DPS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.40Å | 1.44Å | |
| N1 | C15 | sing | 1.47Å | 1.48Å | |
| N1 | C18 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | S | sing | 1.76Å | 1.75Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N7 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C27 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C8 | N | sing | 1.47Å | 1.45Å | |
| C8 | C20 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C10 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C7 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.51Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| O2 | S | doub | 1.42Å | 1.41Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| S | N | sing | 1.66Å | 1.69Å | |
| C7 | C18 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C20 | C28 | sing | 1.51Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C9 | O3 | doub | 1.21Å | 1.35Å | |
| C9 | O4 | sing | 1.34Å | 1.19Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.41Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C28 | sing | 1.47Å | 1.45Å | Aromatic |
| C25 | C26 | doub | 1.37Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C15 | 118.2° | 106.7° |
| C1 | N1 | C18 | 120.7° | 106.7° |
| N1 | C1 | C2 | 120.1° | 120.1° |
| N1 | C1 | C6 | 121.5° | 120.1° |
| C15 | N1 | C18 | 119.8° | 107.3° |
| N1 | C15 | C13 | 116.6° | 109.8° |
| N1 | C15 | H151 | 109.6° | 109.5° |
| N1 | C15 | H152 | 109.6° | 109.4° |
| N1 | C18 | C7 | 113.8° | 109.8° |
| N1 | C18 | H181 | 110.6° | 109.4° |
| N1 | C18 | H182 | 110.7° | 109.4° |
| C3 | C2 | C1 | 120.3° | 119.9° |
| C3 | C2 | H2 | 119.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H3 | 119.9° | 119.9° |
| C1 | C2 | H2 | 120.7° | 120.0° |
| C2 | C1 | C6 | 118.3° | 119.8° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | 121.4° | 120.2° |
| C3 | C4 | S | 118.6° | 119.9° |
| C5 | C4 | S | 120.0° | 119.9° |
| C4 | C5 | C6 | 118.3° | 120.1° |
| C4 | C5 | H5 | 120.7° | 120.0° |
| C4 | S | O1 | 107.1° | 105.7° |
| C4 | S | O2 | 107.7° | 105.8° |
| C4 | S | N | 111.1° | 107.4° |
| C6 | C5 | H5 | 121.1° | 119.9° |
| C5 | C6 | C1 | 121.4° | 119.9° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C23 | N7 | C27 | 110.1° | 109.9° |
| C23 | N7 | HN7 | 126.2° | 125.0° |
| N7 | C23 | C22 | 133.7° | 133.5° |
| N7 | C23 | C24 | 107.4° | 107.2° |
| C27 | N7 | HN7 | 123.7° | 125.1° |
| N7 | C27 | C28 | 109.1° | 109.9° |
| N7 | C27 | H27 | 124.2° | 125.0° |
