MUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.20Å | |
| O2 | C11 | sing | 1.44Å | 1.44Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.55Å | 1.52Å | |
| C1 | C9 | sing | 1.51Å | 1.56Å | |
| C1 | H11A | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.49Å | 1.55Å | |
| C4 | C5 | sing | 1.47Å | 1.57Å | |
| C4 | C9 | sing | 1.59Å | 1.59Å | |
| C4 | H4 | sing | 1.08Å | 1.12Å | |
| C5 | C6 | sing | 1.52Å | 1.59Å | |
| C5 | C14 | sing | 1.53Å | 1.59Å | |
| C5 | C15 | sing | 1.54Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C16 | sing | 1.52Å | 1.54Å | |
| C6 | H6 | sing | 1.10Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.52Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | C11 | sing | 1.51Å | 1.58Å | |
| C10 | C17 | sing | 1.54Å | 1.57Å | |
| C10 | H10 | sing | 1.08Å | 1.12Å | |
| C11 | C12 | sing | 1.47Å | 1.58Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.54Å | 1.57Å | |
| C12 | C18 | sing | 1.54Å | 1.53Å | |
| C12 | C19 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.10Å | 1.12Å | |
| C14 | O3 | sing | 1.47Å | 1.50Å | |
| C14 | H14 | sing | 1.08Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | doub | 1.31Å | 1.30Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.10Å | |
| C20 | H202 | sing | 1.08Å | 1.10Å | |
| O3 | C21 | sing | 1.34Å | 1.35Å | |
| C21 | O4 | doub | 1.21Å | 1.21Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | S1 | sing | 1.81Å | 1.82Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| S1 | C23 | sing | 1.81Å | 1.81Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | N1 | sing | 1.47Å | 1.47Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| N1 | C25 | sing | 1.47Å | 1.48Å | |
| N1 | C27 | sing | 1.47Å | 1.47Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 124.3° | 124.9° |
| O1 | C3 | C4 | 128.3° | 129.2° |
| C11 | O2 | HO2 | 114.3° | 106.8° |
| O2 | C11 | C10 | 114.3° | 107.8° |
| O2 | C11 | C12 | 108.6° | 107.6° |
| O2 | C11 | H11 | 108.1° | 106.8° |
| C2 | C1 | C9 | 107.7° | 103.4° |
| C2 | C1 | H11A | 112.9° | 111.0° |
| C2 | C1 | H12 | 112.9° | 110.7° |
| C1 | C2 | C3 | 106.0° | 106.6° |
| C1 | C2 | H21 | 113.5° | 110.2° |
| C1 | C2 | H22 | 113.5° | 110.4° |
| C9 | C1 | H11A | 112.8° | 111.0° |
| C9 | C1 | H12 | 112.8° | 110.3° |
| C1 | C9 | C4 | 102.5° | 101.2° |
| C1 | C9 | C8 | 111.2° | 112.9° |
| C1 | C9 | C10 | 110.5° | 120.2° |
| H11A | C1 | H12 | 97.6° | 110.4° |
| C3 | C2 | H21 | 113.5° | 109.7° |
| C3 | C2 | H22 | 113.5° | 109.9° |
| C2 | C3 | C4 | 107.3° | 105.9° |
| H21 | C2 | H22 | 97.0° | 110.0° |
| C3 | C4 | C5 | 119.3° | 123.5° |
| C3 | C4 | C9 | 100.0° | 101.7° |
| C3 | C4 | H4 | 112.6° | 105.7° |
| C5 | C4 | C9 | 117.0° | 110.4° |
| C5 | C4 | H4 | 93.7° | 107.0° |
| C4 | C5 | C6 | 104.8° | 113.1° |
| C4 | C5 | C14 | 108.7° | 119.6° |
| C4 | C5 | C15 | 110.8° | 103.3° |
