 | 54.9° | 60.0° |
| H261 | C26 | C27 | H272 | 164.4° | 60.0° |
| H262 | C26 | C27 | C28 | 179.9° | 60.0° |
| H262 | C26 | C27 | H271 | 54.6° | 179.9° |
| H262 | C26 | C27 | H272 | 54.9° | 60.1° |
| C28 | C27 | H271 | H272 | 117.9° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 120.0° |
| C27 | C28 | C29 | H282 | 125.2° | 120.0° |
| C27 | C28 | H281 | H282 | 118.0° | 120.0° |
| C27 | C28 | C29 | C30 | 59.0° | 60.0° |
| C27 | C28 | C29 | H291 | 175.8° | 60.0° |
| C27 | C28 | C29 | H292 | 66.3° | 180.0° |
| H271 | C27 | C28 | C29 | 176.4° | 60.0° |
| H271 | C27 | C28 | H281 | 58.4° | 60.0° |
| H271 | C27 | C28 | H282 | 51.2° | 180.0° |
| H272 | C27 | C28 | C29 | 66.9° | 180.0° |
| H272 | C27 | C28 | H281 | 167.9° | 60.0° |
| H272 | C27 | C28 | H282 | 58.3° | 60.1° |
| C29 | C28 | H281 | H282 | 118.0° | 119.9° |
| C28 | C29 | C30 | H291 | 125.3° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 117.7° | 120.0° |
| C28 | C29 | C30 | H301 | 179.3° | 60.0° |
| C28 | C29 | C30 | H302 | 69.8° | 180.0° |
| H281 | C28 | C29 | C30 | 66.3° | 180.0° |
| H281 | C28 | C29 | H291 | 59.0° | 60.0° |
| H281 | C28 | C29 | H292 | 168.5° | 60.0° |
| H282 | C28 | C29 | C30 | 175.8° | 60.0° |
| H282 | C28 | C29 | H291 | 50.5° | 180.0° |
| H282 | C28 | C29 | H292 | 58.9° | 60.0° |
| C30 | C29 | H291 | H292 | 117.7° | 120.0° |
| C29 | C30 | H301 | H302 | 116.1° | 120.0° |
| H291 | C29 | C30 | H301 | 54.0° | 180.0° |
| H291 | C29 | C30 | H302 | 55.5° | 60.0° |
| H292 | C29 | C30 | H301 | 55.5° | 60.0° |
| H292 | C29 | C30 | H302 | 165.0° | 60.0° |
| N31 | C32 | O33 | C34 | 178.3° | 179.9° |
| N31 | C32 | C34 | N35 | 95.5° | 153.2° |
| N31 | C32 | C34 | C36 | 140.2° | 86.8° |
| N31 | C32 | C34 | H34 | 22.6° | 33.1° |
| HN3 | N31 | C32 | O33 | 171.9° | 176.2° |
| HN3 | N31 | C32 | C34 | 9.7° | 3.7° |
| O33 | C32 | C34 | N35 | 82.9° | 26.7° |
| O33 | C32 | C34 | C36 | 41.4° | 93.3° |
| O33 | C32 | C34 | H34 | 159.0° | 146.8° |
| C32 | C34 | N35 | C36 | 124.2° | 120.1° |
| C32 | C34 | N35 | H34 | 118.2° | 120.1° |
| C32 | C34 | C36 | H34 | 118.2° | 120.0° |
| C32 | C34 | N35 | C39 | 118.9° | 149.9° |
| C32 | C34 | N35 | HN5 | 61.1° | 30.0° |
| C32 | C34 | C36 | C37 | 53.2° | 58.0° |
| C32 | C34 | C36 | C38 | 175.0° | 62.0° |
| C32 | C34 | C36 | H36 | 65.4° | 178.0° |
| N35 | C34 | C36 | H34 | 118.0° | 119.9° |
| C34 | N35 | C39 | HN5 | 180.0° | 179.9° |