| N | C8 | C20 | 110.3° | 109.5° |
| N | C8 | C9 | 111.1° | 109.5° |
| N | C8 | H8 | 108.9° | 109.4° |
| C8 | N | S | 118.2° | 120.0° |
| C8 | N | HN | 109.0° | 120.0° |
| C20 | C8 | C9 | 112.5° | 109.4° |
| C20 | C8 | H8 | 107.4° | 109.5° |
| C8 | C20 | C28 | 110.7° | 109.4° |
| C8 | C20 | H201 | 111.8° | 109.5° |
| C8 | C20 | H202 | 111.8° | 109.5° |
| C9 | C8 | H8 | 106.5° | 109.5° |
| C8 | C9 | O3 | 114.9° | 120.0° |
| C8 | C9 | O4 | 120.6° | 120.0° |
| C12 | C10 | C19 | 119.4° | 120.0° |
| C12 | C10 | H10 | 120.2° | 120.0° |
| C10 | C12 | C14 | 120.6° | 120.0° |
| C10 | C12 | H12 | 119.5° | 120.0° |
| C19 | C10 | H10 | 120.4° | 120.0° |
| C10 | C19 | C17 | 120.0° | 120.0° |
| C10 | C19 | H19 | 119.9° | 120.0° |
| C7 | C11 | C13 | 110.4° | 108.9° |
| C7 | C11 | C16 | 112.3° | 109.6° |
| C7 | C11 | H11 | 108.1° | 109.6° |
| C11 | C7 | C18 | 110.3° | 109.2° |
| C11 | C7 | H71 | 111.9° | 109.5° |
| C11 | C7 | H72 | 111.9° | 109.5° |
| C13 | C11 | C16 | 112.9° | 109.6° |
| C13 | C11 | H11 | 107.5° | 109.6° |
| C11 | C13 | C15 | 111.2° | 109.2° |
| C11 | C13 | H131 | 111.6° | 109.5° |
| C11 | C13 | H132 | 111.5° | 109.5° |
| C16 | C11 | H11 | 105.3° | 109.6° |
| C11 | C16 | C14 | 122.3° | 120.0° |
| C11 | C16 | C17 | 118.9° | 120.0° |
| C14 | C12 | H12 | 119.9° | 120.0° |
| C12 | C14 | C16 | 120.4° | 119.9° |
| C12 | C14 | H14 | 119.9° | 120.0° |
| O1 | S | O2 | 119.7° | 125.4° |
| O1 | S | N | 104.0° | 105.7° |
| O2 | S | N | 107.1° | 105.8° |
| C1 | C6 | H6 | 119.7° | 120.1° |
| S | N | HN | 109.1° | 120.0° |
| C18 | C7 | H71 | 111.9° | 109.6° |
| C18 | C7 | H72 | 111.9° | 109.5° |
| C7 | C18 | H181 | 110.6° | 109.5° |
| C7 | C18 | H182 | 110.6° | 109.4° |
| H71 | C7 | H72 | 98.5° | 109.5° |
| C15 | C13 | H131 | 111.5° | 109.5° |
| C15 | C13 | H132 | 111.6° | 109.5° |
| C13 | C15 | H151 | 109.6° | 109.4° |
| C13 | C15 | H152 | 109.6° | 109.4° |
| H131 | C13 | H132 | 98.9° | 109.6° |
| H151 | C15 | H152 | 100.6° | 109.3° |
| H181 | C18 | H182 | 99.6° | 109.3° |
| C16 | C14 | H14 | 119.7° | 120.0° |
| C14 | C16 | C17 | 118.8° | 120.0° |
| C16 | C17 | C19 | 120.7° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| C19 | C17 | H17 | 119.5° | 120.0° |
| C17 | C19 | H19 | 120.0° | 120.0° |
| C28 | C20 | H201 | 111.7° | 109.5° |
| C28 | C20 | H202 | 111.7° | 109.5° |
| C20 | C28 | C24 | 126.0° | 126.5° |
| C20 | C28 | C27 | 127.0° | 126.5° |
| H201 | C20 | H202 | 98.6° | 109.4° |
