AO3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | O14 | sing | 1.43Å | 1.37Å | |
| C1 | H2 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | N2 | sing | 1.47Å | 1.45Å | |
| C2 | H6 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O5 | sing | 1.43Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | O7 | doub | 1.21Å | 1.22Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | O15 | sing | 1.43Å | 1.41Å | |
| C11 | O24 | sing | 1.43Å | 1.39Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | N12 | sing | 1.47Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.60Å | |
| C13 | O13 | sing | 1.43Å | 1.44Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O14 | sing | 1.43Å | 1.46Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | O15 | sing | 1.43Å | 1.43Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C16 | O16 | sing | 1.43Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | N12 | sing | 1.35Å | 1.33Å | |
| C17 | O17 | doub | 1.21Å | 1.25Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| N12 | H8 | sing | 0.97Å | 1.02Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| O16 | H16 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C21 | C25 | sing | 1.55Å | 1.53Å | |
| C21 | O27 | sing | 1.45Å | 1.43Å | |
| C21 | H21 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.54Å | 1.51Å | |
| C22 | N22 | sing | 1.47Å | 1.45Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.45Å | |
| C23 | O23 | sing | 1.43Å | 1.43Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C24 | O24 | sing | 1.43Å | 1.41Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | O26 | sing | 1.43Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | N22 | doub | 1.30Å | 1.39Å | |
| C27 | N27 | sing | 1.37Å | 1.37Å | |
| C27 | O27 | sing | 1.35Å | 1.36Å | |
| C28 | N27 | sing | 1.46Å | 1.41Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | N27 | sing | 1.46Å | 1.43Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O5 | 110.9° | 109.7° |
| C2 | C1 | O14 | 113.2° | 109.5° |
| C2 | C1 | H2 | 104.3° | 109.4° |
| C1 | C2 | C3 | 115.0° | 109.1° |
| C1 | C2 | N2 | 109.7° | 109.5° |
| C1 | C2 | H6 | 104.5° | 109.6° |
| O5 | C1 | O14 | 104.0° | 109.4° |
| O5 | C1 | H2 | 113.4° | 109.4° |
| C1 | O5 | C5 | 111.2° | 107.6° |
| O14 | C1 | H2 | 111.2° | 109.4° |
| C1 | O14 | C14 | 115.3° | 106.8° |
| C3 | C2 | N2 | 106.3° | 109.6° |
| C3 | C2 | H6 | 108.0° | 109.6° |
| C2 | C3 | C4 | 107.7° | 108.6° |
| C2 | C3 | O3 | 110.8° | 109.8° |
| C2 | C3 | H3 | 109.9° | 109.6° |
| N2 | C2 | H6 | 113.5° | 109.5° |
| C2 | N2 | C7 | 121.7° | 120.0° |
| C2 | N2 | HN2 | 123.6° | 120.0° |
| C4 | C3 | O3 | 109.8° | 109.6° |
| C4 | C3 | H3 | 110.8° | 109.6° |
| C3 | C4 | C5 | 112.9° | 109.0° |
| C3 | C4 | O4 | 108.0° | 109.6° |
| C3 | C4 | H4 | 107.9° | 109.5° |
| O3 | C3 | H3 | 107.8° | 109.6° |
