KOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | O6 | sing | 1.43Å | 1.61Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| O6 | C12 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | C11 | sing | 1.53Å | 1.58Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C28 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.67Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.51Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | doub | 1.35Å | 1.41Å | |
| C16 | C21 | sing | 1.42Å | 1.51Å | |
| C17 | N29 | sing | 1.37Å | 1.45Å | |
| C17 | C18 | sing | 1.49Å | 1.51Å | |
| N29 | C30 | sing | 1.46Å | 1.46Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.53Å | 1.58Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | N32 | sing | 1.47Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| N32 | C33 | sing | 1.47Å | 1.44Å | |
| N32 | C34 | sing | 1.47Å | 1.43Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C18 | O8 | doub | 1.22Å | 1.23Å | |
| C18 | C19 | sing | 1.46Å | 1.50Å | |
| C19 | C20 | doub | 1.35Å | 1.38Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | N1 | sing | 1.38Å | 1.43Å | |
| C20 | C21 | sing | 1.49Å | 1.56Å | |
| N1 | C1 | sing | 1.34Å | 1.45Å | |
| N1 | HN1 | sing | 0.98Å | 1.02Å | |
| C1 | O1 | doub | 1.22Å | 1.14Å | |
| C1 | C2 | sing | 1.46Å | 1.54Å | |
| C2 | C22 | sing | 1.50Å | 1.51Å | |
| C2 | C3 | doub | 1.35Å | 1.38Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.45Å | 1.47Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.33Å | 1.33Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.50Å | 1.50Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | O2 | sing | 1.43Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.58Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| O2 | C23 | sing | 1.43Å | 1.38Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C7 | O3 | sing | 1.45Å | 1.40Å | |
| C7 | C8 | sing | 1.51Å | 1.64Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| O3 | C24 | sing | 1.34Å | 1.41Å | |
| C24 | N2 | sing | 1.35Å | 1.35Å | |
| C24 | O4 | doub | 1.22Å | 1.22Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C8 | C25 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | doub | 1.31Å | 1.30Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.50Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C26 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C11 | O5 | sing | 1.43Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C21 | O9 | doub | 1.22Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C27 | H271 | 115.8° | 109.5° |
| O6 | C27 | H272 | 110.0° | 109.5° |
| O6 | C27 | H273 | 109.9° | 109.5° |
| C27 | O6 | C12 | 115.8° | 106.8° |
| H271 | C27 | H272 | 109.9° | 109.5° |
| H271 | C27 | H273 | 109.9° | 109.5° |
