886
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C5 | doub | 1.21Å | 1.26Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O2 | C5 | sing | 1.34Å | 1.25Å | |
| C5 | C4 | sing | 1.51Å | 1.57Å | |
| C2 | C4 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.46Å | 1.52Å | |
| C21 | C20 | doub | 1.37Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | S1 | sing | 1.66Å | 1.68Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.51Å | 1.51Å | |
| C18 | O5 | sing | 1.43Å | 1.43Å | |
| C25 | C22 | sing | 1.47Å | 1.51Å | |
| C25 | O6 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C9 | sing | 1.48Å | 1.48Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | O5 | sing | 1.36Å | 1.38Å | |
| C19 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | O4 | doub | 1.42Å | 1.45Å | |
| S1 | O3 | doub | 1.42Å | 1.45Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| O2 | H21O | sing | 0.97Å | 0.95Å | |
| N1 | H1N1 | sing | 0.97Å | 1.00Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C5 | O2 | 128.6° | 120.0° |
| O1 | C5 | C4 | 113.8° | 120.1° |
| C3 | C2 | C4 | 113.2° | 109.5° |
| C3 | C2 | C1 | 108.4° | 109.4° |
| C3 | C2 | H21 | 107.9° | 109.5° |
| C2 | C3 | H31 | 109.5° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| O2 | C5 | C4 | 117.6° | 120.0° |
| C5 | O2 | H21O | 109.5° | 116.9° |
| C5 | C4 | C2 | 114.3° | 109.4° |
| C5 | C4 | N1 | 104.0° | 109.4° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C4 | C2 | C1 | 110.2° | 109.5° |
| C2 | C4 | N1 | 106.4° | 109.4° |
| C4 | C2 | H21 | 106.0° | 109.5° |
| C2 | C4 | H41 | 106.7° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H21 | 111.1° | 109.5° |
| C27 | C26 | C25 | 113.3° | 109.5° |
| C27 | C26 | C28 | 112.6° | 109.5° |
| C27 | C26 | H261 | 105.6° | 109.4° |
| C26 | C27 | H271 | 109.5° | 109.4° |
| C26 | C27 | H272 | 109.4° | 109.5° |
| C26 | C27 | H273 | 109.4° | 109.4° |
| C4 | N1 | S1 | 118.3° | 120.0° |
| N1 | C4 | H41 | 116.7° | 109.5° |
| C4 | N1 | H1N1 | 106.6° | 120.1° |
| C20 | C21 | C22 | 121.8° | 119.9° |
| C21 | C20 | C19 | 120.5° | 120.1° |
| C21 | C20 | H201 | 119.8° | 120.0° |
| C20 | C21 | H211 | 119.1° | 120.1° |
| C21 | C22 | C25 | 123.0° | 120.1° |
| C21 | C22 | C23 | 117.2° | 119.8° |
| C22 | C21 | H211 | 119.1° | 120.0° |
| C20 | C19 | O5 | 128.9° | 119.9° |
| C20 | C19 | C24 | 117.6° | 120.2° |
| C19 | C20 | H201 | 119.7° | 119.9° |
| C17 | C16 | C15 | 120.9° | 120.1° |
| C16 | C17 | C12 | 121.4° | 119.9° |
| C17 | C16 | H161 | 119.6° | 120.0° |
| C16 | C17 | H171 | 119.3° | 120.0° |
| C16 | C15 | C18 | 119.5° | 119.9° |
| C16 | C15 | C14 | 118.4° | 120.2° |
| C15 | C16 | H161 | 119.5° | 119.9° |
| C17 | C12 | C9 | 121.5° | 120.1° |
| C17 | C12 | C13 | 117.3° | 119.8° |
| C12 | C17 | H171 | 119.3° | 120.1° |
| N1 | S1 | C6 | 104.6° | 107.2° |
| N1 | S1 | O4 | 109.5° | 106.4° |
| N1 | S1 | O3 | 106.5° | 106.4° |