| C3 | O3 | HO3 | 110.8° | 106.8° |
| C5 | C4 | O4 | 108.8° | 109.6° |
| C5 | C4 | H4 | 107.2° | 109.6° |
| C4 | C5 | C6 | 120.2° | 109.4° |
| C4 | C5 | O5 | 109.2° | 109.8° |
| C4 | C5 | H5 | 100.8° | 109.5° |
| O4 | C4 | H4 | 112.1° | 109.5° |
| C4 | O4 | HO4 | 108.0° | 106.8° |
| C6 | C5 | O5 | 105.6° | 109.4° |
| C6 | C5 | H5 | 104.8° | 109.3° |
| C5 | C6 | O6 | 111.5° | 109.5° |
| C5 | C6 | H61 | 111.4° | 109.5° |
| C5 | C6 | H62 | 111.4° | 109.4° |
| O5 | C5 | H5 | 116.8° | 109.4° |
| O6 | C6 | H61 | 111.5° | 109.5° |
| O6 | C6 | H62 | 111.5° | 109.4° |
| C6 | O6 | HO6 | 111.5° | 106.8° |
| H61 | C6 | H62 | 99.0° | 109.5° |
| C8 | C7 | N2 | 120.9° | 119.9° |
| C8 | C7 | O7 | 118.7° | 120.1° |
| C7 | C8 | H81 | 120.9° | 109.5° |
| C7 | C8 | H82 | 108.1° | 109.4° |
| C7 | C8 | H83 | 108.1° | 109.5° |
| N2 | C7 | O7 | 120.3° | 120.0° |
| C7 | N2 | HN2 | 114.7° | 120.0° |
| H81 | C8 | H82 | 108.0° | 109.4° |
| H81 | C8 | H83 | 108.2° | 109.5° |
| H82 | C8 | H83 | 101.8° | 109.4° |
| C12 | C11 | O15 | 110.2° | 109.8° |
| C12 | C11 | O24 | 107.5° | 109.4° |
| C12 | C11 | H11 | 110.1° | 109.4° |
| C11 | C12 | C13 | 111.1° | 109.0° |
| C11 | C12 | N12 | 107.1° | 109.5° |
| C11 | C12 | H12 | 110.3° | 109.6° |
| O15 | C11 | O24 | 108.7° | 109.4° |
| O15 | C11 | H11 | 108.9° | 109.4° |
| C11 | O15 | C15 | 113.4° | 107.6° |
| O24 | C11 | H11 | 111.6° | 109.4° |
| C11 | O24 | C24 | 123.8° | 106.8° |
| C13 | C12 | N12 | 110.1° | 109.5° |
| C13 | C12 | H12 | 107.2° | 109.6° |
| C12 | C13 | C14 | 105.3° | 108.6° |
| C12 | C13 | O13 | 113.5° | 109.8° |
| C12 | C13 | H13 | 109.7° | 109.6° |
| N12 | C12 | H12 | 111.2° | 109.6° |
| C12 | N12 | C17 | 123.8° | 119.9° |
| C12 | N12 | H8 | 123.3° | 120.1° |
| C14 | C13 | O13 | 109.7° | 109.6° |
| C14 | C13 | H13 | 113.5° | 109.6° |
| C13 | C14 | C15 | 110.4° | 109.0° |
| C13 | C14 | O14 | 111.6° | 109.6° |
| C13 | C14 | H14 | 106.7° | 109.5° |
| O13 | C13 | H13 | 105.3° | 109.6° |
| C13 | O13 | H7 | 113.5° | 106.8° |
| C15 | C14 | O14 | 107.3° | 109.5° |
| C15 | C14 | H14 | 111.1° | 109.6° |
| C14 | C15 | C16 | 119.7° | 109.4° |
| C14 | C15 | O15 | 110.2° | 109.8° |
| C14 | C15 | H15 | 100.1° | 109.5° |
| O14 | C14 | H14 | 109.8° | 109.6° |
| C16 | C15 | O15 | 104.5° | 109.4° |
| C16 | C15 | H15 | 106.3° | 109.5° |
| C15 | C16 | O16 | 111.7° | 109.5° |
| C15 | C16 | H161 | 111.4° | 109.5° |
| C15 | C16 | H162 | 111.4° | 109.5° |
| O15 | C15 | H15 | 116.6° | 109.4° |
| O16 | C16 | H161 | 111.4° | 109.5° |
| O16 | C16 | H162 | 111.4° | 109.5° |
| C16 | O16 | H16 | 111.7° | 106.8° |
| H161 | C16 | H162 | 98.9° | 109.5° |
| C18 | C17 | N12 | 114.9° | 120.0° |
| C18 | C17 | O17 | 122.2° | 120.0° |
| C17 | C18 | H181 | 114.9° | 109.5° |
| C17 | C18 | H182 | 110.2° | 109.5° |
| C17 | C18 | H183 | 110.2° | 109.5° |