| C9 | C4 | H4 | 115.2° | 107.4° |
| C4 | C9 | C8 | 108.7° | 106.8° |
| C4 | C9 | C10 | 114.5° | 101.9° |
| C6 | C5 | C14 | 111.9° | 114.7° |
| C6 | C5 | C15 | 111.2° | 101.7° |
| C5 | C6 | C7 | 111.1° | 111.9° |
| C5 | C6 | C16 | 114.1° | 112.3° |
| C5 | C6 | H6 | 104.0° | 107.7° |
| C14 | C5 | C15 | 109.4° | 100.9° |
| C5 | C14 | C13 | 116.7° | 113.6° |
| C5 | C14 | O3 | 109.4° | 108.0° |
| C5 | C14 | H14 | 104.1° | 110.5° |
| C5 | C15 | H151 | 111.7° | 109.5° |
| C5 | C15 | H152 | 110.8° | 109.5° |
| C5 | C15 | H153 | 111.7° | 109.4° |
| C7 | C6 | C16 | 106.0° | 109.5° |
| C7 | C6 | H6 | 112.5° | 107.5° |
| C6 | C7 | C8 | 114.3° | 109.9° |
| C6 | C7 | H71 | 110.5° | 108.8° |
| C6 | C7 | H72 | 110.4° | 109.9° |
| C16 | C6 | H6 | 109.3° | 107.9° |
| C6 | C16 | H161 | 110.5° | 109.5° |
| C6 | C16 | H162 | 114.1° | 109.5° |
| C6 | C16 | H163 | 110.5° | 109.5° |
| C8 | C7 | H71 | 110.4° | 109.0° |
| C8 | C7 | H72 | 110.5° | 110.6° |
| C7 | C8 | C9 | 117.0° | 109.4° |
| C7 | C8 | H81 | 109.5° | 109.4° |
| C7 | C8 | H82 | 109.5° | 110.0° |
| H71 | C7 | H72 | 99.9° | 108.6° |
| C9 | C8 | H81 | 109.5° | 109.2° |
| C9 | C8 | H82 | 109.5° | 109.9° |
| C8 | C9 | C10 | 109.3° | 111.7° |
| H81 | C8 | H82 | 100.7° | 109.0° |
| C9 | C10 | C11 | 115.2° | 108.8° |
| C9 | C10 | C17 | 110.6° | 108.7° |
| C9 | C10 | H10 | 104.7° | 110.8° |
| C11 | C10 | C17 | 110.0° | 108.3° |
| C11 | C10 | H10 | 105.4° | 111.8° |
| C10 | C11 | C12 | 113.0° | 116.0° |
| C10 | C11 | H11 | 103.1° | 109.7° |
| C17 | C10 | H10 | 110.5° | 108.3° |
| C10 | C17 | H171 | 111.8° | 109.5° |
| C10 | C17 | H172 | 110.6° | 109.5° |
| C10 | C17 | H173 | 111.8° | 109.5° |
| C12 | C11 | H11 | 109.5° | 108.5° |
| C11 | C12 | C13 | 112.0° | 110.3° |
| C11 | C12 | C18 | 111.8° | 108.0° |
| C11 | C12 | C19 | 109.3° | 111.1° |
| C13 | C12 | C18 | 105.1° | 108.4° |
| C13 | C12 | C19 | 107.6° | 111.1° |
| C12 | C13 | C14 | 122.3° | 114.3° |
| C12 | C13 | H131 | 107.6° | 109.5° |
| C12 | C13 | H132 | 107.7° | 108.5° |
| C18 | C12 | C19 | 110.9° | 107.9° |
| C12 | C18 | H181 | 111.4° | 109.5° |
| C12 | C18 | H182 | 111.8° | 109.5° |
| C12 | C18 | H183 | 111.4° | 109.4° |
| C12 | C19 | C20 | 129.7° | 120.0° |
| C12 | C19 | H19 | 125.0° | 120.0° |
| C14 | C13 | H131 | 107.7° | 109.6° |
| C14 | C13 | H132 | 107.6° | 107.9° |
| C13 | C14 | O3 | 108.6° | 105.8° |
| C13 | C14 | H14 | 105.0° | 111.1° |
| H131 | C13 | H132 | 102.2° | 106.8° |
| O3 | C14 | H14 | 113.0° | 107.5° |
| C14 | O3 | C21 | 120.1° | 120.0° |
| H151 | C15 | H152 | 111.7° | 109.5° |
| H151 | C15 | H153 | 98.7° | 109.5° |
| H152 | C15 | H153 | 111.7° | 109.4° |
| H161 | C16 | H162 | 110.5° | 109.4° |
| H161 | C16 | H163 | 99.8° | 109.5° |
| H162 | C16 | H163 | 110.5° | 109.5° |
| H171 | C17 | H172 | 111.8° | 109.4° |
| H171 | C17 | H173 | 98.6° | 109.5° |