| S1 | N1 | H1N1 | 106.7° | 119.9° |
| C25 | C26 | C28 | 112.7° | 109.5° |
| C26 | C25 | C22 | 125.2° | 120.0° |
| C26 | C25 | O6 | 117.3° | 120.0° |
| C25 | C26 | H261 | 105.5° | 109.5° |
| C28 | C26 | H261 | 106.3° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.4° | 109.5° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C15 | C18 | O5 | 111.9° | 109.5° |
| C18 | C15 | C14 | 122.2° | 119.9° |
| C15 | C18 | H181 | 108.7° | 109.5° |
| C15 | C18 | H182 | 108.1° | 109.5° |
| C18 | O5 | C19 | 124.2° | 117.0° |
| O5 | C18 | H181 | 108.7° | 109.5° |
| O5 | C18 | H182 | 108.1° | 109.4° |
| C22 | C25 | O6 | 115.2° | 120.0° |
| C25 | C22 | C23 | 119.8° | 120.1° |
| C22 | C23 | C24 | 120.9° | 119.8° |
| C22 | C23 | H231 | 119.5° | 120.1° |
| C15 | C14 | C13 | 120.5° | 120.1° |
| C15 | C14 | H141 | 119.7° | 120.0° |
| C9 | C12 | C13 | 121.2° | 120.1° |
| C12 | C9 | C8 | 120.9° | 120.1° |
| C12 | C9 | C10 | 121.5° | 120.2° |
| C12 | C13 | C14 | 121.6° | 119.9° |
| C12 | C13 | H131 | 119.2° | 120.0° |
| O5 | C19 | C24 | 113.4° | 119.9° |
| C19 | C24 | C23 | 122.0° | 120.2° |
| C19 | C24 | H241 | 119.0° | 119.9° |
| C9 | C8 | C7 | 121.8° | 119.9° |
| C8 | C9 | C10 | 117.6° | 119.7° |
| C9 | C8 | H81 | 119.1° | 120.0° |
| C8 | C7 | C6 | 119.1° | 120.1° |
| C8 | C7 | H71 | 120.5° | 119.9° |
| C7 | C8 | H81 | 119.1° | 120.1° |
| C9 | C10 | C11 | 121.1° | 119.9° |
| C9 | C10 | H101 | 119.4° | 120.0° |
| C7 | C6 | C11 | 120.7° | 120.2° |
| C7 | C6 | S1 | 119.1° | 119.9° |
| C6 | C7 | H71 | 120.5° | 119.9° |
| C14 | C13 | H131 | 119.2° | 120.1° |
| C13 | C14 | H141 | 119.8° | 120.0° |
| C10 | C11 | C6 | 119.7° | 120.2° |
| C11 | C10 | H101 | 119.5° | 120.1° |
| C10 | C11 | H111 | 120.2° | 119.9° |
| C24 | C23 | H231 | 119.6° | 120.1° |
| C23 | C24 | H241 | 119.0° | 119.9° |
| C11 | C6 | S1 | 120.2° | 119.9° |
| C6 | C11 | H111 | 120.2° | 120.0° |
| C6 | S1 | O4 | 106.6° | 106.4° |
| C6 | S1 | O3 | 108.7° | 106.4° |
| O4 | S1 | O3 | 120.0° | 123.2° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.4° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
| H181 | C18 | H182 | 111.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C5 | O2 | C4 | 179.3° | 180.0° |
| O1 | C5 | C4 | C2 | 63.4° | 120.0° |
| O1 | C5 | C4 | N1 | 52.1° | 0.0° |
| O1 | C5 | C4 | H41 | 177.2° | 120.0° |
| O1 | C5 | O2 | H21O | 0.0° | 0.0° |
| C3 | C2 | C4 | C5 | 60.1° | 60.1° |
| C3 | C2 | C4 | C1 | 121.5° | 119.9° |
| C3 | C2 | C4 | H21 | 118.2° | 120.0° |
| C3 | C2 | C1 | H21 | 118.4° | 120.0° |
| C3 | C2 | C4 | N1 | 174.3° | 180.0° |
| C3 | C2 | C1 | H11 | 42.4° | 60.0° |
| C3 | C2 | C1 | H12 | 162.4° | 180.0° |
| C3 | C2 | C1 | H13 | 77.5° | 60.0° |
| C2 | C3 | H31 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H33 | 120.0° | 120.0° |
| C2 | C3 | H32 | H33 | 120.0° | 120.0° |
| C3 | C2 | C4 | H41 | 60.5° | 60.0° |
