DJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.52Å | 1.52Å | |
| C | C5 | sing | 1.51Å | 1.49Å | |
| C | C27 | sing | 1.52Å | 1.51Å | |
| C | H | sing | 1.10Å | 1.10Å | |
| O | C27 | sing | 1.44Å | 1.44Å | |
| O | C3 | sing | 1.43Å | 1.44Å | |
| C27 | O9 | sing | 1.43Å | 1.43Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| O9 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.10Å | 1.10Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.10Å | 1.10Å | |
| C3 | C5 | sing | 1.51Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C5 | O4 | sing | 1.41Å | 1.42Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| O4 | C4 | sing | 1.37Å | 1.34Å | |
| C4 | N1 | sing | 1.38Å | 1.34Å | |
| C4 | O5 | doub | 1.23Å | 1.23Å | |
| N1 | C6 | sing | 1.45Å | 1.44Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C6 | C8 | sing | 1.54Å | 1.55Å | |
| C6 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C12 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C7 | C15 | sing | 1.53Å | 1.51Å | |
| C7 | O6 | sing | 1.43Å | 1.42Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C15 | N2 | sing | 1.48Å | 1.46Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N2 | S | sing | 1.73Å | 1.69Å | |
| N2 | C16 | sing | 1.49Å | 1.48Å | |
| S | O7 | doub | 1.45Å | 1.51Å | |
| S | C18 | sing | 1.77Å | 1.75Å | |
| S | O8 | doub | 1.45Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C21 | O1 | sing | 1.36Å | 1.41Å | |
| C21 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| O1 | C26 | sing | 1.43Å | 1.44Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | C24 | sing | 1.53Å | 1.54Å | |
| C17 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C25 | H253 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C5 | 115.4° | 116.8° |
| C1 | C | C27 | 111.1° | 102.9° |
| C1 | C | H | 105.6° | 109.1° |
| C | C1 | C2 | 98.0° | 101.8° |
| C | C1 | H11A | 113.5° | 113.3° |
| C | C1 | H12A | 115.8° | 111.6° |
| C5 | C | C27 | 113.8° | 103.2° |
| C5 | C | H | 102.4° | 112.4° |
| C | C5 | C3 | 94.8° | 102.5° |
| C | C5 | O4 | 106.4° | 113.7° |
| C | C5 | H5 | 120.2° | 109.9° |
| C27 | C | H | 107.5° | 111.9° |
| C | C27 | O | 102.6° | 107.4° |
| C | C27 | O9 | 99.3° | 107.6° |
| C | C27 | H27 | 121.7° | 112.5° |
| C27 | O | C3 | 108.1° | 108.9° |
| O | C27 | O9 | 115.1° | 112.2° |
| O | C27 | H27 | 107.7° | 108.0° |
| O | C3 | C5 | 110.1° | 106.4° |