| H172 | C17 | H173 | 111.8° | 109.5° |
| H181 | C18 | H182 | 111.4° | 109.5° |
| H181 | C18 | H183 | 99.0° | 109.5° |
| H182 | C18 | H183 | 111.3° | 109.5° |
| C20 | C19 | H19 | 105.3° | 120.0° |
| C19 | C20 | H201 | 129.7° | 120.0° |
| C19 | C20 | H202 | 105.3° | 120.0° |
| H201 | C20 | H202 | 125.0° | 120.0° |
| O3 | C21 | O4 | 120.5° | 120.0° |
| O3 | C21 | C22 | 119.6° | 120.0° |
| O4 | C21 | C22 | 119.9° | 120.0° |
| C21 | C22 | S1 | 110.3° | 109.5° |
| C21 | C22 | H221 | 111.9° | 109.5° |
| C21 | C22 | H222 | 111.9° | 109.4° |
| S1 | C22 | H221 | 111.9° | 109.5° |
| S1 | C22 | H222 | 111.9° | 109.5° |
| C22 | S1 | C23 | 100.0° | 100.0° |
| H221 | C22 | H222 | 98.5° | 109.4° |
| S1 | C23 | C24 | 109.5° | 109.5° |
| S1 | C23 | H231 | 112.2° | 109.4° |
| S1 | C23 | H232 | 112.2° | 109.5° |
| C24 | C23 | H231 | 112.2° | 109.5° |
| C24 | C23 | H232 | 112.2° | 109.5° |
| C23 | C24 | N1 | 110.4° | 109.5° |
| C23 | C24 | H241 | 111.8° | 109.5° |
| C23 | C24 | H242 | 111.9° | 109.5° |
| H231 | C23 | H232 | 98.2° | 109.4° |
| N1 | C24 | H241 | 111.9° | 109.5° |
| N1 | C24 | H242 | 111.8° | 109.5° |
| C24 | N1 | C25 | 107.2° | 106.7° |
| C24 | N1 | C27 | 108.8° | 106.7° |
| H241 | C24 | H242 | 98.6° | 109.5° |
| C25 | N1 | C27 | 109.3° | 106.7° |
| N1 | C25 | C26 | 109.7° | 109.4° |
| N1 | C25 | H251 | 112.1° | 109.4° |
| N1 | C25 | H252 | 112.1° | 109.5° |
| N1 | C27 | C28 | 110.1° | 109.5° |
| N1 | C27 | H271 | 112.0° | 109.5° |
| N1 | C27 | H272 | 112.0° | 109.5° |
| C26 | C25 | H251 | 112.1° | 109.5° |
| C26 | C25 | H252 | 112.1° | 109.5° |
| C25 | C26 | H261 | 112.1° | 109.4° |
| C25 | C26 | H262 | 109.7° | 109.4° |
| C25 | C26 | H263 | 112.1° | 109.4° |
| H251 | C25 | H252 | 98.3° | 109.5° |
| H261 | C26 | H262 | 112.1° | 109.5° |
| H261 | C26 | H263 | 98.3° | 109.5° |
| H262 | C26 | H263 | 112.1° | 109.5° |
| C28 | C27 | H271 | 112.0° | 109.5° |
| C28 | C27 | H272 | 112.0° | 109.5° |
| C27 | C28 | H281 | 112.0° | 109.5° |
| C27 | C28 | H282 | 110.1° | 109.5° |
| C27 | C28 | H283 | 112.0° | 109.5° |
| H271 | C27 | H272 | 98.4° | 109.5° |
| H281 | C28 | H282 | 112.0° | 109.5° |
| H281 | C28 | H283 | 98.4° | 109.4° |
| H282 | C28 | H283 | 111.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | C1 | 154.7° | 169.5° |
| O1 | C3 | C2 | C4 | 180.0° | 179.7° |
| O1 | C3 | C2 | H21 | 29.5° | 50.2° |
| O1 | C3 | C2 | H22 | 80.0° | 70.9° |
| O1 | C3 | C4 | C5 | 11.7° | 21.2° |
| O1 | C3 | C4 | C9 | 140.6° | 145.7° |
| O1 | C3 | C4 | H4 | 96.6° | 102.3° |
| O2 | C11 | C10 | C9 | 126.7° | 113.9° |
| O2 | C11 | C10 | C12 | 124.8° | 120.7° |
| O2 | C11 | C10 | H11 | 117.0° | 115.9° |
| O2 | C11 | C10 | C17 | 0.8° | 4.1° |
| O2 | C11 | C10 | H10 | 118.4° | 123.4° |
| O2 | C11 | C12 | H11 | 117.8° | 115.2° |
| O2 | C11 | C12 | C13 | 169.0° | 173.4° |
| O2 | C11 | C12 | C18 | 51.4° | 55.2° |