| H272 | C27 | H273 | 100.2° | 109.4° |
| O6 | C12 | C13 | 104.7° | 109.8° |
| O6 | C12 | C11 | 110.3° | 109.3° |
| O6 | C12 | H12 | 113.6° | 109.5° |
| C13 | C12 | C11 | 113.6° | 109.3° |
| C13 | C12 | H12 | 110.3° | 109.8° |
| C12 | C13 | C14 | 123.0° | 110.8° |
| C12 | C13 | H131 | 107.4° | 109.1° |
| C12 | C13 | H132 | 107.4° | 109.3° |
| C11 | C12 | H12 | 104.6° | 109.0° |
| C12 | C11 | C10 | 116.2° | 109.9° |
| C12 | C11 | O5 | 105.5° | 109.4° |
| C12 | C11 | H11 | 106.6° | 109.3° |
| C14 | C13 | H131 | 107.4° | 109.3° |
| C14 | C13 | H132 | 107.4° | 109.4° |
| C13 | C14 | C28 | 107.2° | 109.7° |
| C13 | C14 | C15 | 114.7° | 109.5° |
| C13 | C14 | H14 | 108.7° | 110.0° |
| H131 | C13 | H132 | 102.3° | 108.9° |
| C28 | C14 | C15 | 113.0° | 109.0° |
| C28 | C14 | H14 | 110.6° | 109.3° |
| C14 | C28 | H281 | 107.2° | 109.5° |
| C14 | C28 | H282 | 113.0° | 109.5° |
| C14 | C28 | H283 | 113.0° | 109.5° |
| C15 | C14 | H14 | 102.5° | 109.3° |
| C14 | C15 | C16 | 115.0° | 109.3° |
| C14 | C15 | H151 | 110.2° | 109.1° |
| C14 | C15 | H152 | 110.2° | 108.9° |
| H281 | C28 | H282 | 113.1° | 109.4° |
| H281 | C28 | H283 | 113.1° | 109.5° |
| H282 | C28 | H283 | 97.3° | 109.4° |
| C16 | C15 | H151 | 110.2° | 109.4° |
| C16 | C15 | H152 | 110.2° | 110.9° |
| C15 | C16 | C17 | 130.0° | 121.1° |
| C15 | C16 | C21 | 113.9° | 118.6° |
| H151 | C15 | H152 | 100.1° | 109.1° |
| C17 | C16 | C21 | 116.2° | 120.3° |
| C16 | C17 | N29 | 123.0° | 121.2° |
| C16 | C17 | C18 | 123.6° | 119.7° |
| C16 | C21 | C20 | 121.1° | 120.9° |
| C16 | C21 | O9 | 119.4° | 118.9° |
| N29 | C17 | C18 | 113.4° | 119.1° |
| C17 | N29 | C30 | 124.8° | 120.1° |
| C17 | N29 | H29 | 106.8° | 120.0° |
| C17 | C18 | O8 | 118.7° | 120.1° |
| C17 | C18 | C19 | 118.9° | 119.6° |
| C30 | N29 | H29 | 106.8° | 119.9° |
| N29 | C30 | C31 | 120.4° | 109.6° |
| N29 | C30 | H301 | 108.3° | 109.5° |
| N29 | C30 | H302 | 108.3° | 109.4° |
| C31 | C30 | H301 | 108.3° | 109.5° |
| C31 | C30 | H302 | 108.3° | 109.4° |
| C30 | C31 | N32 | 128.9° | 109.5° |
| C30 | C31 | H311 | 105.4° | 109.5° |
| C30 | C31 | H312 | 105.4° | 109.4° |
| H301 | C30 | H302 | 101.7° | 109.4° |
| N32 | C31 | H311 | 105.4° | 109.4° |
| N32 | C31 | H312 | 105.4° | 109.5° |
| C31 | N32 | C33 | 110.8° | 106.7° |
| C31 | N32 | C34 | 115.7° | 106.7° |
| H311 | C31 | H312 | 103.8° | 109.5° |
| C33 | N32 | C34 | 100.6° | 106.7° |
| N32 | C33 | H331 | 110.7° | 109.5° |
| N32 | C33 | H332 | 111.7° | 109.5° |
| N32 | C33 | H333 | 111.7° | 109.4° |
| N32 | C34 | H341 | 115.7° | 109.5° |
| N32 | C34 | H342 | 109.9° | 109.5° |
| N32 | C34 | H343 | 109.9° | 109.5° |
| H331 | C33 | H332 | 111.8° | 109.5° |
| H331 | C33 | H333 | 111.7° | 109.5° |
| H332 | C33 | H333 | 98.7° | 109.5° |