| O | C3 | H31 | 109.3° | 109.4° |
| O | C3 | H32 | 109.1° | 108.8° |
| O9 | C27 | H27 | 110.6° | 109.1° |
| C27 | O9 | C2 | 105.8° | 108.5° |
| O9 | C2 | C1 | 106.3° | 106.3° |
| O9 | C2 | H21 | 110.6° | 109.8° |
| O9 | C2 | H22A | 111.2° | 108.0° |
| C1 | C2 | H21 | 110.5° | 112.8° |
| C1 | C2 | H22A | 111.2° | 111.3° |
| C2 | C1 | H11A | 113.5° | 112.8° |
| C2 | C1 | H12A | 115.8° | 109.6° |
| H21 | C2 | H22A | 107.0° | 108.6° |
| H11A | C1 | H12A | 101.0° | 107.8° |
| C5 | C3 | H31 | 109.3° | 112.1° |
| C5 | C3 | H32 | 109.1° | 112.5° |
| C3 | C5 | O4 | 109.9° | 111.7° |
| C3 | C5 | H5 | 117.2° | 109.9° |
| H31 | C3 | H32 | 110.0° | 107.5° |
| O4 | C5 | H5 | 107.4° | 109.0° |
| C5 | O4 | C4 | 115.9° | 115.9° |
| O4 | C4 | N1 | 108.5° | 109.6° |
| O4 | C4 | O5 | 126.0° | 124.6° |
| N1 | C4 | O5 | 125.4° | 125.8° |
| C4 | N1 | C6 | 119.7° | 123.6° |
| C4 | N1 | HN1 | 120.2° | 118.2° |
| C6 | N1 | HN1 | 120.2° | 118.2° |
| N1 | C6 | C8 | 110.3° | 108.8° |
| N1 | C6 | C7 | 107.8° | 110.7° |
| N1 | C6 | H6 | 110.7° | 105.5° |
| C8 | C6 | C7 | 111.3° | 113.6° |
| C8 | C6 | H6 | 107.1° | 109.4° |
| C6 | C8 | C9 | 110.4° | 114.0° |
| C6 | C8 | H81 | 109.2° | 110.3° |
| C6 | C8 | H82 | 109.0° | 109.5° |
| C7 | C6 | H6 | 109.7° | 108.5° |
| C6 | C7 | C15 | 109.4° | 112.4° |
| C6 | C7 | O6 | 110.0° | 109.1° |
| C6 | C7 | H7 | 109.0° | 109.1° |
| C9 | C8 | H81 | 109.1° | 110.1° |
| C9 | C8 | H82 | 109.0° | 107.7° |
| C8 | C9 | C11 | 119.8° | 119.4° |
| C8 | C9 | C10 | 119.9° | 119.4° |
| H81 | C8 | H82 | 110.2° | 104.8° |
| C11 | C9 | C10 | 120.3° | 121.2° |
| C9 | C11 | C13 | 119.8° | 119.4° |
| C9 | C11 | H11 | 120.1° | 121.1° |
| C9 | C10 | C12 | 120.0° | 119.4° |
| C9 | C10 | H10 | 120.0° | 121.1° |
| C13 | C11 | H11 | 120.1° | 119.5° |
| C11 | C13 | C14 | 120.3° | 120.0° |
| C11 | C13 | H13 | 119.9° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C12 | 119.7° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C12 | C14 | H14 | 120.1° | 120.0° |
| C14 | C12 | C10 | 120.0° | 120.0° |
| C14 | C12 | H12 | 120.0° | 120.0° |
| C10 | C12 | H12 | 120.0° | 120.0° |
| C12 | C10 | H10 | 120.0° | 119.5° |
| C15 | C7 | O6 | 109.0° | 109.4° |
| C15 | C7 | H7 | 110.0° | 109.5° |
| C7 | C15 | N2 | 111.9° | 109.7° |
| C7 | C15 | H151 | 108.7° | 111.6° |
| C7 | C15 | H152 | 108.1° | 111.1° |
| O6 | C7 | H7 | 109.5° | 107.3° |