| O2 | C11 | C12 | C19 | 71.8° | 63.0° |
| HO2 | O2 | C11 | C10 | 180.0° | 174.1° |
| HO2 | O2 | C11 | C12 | 52.9° | 60.0° |
| HO2 | O2 | C11 | H11 | 65.8° | 56.4° |
| C2 | C1 | C9 | H11A | 125.3° | 119.0° |
| C2 | C1 | C9 | H12 | 125.2° | 118.3° |
| C2 | C1 | H11A | H12 | 118.8° | 123.1° |
| C1 | C2 | C3 | H21 | 125.3° | 119.3° |
| C1 | C2 | C3 | H22 | 125.3° | 119.6° |
| C1 | C2 | H21 | H22 | 119.4° | 121.9° |
| C1 | C2 | C3 | C4 | 25.3° | 10.3° |
| C2 | C1 | C9 | C4 | 24.0° | 39.2° |
| C2 | C1 | C9 | C8 | 91.9° | 74.6° |
| C2 | C1 | C9 | C10 | 146.5° | 150.1° |
| C9 | C1 | H11A | H12 | 118.8° | 122.6° |
| C9 | C1 | C2 | C3 | 0.0° | 19.2° |
| C9 | C1 | C2 | H21 | 125.3° | 99.8° |
| C9 | C1 | C2 | H22 | 125.3° | 138.5° |
| C1 | C9 | C4 | C3 | 37.3° | 46.0° |
| C1 | C9 | C4 | C5 | 167.7° | 178.9° |
| C1 | C9 | C4 | C8 | 117.8° | 118.3° |
| C1 | C9 | C4 | C10 | 119.7° | 124.5° |
| C1 | C9 | C4 | H4 | 83.7° | 64.8° |
| C1 | C9 | C8 | C7 | 151.4° | 173.4° |
| C1 | C9 | C8 | C10 | 122.3° | 139.1° |
| C1 | C9 | C8 | H81 | 26.1° | 53.8° |
| C1 | C9 | C8 | H82 | 83.4° | 65.7° |
| C1 | C9 | C10 | C11 | 72.9° | 48.3° |
| C1 | C9 | C10 | C17 | 52.6° | 69.5° |
| C1 | C9 | C10 | H10 | 171.8° | 171.6° |
| H11A | C1 | C2 | C3 | 125.2° | 99.9° |
| H11A | C1 | C2 | H21 | 109.5° | 141.1° |
| H11A | C1 | C2 | H22 | 0.0° | 19.5° |
| H11A | C1 | C9 | C4 | 101.2° | 79.9° |
| H11A | C1 | C9 | C8 | 142.8° | 166.3° |
| H11A | C1 | C9 | C10 | 21.3° | 31.1° |
| H12 | C1 | C2 | C3 | 125.2° | 137.2° |
| H12 | C1 | C2 | H21 | 0.0° | 18.2° |
| H12 | C1 | C2 | H22 | 109.5° | 103.4° |
| H12 | C1 | C9 | C4 | 149.3° | 157.5° |
| H12 | C1 | C9 | C8 | 33.3° | 43.7° |
| H12 | C1 | C9 | C10 | 88.2° | 91.5° |
| C3 | C2 | H21 | H22 | 119.4° | 121.1° |
| C2 | C3 | C4 | C5 | 168.2° | 158.5° |
| C2 | C3 | C4 | C9 | 39.4° | 34.0° |
| C2 | C3 | C4 | H4 | 83.5° | 78.0° |
| H21 | C2 | C3 | C4 | 150.5° | 129.5° |
| H22 | C2 | C3 | C4 | 100.0° | 109.4° |
| C3 | C4 | C5 | C9 | 120.6° | 120.5° |
| C3 | C4 | C5 | H4 | 118.6° | 122.9° |
| C3 | C4 | C9 | H4 | 121.0° | 110.8° |
| C3 | C4 | C5 | C6 | 60.1° | 65.1° |
| C3 | C4 | C5 | C14 | 179.9° | 155.1° |
| C3 | C4 | C5 | C15 | 59.9° | 44.1° |
| C3 | C4 | C9 | C8 | 80.4° | 72.3° |
| C3 | C4 | C9 | C10 | 157.1° | 170.5° |
| C5 | C4 | C9 | H4 | 108.7° | 116.4° |
| C4 | C5 | C6 | C14 | 117.6° | 141.9° |
| C4 | C5 | C6 | C15 | 119.8° | 110.2° |
| C4 | C5 | C14 | C15 | 121.1° | 112.3° |
| C4 | C5 | C6 | C7 | 60.4° | 52.4° |
| C4 | C5 | C6 | C16 | 179.9° | 175.9° |
| C4 | C5 | C6 | H6 | 60.8° | 65.5° |
| C5 | C4 | C9 | C8 | 49.9° | 60.5° |
| C5 | C4 | C9 | C10 | 72.6° | 56.7° |
| C4 | C5 | C14 | C13 | 54.3° | 26.4° |
| C4 | C5 | C14 | O3 | 178.2° | 143.4° |
| C4 | C5 | C14 | H14 | 60.8° | 99.2° |
| C4 | C5 | C15 | H151 | 54.7° | 177.5° |
| C4 | C5 | C15 | H152 | 180.0° | 62.5° |