| O2 | C5 | C4 | C2 | 117.2° | 60.0° |
| O2 | C5 | C4 | N1 | 127.3° | 180.0° |
| O2 | C5 | C4 | H41 | 2.2° | 60.0° |
| C5 | C4 | C2 | N1 | 114.2° | 119.9° |
| C5 | C4 | C2 | H41 | 120.6° | 120.0° |
| C5 | C4 | C2 | C1 | 178.4° | 180.0° |
| C5 | C4 | N1 | H41 | 120.1° | 120.0° |
| C5 | C4 | N1 | S1 | 110.9° | 95.0° |
| C5 | C4 | C2 | H21 | 58.1° | 60.0° |
| C4 | C5 | O2 | H21O | 179.3° | 180.0° |
| C5 | C4 | N1 | H1N1 | 129.1° | 85.0° |
| C4 | C2 | C1 | H21 | 117.2° | 120.1° |
| C2 | C4 | N1 | H41 | 118.9° | 120.1° |
| C2 | C4 | N1 | S1 | 128.1° | 145.0° |
| C4 | C2 | C1 | H11 | 166.8° | 180.0° |
| C4 | C2 | C1 | H12 | 73.2° | 60.1° |
| C4 | C2 | C1 | H13 | 46.9° | 59.9° |
| C4 | C2 | C3 | H31 | 64.0° | 60.1° |
| C4 | C2 | C3 | H32 | 56.0° | 180.0° |
| C4 | C2 | C3 | H33 | 176.0° | 60.0° |
| C2 | C4 | N1 | H1N1 | 8.0° | 34.9° |
| C1 | C2 | C4 | N1 | 64.2° | 60.1° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.1° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H31 | 58.5° | 180.0° |
| C1 | C2 | C3 | H32 | 178.5° | 60.0° |
| C1 | C2 | C3 | H33 | 61.5° | 60.0° |
| C1 | C2 | C4 | H41 | 61.0° | 60.0° |
| C27 | C26 | C25 | C28 | 129.4° | 120.0° |
| C27 | C26 | C25 | H261 | 115.1° | 120.0° |
| C27 | C26 | C28 | H261 | 115.2° | 119.9° |
| C27 | C26 | C25 | C22 | 47.8° | 155.0° |
| C27 | C26 | C25 | O6 | 150.1° | 25.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H273 | 120.0° | 119.9° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C26 | C28 | H281 | 114.1° | 180.0° |
| C27 | C26 | C28 | H282 | 5.9° | 59.9° |
| C27 | C26 | C28 | H283 | 126.0° | 60.0° |
| C4 | N1 | S1 | H1N1 | 120.0° | 180.0° |
| C4 | N1 | S1 | C6 | 94.9° | 65.0° |
| C4 | N1 | S1 | O4 | 19.0° | 48.5° |
| C4 | N1 | S1 | O3 | 150.1° | 178.5° |
| N1 | C4 | C2 | H21 | 56.1° | 60.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C21 | C20 | C19 | H201 | 180.0° | 179.9° |
| C20 | C21 | C22 | C25 | 179.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.9° | 0.1° |
| C21 | C20 | C19 | O5 | 178.1° | 180.0° |
| C21 | C20 | C19 | C24 | 1.1° | 0.2° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C25 | C26 | 139.6° | 179.9° |
| C21 | C22 | C25 | C23 | 178.1° | 179.9° |
| C21 | C22 | C25 | O6 | 58.0° | 0.0° |
| C21 | C22 | C23 | C24 | 0.8° | 0.2° |
| C22 | C21 | C20 | H201 | 179.9° | 179.9° |
| C21 | C22 | C23 | H231 | 179.2° | 180.0° |
| C20 | C19 | O5 | C18 | 64.4° | 0.3° |
| C20 | C19 | O5 | C24 | 177.2° | 179.7° |
| C20 | C19 | C24 | C23 | 1.1° | 0.5° |
| C19 | C20 | C21 | H211 | 179.9° | 180.0° |
| C20 | C19 | C24 | H241 | 178.9° | 179.8° |
| C17 | C16 | C15 | H161 | 180.0° | 179.3° |
| C16 | C17 | C12 | H171 | 180.0° | 179.3° |
| C17 | C16 | C15 | C18 | 179.2° | 179.7° |
| C17 | C16 | C15 | C14 | 0.2° | 0.4° |
| C16 | C17 | C12 | C9 | 179.1° | 179.7° |
| C16 | C17 | C12 | C13 | 1.1° | 0.7° |
| C15 | C16 | C17 | C12 | 0.4° | 0.7° |