| C7 | O6 | HO6 | 109.5° | 106.4° |
| N2 | C15 | H151 | 108.7° | 107.6° |
| N2 | C15 | H152 | 108.2° | 107.6° |
| C15 | N2 | S | 117.2° | 117.9° |
| C15 | N2 | C16 | 121.6° | 112.1° |
| H151 | C15 | H152 | 111.4° | 109.0° |
| S | N2 | C16 | 119.0° | 117.7° |
| N2 | S | O7 | 107.6° | 109.6° |
| N2 | S | C18 | 106.3° | 102.6° |
| N2 | S | O8 | 111.2° | 109.4° |
| N2 | C16 | C17 | 112.0° | 111.8° |
| N2 | C16 | H161 | 108.6° | 108.4° |
| N2 | C16 | H162 | 108.1° | 108.1° |
| O7 | S | C18 | 110.3° | 107.2° |
| O7 | S | O8 | 103.9° | 119.5° |
| C18 | S | O8 | 117.2° | 107.2° |
| S | C18 | C19 | 118.0° | 119.1° |
| S | C18 | C23 | 122.1° | 119.1° |
| C19 | C18 | C23 | 119.9° | 121.8° |
| C18 | C19 | C20 | 120.4° | 119.1° |
| C18 | C19 | H19 | 119.8° | 121.5° |
| C18 | C23 | C22 | 119.6° | 119.1° |
| C18 | C23 | H23 | 120.2° | 121.5° |
| C22 | C23 | H23 | 120.2° | 119.4° |
| C23 | C22 | C21 | 120.4° | 120.0° |
| C23 | C22 | H22 | 119.8° | 119.6° |
| C21 | C22 | H22 | 119.8° | 120.4° |
| C22 | C21 | O1 | 121.5° | 120.0° |
| C22 | C21 | C20 | 119.2° | 120.0° |
| O1 | C21 | C20 | 119.3° | 120.0° |
| C21 | O1 | C26 | 116.5° | 117.1° |
| C21 | C20 | C19 | 120.5° | 120.0° |
| C21 | C20 | H20 | 119.7° | 120.3° |
| O1 | C26 | H261 | 109.5° | 109.5° |
| O1 | C26 | H262 | 109.4° | 109.6° |
| O1 | C26 | H263 | 109.5° | 108.9° |
| H261 | C26 | H262 | 109.5° | 110.1° |
| H261 | C26 | H263 | 109.4° | 109.3° |
| H262 | C26 | H263 | 109.5° | 109.4° |
| C19 | C20 | H20 | 119.7° | 119.7° |
| C20 | C19 | H19 | 119.8° | 119.3° |
| C17 | C16 | H161 | 108.7° | 110.7° |
| C17 | C16 | H162 | 108.1° | 110.1° |
| C16 | C17 | C24 | 110.7° | 112.0° |
| C16 | C17 | C25 | 108.8° | 112.3° |
| C16 | C17 | H17 | 108.9° | 106.9° |
| H161 | C16 | H162 | 111.4° | 107.6° |
| C24 | C17 | C25 | 109.1° | 110.6° |
| C24 | C17 | H17 | 108.7° | 107.4° |
| C17 | C24 | H241 | 109.5° | 111.8° |
| C17 | C24 | H242 | 109.5° | 110.6° |
| C17 | C24 | H243 | 109.4° | 110.8° |
| C25 | C17 | H17 | 110.6° | 107.3° |
| C17 | C25 | H251 | 109.5° | 111.9° |
| C17 | C25 | H252 | 109.5° | 110.5° |
| C17 | C25 | H253 | 109.5° | 110.9° |
| H251 | C25 | H252 | 109.5° | 107.6° |
| H251 | C25 | H253 | 109.5° | 108.2° |
| H252 | C25 | H253 | 109.4° | 107.6° |
| H241 | C24 | H242 | 109.5° | 107.7° |
| H241 | C24 | H243 | 109.4° | 108.1° |
| H242 | C24 | H243 | 109.5° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C5 | C27 | 130.1° | 112.1° |