| C4 | C5 | C15 | H153 | 54.7° | 57.4° |
| C9 | C4 | C5 | C6 | 60.5° | 55.4° |
| C9 | C4 | C5 | C14 | 59.3° | 84.4° |
| C9 | C4 | C5 | C15 | 179.5° | 164.6° |
| C4 | C9 | C8 | C7 | 39.2° | 63.1° |
| C4 | C9 | C8 | C10 | 125.6° | 110.5° |
| C4 | C9 | C8 | H81 | 86.0° | 56.6° |
| C4 | C9 | C8 | H82 | 164.5° | 176.1° |
| C4 | C9 | C10 | C11 | 42.3° | 62.4° |
| C4 | C9 | C10 | C17 | 167.8° | 179.9° |
| C4 | C9 | C10 | H10 | 73.0° | 61.0° |
| H4 | C4 | C5 | C6 | 178.7° | 172.0° |
| H4 | C4 | C5 | C14 | 61.5° | 32.1° |
| H4 | C4 | C5 | C15 | 58.7° | 78.8° |
| H4 | C4 | C9 | C8 | 158.6° | 176.9° |
| H4 | C4 | C9 | C10 | 36.1° | 59.7° |
| C6 | C5 | C14 | C15 | 123.7° | 108.4° |
| C5 | C6 | C7 | C16 | 124.5° | 125.1° |
| C5 | C6 | C7 | H6 | 116.1° | 118.0° |
| C5 | C6 | C16 | H6 | 116.0° | 118.5° |
| C5 | C6 | C7 | C8 | 55.4° | 53.7° |
| C5 | C6 | C7 | H71 | 179.3° | 173.0° |
| C5 | C6 | C7 | H72 | 69.8° | 68.3° |
| C6 | C5 | C14 | C13 | 169.6° | 165.7° |
| C6 | C5 | C14 | O3 | 66.6° | 77.3° |
| C6 | C5 | C14 | H14 | 54.5° | 40.1° |
| C6 | C5 | C15 | H151 | 61.4° | 60.0° |
| C6 | C5 | C15 | H152 | 63.9° | 180.0° |
| C6 | C5 | C15 | H153 | 170.9° | 60.1° |
| C5 | C6 | C16 | H161 | 54.7° | 64.8° |
| C5 | C6 | C16 | H162 | 180.0° | 55.1° |
| C5 | C6 | C16 | H163 | 54.8° | 175.1° |
| C14 | C5 | C6 | C7 | 57.2° | 89.5° |
| C14 | C5 | C6 | C16 | 62.5° | 34.0° |
| C14 | C5 | C6 | H6 | 178.4° | 152.6° |
| C5 | C14 | C13 | C12 | 106.1° | 95.2° |
| C5 | C14 | C13 | O3 | 124.2° | 118.3° |
| C5 | C14 | C13 | H14 | 114.7° | 125.3° |
| C5 | C14 | C13 | H131 | 19.2° | 28.1° |
| C5 | C14 | C13 | H132 | 128.6° | 144.1° |
| C5 | C14 | O3 | H14 | 115.5° | 119.3° |
| C14 | C5 | C15 | H151 | 174.5° | 58.3° |
| C14 | C5 | C15 | H152 | 60.2° | 61.7° |
| C14 | C5 | C15 | H153 | 65.1° | 178.4° |
| C5 | C14 | O3 | C21 | 141.6° | 125.0° |
| C15 | C5 | C6 | C7 | 179.8° | 162.6° |
| C15 | C5 | C6 | C16 | 60.1° | 73.9° |
| C15 | C5 | C6 | H6 | 59.0° | 44.7° |
| C15 | C5 | C14 | C13 | 66.7° | 85.9° |
| C15 | C5 | C14 | O3 | 57.1° | 31.1° |
| C15 | C5 | C14 | H14 | 178.1° | 148.5° |
| C5 | C15 | H151 | H152 | 124.8° | 120.0° |
| C5 | C15 | H151 | H153 | 117.6° | 120.0° |
| C5 | C15 | H152 | H153 | 125.3° | 119.9° |
| C7 | C6 | C16 | H6 | 121.4° | 116.7° |
| C6 | C7 | C8 | H71 | 125.3° | 119.1° |
| C6 | C7 | C8 | H72 | 125.2° | 121.6° |
| C6 | C7 | H71 | H72 | 116.3° | 119.6° |
| C6 | C7 | C8 | C9 | 44.9° | 61.1° |
| C6 | C7 | C8 | H81 | 80.4° | 58.4° |
| C6 | C7 | C8 | H82 | 170.1° | 178.1° |
| C7 | C6 | C16 | H161 | 177.3° | 60.0° |
| C7 | C6 | C16 | H162 | 57.4° | 180.0° |
| C7 | C6 | C16 | H163 | 67.8° | 60.0° |
| C16 | C6 | C7 | C8 | 179.9° | 178.8° |
| C16 | C6 | C7 | H71 | 54.9° | 62.0° |
| C16 | C6 | C7 | H72 | 54.6° | 56.8° |
| C6 | C16 | H161 | H162 | 127.3° | 119.9° |
| C6 | C16 | H161 | H163 | 116.4° | 120.0° |