| C16 | C15 | C18 | C14 | 179.4° | 180.0° |
| C16 | C15 | C18 | O5 | 163.3° | 90.1° |
| C16 | C15 | C14 | C13 | 0.0° | 0.0° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| C15 | C16 | C17 | H171 | 179.6° | 180.0° |
| C16 | C15 | C18 | H181 | 43.3° | 30.0° |
| C16 | C15 | C18 | H182 | 77.7° | 150.0° |
| C17 | C12 | C9 | C13 | 177.9° | 179.7° |
| C17 | C12 | C9 | C8 | 24.4° | 0.3° |
| C17 | C12 | C9 | C10 | 156.8° | 179.7° |
| C17 | C12 | C13 | C14 | 1.3° | 0.3° |
| C17 | C12 | C13 | H131 | 178.8° | 179.7° |
| C12 | C17 | C16 | H161 | 179.6° | 180.0° |
| N1 | S1 | C6 | C7 | 77.5° | 89.7° |
| N1 | S1 | C6 | C11 | 102.5° | 90.0° |
| N1 | S1 | C6 | O4 | 116.0° | 113.5° |
| N1 | S1 | C6 | O3 | 113.4° | 113.5° |
| N1 | S1 | O4 | O3 | 123.5° | 123.0° |
| S1 | N1 | C4 | H41 | 9.2° | 25.0° |
| C25 | C26 | C28 | H261 | 115.1° | 120.0° |
| C26 | C25 | C22 | O6 | 162.4° | 180.0° |
| C26 | C25 | C22 | C23 | 42.4° | 0.0° |
| C25 | C26 | C27 | H271 | 79.5° | 60.0° |
| C25 | C26 | C27 | H272 | 160.6° | 179.9° |
| C25 | C26 | C27 | H273 | 40.5° | 60.0° |
| C25 | C26 | C28 | H281 | 15.7° | 60.0° |
| C25 | C26 | C28 | H282 | 135.7° | 180.0° |
| C25 | C26 | C28 | H283 | 104.3° | 60.0° |
| C28 | C26 | C25 | C22 | 81.6° | 85.0° |
| C28 | C26 | C25 | O6 | 80.5° | 95.0° |
| C28 | C26 | C27 | H271 | 151.1° | 60.1° |
| C28 | C26 | C27 | H272 | 31.1° | 60.0° |
| C28 | C26 | C27 | H273 | 88.9° | 180.0° |
| C26 | C28 | H281 | H282 | 120.0° | 120.1° |
| C26 | C28 | H281 | H283 | 120.0° | 120.0° |
| C26 | C28 | H282 | H283 | 120.0° | 120.0° |
| C15 | C18 | O5 | H181 | 120.0° | 120.0° |
| C15 | C18 | O5 | H182 | 119.0° | 120.0° |
| C15 | C18 | O5 | C19 | 140.9° | 180.0° |
| C18 | C15 | C14 | C13 | 179.3° | 180.0° |
| C18 | C15 | C14 | H141 | 0.7° | 0.0° |
| C18 | C15 | C16 | H161 | 0.8° | 0.3° |
| C15 | C18 | H181 | H182 | 119.0° | 120.0° |
| O5 | C18 | C15 | C14 | 17.4° | 90.0° |
| C18 | O5 | C19 | C24 | 118.4° | 180.0° |
| O5 | C18 | H181 | H182 | 119.0° | 120.0° |
| C25 | C22 | C23 | C24 | 179.0° | 179.8° |
| C25 | C22 | C21 | H211 | 1.0° | 0.1° |
| C25 | C22 | C23 | H231 | 1.0° | 0.1° |
| C22 | C25 | C26 | H261 | 162.8° | 35.0° |
| O6 | C25 | C22 | C23 | 120.1° | 180.0° |
| O6 | C25 | C26 | H261 | 35.1° | 145.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C22 | C23 | C24 | H231 | 180.0° | 179.8° |
| C23 | C22 | C21 | H211 | 179.1° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 179.8° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 179.3° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.7° |
| C14 | C15 | C18 | H181 | 137.4° | 150.0° |
| C14 | C15 | C18 | H182 | 101.6° | 30.0° |
| C12 | C9 | C8 | C10 | 178.8° | 179.9° |
| C12 | C9 | C8 | C7 | 179.0° | 180.0° |
| C9 | C12 | C13 | C14 | 179.3° | 180.0° |
| C12 | C9 | C10 | C11 | 179.0° | 180.0° |
| C12 | C9 | C8 | H81 | 1.0° | 0.1° |
| C12 | C9 | C10 | H101 | 1.0° | 0.0° |