| C1 | C | C5 | H | 114.2° | 127.2° |
| C1 | C | C27 | H | 115.1° | 117.0° |
| C1 | C | C27 | O | 144.7° | 99.3° |
| C1 | C | C27 | O9 | 26.2° | 21.8° |
| C1 | C | C27 | H27 | 95.1° | 142.0° |
| C | C1 | C2 | O9 | 24.7° | 34.7° |
| C | C1 | C2 | H11A | 120.0° | 121.7° |
| C | C1 | C2 | H12A | 123.8° | 118.2° |
| C | C1 | C2 | H21 | 144.7° | 155.0° |
| C | C1 | C2 | H22A | 96.6° | 82.6° |
| C | C1 | H11A | H12A | 124.6° | 124.0° |
| C1 | C | C5 | C3 | 156.7° | 79.6° |
| C1 | C | C5 | O4 | 44.4° | 41.1° |
| C1 | C | C5 | H5 | 77.8° | 163.6° |
| C5 | C | C27 | H | 112.7° | 121.1° |
| C5 | C | C27 | O | 12.5° | 22.6° |
| C | C5 | C3 | O | 32.3° | 32.0° |
| C5 | C | C27 | O9 | 106.0° | 143.7° |
| C5 | C | C27 | H27 | 132.7° | 96.1° |
| C5 | C | C1 | C2 | 129.9° | 145.7° |
| C5 | C | C1 | H11A | 110.1° | 92.9° |
| C5 | C | C1 | H12A | 6.1° | 29.0° |
| C | C5 | C3 | O4 | 109.3° | 122.1° |
| C | C5 | C3 | H5 | 127.7° | 116.8° |
| C | C5 | C3 | H31 | 87.7° | 151.5° |
| C | C5 | C3 | H32 | 152.0° | 87.1° |
| C | C5 | O4 | H5 | 130.0° | 123.0° |
| C | C5 | O4 | C4 | 119.7° | 62.9° |
| C | C27 | O | O9 | 106.7° | 118.1° |
| C | C27 | O | H27 | 129.6° | 121.6° |
| C | C27 | O | C3 | 9.7° | 2.8° |
| C | C27 | O9 | H27 | 129.1° | 122.4° |
| C | C27 | O9 | C2 | 42.2° | 0.2° |
| C27 | C | C1 | C2 | 1.5° | 33.5° |
| C27 | C | C1 | H11A | 118.5° | 154.8° |
| C27 | C | C1 | H12A | 125.3° | 83.3° |
| C27 | C | C5 | C3 | 26.6° | 32.5° |
| C27 | C | C5 | O4 | 85.7° | 153.2° |
| C27 | C | C5 | H5 | 152.1° | 84.3° |
| H | C | C27 | O | 100.2° | 143.7° |
| H | C | C27 | O9 | 141.3° | 95.2° |
| H | C | C27 | H27 | 20.1° | 25.0° |
| H | C | C1 | C2 | 117.8° | 85.5° |
| H | C | C1 | H11A | 2.2° | 35.8° |
| H | C | C1 | H12A | 118.4° | 157.7° |
| H | C | C5 | C3 | 89.1° | 153.2° |
| H | C | C5 | O4 | 158.6° | 86.1° |
| H | C | C5 | H5 | 36.4° | 36.4° |
| O | C27 | O9 | H27 | 122.3° | 119.6° |
| O | C27 | O9 | C2 | 150.9° | 117.8° |
| C27 | O | C3 | C5 | 28.4° | 18.4° |
| C27 | O | C3 | H31 | 91.6° | 139.7° |
| C27 | O | C3 | H32 | 148.1° | 103.1° |
| C3 | O | C27 | O9 | 116.3° | 120.9° |
| C3 | O | C27 | H27 | 119.9° | 118.8° |
| O | C3 | C5 | H31 | 120.0° | 119.6° |
| O | C3 | C5 | H32 | 119.7° | 119.1° |
| O | C3 | H31 | H32 | 119.7° | 118.0° |
| O | C3 | C5 | O4 | 77.1° | 154.1° |
| O | C3 | C5 | H5 | 159.9° | 84.9° |