| C6 | C16 | H162 | H163 | 125.3° | 120.0° |
| H6 | C6 | C7 | C8 | 60.7° | 64.3° |
| H6 | C6 | C7 | H71 | 64.6° | 54.9° |
| H6 | C6 | C7 | H72 | 174.0° | 173.7° |
| H6 | C6 | C16 | H161 | 61.3° | 176.7° |
| H6 | C6 | C16 | H162 | 64.0° | 63.4° |
| H6 | C6 | C16 | H163 | 170.8° | 56.7° |
| C8 | C7 | H71 | H72 | 116.3° | 120.6° |
| C7 | C8 | C9 | H81 | 125.3° | 119.7° |
| C7 | C8 | C9 | H82 | 125.2° | 120.8° |
| C7 | C8 | H81 | H82 | 115.2° | 120.3° |
| C7 | C8 | C9 | C10 | 86.4° | 47.5° |
| H71 | C7 | C8 | C9 | 170.1° | 179.7° |
| H71 | C7 | C8 | H81 | 44.8° | 60.7° |
| H71 | C7 | C8 | H82 | 64.6° | 59.0° |
| H72 | C7 | C8 | C9 | 80.4° | 60.5° |
| H72 | C7 | C8 | H81 | 154.3° | 180.0° |
| H72 | C7 | C8 | H82 | 44.9° | 60.3° |
| C9 | C8 | H81 | H82 | 115.3° | 120.1° |
| C8 | C9 | C10 | C11 | 164.4° | 176.0° |
| C8 | C9 | C10 | C17 | 70.0° | 66.3° |
| C8 | C9 | C10 | H10 | 49.1° | 52.7° |
| H81 | C8 | C9 | C10 | 148.4° | 167.1° |
| H82 | C8 | C9 | C10 | 38.9° | 73.4° |
| C9 | C10 | C11 | C17 | 125.9° | 118.0° |
| C9 | C10 | C11 | H10 | 114.9° | 122.7° |
| C9 | C10 | C17 | H10 | 115.6° | 120.5° |
| C9 | C10 | C11 | C12 | 108.5° | 125.4° |
| C9 | C10 | C11 | H11 | 9.6° | 2.0° |
| C9 | C10 | C17 | H171 | 54.7° | 178.0° |
| C9 | C10 | C17 | H172 | 180.0° | 62.0° |
| C9 | C10 | C17 | H173 | 54.7° | 58.0° |
| C11 | C10 | C17 | H10 | 116.0° | 121.5° |
| C10 | C11 | C12 | H11 | 114.4° | 124.0° |
| C10 | C11 | C12 | C13 | 63.1° | 65.7° |
| C10 | C11 | C12 | C18 | 179.3° | 176.0° |
| C10 | C11 | C12 | C19 | 56.1° | 57.9° |
| C11 | C10 | C17 | H171 | 73.6° | 60.0° |
| C11 | C10 | C17 | H172 | 51.6° | 180.0° |
| C11 | C10 | C17 | H173 | 176.9° | 60.0° |
| C17 | C10 | C11 | C12 | 125.6° | 116.6° |
| C17 | C10 | C11 | H11 | 116.2° | 120.0° |
| C10 | C17 | H171 | H172 | 124.6° | 120.0° |
| C10 | C17 | H171 | H173 | 117.7° | 120.0° |
| C10 | C17 | H172 | H173 | 125.2° | 120.1° |
| H10 | C10 | C11 | C12 | 6.4° | 2.7° |
| H10 | C10 | C11 | H11 | 124.6° | 120.7° |
| H10 | C10 | C17 | H171 | 170.3° | 61.5° |
| H10 | C10 | C17 | H172 | 64.4° | 58.5° |
| H10 | C10 | C17 | H173 | 60.9° | 178.5° |
| C11 | C12 | C13 | C18 | 121.5° | 118.1° |
| C11 | C12 | C13 | C19 | 120.2° | 123.6° |
| C11 | C12 | C18 | C19 | 122.3° | 120.1° |
| C11 | C12 | C13 | C14 | 57.8° | 64.4° |
| C11 | C12 | C13 | H131 | 67.5° | 58.9° |
| C11 | C12 | C13 | H132 | 177.0° | 175.1° |
| C11 | C12 | C18 | H181 | 54.8° | 179.5° |
| C11 | C12 | C18 | H182 | 180.0° | 60.5° |
| C11 | C12 | C18 | H183 | 54.7° | 59.5° |
| C11 | C12 | C19 | C20 | 123.7° | 131.8° |
| C11 | C12 | C19 | H19 | 56.3° | 48.1° |
| H11 | C11 | C12 | C13 | 51.2° | 58.2° |
| H11 | C11 | C12 | C18 | 66.4° | 60.0° |
| H11 | C11 | C12 | C19 | 170.4° | 178.2° |
| C13 | C12 | C18 | C19 | 116.0° | 120.3° |
| C12 | C13 | C14 | H131 | 125.3° | 123.3° |
| C12 | C13 | C14 | H132 | 125.3° | 120.7° |