| N12 | C17 | O17 | 122.9° | 120.0° |
| C17 | N12 | H8 | 113.0° | 120.0° |
| H181 | C18 | H182 | 110.2° | 109.4° |
| H181 | C18 | H183 | 110.3° | 109.5° |
| H182 | C18 | H183 | 100.1° | 109.5° |
| C22 | C21 | C25 | 106.7° | 104.8° |
| C22 | C21 | O27 | 103.9° | 100.7° |
| C22 | C21 | H21 | 118.0° | 114.0° |
| C21 | C22 | C23 | 100.4° | 105.7° |
| C21 | C22 | N22 | 107.5° | 101.9° |
| C21 | C22 | H22 | 114.4° | 113.0° |
| C25 | C21 | O27 | 117.8° | 108.9° |
| C25 | C21 | H21 | 104.2° | 113.3° |
| C21 | C25 | C24 | 102.7° | 107.7° |
| C21 | C25 | C26 | 111.9° | 109.9° |
| C21 | C25 | H25 | 115.1° | 109.7° |
| O27 | C21 | H21 | 107.0° | 114.0° |
| C21 | O27 | C27 | 109.8° | 107.5° |
| C23 | C22 | N22 | 103.1° | 110.1° |
| C23 | C22 | H22 | 118.1° | 112.7° |
| C22 | C23 | C24 | 102.6° | 106.3° |
| C22 | C23 | O23 | 103.0° | 110.1° |
| C22 | C23 | H23 | 123.2° | 110.1° |
| N22 | C22 | H22 | 112.0° | 112.8° |
| C22 | N22 | C27 | 105.5° | 108.3° |
| C24 | C23 | O23 | 122.7° | 110.2° |
| C24 | C23 | H23 | 103.8° | 110.1° |
| C23 | C24 | C25 | 101.1° | 107.2° |
| C23 | C24 | O24 | 109.9° | 109.9° |
| C23 | C24 | H24 | 115.4° | 109.9° |
| O23 | C23 | H23 | 103.4° | 110.1° |
| C23 | O23 | H1 | 103.0° | 106.8° |
| C25 | C24 | O24 | 112.0° | 110.0° |
| C25 | C24 | H24 | 113.5° | 109.9° |
| C24 | C25 | C26 | 116.5° | 109.8° |
| C24 | C25 | H25 | 110.3° | 109.8° |
| O24 | C24 | H24 | 105.1° | 109.9° |
| C26 | C25 | H25 | 100.9° | 109.9° |
| C25 | C26 | O26 | 107.1° | 109.4° |
| C25 | C26 | H261 | 113.1° | 109.5° |
| C25 | C26 | H262 | 113.1° | 109.4° |
| O26 | C26 | H261 | 113.1° | 109.5° |
| O26 | C26 | H262 | 113.1° | 109.5° |
| C26 | O26 | H26 | 107.1° | 106.8° |
| H261 | C26 | H262 | 97.4° | 109.5° |
| N22 | C27 | N27 | 131.8° | 123.1° |
| N22 | C27 | O27 | 113.0° | 113.8° |
| N27 | C27 | O27 | 115.1° | 123.1° |
| C27 | N27 | C28 | 121.9° | 120.0° |
| C27 | N27 | C29 | 121.6° | 120.0° |
| N27 | C28 | H281 | 121.9° | 109.5° |
| N27 | C28 | H282 | 107.8° | 109.5° |
| N27 | C28 | H283 | 107.8° | 109.5° |
| C28 | N27 | C29 | 116.5° | 120.0° |
| H281 | C28 | H282 | 107.8° | 109.4° |
| H281 | C28 | H283 | 107.7° | 109.5° |
| H282 | C28 | H283 | 102.1° | 109.4° |
| N27 | C29 | H291 | 121.6° | 109.5° |
| N27 | C29 | H292 | 107.9° | 109.4° |
| N27 | C29 | H293 | 107.9° | 109.5° |
| H291 | C29 | H292 | 107.9° | 109.5° |
| H291 | C29 | H293 | 107.9° | 109.5° |
| H292 | C29 | H293 | 102.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O5 | O14 | 122.0° | 120.1° |
| C2 | C1 | O5 | H2 | 117.0° | 120.0° |
| C2 | C1 | O14 | H2 | 117.1° | 119.9° |
| C1 | C2 | C3 | N2 | 121.7° | 119.9° |
| C1 | C2 | C3 | H6 | 116.2° | 119.9° |
| C1 | C2 | N2 | H6 | 116.5° | 120.2° |
| C1 | C2 | C3 | C4 | 48.8° | 53.8° |
| C1 | C2 | C3 | O3 | 71.4° | 66.0° |
| C1 | C2 | C3 | H3 | 169.6° | 173.5° |