| C27 | O9 | C2 | C1 | 44.5° | 21.9° |
| C27 | O9 | C2 | H21 | 164.5° | 144.2° |
| C27 | O9 | C2 | H22A | 76.7° | 97.5° |
| H27 | C27 | O9 | C2 | 86.9° | 122.6° |
| O9 | C2 | C1 | H21 | 120.0° | 120.3° |
| O9 | C2 | C1 | H22A | 121.2° | 117.3° |
| O9 | C2 | H21 | H22A | 121.3° | 117.8° |
| O9 | C2 | C1 | H11A | 144.7° | 156.4° |
| O9 | C2 | C1 | H12A | 99.1° | 83.5° |
| C1 | C2 | H21 | H22A | 121.3° | 123.9° |
| C2 | C1 | H11A | H12A | 124.6° | 121.1° |
| H21 | C2 | C1 | H11A | 95.3° | 83.2° |
| H21 | C2 | C1 | H12A | 20.9° | 36.8° |
| H22A | C2 | C1 | H11A | 23.5° | 39.2° |
| H22A | C2 | C1 | H12A | 139.6° | 159.2° |
| C5 | C3 | H31 | H32 | 119.8° | 124.1° |
| C3 | C5 | O4 | H5 | 128.6° | 121.6° |
| C3 | C5 | O4 | C4 | 138.8° | 178.4° |
| H31 | C3 | C5 | O4 | 162.9° | 86.4° |
| H31 | C3 | C5 | H5 | 39.9° | 34.7° |
| H32 | C3 | C5 | O4 | 42.6° | 34.9° |
| H32 | C3 | C5 | H5 | 80.4° | 156.0° |
| C5 | O4 | C4 | N1 | 178.0° | 180.0° |
| C5 | O4 | C4 | O5 | 0.9° | 0.1° |
| H5 | C5 | O4 | C4 | 10.3° | 60.0° |
| O4 | C4 | N1 | O5 | 179.0° | 179.9° |
| O4 | C4 | N1 | C6 | 178.9° | 180.0° |
| O4 | C4 | N1 | HN1 | 1.1° | 0.0° |
| C4 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C4 | N1 | C6 | C8 | 125.2° | 147.3° |
| C4 | N1 | C6 | C7 | 113.1° | 87.2° |
| C4 | N1 | C6 | H6 | 6.9° | 30.0° |
| O5 | C4 | N1 | C6 | 0.0° | 0.0° |
| O5 | C4 | N1 | HN1 | 179.9° | 179.9° |
| N1 | C6 | C8 | C7 | 119.6° | 123.8° |
| N1 | C6 | C8 | H6 | 120.6° | 114.8° |
| N1 | C6 | C7 | H6 | 120.6° | 115.4° |
| N1 | C6 | C8 | C9 | 57.0° | 74.8° |
| N1 | C6 | C8 | H81 | 177.0° | 49.6° |
| N1 | C6 | C8 | H82 | 62.6° | 164.5° |
| N1 | C6 | C7 | C15 | 173.7° | 61.2° |
| N1 | C6 | C7 | O6 | 54.0° | 60.3° |
| N1 | C6 | C7 | H7 | 66.0° | 177.2° |
| HN1 | N1 | C6 | C8 | 54.8° | 32.7° |
| HN1 | N1 | C6 | C7 | 66.9° | 92.7° |
| HN1 | N1 | C6 | H6 | 173.2° | 150.0° |
| C8 | C6 | C7 | H6 | 118.3° | 121.9° |
| C6 | C8 | C9 | H81 | 120.0° | 124.6° |
| C6 | C8 | C9 | H82 | 119.6° | 121.8° |
| C6 | C8 | H81 | H82 | 119.6° | 117.8° |
| C6 | C8 | C9 | C11 | 78.0° | 90.0° |
| C6 | C8 | C9 | C10 | 101.9° | 90.0° |
| C8 | C6 | C7 | C15 | 52.6° | 61.6° |
| C8 | C6 | C7 | O6 | 67.0° | 176.9° |
| C8 | C6 | C7 | H7 | 172.9° | 60.1° |
| C7 | C6 | C8 | C9 | 176.6° | 161.4° |
| C7 | C6 | C8 | H81 | 63.5° | 74.2° |
| C7 | C6 | C8 | H82 | 56.9° | 40.7° |