| O3 | C9 | O4 | 124.5° | 120.0° |
| C9 | O4 | HO4 | 120.6° | 120.0° |
| C22 | C21 | C26 | 120.4° | 120.7° |
| C22 | C21 | H21 | 120.2° | 119.6° |
| C21 | C22 | C23 | 120.4° | 119.8° |
| C21 | C22 | H22 | 120.9° | 120.2° |
| C26 | C21 | H21 | 119.5° | 119.6° |
| C21 | C26 | C25 | 119.3° | 120.5° |
| C21 | C26 | H26 | 120.3° | 119.8° |
| C23 | C22 | H22 | 118.7° | 120.1° |
| C22 | C23 | C24 | 118.9° | 119.3° |
| C23 | C24 | C25 | 120.6° | 120.0° |
| C23 | C24 | C28 | 106.4° | 106.0° |
| C25 | C24 | C28 | 132.9° | 134.1° |
| C24 | C25 | C26 | 120.4° | 119.8° |
| C24 | C25 | H25 | 119.3° | 120.1° |
| C24 | C28 | C27 | 107.0° | 107.0° |
| C26 | C25 | H25 | 120.4° | 120.1° |
| C25 | C26 | H26 | 120.4° | 119.7° |
| C28 | C27 | H27 | 126.7° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C15 | C18 | 166.8° | 114.1° |
| N1 | C1 | C2 | C3 | 169.8° | 180.0° |
| N1 | C1 | C2 | C6 | 176.1° | 180.0° |
| N1 | C1 | C2 | H2 | 10.2° | 0.0° |
| N1 | C1 | C6 | C5 | 170.8° | 179.7° |
| N1 | C1 | C6 | H6 | 9.2° | 0.1° |
| C1 | N1 | C18 | C7 | 159.9° | 179.7° |
| C1 | N1 | C15 | C13 | 163.7° | 179.7° |
| C1 | N1 | C15 | H151 | 71.1° | 60.2° |
| C1 | N1 | C15 | H152 | 38.4° | 59.6° |
| C1 | N1 | C18 | H181 | 34.6° | 59.6° |
| C1 | N1 | C18 | H182 | 74.8° | 60.2° |
| C15 | N1 | C1 | C2 | 1.6° | 180.0° |
| N1 | C15 | C13 | C11 | 40.1° | 61.4° |
| C15 | N1 | C1 | C6 | 177.5° | 0.0° |
| C15 | N1 | C18 | C7 | 33.6° | 65.6° |
| N1 | C15 | C13 | H151 | 125.2° | 120.2° |
| N1 | C15 | C13 | H152 | 125.3° | 120.1° |
| N1 | C15 | C13 | H131 | 85.1° | 58.5° |
| N1 | C15 | C13 | H132 | 165.4° | 178.7° |
| N1 | C15 | H151 | H152 | 115.4° | 119.9° |
| C15 | N1 | C18 | H181 | 158.9° | 54.5° |
| C15 | N1 | C18 | H182 | 91.7° | 174.2° |
| C18 | N1 | C1 | C2 | 168.2° | 65.5° |
| N1 | C18 | C7 | C11 | 48.9° | 61.4° |
| C18 | N1 | C1 | C6 | 15.9° | 114.4° |
| N1 | C18 | C7 | H181 | 125.3° | 120.1° |
| N1 | C18 | C7 | H182 | 125.3° | 120.1° |
| N1 | C18 | C7 | H71 | 174.1° | 58.6° |
| N1 | C18 | C7 | H72 | 76.4° | 178.7° |
| C18 | N1 | C15 | C13 | 29.5° | 65.6° |
| C18 | N1 | C15 | H151 | 95.7° | 174.3° |
| C18 | N1 | C15 | H152 | 154.8° | 54.5° |
| N1 | C18 | H181 | H182 | 116.5° | 119.8° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 6.0° | 0.3° |
| C2 | C3 | C4 | S | 171.4° | 180.0° |
| C3 | C2 | C1 | C6 | 6.2° | 0.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H3 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 5.2° | 0.3° |