| C12 | C13 | H131 | H132 | 113.2° | 117.3° |
| C12 | C13 | C14 | O3 | 129.7° | 146.5° |
| C12 | C13 | C14 | H14 | 8.6° | 30.2° |
| C13 | C12 | C18 | H181 | 66.9° | 60.0° |
| C13 | C12 | C18 | H182 | 58.3° | 180.0° |
| C13 | C12 | C18 | H183 | 176.4° | 60.0° |
| C13 | C12 | C19 | C20 | 114.4° | 8.7° |
| C13 | C12 | C19 | H19 | 65.6° | 171.3° |
| C18 | C12 | C13 | C14 | 179.3° | 177.5° |
| C18 | C12 | C13 | H131 | 54.0° | 59.2° |
| C18 | C12 | C13 | H132 | 55.5° | 57.1° |
| C12 | C18 | H181 | H182 | 125.5° | 120.0° |
| C12 | C18 | H181 | H183 | 117.3° | 120.0° |
| C12 | C18 | H182 | H183 | 125.3° | 120.0° |
| C18 | C12 | C19 | C20 | 0.0° | 110.0° |
| C18 | C12 | C19 | H19 | 180.0° | 70.1° |
| C19 | C12 | C13 | C14 | 62.4° | 59.2° |
| C19 | C12 | C13 | H131 | 172.3° | 177.5° |
| C19 | C12 | C13 | H132 | 62.8° | 61.3° |
| C19 | C12 | C18 | H181 | 177.0° | 60.4° |
| C19 | C12 | C18 | H182 | 57.7° | 59.6° |
| C19 | C12 | C18 | H183 | 67.5° | 179.6° |
| C12 | C19 | C20 | H19 | 180.0° | 180.0° |
| C12 | C19 | C20 | H201 | 180.0° | 5.9° |
| C12 | C19 | C20 | H202 | 0.0° | 174.1° |
| C14 | C13 | H131 | H132 | 113.2° | 116.7° |
| C13 | C14 | O3 | H14 | 116.0° | 118.7° |
| C13 | C14 | O3 | C21 | 89.9° | 113.0° |
| H131 | C13 | C14 | O3 | 105.1° | 90.2° |
| H131 | C13 | C14 | H14 | 133.8° | 153.4° |
| H132 | C13 | C14 | O3 | 4.4° | 25.8° |
| H132 | C13 | C14 | H14 | 116.7° | 90.6° |
| C14 | O3 | C21 | O4 | 0.0° | 1.9° |
| C14 | O3 | C21 | C22 | 179.9° | 178.0° |
| H14 | C14 | O3 | C21 | 26.2° | 5.7° |
| H151 | C15 | H152 | H153 | 109.4° | 120.0° |
| H161 | C16 | H162 | H163 | 109.5° | 120.0° |
| H171 | C17 | H172 | H173 | 109.5° | 120.0° |
| H181 | C18 | H182 | H183 | 109.5° | 120.0° |
| C19 | C20 | H201 | H202 | 180.0° | 180.0° |
| H19 | C19 | C20 | H201 | 0.0° | 174.1° |
| H19 | C19 | C20 | H202 | 180.0° | 5.9° |
| O3 | C21 | O4 | C22 | 180.0° | 180.0° |
| O3 | C21 | C22 | S1 | 179.9° | 180.0° |
| O3 | C21 | C22 | H221 | 54.8° | 59.9° |
| O3 | C21 | C22 | H222 | 54.7° | 60.0° |
| O4 | C21 | C22 | S1 | 0.0° | 0.0° |
| O4 | C21 | C22 | H221 | 125.2° | 120.0° |
| O4 | C21 | C22 | H222 | 125.3° | 120.0° |
| C21 | C22 | S1 | H221 | 125.3° | 120.0° |
| C21 | C22 | S1 | H222 | 125.2° | 120.0° |
| C21 | C22 | H221 | H222 | 117.8° | 119.9° |
| C21 | C22 | S1 | C23 | 91.5° | 180.0° |
| S1 | C22 | H221 | H222 | 117.8° | 120.0° |
| C22 | S1 | C23 | C24 | 158.7° | 180.0° |
| C22 | S1 | C23 | H231 | 33.5° | 60.0° |
| C22 | S1 | C23 | H232 | 76.0° | 60.0° |
| H221 | C22 | S1 | C23 | 143.2° | 60.0° |
| H222 | C22 | S1 | C23 | 33.7° | 60.0° |
| S1 | C23 | C24 | H231 | 125.3° | 120.0° |
| S1 | C23 | C24 | H232 | 125.3° | 120.1° |
| S1 | C23 | H231 | H232 | 118.1° | 120.0° |
| S1 | C23 | C24 | N1 | 173.1° | 174.7° |
| S1 | C23 | C24 | H241 | 61.6° | 54.8° |
| S1 | C23 | C24 | H242 | 47.9° | 65.2° |