| C6 | C7 | C15 | O6 | 120.3° | 121.3° |
| C6 | C7 | C15 | H7 | 119.7° | 121.4° |
| C6 | C7 | O6 | H7 | 119.7° | 118.1° |
| C6 | C7 | O6 | HO6 | 136.4° | 79.5° |
| C6 | C7 | C15 | N2 | 88.6° | 179.2° |
| C6 | C7 | C15 | H151 | 151.4° | 60.0° |
| C6 | C7 | C15 | H152 | 30.3° | 61.9° |
| H6 | C6 | C8 | C9 | 63.5° | 40.0° |
| H6 | C6 | C8 | H81 | 56.4° | 164.4° |
| H6 | C6 | C8 | H82 | 176.8° | 80.7° |
| H6 | C6 | C7 | C15 | 65.7° | 176.5° |
| H6 | C6 | C7 | O6 | 174.6° | 55.0° |
| H6 | C6 | C7 | H7 | 54.6° | 61.8° |
| C9 | C8 | H81 | H82 | 119.6° | 115.6° |
| C8 | C9 | C11 | C10 | 179.8° | 180.0° |
| C8 | C9 | C11 | C13 | 179.8° | 180.0° |
| C8 | C9 | C11 | H11 | 0.3° | 0.0° |
| C8 | C9 | C10 | C12 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 0.3° | 0.0° |
| H81 | C8 | C9 | C11 | 42.0° | 145.4° |
| H81 | C8 | C9 | C10 | 138.1° | 34.6° |
| H82 | C8 | C9 | C11 | 162.4° | 31.7° |
| H82 | C8 | C9 | C10 | 17.8° | 148.3° |
| C9 | C11 | C13 | H11 | 180.0° | 180.0° |
| C9 | C11 | C13 | C14 | 0.1° | 0.0° |
| C9 | C11 | C13 | H13 | 180.0° | 180.0° |
| C11 | C9 | C10 | C12 | 0.1° | 0.0° |
| C11 | C9 | C10 | H10 | 179.9° | 180.0° |
| C10 | C9 | C11 | C13 | 0.1° | 0.0° |
| C10 | C9 | C11 | H11 | 179.9° | 180.0° |
| C9 | C10 | C12 | C14 | 0.0° | 0.0° |
| C9 | C10 | C12 | H10 | 180.0° | 180.0° |
| C9 | C10 | C12 | H12 | 180.0° | 180.0° |
| C11 | C13 | C14 | H13 | 180.0° | 180.0° |
| C11 | C13 | C14 | C12 | 0.2° | 0.0° |
| C11 | C13 | C14 | H14 | 179.8° | 180.0° |
| H11 | C11 | C13 | C14 | 180.0° | 180.0° |
| H11 | C11 | C13 | H13 | 0.0° | 0.0° |
| C13 | C14 | C12 | H14 | 180.0° | 179.9° |
| C13 | C14 | C12 | C10 | 0.2° | 0.0° |
| C13 | C14 | C12 | H12 | 179.8° | 180.0° |
| H13 | C13 | C14 | C12 | 179.8° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| C14 | C12 | C10 | H12 | 180.0° | 180.0° |
| C14 | C12 | C10 | H10 | 180.0° | 180.0° |
| H14 | C14 | C12 | C10 | 179.9° | 180.0° |
| H14 | C14 | C12 | H12 | 0.2° | 0.1° |
| H12 | C12 | C10 | H10 | 0.0° | 0.0° |
| C15 | C7 | O6 | H7 | 120.3° | 118.6° |
| C15 | C7 | O6 | HO6 | 103.6° | 157.2° |
| C7 | C15 | N2 | H151 | 120.0° | 121.7° |
| C7 | C15 | N2 | H152 | 119.0° | 121.0° |
| C7 | C15 | H151 | H152 | 119.0° | 123.1° |
| C7 | C15 | N2 | S | 114.3° | 88.4° |
| C7 | C15 | N2 | C16 | 82.6° | 130.2° |
| O6 | C7 | C15 | N2 | 151.1° | 57.9° |
| O6 | C7 | C15 | H151 | 31.1° | 61.4° |