| C2 | C1 | O5 | C5 | 58.4° | 67.6° |
| C1 | C2 | N2 | C7 | 115.6° | 85.4° |
| C1 | C2 | N2 | HN2 | 64.5° | 94.6° |
| C2 | C1 | O14 | C14 | 133.0° | 169.6° |
| O5 | C1 | O14 | H2 | 122.5° | 119.9° |
| O5 | C1 | C2 | C3 | 53.8° | 61.3° |
| O5 | C1 | C2 | N2 | 173.5° | 178.8° |
| O5 | C1 | C2 | H6 | 64.5° | 58.6° |
| C1 | O5 | C5 | C4 | 61.3° | 67.6° |
| C1 | O5 | C5 | C6 | 168.2° | 172.3° |
| C1 | O5 | C5 | H5 | 52.2° | 52.6° |
| O5 | C1 | O14 | C14 | 106.5° | 70.1° |
| O14 | C1 | C2 | C3 | 170.2° | 178.6° |
| O14 | C1 | C2 | N2 | 70.0° | 58.7° |
| O14 | C1 | C2 | H6 | 52.0° | 61.5° |
| O14 | C1 | O5 | C5 | 179.5° | 172.3° |
| C1 | O14 | C14 | C13 | 91.2° | 96.7° |
| C1 | O14 | C14 | C15 | 147.8° | 143.7° |
| C1 | O14 | C14 | H14 | 26.9° | 23.5° |
| H2 | C1 | C2 | C3 | 68.7° | 58.7° |
| H2 | C1 | C2 | N2 | 51.1° | 61.2° |
| H2 | C1 | C2 | H6 | 173.1° | 178.6° |
| H2 | C1 | O5 | C5 | 58.6° | 52.4° |
| H2 | C1 | O14 | C14 | 16.0° | 49.7° |
| C3 | C2 | N2 | H6 | 118.6° | 120.2° |
| C2 | C3 | C4 | O3 | 120.8° | 120.0° |
| C2 | C3 | C4 | H3 | 120.2° | 119.8° |
| C2 | C3 | O3 | H3 | 120.3° | 120.5° |
| C2 | C3 | C4 | C5 | 51.5° | 53.7° |
| C2 | C3 | C4 | O4 | 171.8° | 173.7° |
| C2 | C3 | C4 | H4 | 66.8° | 66.1° |
| C3 | C2 | N2 | C7 | 119.4° | 155.0° |
| C3 | C2 | N2 | HN2 | 60.5° | 25.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 179.2° |
| N2 | C2 | C3 | C4 | 170.4° | 173.7° |
| N2 | C2 | C3 | O3 | 50.3° | 53.8° |
| N2 | C2 | C3 | H3 | 68.7° | 66.6° |
| C2 | N2 | C7 | C8 | 179.9° | 179.9° |
| C2 | N2 | C7 | HN2 | 179.9° | 180.0° |
| C2 | N2 | C7 | O7 | 1.3° | 0.0° |
| H6 | C2 | C3 | C4 | 67.5° | 66.1° |
| H6 | C2 | C3 | O3 | 172.4° | 174.0° |
| H6 | C2 | C3 | H3 | 53.4° | 53.6° |
| H6 | C2 | N2 | C7 | 0.9° | 34.7° |
| H6 | C2 | N2 | HN2 | 179.1° | 145.2° |
| C4 | C3 | O3 | H3 | 120.8° | 120.3° |
| C3 | C4 | C5 | O4 | 119.9° | 119.9° |
| C3 | C4 | C5 | H4 | 118.7° | 119.8° |
| C3 | C4 | O4 | H4 | 118.8° | 120.2° |
| C3 | C4 | C5 | C6 | 179.4° | 178.6° |
| C3 | C4 | C5 | O5 | 58.5° | 61.3° |
| C3 | C4 | C5 | H5 | 65.0° | 58.9° |
| C4 | C3 | O3 | HO3 | 61.2° | 60.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 179.5° |
| O3 | C3 | C4 | C5 | 69.3° | 66.2° |
| O3 | C3 | C4 | O4 | 51.0° | 53.7° |
| O3 | C3 | C4 | H4 | 172.4° | 173.9° |
| H3 | C3 | C4 | C5 | 171.7° | 173.5° |
| H3 | C3 | C4 | O4 | 68.0° | 66.6° |
| H3 | C3 | C4 | H4 | 53.4° | 53.6° |
| H3 | C3 | O3 | HO3 | 59.7° | 60.3° |
| C5 | C4 | O4 | H4 | 118.3° | 120.2° |
| C4 | C5 | C6 | O5 | 123.8° | 120.3° |
| C4 | C5 | C6 | H5 | 112.3° | 119.8° |
| C4 | C5 | O5 | H5 | 113.5° | 120.2° |
| C4 | C5 | C6 | O6 | 179.8° | 174.7° |
| C4 | C5 | C6 | H61 | 54.6° | 54.6° |
| C4 | C5 | C6 | H62 | 54.9° | 65.4° |
| C5 | C4 | O4 | HO4 | 57.1° | 60.0° |
| O4 | C4 | C5 | C6 | 59.5° | 58.7° |
| O4 | C4 | C5 | O5 | 178.4° | 178.8° |