| C2 | C1 | C6 | H6 | 174.8° | 180.0° |
| H2 | C2 | C3 | C4 | 179.2° | 180.0° |
| H2 | C2 | C3 | H3 | 0.7° | 0.0° |
| H2 | C2 | C1 | C6 | 173.8° | 180.0° |
| C3 | C4 | C5 | S | 177.4° | 179.7° |
| C3 | C4 | C5 | C6 | 7.0° | 0.6° |
| C3 | C4 | C5 | H5 | 173.0° | 180.0° |
| C3 | C4 | S | O1 | 25.9° | 22.6° |
| C3 | C4 | S | O2 | 155.9° | 157.4° |
| C3 | C4 | S | N | 87.1° | 90.0° |
| H3 | C3 | C4 | C5 | 173.9° | 179.7° |
| H3 | C3 | C4 | S | 8.7° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C5 | C4 | S | O1 | 151.5° | 157.2° |
| C5 | C4 | S | O2 | 21.5° | 22.3° |
| C4 | C5 | C6 | C1 | 1.3° | 0.6° |
| C4 | C5 | C6 | H6 | 178.7° | 179.8° |
| C5 | C4 | S | N | 95.5° | 90.3° |
| S | C4 | C5 | C6 | 170.4° | 179.7° |
| S | C4 | C5 | H5 | 9.6° | 0.3° |
| C4 | S | N | C8 | 73.3° | 60.0° |
| C4 | S | O1 | O2 | 122.9° | 123.1° |
| C4 | S | O1 | N | 117.8° | 113.7° |
| C4 | S | O2 | N | 119.6° | 113.7° |
| C4 | S | N | HN | 161.5° | 120.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.7° |
| H5 | C5 | C6 | C1 | 178.8° | 180.0° |
| H5 | C5 | C6 | H6 | 1.2° | 0.3° |
| C23 | N7 | C27 | HN7 | 180.0° | 179.9° |
| N7 | C23 | C22 | C21 | 179.0° | 180.0° |
| N7 | C23 | C22 | C24 | 177.9° | 179.7° |
| N7 | C23 | C22 | H22 | 1.0° | 0.0° |
| N7 | C23 | C24 | C25 | 178.6° | 179.7° |
| N7 | C23 | C24 | C28 | 1.6° | 0.3° |
| C23 | N7 | C27 | C28 | 0.7° | 0.1° |
| C23 | N7 | C27 | H27 | 179.3° | 180.0° |
| N7 | C27 | C28 | C20 | 179.3° | 180.0° |
| C27 | N7 | C23 | C22 | 179.5° | 180.0° |
| C27 | N7 | C23 | C24 | 1.5° | 0.2° |
| N7 | C27 | C28 | C24 | 0.4° | 0.3° |
| N7 | C27 | C28 | H27 | 180.0° | 179.9° |
| HN7 | N7 | C23 | C22 | 0.5° | 0.0° |
| HN7 | N7 | C23 | C24 | 178.5° | 179.8° |
| HN7 | N7 | C27 | C28 | 179.3° | 180.0° |
| HN7 | N7 | C27 | H27 | 0.7° | 0.1° |
| N | C8 | C20 | C9 | 124.7° | 120.0° |
| N | C8 | C20 | H8 | 118.5° | 120.0° |
| N | C8 | C9 | H8 | 118.5° | 120.0° |
| C8 | N | S | O1 | 171.7° | 172.6° |
| C8 | N | S | O2 | 44.1° | 52.6° |
| C8 | N | S | HN | 125.2° | 180.0° |
| N | C8 | C20 | C28 | 170.0° | 60.0° |
| N | C8 | C20 | H201 | 64.7° | 60.0° |
| N | C8 | C20 | H202 | 44.8° | 180.0° |
| N | C8 | C9 | O3 | 36.7° | 150.0° |
| N | C8 | C9 | O4 | 144.7° | 30.0° |
| C20 | C8 | C9 | H8 | 117.4° | 120.1° |
| C20 | C8 | N | S | 144.7° | 120.0° |
| C20 | C8 | N | HN | 19.4° | 60.0° |
| C8 | C20 | C28 | H201 | 125.2° | 120.0° |
| C8 | C20 | C28 | H202 | 125.3° | 120.0° |
| C8 | C20 | H201 | H202 | 117.7° | 120.0° |