| H341 | C34 | H342 | 109.9° | 109.4° |
| H341 | C34 | H343 | 110.0° | 109.6° |
| H342 | C34 | H343 | 100.3° | 109.4° |
| O8 | C18 | C19 | 122.4° | 120.3° |
| C18 | C19 | C20 | 120.5° | 119.6° |
| C18 | C19 | H19 | 123.7° | 120.5° |
| C20 | C19 | H19 | 115.7° | 119.9° |
| C19 | C20 | N1 | 127.5° | 120.8° |
| C19 | C20 | C21 | 119.6° | 119.6° |
| N1 | C20 | C21 | 112.9° | 119.5° |
| C20 | N1 | C1 | 138.9° | 119.6° |
| C20 | N1 | HN1 | 109.3° | 119.3° |
| C20 | C21 | O9 | 119.5° | 120.2° |
| C1 | N1 | HN1 | 111.8° | 121.1° |
| N1 | C1 | O1 | 115.9° | 119.0° |
| N1 | C1 | C2 | 118.9° | 124.0° |
| O1 | C1 | C2 | 125.1° | 117.0° |
| C1 | C2 | C22 | 115.6° | 121.0° |
| C1 | C2 | C3 | 118.6° | 117.5° |
| C22 | C2 | C3 | 125.8° | 121.5° |
| C2 | C22 | H221 | 115.6° | 109.5° |
| C2 | C22 | H222 | 110.0° | 109.5° |
| C2 | C22 | H223 | 110.0° | 109.5° |
| C2 | C3 | C4 | 129.3° | 122.9° |
| C2 | C3 | H3 | 111.5° | 117.3° |
| H221 | C22 | H222 | 110.0° | 109.5° |
| H221 | C22 | H223 | 110.0° | 109.4° |
| H222 | C22 | H223 | 100.3° | 109.4° |
| C4 | C3 | H3 | 119.2° | 119.9° |
| C3 | C4 | C5 | 125.6° | 121.0° |
| C3 | C4 | H4 | 122.9° | 120.9° |
| C5 | C4 | H4 | 111.5° | 118.1° |
| C4 | C5 | C6 | 126.9° | 122.0° |
| C4 | C5 | H5 | 109.5° | 118.8° |
| C6 | C5 | H5 | 123.6° | 119.2° |
| C5 | C6 | O2 | 112.8° | 108.8° |
| C5 | C6 | C7 | 113.5° | 109.8° |
| C5 | C6 | H6 | 102.9° | 110.6° |
| O2 | C6 | C7 | 104.4° | 109.1° |
| O2 | C6 | H6 | 112.2° | 109.0° |
| C6 | O2 | C23 | 120.9° | 106.8° |
| C7 | C6 | H6 | 111.4° | 109.4° |
| C6 | C7 | O3 | 109.6° | 109.5° |
| C6 | C7 | C8 | 117.0° | 109.8° |
| C6 | C7 | H7 | 103.3° | 109.4° |
| O2 | C23 | H231 | 120.9° | 109.5° |
| O2 | C23 | H232 | 108.1° | 109.4° |
| O2 | C23 | H233 | 108.1° | 109.5° |
| H231 | C23 | H232 | 108.1° | 109.4° |
| H231 | C23 | H233 | 108.1° | 109.5° |
| H232 | C23 | H233 | 101.8° | 109.5° |
| O3 | C7 | C8 | 107.1° | 109.5° |
| O3 | C7 | H7 | 113.9° | 109.4° |
| C7 | O3 | C24 | 116.4° | 120.1° |
| C8 | C7 | H7 | 106.1° | 109.3° |
| C7 | C8 | C25 | 116.4° | 119.3° |
| C7 | C8 | C9 | 118.1° | 118.9° |
| O3 | C24 | N2 | 108.3° | 120.1° |
| O3 | C24 | O4 | 126.9° | 120.0° |
| N2 | C24 | O4 | 124.9° | 120.0° |
| C24 | N2 | HN21 | 124.9° | 120.0° |
| C24 | N2 | HN22 | 108.3° | 119.9° |
| HN21 | N2 | HN22 | 126.8° | 120.1° |
| C25 | C8 | C9 | 125.4° | 121.8° |
| C8 | C25 | H251 | 116.4° | 109.5° |
| C8 | C25 | H252 | 109.7° | 109.5° |
| C8 | C25 | H253 | 109.7° | 109.5° |
| C8 | C9 | C10 | 131.3° | 123.2° |
| C8 | C9 | H9 | 104.9° | 118.2° |
| H251 | C25 | H252 | 109.6° | 109.5° |
| H251 | C25 | H253 | 109.7° | 109.4° |
| H252 | C25 | H253 | 100.5° | 109.5° |
| C10 | C9 | H9 | 123.8° | 118.7° |
| C9 | C10 | C26 | 103.4° | 109.6° |
| C9 | C10 | C11 | 113.3° | 109.0° |