| O4 | C4 | C5 | H5 | 54.8° | 61.0° |
| H4 | C4 | C5 | C6 | 61.9° | 61.5° |
| H4 | C4 | C5 | O5 | 60.2° | 58.6° |
| H4 | C4 | C5 | H5 | 176.2° | 178.7° |
| H4 | C4 | O4 | HO4 | 61.2° | 60.3° |
| C6 | C5 | O5 | H5 | 116.0° | 119.8° |
| C5 | C6 | O6 | H61 | 125.2° | 120.0° |
| C5 | C6 | O6 | H62 | 125.2° | 119.9° |
| C5 | C6 | H61 | H62 | 117.3° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 56.3° | 64.9° |
| O5 | C5 | C6 | H61 | 178.4° | 175.0° |
| O5 | C5 | C6 | H62 | 68.9° | 55.0° |
| H5 | C5 | C6 | O6 | 67.6° | 54.9° |
| H5 | C5 | C6 | H61 | 57.7° | 65.2° |
| H5 | C5 | C6 | H62 | 167.2° | 174.8° |
| O6 | C6 | H61 | H62 | 117.4° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.8° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.8° | 60.1° |
| C8 | C7 | N2 | O7 | 178.6° | 180.0° |
| C7 | C8 | H81 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H83 | 125.3° | 120.1° |
| C7 | C8 | H82 | H83 | 113.8° | 119.9° |
| C8 | C7 | N2 | HN2 | 0.1° | 0.0° |
| N2 | C7 | C8 | H81 | 179.9° | 0.0° |
| N2 | C7 | C8 | H82 | 54.8° | 120.0° |
| N2 | C7 | C8 | H83 | 54.7° | 120.1° |
| O7 | C7 | C8 | H81 | 1.3° | 180.0° |
| O7 | C7 | C8 | H82 | 123.9° | 60.0° |
| O7 | C7 | C8 | H83 | 126.6° | 59.9° |
| O7 | C7 | N2 | HN2 | 178.7° | 180.0° |
| H81 | C8 | H82 | H83 | 113.8° | 120.0° |
| C12 | C11 | O15 | O24 | 117.5° | 120.1° |
| C12 | C11 | O15 | H11 | 120.8° | 120.1° |
| C12 | C11 | O24 | H11 | 120.7° | 119.8° |
| C11 | C12 | C13 | N12 | 118.4° | 119.8° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | N12 | H12 | 120.5° | 120.3° |
| C11 | C12 | C13 | C14 | 55.1° | 53.8° |
| C11 | C12 | C13 | O13 | 65.0° | 66.0° |
| C11 | C12 | C13 | H13 | 177.5° | 173.6° |
| C12 | C11 | O15 | C15 | 61.3° | 67.6° |
| C11 | C12 | N12 | C17 | 118.1° | 85.5° |
| C11 | C12 | N12 | H8 | 62.0° | 94.5° |
| C12 | C11 | O24 | C24 | 155.9° | 174.9° |
| O15 | C11 | O24 | H11 | 120.1° | 119.9° |
| O15 | C11 | C12 | C13 | 59.1° | 61.4° |
| O15 | C11 | C12 | N12 | 179.3° | 178.8° |
| O15 | C11 | C12 | H12 | 59.5° | 58.6° |
| C11 | O15 | C15 | C14 | 61.8° | 67.6° |
| C11 | O15 | C15 | C16 | 168.3° | 172.4° |
| C11 | O15 | C15 | H15 | 51.3° | 52.5° |
| O15 | C11 | O24 | C24 | 84.9° | 64.8° |
| O24 | C11 | C12 | C13 | 177.4° | 178.5° |
| O24 | C11 | C12 | N12 | 62.4° | 58.7° |
| O24 | C11 | C12 | H12 | 58.7° | 61.5° |
| O24 | C11 | O15 | C15 | 178.8° | 172.3° |
| C11 | O24 | C24 | C23 | 87.1° | 91.4° |
| C11 | O24 | C24 | C25 | 161.3° | 150.7° |
| C11 | O24 | C24 | H24 | 37.7° | 29.6° |
| H11 | C11 | C12 | C13 | 60.9° | 58.7° |
| H11 | C11 | C12 | N12 | 59.3° | 61.1° |
| H11 | C11 | C12 | H12 | 179.6° | 178.7° |
| H11 | C11 | O15 | C15 | 59.5° | 52.4° |
| H11 | C11 | O24 | C24 | 35.2° | 55.1° |
| C13 | C12 | N12 | H12 | 118.6° | 120.2° |