| N35 | C34 | C36 | C37 | 177.1° | 62.1° |
| N35 | C34 | C36 | C38 | 61.1° | 177.9° |
| N35 | C34 | C36 | H36 | 58.4° | 57.9° |
| C34 | N35 | C39 | O40 | 4.0° | 0.1° |
| C34 | N35 | C39 | C41 | 176.5° | 180.0° |
| C36 | C34 | N35 | C39 | 116.9° | 90.0° |
| C36 | C34 | N35 | HN5 | 63.1° | 90.1° |
| C34 | C36 | C37 | C38 | 121.4° | 119.9° |
| C34 | C36 | C37 | H36 | 119.1° | 120.0° |
| C34 | C36 | C38 | H36 | 119.1° | 120.0° |
| C34 | C36 | C37 | H371 | 180.0° | 174.6° |
| C34 | C36 | C37 | H372 | 54.7° | 54.6° |
| C34 | C36 | C37 | H373 | 54.8° | 65.4° |
| C34 | C36 | C38 | H381 | 180.0° | 61.5° |
| C34 | C36 | C38 | H382 | 54.8° | 58.6° |
| C34 | C36 | C38 | H383 | 54.8° | 178.5° |
| H34 | C34 | N35 | C39 | 0.7° | 29.9° |
| H34 | C34 | N35 | HN5 | 179.4° | 150.0° |
| H34 | C34 | C36 | C37 | 64.9° | 178.0° |
| H34 | C34 | C36 | C38 | 56.9° | 58.0° |
| H34 | C34 | C36 | H36 | 176.4° | 62.0° |
| N35 | C39 | O40 | C41 | 179.5° | 179.9° |
| N35 | C39 | C41 | H411 | 179.9° | 180.0° |
| N35 | C39 | C41 | H412 | 54.7° | 60.0° |
| N35 | C39 | C41 | H413 | 54.7° | 60.0° |
| HN5 | N35 | C39 | O40 | 176.0° | 180.0° |
| HN5 | N35 | C39 | C41 | 3.5° | 0.1° |
| C37 | C36 | C38 | H36 | 118.6° | 120.0° |
| C36 | C37 | H371 | H372 | 125.3° | 120.1° |
| C36 | C37 | H371 | H373 | 125.2° | 120.1° |
| C36 | C37 | H372 | H373 | 117.6° | 120.1° |
| C37 | C36 | C38 | H381 | 57.7° | 58.5° |
| C37 | C36 | C38 | H382 | 67.5° | 178.6° |
| C37 | C36 | C38 | H383 | 177.1° | 61.5° |
| C38 | C36 | C37 | H371 | 58.6° | 65.5° |
| C38 | C36 | C37 | H372 | 176.1° | 174.5° |
| C38 | C36 | C37 | H373 | 66.6° | 54.6° |
| C36 | C38 | H381 | H382 | 125.2° | 120.1° |
| C36 | C38 | H381 | H383 | 125.2° | 120.0° |
| C36 | C38 | H382 | H383 | 118.2° | 120.0° |
| H36 | C36 | C37 | H371 | 60.9° | 54.5° |
| H36 | C36 | C37 | H372 | 64.3° | 65.4° |
| H36 | C36 | C37 | H373 | 173.8° | 174.6° |
| H36 | C36 | C38 | H381 | 60.9° | 178.5° |
| H36 | C36 | C38 | H382 | 173.8° | 61.4° |
| H36 | C36 | C38 | H383 | 64.3° | 58.5° |
| H371 | C37 | H372 | H373 | 117.5° | 119.9° |
| H381 | C38 | H382 | H383 | 118.1° | 119.9° |
| O40 | C39 | C41 | H411 | 0.5° | 0.0° |
| O40 | C39 | C41 | H412 | 125.8° | 120.0° |
| O40 | C39 | C41 | H413 | 124.8° | 120.0° |
| C39 | C41 | H411 | H412 | 125.3° | 120.0° |
| C39 | C41 | H411 | H413 | 125.2° | 120.0° |
| C39 | C41 | H412 | H413 | 114.5° | 120.0° |
| H411 | C41 | H412 | H413 | 114.6° | 120.0° |