| C9 | C10 | H10 | 112.2° | 111.2° |
| C26 | C10 | C11 | 112.8° | 108.5° |
| C26 | C10 | H10 | 112.8° | 109.6° |
| C10 | C26 | H261 | 103.4° | 109.5° |
| C10 | C26 | H262 | 114.5° | 109.5° |
| C10 | C26 | H263 | 114.5° | 109.4° |
| C11 | C10 | H10 | 102.7° | 108.8° |
| C10 | C11 | O5 | 105.6° | 109.3° |
| C10 | C11 | H11 | 106.4° | 109.4° |
| H261 | C26 | H262 | 114.5° | 109.5° |
| H261 | C26 | H263 | 114.5° | 109.4° |
| H262 | C26 | H263 | 95.9° | 109.4° |
| O5 | C11 | H11 | 117.0° | 109.5° |
| C11 | O5 | HO5 | 105.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C27 | H271 | H272 | 125.3° | 120.0° |
| O6 | C27 | H271 | H273 | 125.3° | 120.0° |
| O6 | C27 | H272 | H273 | 115.7° | 120.0° |
| C27 | O6 | C12 | C13 | 178.5° | 120.1° |
| C27 | O6 | C12 | C11 | 59.0° | 120.0° |
| C27 | O6 | C12 | H12 | 58.1° | 0.6° |
| H271 | C27 | H272 | H273 | 115.7° | 120.0° |
| H271 | C27 | O6 | C12 | 180.0° | 174.4° |
| H272 | C27 | O6 | C12 | 54.7° | 65.6° |
| H273 | C27 | O6 | C12 | 54.7° | 54.3° |
| O6 | C12 | C13 | C11 | 120.3° | 120.0° |
| O6 | C12 | C13 | H12 | 122.6° | 120.5° |
| O6 | C12 | C11 | H12 | 122.5° | 119.7° |
| O6 | C12 | C13 | C14 | 58.1° | 47.8° |
| O6 | C12 | C13 | H131 | 67.2° | 72.6° |
| O6 | C12 | C13 | H132 | 176.6° | 168.4° |
| O6 | C12 | C11 | C10 | 178.3° | 51.6° |
| O6 | C12 | C11 | O5 | 65.1° | 171.6° |
| O6 | C12 | C11 | H11 | 59.9° | 68.5° |
| C13 | C12 | C11 | H12 | 120.4° | 120.1° |
| C12 | C13 | C14 | H131 | 125.3° | 120.2° |
| C12 | C13 | C14 | H132 | 125.3° | 120.6° |
| C12 | C13 | H131 | H132 | 112.9° | 119.2° |
| C12 | C13 | C14 | C28 | 34.7° | 73.3° |
| C12 | C13 | C14 | C15 | 161.1° | 167.1° |
| C12 | C13 | C14 | H14 | 84.9° | 46.9° |
| C13 | C12 | C11 | C10 | 64.6° | 171.9° |
| C13 | C12 | C11 | O5 | 52.0° | 68.1° |
| C13 | C12 | C11 | H11 | 177.0° | 51.8° |
| C11 | C12 | C13 | C14 | 178.4° | 167.7° |
| C11 | C12 | C13 | H131 | 53.1° | 47.3° |
| C11 | C12 | C13 | H132 | 56.3° | 71.6° |
| C12 | C11 | C10 | C9 | 63.7° | 97.9° |
| C12 | C11 | C10 | C26 | 179.3° | 142.8° |
| C12 | C11 | C10 | O5 | 116.6° | 120.0° |
| C12 | C11 | C10 | H11 | 118.5° | 120.1° |
| C12 | C11 | C10 | H10 | 57.6° | 23.5° |
| C12 | C11 | O5 | H11 | 118.3° | 119.8° |
| C12 | C11 | O5 | HO5 | 180.0° | 179.7° |
| H12 | C12 | C13 | C14 | 64.5° | 72.7° |
| H12 | C12 | C13 | H131 | 170.2° | 166.9° |
| H12 | C12 | C13 | H132 | 60.8° | 48.0° |
| H12 | C12 | C11 | C10 | 55.8° | 68.0° |
| H12 | C12 | C11 | O5 | 172.4° | 52.0° |
| H12 | C12 | C11 | H11 | 62.6° | 171.8° |
| C14 | C13 | H131 | H132 | 113.0° | 119.5° |
| C13 | C14 | C28 | C15 | 127.3° | 119.9° |
| C13 | C14 | C28 | H14 | 118.4° | 120.7° |
| C13 | C14 | C15 | H14 | 117.7° | 120.6° |
| C13 | C14 | C28 | H281 | 180.0° | 180.0° |