| C24 | C23 | H231 | H232 | 118.1° | 120.0° |
| C23 | C24 | N1 | H241 | 125.3° | 120.0° |
| C23 | C24 | N1 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 117.8° | 120.0° |
| C23 | C24 | N1 | C25 | 62.1° | 75.2° |
| C23 | C24 | N1 | C27 | 179.8° | 171.0° |
| H231 | C23 | C24 | N1 | 47.9° | 65.3° |
| H231 | C23 | C24 | H241 | 173.1° | 174.8° |
| H231 | C23 | C24 | H242 | 77.4° | 54.7° |
| H232 | C23 | C24 | N1 | 61.6° | 54.7° |
| H232 | C23 | C24 | H241 | 63.7° | 65.3° |
| H232 | C23 | C24 | H242 | 173.2° | 174.7° |
| N1 | C24 | H241 | H242 | 117.8° | 120.0° |
| C24 | N1 | C25 | C27 | 117.8° | 113.8° |
| C24 | N1 | C25 | C26 | 142.3° | 170.0° |
| C24 | N1 | C25 | H251 | 92.5° | 70.0° |
| C24 | N1 | C25 | H252 | 17.0° | 50.0° |
| C24 | N1 | C27 | C28 | 118.4° | 81.8° |
| C24 | N1 | C27 | H271 | 6.8° | 158.2° |
| C24 | N1 | C27 | H272 | 116.3° | 38.2° |
| H241 | C24 | N1 | C25 | 172.6° | 164.8° |
| H241 | C24 | N1 | C27 | 54.5° | 51.0° |
| H242 | C24 | N1 | C25 | 63.2° | 44.8° |
| H242 | C24 | N1 | C27 | 55.0° | 69.0° |
| N1 | C25 | C26 | H251 | 125.3° | 119.9° |
| N1 | C25 | C26 | H252 | 125.3° | 120.0° |
| N1 | C25 | H251 | H252 | 118.0° | 120.0° |
| N1 | C25 | C26 | H261 | 54.7° | 60.0° |
| N1 | C25 | C26 | H262 | 180.0° | 60.0° |
| N1 | C25 | C26 | H263 | 54.7° | 179.9° |
| C25 | N1 | C27 | C28 | 124.8° | 164.4° |
| C25 | N1 | C27 | H271 | 109.9° | 44.5° |
| C25 | N1 | C27 | H272 | 0.5° | 75.6° |
| C27 | N1 | C25 | C26 | 100.0° | 76.2° |
| C27 | N1 | C25 | H251 | 25.3° | 43.8° |
| C27 | N1 | C25 | H252 | 134.7° | 163.8° |
| N1 | C27 | C28 | H271 | 125.3° | 120.0° |
| N1 | C27 | C28 | H272 | 125.3° | 120.0° |
| N1 | C27 | H271 | H272 | 117.9° | 120.0° |
| N1 | C27 | C28 | H281 | 54.7° | 63.1° |
| N1 | C27 | C28 | H282 | 180.0° | 176.9° |
| N1 | C27 | C28 | H283 | 54.7° | 56.9° |
| C26 | C25 | H251 | H252 | 118.0° | 120.0° |
| C25 | C26 | H261 | H262 | 123.9° | 120.0° |
| C25 | C26 | H261 | H263 | 118.0° | 119.9° |
| C25 | C26 | H262 | H263 | 125.3° | 120.0° |
| H251 | C25 | C26 | H261 | 180.0° | 59.9° |
| H251 | C25 | C26 | H262 | 54.7° | 179.9° |
| H251 | C25 | C26 | H263 | 70.5° | 60.0° |
| H252 | C25 | C26 | H261 | 70.5° | 180.0° |
| H252 | C25 | C26 | H262 | 54.7° | 60.0° |
| H252 | C25 | C26 | H263 | 180.0° | 60.0° |
| H261 | C26 | H262 | H263 | 109.4° | 120.0° |
| C28 | C27 | H271 | H272 | 117.9° | 120.0° |
| C27 | C28 | H281 | H282 | 124.3° | 120.0° |
| C27 | C28 | H281 | H283 | 117.9° | 120.0° |
| C27 | C28 | H282 | H283 | 125.2° | 120.0° |
| H271 | C27 | C28 | H281 | 180.0° | 56.9° |
| H271 | C27 | C28 | H282 | 54.7° | 63.2° |
| H271 | C27 | C28 | H283 | 70.5° | 176.9° |
| H272 | C27 | C28 | H281 | 70.5° | 176.9° |
| H272 | C27 | C28 | H282 | 54.8° | 56.9° |
| H272 | C27 | C28 | H283 | 180.0° | 63.1° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