| O6 | C7 | C15 | H152 | 90.0° | 176.7° |
| H7 | C7 | O6 | HO6 | 16.7° | 38.6° |
| H7 | C7 | C15 | N2 | 31.1° | 59.4° |
| H7 | C7 | C15 | H151 | 88.9° | 178.6° |
| H7 | C7 | C15 | H152 | 150.0° | 59.5° |
| N2 | C15 | H151 | H152 | 119.1° | 116.4° |
| C15 | N2 | S | C16 | 163.5° | 139.2° |
| C15 | N2 | S | O7 | 13.9° | 167.1° |
| C15 | N2 | S | C18 | 104.2° | 79.3° |
| C15 | N2 | S | O8 | 127.1° | 34.4° |
| C15 | N2 | C16 | C17 | 81.0° | 70.7° |
| C15 | N2 | C16 | H161 | 159.0° | 51.5° |
| C15 | N2 | C16 | H162 | 38.0° | 167.9° |
| H151 | C15 | N2 | S | 125.7° | 150.0° |
| H151 | C15 | N2 | C16 | 37.4° | 8.6° |
| H152 | C15 | N2 | S | 4.7° | 32.6° |
| H152 | C15 | N2 | C16 | 158.4° | 108.8° |
| N2 | S | O7 | C18 | 115.6° | 110.6° |
| N2 | S | O7 | O8 | 118.0° | 127.2° |
| N2 | S | C18 | O8 | 125.0° | 115.2° |
| N2 | S | C18 | C19 | 83.3° | 90.1° |
| N2 | S | C18 | C23 | 95.3° | 90.0° |
| S | N2 | C16 | C17 | 116.2° | 147.8° |
| S | N2 | C16 | H161 | 3.8° | 90.0° |
| S | N2 | C16 | H162 | 124.8° | 26.4° |
| C16 | N2 | S | O7 | 177.5° | 53.7° |
| C16 | N2 | S | C18 | 59.3° | 60.0° |
| C16 | N2 | S | O8 | 69.3° | 173.6° |
| N2 | C16 | C17 | H161 | 120.0° | 121.0° |
| N2 | C16 | C17 | H162 | 118.9° | 120.2° |
| N2 | C16 | H161 | H162 | 118.9° | 116.7° |
| N2 | C16 | C17 | C24 | 54.2° | 175.8° |
| N2 | C16 | C17 | C25 | 174.1° | 59.0° |
| N2 | C16 | C17 | H17 | 65.3° | 58.3° |
| O7 | S | C18 | O8 | 118.6° | 129.4° |
| O7 | S | C18 | C19 | 33.1° | 25.3° |
| O7 | S | C18 | C23 | 148.3° | 154.6° |
| S | C18 | C19 | C23 | 178.6° | 179.9° |
| S | C18 | C23 | C22 | 178.5° | 180.0° |
| S | C18 | C23 | H23 | 1.5° | 0.2° |
| S | C18 | C19 | C20 | 178.6° | 180.0° |
| S | C18 | C19 | H19 | 1.4° | 0.0° |
| O8 | S | C18 | C19 | 151.7° | 154.8° |
| O8 | S | C18 | C23 | 29.7° | 25.1° |
| C19 | C18 | C23 | C22 | 0.1° | 0.1° |
| C19 | C18 | C23 | H23 | 179.9° | 179.9° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C18 | C23 | C22 | H23 | 180.0° | 179.9° |
| C18 | C23 | C22 | C21 | 0.1° | 0.0° |
| C18 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C18 | C19 | C20 | 0.1° | 0.1° |
| C23 | C18 | C19 | H19 | 180.0° | 179.9° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | O1 | 179.5° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| H23 | C23 | C22 | C21 | 179.9° | 179.9° |
| H23 | C23 | C22 | H22 | 0.1° | 0.1° |
| C22 | C21 | O1 | C20 | 179.7° | 180.0° |