| C13 | C14 | C28 | H282 | 54.7° | 60.0° |
| C13 | C14 | C28 | H283 | 54.7° | 60.0° |
| C13 | C14 | C15 | C16 | 55.5° | 125.8° |
| C13 | C14 | C15 | H151 | 179.2° | 6.2° |
| C13 | C14 | C15 | H152 | 69.7° | 112.8° |
| H131 | C13 | C14 | C28 | 160.0° | 166.4° |
| H131 | C13 | C14 | C15 | 73.7° | 46.9° |
| H131 | C13 | C14 | H14 | 40.4° | 73.3° |
| H132 | C13 | C14 | C28 | 90.6° | 47.3° |
| H132 | C13 | C14 | C15 | 35.8° | 72.3° |
| H132 | C13 | C14 | H14 | 149.8° | 167.6° |
| C28 | C14 | C15 | H14 | 119.1° | 119.4° |
| C14 | C28 | H281 | H282 | 125.3° | 120.0° |
| C14 | C28 | H281 | H283 | 125.3° | 120.1° |
| C14 | C28 | H282 | H283 | 118.9° | 120.0° |
| C28 | C14 | C15 | C16 | 67.7° | 114.2° |
| C28 | C14 | C15 | H151 | 57.5° | 126.2° |
| C28 | C14 | C15 | H152 | 167.0° | 7.1° |
| C15 | C14 | C28 | H281 | 52.7° | 60.1° |
| C15 | C14 | C28 | H282 | 72.6° | 59.8° |
| C15 | C14 | C28 | H283 | 178.0° | 179.8° |
| C14 | C15 | C16 | H151 | 125.3° | 119.4° |
| C14 | C15 | C16 | H152 | 125.2° | 120.1° |
| C14 | C15 | H151 | H152 | 116.0° | 118.9° |
| C14 | C15 | C16 | C17 | 93.0° | 130.8° |
| C14 | C15 | C16 | C21 | 87.3° | 50.0° |
| H14 | C14 | C28 | H281 | 61.6° | 59.3° |
| H14 | C14 | C28 | H282 | 173.1° | 179.3° |
| H14 | C14 | C28 | H283 | 63.8° | 60.7° |
| H14 | C14 | C15 | C16 | 173.2° | 5.2° |
| H14 | C14 | C15 | H151 | 61.5° | 114.4° |
| H14 | C14 | C15 | H152 | 48.0° | 126.6° |
| H281 | C28 | H282 | H283 | 119.0° | 119.9° |
| C16 | C15 | H151 | H152 | 116.0° | 121.6° |
| C15 | C16 | C17 | C21 | 179.7° | 179.1° |
| C15 | C16 | C17 | N29 | 1.5° | 0.1° |
| C15 | C16 | C17 | C18 | 178.5° | 179.7° |
| C15 | C16 | C21 | C20 | 179.1° | 175.6° |
| C15 | C16 | C21 | O9 | 0.8° | 6.2° |
| H151 | C15 | C16 | C17 | 141.8° | 109.8° |
| H151 | C15 | C16 | C21 | 37.9° | 69.4° |
| H152 | C15 | C16 | C17 | 32.3° | 10.7° |
| H152 | C15 | C16 | C21 | 147.4° | 170.2° |
| C16 | C17 | N29 | C18 | 180.0° | 179.8° |
| C16 | C17 | N29 | C30 | 56.9° | 180.0° |
| C16 | C17 | N29 | H29 | 177.8° | 0.0° |
| C16 | C17 | C18 | O8 | 178.9° | 177.3° |
| C16 | C17 | C18 | C19 | 1.2° | 2.8° |
| C17 | C16 | C21 | C20 | 1.2° | 5.2° |
| C17 | C16 | C21 | O9 | 179.0° | 173.0° |
| C21 | C16 | C17 | N29 | 178.2° | 179.2° |
| C21 | C16 | C17 | C18 | 1.8° | 0.5° |
| C16 | C21 | C20 | C19 | 0.1° | 6.7° |
| C16 | C21 | C20 | N1 | 179.6° | 175.2° |
| C16 | C21 | C20 | O9 | 179.9° | 178.1° |
| C17 | N29 | C30 | H29 | 125.3° | 179.9° |
| C17 | N29 | C30 | C31 | 80.2° | 180.0° |
| C17 | N29 | C30 | H301 | 45.1° | 59.9° |
| C17 | N29 | C30 | H302 | 154.5° | 60.0° |
| N29 | C17 | C18 | O8 | 1.1° | 2.4° |
| N29 | C17 | C18 | C19 | 178.8° | 177.4° |
| C18 | C17 | N29 | C30 | 123.0° | 0.2° |
| C18 | C17 | N29 | H29 | 2.3° | 179.8° |