| C9 | C12 | C13 | H131 | 0.7° | 0.0° |
| C9 | C12 | C17 | H171 | 0.9° | 0.3° |
| C13 | C12 | C9 | C8 | 153.5° | 179.9° |
| C13 | C12 | C9 | C10 | 25.3° | 0.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | H141 | 179.3° | 180.0° |
| C13 | C12 | C17 | H171 | 178.9° | 180.0° |
| O5 | C19 | C24 | C23 | 178.6° | 179.8° |
| C19 | O5 | C18 | H181 | 99.1° | 60.0° |
| C19 | O5 | C18 | H182 | 21.9° | 60.0° |
| O5 | C19 | C20 | H201 | 1.9° | 0.1° |
| O5 | C19 | C24 | H241 | 1.4° | 0.0° |
| C19 | C24 | C23 | H241 | 180.0° | 179.7° |
| C24 | C19 | C20 | H201 | 178.9° | 179.8° |
| C19 | C24 | C23 | H231 | 179.8° | 179.7° |
| C9 | C8 | C7 | H81 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C7 | H71 | 180.0° | 180.0° |
| C8 | C9 | C10 | H101 | 179.8° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C8 | C7 | C6 | H71 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.1° | 0.1° |
| C8 | C7 | C6 | S1 | 179.9° | 179.7° |
| C9 | C10 | C11 | H101 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.1° | 0.0° |
| C10 | C9 | C8 | H81 | 179.8° | 180.0° |
| C9 | C10 | C11 | H111 | 179.9° | 179.8° |
| C7 | C6 | C11 | C10 | 0.1° | 0.0° |
| C7 | C6 | C11 | S1 | 180.0° | 179.7° |
| C7 | C6 | S1 | O4 | 166.5° | 23.8° |
| C7 | C6 | S1 | O3 | 35.9° | 156.8° |
| C6 | C7 | C8 | H81 | 180.0° | 180.0° |
| C7 | C6 | C11 | H111 | 179.9° | 179.8° |
| C10 | C11 | C6 | H111 | 180.0° | 179.8° |
| C10 | C11 | C6 | S1 | 180.0° | 179.7° |
| C11 | C6 | S1 | O4 | 13.5° | 156.5° |
| C11 | C6 | S1 | O3 | 144.1° | 23.6° |
| C11 | C6 | C7 | H71 | 179.9° | 180.0° |
| C6 | C11 | C10 | H101 | 179.9° | 179.9° |
| C6 | S1 | O4 | O3 | 123.9° | 122.9° |
| C6 | S1 | N1 | H1N1 | 145.1° | 115.0° |
| S1 | C6 | C7 | H71 | 0.1° | 0.3° |
| S1 | C6 | C11 | H111 | 0.0° | 0.1° |
| O4 | S1 | N1 | H1N1 | 101.0° | 131.5° |
| O3 | S1 | N1 | H1N1 | 30.1° | 1.5° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | H21 | 76.0° | 59.9° |
| H12 | C1 | C2 | H21 | 44.0° | 60.0° |
| H13 | C1 | C2 | H21 | 164.0° | 180.0° |
| H21 | C2 | C3 | H31 | 178.9° | 60.0° |
| H21 | C2 | C3 | H32 | 61.1° | 60.0° |
| H21 | C2 | C3 | H33 | 58.9° | 180.0° |
| H21 | C2 | C4 | H41 | 178.7° | 180.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H41 | C4 | N1 | H1N1 | 110.9° | 155.0° |
| H71 | C7 | C8 | H81 | 0.0° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.3° |
| H131 | C13 | C14 | H141 | 0.7° | 0.0° |
| H161 | C16 | C17 | H171 | 0.4° | 0.6° |
| H201 | C20 | C21 | H211 | 0.1° | 0.0° |
| H231 | C23 | C24 | H241 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 35.5° | 180.0° |
| H261 | C26 | C27 | H272 | 84.5° | 60.0° |
| H261 | C26 | C27 | H273 | 155.5° | 60.0° |
| H261 | C26 | C28 | H281 | 130.7° | 60.1° |
| H261 | C26 | C28 | H282 | 109.2° | 60.0° |
| H261 | C26 | C28 | H283 | 10.8° | 180.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