| C12 | C13 | C14 | O13 | 122.5° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 119.7° |
| C12 | C13 | O13 | H13 | 120.0° | 120.5° |
| C12 | C13 | C14 | C15 | 55.2° | 53.8° |
| C12 | C13 | C14 | O14 | 174.4° | 173.7° |
| C12 | C13 | C14 | H14 | 65.6° | 66.1° |
| C13 | C12 | N12 | C17 | 121.1° | 155.0° |
| C13 | C12 | N12 | H8 | 58.8° | 24.9° |
| C12 | C13 | O13 | H7 | 180.0° | 60.7° |
| N12 | C12 | C13 | C14 | 173.5° | 173.6° |
| N12 | C12 | C13 | O13 | 53.4° | 53.8° |
| N12 | C12 | C13 | H13 | 64.1° | 66.6° |
| C12 | N12 | C17 | C18 | 168.6° | 180.0° |
| C12 | N12 | C17 | H8 | 179.9° | 180.0° |
| C12 | N12 | C17 | O17 | 11.1° | 0.0° |
| H12 | C12 | C13 | C14 | 65.4° | 66.1° |
| H12 | C12 | C13 | O13 | 174.5° | 174.0° |
| H12 | C12 | C13 | H13 | 57.0° | 53.6° |
| H12 | C12 | N12 | C17 | 2.4° | 34.8° |
| H12 | C12 | N12 | H8 | 177.5° | 145.2° |
| C14 | C13 | O13 | H13 | 122.5° | 120.3° |
| C13 | C14 | C15 | O14 | 121.8° | 119.9° |
| C13 | C14 | C15 | H14 | 118.2° | 119.9° |
| C13 | C14 | O14 | H14 | 118.1° | 120.2° |
| C13 | C14 | C15 | C16 | 179.5° | 178.7° |
| C13 | C14 | C15 | O15 | 58.4° | 61.3° |
| C13 | C14 | C15 | H15 | 65.0° | 58.8° |
| C14 | C13 | O13 | H7 | 62.5° | 180.0° |
| O13 | C13 | C14 | C15 | 67.3° | 66.2° |
| O13 | C13 | C14 | O14 | 51.9° | 53.7° |
| O13 | C13 | C14 | H14 | 171.8° | 173.9° |
| H13 | C13 | C14 | C15 | 175.2° | 173.5° |
| H13 | C13 | C14 | O14 | 65.6° | 66.6° |
| H13 | C13 | C14 | H14 | 54.4° | 53.7° |
| H13 | C13 | O13 | H7 | 60.0° | 59.7° |
| C15 | C14 | O14 | H14 | 120.8° | 120.2° |
| C14 | C15 | C16 | O15 | 124.0° | 120.2° |
| C14 | C15 | C16 | H15 | 112.1° | 119.9° |
| C14 | C15 | O15 | H15 | 113.1° | 120.1° |
| C14 | C15 | C16 | O16 | 179.7° | 175.3° |
| C14 | C15 | C16 | H161 | 54.4° | 55.2° |
| C14 | C15 | C16 | H162 | 55.0° | 64.8° |
| O14 | C14 | C15 | C16 | 58.6° | 58.8° |
| O14 | C14 | C15 | O15 | 179.8° | 178.8° |
| O14 | C14 | C15 | H15 | 56.8° | 61.1° |
| H14 | C14 | C15 | C16 | 61.4° | 61.4° |
| H14 | C14 | C15 | O15 | 59.8° | 58.6° |
| H14 | C14 | C15 | H15 | 176.8° | 178.7° |
| C16 | C15 | O15 | H15 | 117.0° | 119.9° |
| C15 | C16 | O16 | H161 | 125.3° | 120.0° |
| C15 | C16 | O16 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 117.2° | 120.0° |
| C15 | C16 | O16 | H16 | 180.0° | 180.0° |
| O15 | C15 | C16 | O16 | 56.4° | 64.5° |
| O15 | C15 | C16 | H161 | 178.3° | 175.5° |
| O15 | C15 | C16 | H162 | 68.9° | 55.5° |
| H15 | C15 | C16 | O16 | 67.5° | 55.4° |
| H15 | C15 | C16 | H161 | 57.8° | 64.7° |
| H15 | C15 | C16 | H162 | 167.2° | 175.3° |
| O16 | C16 | H161 | H162 | 117.3° | 120.0° |
| H161 | C16 | O16 | H16 | 54.7° | 60.0° |
| H162 | C16 | O16 | H16 | 54.7° | 60.0° |
| C18 | C17 | N12 | O17 | 179.7° | 180.0° |
| C17 | C18 | H181 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H183 | 125.3° | 120.0° |
| C17 | C18 | H182 | H183 | 116.1° | 120.0° |