| C17 | C18 | O8 | C19 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 1.3° |
| C17 | C18 | C19 | H19 | 179.8° | 178.9° |
| N29 | C30 | C31 | H301 | 125.3° | 120.1° |
| N29 | C30 | C31 | H302 | 125.2° | 120.0° |
| N29 | C30 | H301 | H302 | 113.9° | 119.9° |
| N29 | C30 | C31 | N32 | 39.8° | 179.9° |
| N29 | C30 | C31 | H311 | 85.4° | 59.9° |
| N29 | C30 | C31 | H312 | 165.1° | 60.0° |
| H29 | N29 | C30 | C31 | 45.1° | 0.0° |
| H29 | N29 | C30 | H301 | 170.4° | 120.0° |
| H29 | N29 | C30 | H302 | 80.2° | 120.0° |
| C31 | C30 | H301 | H302 | 113.9° | 119.9° |
| C30 | C31 | N32 | H311 | 125.3° | 120.0° |
| C30 | C31 | N32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 110.6° | 119.9° |
| C30 | C31 | N32 | C33 | 177.2° | 180.0° |
| C30 | C31 | N32 | C34 | 69.2° | 66.2° |
| H301 | C30 | C31 | N32 | 165.1° | 60.0° |
| H301 | C30 | C31 | H311 | 39.9° | 180.0° |
| H301 | C30 | C31 | H312 | 69.6° | 60.1° |
| H302 | C30 | C31 | N32 | 85.4° | 59.9° |
| H302 | C30 | C31 | H311 | 149.4° | 60.1° |
| H302 | C30 | C31 | H312 | 39.9° | 180.0° |
| N32 | C31 | H311 | H312 | 110.6° | 120.1° |
| C31 | N32 | C33 | C34 | 122.9° | 113.8° |
| C31 | N32 | C33 | H331 | 180.0° | 179.9° |
| C31 | N32 | C33 | H332 | 54.8° | 60.0° |
| C31 | N32 | C33 | H333 | 54.8° | 60.0° |
| C31 | N32 | C34 | H341 | 180.0° | 179.9° |
| C31 | N32 | C34 | H342 | 54.8° | 60.0° |
| C31 | N32 | C34 | H343 | 54.7° | 60.0° |
| H311 | C31 | N32 | C33 | 57.6° | 60.0° |
| H311 | C31 | N32 | C34 | 56.1° | 173.8° |
| H312 | C31 | N32 | C33 | 51.9° | 60.0° |
| H312 | C31 | N32 | C34 | 165.6° | 53.8° |
| N32 | C33 | H331 | H332 | 125.2° | 120.1° |
| N32 | C33 | H331 | H333 | 125.2° | 119.9° |
| N32 | C33 | H332 | H333 | 117.6° | 119.9° |
| C33 | N32 | C34 | H341 | 60.7° | 66.1° |
| C33 | N32 | C34 | H342 | 174.2° | 53.8° |
| C33 | N32 | C34 | H343 | 64.7° | 173.8° |
| C34 | N32 | C33 | H331 | 57.1° | 66.1° |
| C34 | N32 | C33 | H332 | 68.2° | 173.8° |
| C34 | N32 | C33 | H333 | 177.7° | 53.8° |
| N32 | C34 | H341 | H342 | 125.2° | 120.0° |
| N32 | C34 | H341 | H343 | 125.3° | 120.0° |
| N32 | C34 | H342 | H343 | 115.8° | 119.9° |
| H331 | C33 | H332 | H333 | 117.7° | 120.0° |
| H341 | C34 | H342 | H343 | 115.8° | 120.1° |
| O8 | C18 | C19 | C20 | 179.7° | 178.9° |
| O8 | C18 | C19 | H19 | 0.3° | 1.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | N1 | 178.8° | 178.6° |
| C18 | C19 | C20 | C21 | 0.8° | 3.3° |
| C19 | C20 | N1 | C21 | 179.6° | 178.1° |
| C19 | C20 | N1 | C1 | 127.2° | 150.9° |
| C19 | C20 | N1 | HN1 | 52.7° | 28.3° |
| C19 | C20 | C21 | O9 | 179.8° | 171.5° |
| H19 | C19 | C20 | N1 | 1.2° | 1.6° |
| H19 | C19 | C20 | C21 | 179.2° | 176.6° |
| C20 | N1 | C1 | HN1 | 179.9° | 179.2° |
| C20 | N1 | C1 | O1 | 179.1° | 21.9° |