| C22 | C21 | O1 | C26 | 0.1° | 0.1° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | H20 | 179.9° | 180.0° |
| H22 | C22 | C21 | O1 | 0.5° | 0.0° |
| H22 | C22 | C21 | C20 | 179.8° | 180.0° |
| C21 | O1 | C26 | H261 | 115.4° | 2.9° |
| C21 | O1 | C26 | H262 | 124.6° | 123.7° |
| C21 | O1 | C26 | H263 | 4.5° | 116.7° |
| O1 | C21 | C20 | C19 | 179.5° | 180.0° |
| O1 | C21 | C20 | H20 | 0.4° | 0.0° |
| C20 | C21 | O1 | C26 | 179.6° | 179.9° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| O1 | C26 | H261 | H262 | 120.0° | 120.5° |
| O1 | C26 | H261 | H263 | 120.0° | 119.3° |
| O1 | C26 | H262 | H263 | 120.0° | 119.4° |
| H261 | C26 | H262 | H263 | 120.0° | 120.1° |
| H20 | C20 | C19 | H19 | 0.1° | 0.0° |
| C17 | C16 | H161 | H162 | 119.0° | 120.4° |
| C16 | C17 | C24 | C25 | 119.7° | 126.1° |
| C16 | C17 | C24 | H17 | 119.6° | 117.1° |
| C16 | C17 | C25 | H17 | 119.6° | 117.2° |
| C16 | C17 | C25 | H251 | 50.5° | 66.9° |
| C16 | C17 | C25 | H252 | 69.6° | 173.2° |
| C16 | C17 | C25 | H253 | 170.5° | 54.0° |
| C16 | C17 | C24 | H241 | 11.0° | 65.7° |
| C16 | C17 | C24 | H242 | 109.0° | 174.3° |
| C16 | C17 | C24 | H243 | 130.9° | 54.9° |
| H161 | C16 | C17 | C24 | 65.8° | 54.8° |
| H161 | C16 | C17 | C25 | 54.0° | 180.0° |
| H161 | C16 | C17 | H17 | 174.7° | 62.6° |
| H162 | C16 | C17 | C24 | 173.1° | 64.0° |
| H162 | C16 | C17 | C25 | 67.0° | 61.2° |
| H162 | C16 | C17 | H17 | 53.6° | 178.5° |
| C24 | C17 | C25 | H17 | 119.5° | 116.8° |
| C24 | C17 | C25 | H251 | 70.4° | 59.1° |
| C24 | C17 | C25 | H252 | 169.6° | 60.8° |
| C24 | C17 | C25 | H253 | 49.6° | 180.0° |
| C17 | C24 | H241 | H242 | 120.0° | 121.7° |
| C17 | C24 | H241 | H243 | 120.0° | 122.2° |
| C17 | C24 | H242 | H243 | 120.0° | 121.2° |
| C17 | C25 | H251 | H252 | 120.0° | 121.6° |
| C17 | C25 | H251 | H253 | 120.0° | 122.4° |
| C17 | C25 | H252 | H253 | 120.0° | 121.2° |
| C25 | C17 | C24 | H241 | 130.7° | 60.4° |
| C25 | C17 | C24 | H242 | 10.7° | 59.6° |
| C25 | C17 | C24 | H243 | 109.4° | 179.0° |
| H17 | C17 | C25 | H251 | 170.1° | 175.9° |
| H17 | C17 | C25 | H252 | 50.1° | 56.0° |
| H17 | C17 | C25 | H253 | 69.9° | 63.2° |
| H17 | C17 | C24 | H241 | 108.6° | 177.1° |
| H17 | C17 | C24 | H242 | 131.4° | 57.1° |
| H17 | C17 | C24 | H243 | 11.3° | 62.2° |
| H251 | C25 | H252 | H253 | 120.0° | 116.4° |
| H241 | C24 | H242 | H243 | 120.0° | 116.4° |