| C18 | C17 | N12 | H8 | 11.4° | 0.0° |
| N12 | C17 | C18 | H181 | 179.9° | 0.1° |
| N12 | C17 | C18 | H182 | 54.8° | 120.0° |
| N12 | C17 | C18 | H183 | 54.7° | 120.0° |
| O17 | C17 | C18 | H181 | 0.3° | 180.0° |
| O17 | C17 | C18 | H182 | 125.5° | 60.0° |
| O17 | C17 | C18 | H183 | 125.0° | 60.0° |
| O17 | C17 | N12 | H8 | 168.9° | 180.0° |
| H181 | C18 | H182 | H183 | 116.2° | 120.0° |
| C22 | C21 | C25 | O27 | 116.2° | 107.0° |
| C22 | C21 | C25 | H21 | 125.5° | 125.0° |
| C22 | C21 | O27 | H21 | 125.5° | 122.5° |
| C21 | C22 | C23 | N22 | 110.9° | 109.3° |
| C21 | C22 | C23 | H22 | 125.0° | 123.8° |
| C21 | C22 | N22 | H22 | 126.5° | 121.4° |
| C21 | C22 | C23 | C24 | 46.6° | 28.2° |
| C21 | C22 | C23 | O23 | 174.8° | 91.1° |
| C21 | C22 | C23 | H23 | 69.4° | 147.4° |
| C22 | C21 | C25 | C24 | 6.4° | 16.5° |
| C22 | C21 | C25 | C26 | 132.1° | 136.1° |
| C22 | C21 | C25 | H25 | 113.5° | 103.0° |
| C21 | C22 | N22 | C27 | 4.4° | 16.3° |
| C22 | C21 | O27 | C27 | 4.8° | 26.9° |
| C25 | C21 | O27 | H21 | 116.8° | 127.6° |
| C25 | C21 | C22 | C23 | 23.2° | 27.4° |
| C25 | C21 | C22 | N22 | 130.7° | 87.6° |
| C25 | C21 | C22 | H22 | 104.2° | 151.1° |
| C21 | C25 | C24 | C23 | 35.1° | 0.6° |
| C21 | C25 | C24 | C26 | 122.7° | 119.6° |
| C21 | C25 | C24 | H25 | 123.2° | 119.5° |
| C21 | C25 | C24 | O24 | 152.0° | 118.9° |
| C21 | C25 | C24 | H24 | 89.1° | 120.0° |
| C21 | C25 | C26 | H25 | 122.9° | 120.8° |
| C21 | C25 | C26 | O26 | 84.2° | 66.7° |
| C21 | C25 | C26 | H261 | 41.1° | 173.3° |
| C21 | C25 | C26 | H262 | 150.6° | 53.3° |
| C25 | C21 | O27 | C27 | 122.5° | 83.0° |
| O27 | C21 | C22 | C23 | 101.9° | 140.5° |
| O27 | C21 | C22 | N22 | 5.6° | 25.4° |
| O27 | C21 | C22 | H22 | 130.7° | 95.9° |
| O27 | C21 | C25 | C24 | 122.6° | 123.6° |
| O27 | C21 | C25 | C26 | 111.7° | 116.8° |
| O27 | C21 | C25 | H25 | 2.7° | 4.1° |
| C21 | O27 | C27 | N22 | 2.3° | 18.9° |
| C21 | O27 | C27 | N27 | 177.2° | 161.4° |
| H21 | C21 | C22 | C23 | 139.9° | 97.1° |
| H21 | C21 | C22 | N22 | 112.6° | 147.9° |
| H21 | C21 | C22 | H22 | 12.5° | 26.6° |
| H21 | C21 | C25 | C24 | 119.1° | 108.4° |
| H21 | C21 | C25 | C26 | 6.6° | 11.2° |
| H21 | C21 | C25 | H25 | 121.0° | 132.1° |
| H21 | C21 | O27 | C27 | 120.7° | 149.4° |
| C23 | C22 | N22 | H22 | 128.0° | 126.8° |
| C22 | C23 | C24 | O23 | 114.6° | 119.3° |
| C22 | C23 | C24 | H23 | 129.3° | 119.2° |
| C22 | C23 | O23 | H23 | 129.3° | 121.5° |
| C22 | C23 | C24 | C25 | 51.4° | 17.8° |
| C22 | C23 | C24 | O24 | 169.9° | 101.7° |
| C22 | C23 | C24 | H24 | 71.5° | 137.2° |
| C23 | C22 | N22 | C27 | 101.2° | 128.1° |
| C22 | C23 | O23 | H1 | 180.0° | 61.4° |
| N22 | C22 | C23 | C24 | 157.5° | 81.1° |
| N22 | C22 | C23 | O23 | 74.3° | 159.6° |
| N22 | C22 | C23 | H23 | 41.5° | 38.1° |
| C22 | N22 | C27 | N27 | 179.1° | 179.8° |