| C20 | N1 | C1 | C2 | 0.2° | 157.7° |
| N1 | C20 | C21 | O9 | 0.6° | 6.7° |
| C21 | C20 | N1 | C1 | 53.2° | 31.0° |
| C21 | C20 | N1 | HN1 | 126.9° | 149.8° |
| N1 | C1 | O1 | C2 | 179.2° | 179.6° |
| N1 | C1 | C2 | C22 | 126.6° | 2.1° |
| N1 | C1 | C2 | C3 | 52.5° | 177.6° |
| HN1 | N1 | C1 | O1 | 1.0° | 157.4° |
| HN1 | N1 | C1 | C2 | 179.8° | 23.1° |
| O1 | C1 | C2 | C22 | 52.6° | 178.3° |
| O1 | C1 | C2 | C3 | 128.3° | 1.9° |
| C1 | C2 | C22 | C3 | 179.0° | 179.8° |
| C1 | C2 | C22 | H221 | 180.0° | 180.0° |
| C1 | C2 | C22 | H222 | 54.8° | 60.0° |
| C1 | C2 | C22 | H223 | 54.8° | 60.0° |
| C1 | C2 | C3 | C4 | 178.8° | 179.4° |
| C1 | C2 | C3 | H3 | 1.2° | 0.3° |
| C2 | C22 | H221 | H222 | 125.2° | 120.0° |
| C2 | C22 | H221 | H223 | 125.3° | 120.1° |
| C2 | C22 | H222 | H223 | 115.8° | 120.0° |
| C22 | C2 | C3 | C4 | 0.1° | 0.9° |
| C22 | C2 | C3 | H3 | 179.9° | 179.4° |
| C3 | C2 | C22 | H221 | 1.0° | 0.3° |
| C3 | C2 | C22 | H222 | 124.2° | 119.8° |
| C3 | C2 | C22 | H223 | 126.2° | 120.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 157.7° | 176.3° |
| C2 | C3 | C4 | H4 | 22.3° | 3.9° |
| H221 | C22 | H222 | H223 | 115.8° | 119.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.3° |
| C3 | C4 | C5 | H5 | 179.7° | 179.8° |
| H3 | C3 | C4 | C5 | 22.3° | 4.0° |
| H3 | C3 | C4 | H4 | 157.7° | 175.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O2 | 114.2° | 127.2° |
| C4 | C5 | C6 | C7 | 127.4° | 113.4° |
| C4 | C5 | C6 | H6 | 6.9° | 7.5° |
| H4 | C4 | C5 | C6 | 179.6° | 179.9° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| C5 | C6 | O2 | C7 | 123.6° | 119.8° |
| C5 | C6 | O2 | H6 | 115.6° | 120.8° |
| C5 | C6 | C7 | H6 | 115.6° | 121.6° |
| C5 | C6 | O2 | C23 | 34.9° | 90.0° |
| C5 | C6 | C7 | O3 | 179.3° | 85.6° |
| C5 | C6 | C7 | C8 | 57.2° | 154.2° |
| C5 | C6 | C7 | H7 | 58.9° | 34.3° |
| H5 | C5 | C6 | O2 | 65.8° | 52.9° |
| H5 | C5 | C6 | C7 | 52.6° | 66.5° |
| H5 | C5 | C6 | H6 | 173.1° | 172.6° |
| O2 | C6 | C7 | H6 | 121.3° | 119.2° |
| C6 | O2 | C23 | H231 | 180.0° | 180.0° |
| C6 | O2 | C23 | H232 | 54.8° | 60.0° |
| C6 | O2 | C23 | H233 | 54.8° | 60.0° |
| O2 | C6 | C7 | O3 | 57.6° | 33.6° |
| O2 | C6 | C7 | C8 | 179.7° | 86.6° |
| O2 | C6 | C7 | H7 | 64.2° | 153.5° |
| C7 | C6 | O2 | C23 | 158.5° | 150.1° |
| C6 | C7 | O3 | C8 | 127.9° | 120.4° |
| C6 | C7 | O3 | H7 | 115.2° | 119.9° |
| C6 | C7 | C8 | H7 | 114.6° | 119.9° |
| C6 | C7 | O3 | C24 | 141.4° | 150.0° |
| C6 | C7 | C8 | C25 | 65.5° | 71.0° |
| C6 | C7 | C8 | C9 | 115.5° | 109.3° |
| H6 | C6 | O2 | C23 | 80.7° | 30.7° |
| H6 | C6 | C7 | O3 | 63.7° | 152.8° |
| H6 | C6 | C7 | C8 | 58.4° | 32.6° |
| H6 | C6 | C7 | H7 | 174.5° | 87.3° |
| O2 | C23 | H231 | H232 | 125.2° | 119.9° |
| O2 | C23 | H231 | H233 | 125.3° | 120.1° |