| C22 | N22 | C27 | O27 | 1.4° | 0.5° |
| H22 | C22 | C23 | C24 | 78.4° | 152.1° |
| H22 | C22 | C23 | O23 | 49.8° | 32.7° |
| H22 | C22 | C23 | H23 | 165.6° | 88.8° |
| H22 | C22 | N22 | C27 | 130.8° | 105.2° |
| C24 | C23 | O23 | H23 | 116.3° | 121.6° |
| C23 | C24 | C25 | O24 | 117.0° | 119.5° |
| C23 | C24 | C25 | H24 | 124.2° | 119.4° |
| C23 | C24 | O24 | H24 | 124.8° | 121.1° |
| C23 | C24 | C25 | C26 | 157.7° | 119.0° |
| C23 | C24 | C25 | H25 | 88.1° | 120.1° |
| C24 | C23 | O23 | H1 | 65.7° | 178.3° |
| O23 | C23 | C24 | C25 | 165.9° | 101.4° |
| O23 | C23 | C24 | O24 | 75.5° | 139.0° |
| O23 | C23 | C24 | H24 | 43.1° | 17.9° |
| H23 | C23 | C24 | C25 | 77.9° | 137.0° |
| H23 | C23 | C24 | O24 | 40.6° | 17.4° |
| H23 | C23 | C24 | H24 | 159.3° | 103.6° |
| H23 | C23 | O23 | H1 | 50.7° | 60.1° |
| C25 | C24 | O24 | H24 | 123.6° | 121.1° |
| C24 | C25 | C26 | H25 | 119.4° | 120.9° |
| C24 | C25 | C26 | O26 | 33.6° | 175.0° |
| C24 | C25 | C26 | H261 | 158.9° | 55.0° |
| C24 | C25 | C26 | H262 | 91.7° | 65.0° |
| O24 | C24 | C25 | C26 | 85.3° | 121.4° |
| O24 | C24 | C25 | H25 | 28.9° | 0.5° |
| H24 | C24 | C25 | C26 | 33.5° | 0.3° |
| H24 | C24 | C25 | H25 | 147.7° | 120.5° |
| C25 | C26 | O26 | H261 | 125.3° | 120.0° |
| C25 | C26 | O26 | H262 | 125.2° | 119.9° |
| C25 | C26 | H261 | H262 | 119.0° | 120.0° |
| C25 | C26 | O26 | H26 | 180.0° | 179.9° |
| H25 | C25 | C26 | O26 | 153.0° | 54.2° |
| H25 | C25 | C26 | H261 | 81.7° | 65.8° |
| H25 | C25 | C26 | H262 | 27.7° | 174.1° |
| O26 | C26 | H261 | H262 | 119.0° | 120.0° |
| H261 | C26 | O26 | H26 | 54.7° | 60.1° |
| H262 | C26 | O26 | H26 | 54.7° | 60.0° |
| N22 | C27 | N27 | O27 | 179.4° | 179.7° |
| N22 | C27 | N27 | C28 | 20.9° | 0.1° |
| N22 | C27 | N27 | C29 | 158.3° | 179.9° |
| C27 | N27 | C28 | C29 | 179.3° | 179.9° |
| C27 | N27 | C28 | H281 | 180.0° | 180.0° |
| C27 | N27 | C28 | H282 | 54.7° | 60.0° |
| C27 | N27 | C28 | H283 | 54.8° | 60.0° |
| C27 | N27 | C29 | H291 | 180.0° | 180.0° |
| C27 | N27 | C29 | H292 | 54.7° | 60.0° |
| C27 | N27 | C29 | H293 | 54.7° | 60.0° |
| O27 | C27 | N27 | C28 | 159.7° | 179.7° |
| O27 | C27 | N27 | C29 | 21.1° | 0.2° |
| N27 | C28 | H281 | H282 | 125.3° | 120.0° |
| N27 | C28 | H281 | H283 | 125.2° | 120.0° |
| N27 | C28 | H282 | H283 | 113.4° | 120.1° |
| C28 | N27 | C29 | H291 | 0.7° | 0.0° |
| C28 | N27 | C29 | H292 | 126.0° | 120.0° |
| C28 | N27 | C29 | H293 | 124.5° | 120.0° |
| H281 | C28 | H282 | H283 | 113.3° | 120.0° |
| H281 | C28 | N27 | C29 | 0.7° | 0.0° |
| H282 | C28 | N27 | C29 | 124.6° | 119.9° |
| H283 | C28 | N27 | C29 | 126.0° | 120.1° |
| N27 | C29 | H291 | H292 | 125.2° | 119.9° |
| N27 | C29 | H291 | H293 | 125.2° | 120.1° |
| N27 | C29 | H292 | H293 | 113.4° | 120.0° |
| H291 | C29 | H292 | H293 | 113.5° | 120.0° |