| O2 | C23 | H232 | H233 | 113.8° | 120.0° |
| H231 | C23 | H232 | H233 | 113.8° | 120.0° |
| O3 | C7 | C8 | H7 | 122.0° | 119.8° |
| C7 | O3 | C24 | N2 | 164.2° | 180.0° |
| C7 | O3 | C24 | O4 | 16.1° | 0.0° |
| O3 | C7 | C8 | C25 | 58.0° | 49.2° |
| O3 | C7 | C8 | C9 | 121.1° | 130.5° |
| C8 | C7 | O3 | C24 | 90.8° | 89.6° |
| C7 | C8 | C25 | C9 | 179.0° | 179.7° |
| C7 | C8 | C25 | H251 | 179.9° | 180.0° |
| C7 | C8 | C25 | H252 | 54.8° | 60.0° |
| C7 | C8 | C25 | H253 | 54.7° | 60.0° |
| C7 | C8 | C9 | C10 | 179.0° | 179.8° |
| C7 | C8 | C9 | H9 | 1.0° | 0.0° |
| H7 | C7 | O3 | C24 | 26.2° | 30.1° |
| H7 | C7 | C8 | C25 | 180.0° | 169.1° |
| H7 | C7 | C8 | C9 | 0.9° | 10.7° |
| O3 | C24 | N2 | O4 | 179.7° | 180.0° |
| O3 | C24 | N2 | HN21 | 0.3° | 180.0° |
| O3 | C24 | N2 | HN22 | 180.0° | 0.0° |
| C24 | N2 | HN21 | HN22 | 179.6° | 180.0° |
| O4 | C24 | N2 | HN21 | 180.0° | 0.0° |
| O4 | C24 | N2 | HN22 | 0.3° | 180.0° |
| C8 | C25 | H251 | H252 | 125.2° | 120.1° |
| C8 | C25 | H251 | H253 | 125.3° | 120.0° |
| C8 | C25 | H252 | H253 | 115.5° | 120.0° |
| C25 | C8 | C9 | C10 | 0.1° | 0.1° |
| C25 | C8 | C9 | H9 | 179.9° | 179.8° |
| C9 | C8 | C25 | H251 | 1.0° | 0.3° |
| C9 | C8 | C25 | H252 | 124.2° | 119.7° |
| C9 | C8 | C25 | H253 | 126.3° | 120.3° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C26 | 107.6° | 87.1° |
| C8 | C9 | C10 | C11 | 130.0° | 154.2° |
| C8 | C9 | C10 | H10 | 14.2° | 34.2° |
| H251 | C25 | H252 | H253 | 115.5° | 119.9° |
| C9 | C10 | C26 | C11 | 122.8° | 118.9° |
| C9 | C10 | C26 | H10 | 121.4° | 122.3° |
| C9 | C10 | C11 | H10 | 121.3° | 121.4° |
| C9 | C10 | C26 | H261 | 180.0° | 60.0° |
| C9 | C10 | C26 | H262 | 54.8° | 179.9° |
| C9 | C10 | C26 | H263 | 54.7° | 60.0° |
| C9 | C10 | C11 | O5 | 179.7° | 142.1° |
| C9 | C10 | C11 | H11 | 54.8° | 22.2° |
| H9 | C9 | C10 | C26 | 72.3° | 92.8° |
| H9 | C9 | C10 | C11 | 50.1° | 25.9° |
| H9 | C9 | C10 | H10 | 165.9° | 145.9° |
| C26 | C10 | C11 | H10 | 121.7° | 119.3° |
| C10 | C26 | H261 | H262 | 125.3° | 120.1° |
| C10 | C26 | H261 | H263 | 125.3° | 119.9° |
| C10 | C26 | H262 | H263 | 120.4° | 120.0° |
| C26 | C10 | C11 | O5 | 62.7° | 22.8° |
| C26 | C10 | C11 | H11 | 62.3° | 97.1° |
| C11 | C10 | C26 | H261 | 57.2° | 178.9° |
| C11 | C10 | C26 | H262 | 68.0° | 61.0° |
| C11 | C10 | C26 | H263 | 177.5° | 59.0° |
| C10 | C11 | O5 | H11 | 118.1° | 119.9° |
| C10 | C11 | O5 | HO5 | 56.4° | 60.0° |
| H10 | C10 | C26 | H261 | 58.6° | 62.3° |
| H10 | C10 | C26 | H262 | 176.2° | 57.8° |
| H10 | C10 | C26 | H263 | 66.7° | 177.8° |
| H10 | C10 | C11 | O5 | 59.0° | 96.5° |
| H10 | C10 | C11 | H11 | 176.1° | 143.6° |
| H261 | C26 | H262 | H263 | 120.3° | 119.9° |
| H11 | C11 | O5 | HO5 | 61.7° | 59.9° |