| C20 | C8 | C9 | O3 | 87.5° | 90.0° |
| C20 | C8 | C9 | O4 | 91.2° | 90.0° |
| C8 | C20 | C28 | C24 | 93.9° | 90.3° |
| C8 | C20 | C28 | C27 | 87.4° | 90.1° |
| C9 | C8 | N | S | 89.9° | 120.0° |
| C9 | C8 | N | HN | 144.8° | 60.0° |
| C9 | C8 | C20 | C28 | 45.4° | NaN° |
| C9 | C8 | C20 | H201 | 170.6° | 60.0° |
| C9 | C8 | C20 | H202 | 79.9° | 60.0° |
| C8 | C9 | O3 | O4 | 178.6° | 179.9° |
| C8 | C9 | O4 | HO4 | 180.0° | 180.0° |
| H8 | C8 | N | S | 27.1° | 0.0° |
| H8 | C8 | N | HN | 98.2° | 180.0° |
| H8 | C8 | C20 | C28 | 71.4° | 60.0° |
| H8 | C8 | C20 | H201 | 53.8° | 180.0° |
| H8 | C8 | C20 | H202 | 163.3° | 60.0° |
| H8 | C8 | C9 | O3 | 155.1° | 30.0° |
| H8 | C8 | C9 | O4 | 26.2° | 149.9° |
| C12 | C10 | C19 | H10 | 180.0° | 180.0° |
| C10 | C12 | C14 | H12 | 180.0° | 179.9° |
| C10 | C12 | C14 | C16 | 0.4° | 0.0° |
| C10 | C12 | C14 | H14 | 179.6° | 180.0° |
| C12 | C10 | C19 | C17 | 1.2° | 0.1° |
| C12 | C10 | C19 | H19 | 178.8° | 180.0° |
| C19 | C10 | C12 | C14 | 1.4° | 0.1° |
| C19 | C10 | C12 | H12 | 178.6° | 180.0° |
| C10 | C19 | C17 | C16 | 0.7° | 0.4° |
| C10 | C19 | C17 | H19 | 180.0° | 179.9° |
| C10 | C19 | C17 | H17 | 179.3° | 179.9° |
| H10 | C10 | C12 | C14 | 178.6° | 179.9° |
| H10 | C10 | C12 | H12 | 1.4° | 0.0° |
| H10 | C10 | C19 | C17 | 178.8° | 179.8° |
| H10 | C10 | C19 | H19 | 1.2° | 0.0° |
| C7 | C11 | C13 | C16 | 126.6° | 119.9° |
| C7 | C11 | C13 | H11 | 117.7° | 119.9° |
| C7 | C11 | C16 | H11 | 117.4° | 120.3° |
| C11 | C7 | C18 | H71 | 125.3° | 119.9° |
| C11 | C7 | C18 | H72 | 125.3° | 119.9° |
| C11 | C7 | H71 | H72 | 117.8° | 120.1° |
| C7 | C11 | C13 | C15 | 56.5° | 55.6° |
| C7 | C11 | C13 | H131 | 68.7° | 64.3° |
| C7 | C11 | C13 | H132 | 178.2° | 175.5° |
| C11 | C7 | C18 | H181 | 174.1° | 58.7° |
| C11 | C7 | C18 | H182 | 76.5° | 178.5° |
| C7 | C11 | C16 | C14 | 105.6° | 120.5° |
| C7 | C11 | C16 | C17 | 77.4° | 59.1° |
| C13 | C11 | C16 | H11 | 117.0° | 120.2° |
| C13 | C11 | C7 | C18 | 61.4° | 55.6° |
| C13 | C11 | C7 | H71 | 173.4° | 64.4° |
| C13 | C11 | C7 | H72 | 63.9° | 175.5° |
| C11 | C13 | C15 | H131 | 125.2° | 119.9° |
| C11 | C13 | C15 | H132 | 125.2° | 119.9° |
| C11 | C13 | H131 | H132 | 117.5° | 120.1° |
| C11 | C13 | C15 | H151 | 85.1° | 178.5° |
| C11 | C13 | C15 | H152 | 165.4° | 58.8° |
| C13 | C11 | C16 | C14 | 19.9° | 120.0° |
| C13 | C11 | C16 | C17 | 157.0° | 60.3° |
| C11 | C16 | C14 | C12 | 174.7° | 180.0° |
| C16 | C11 | C7 | C18 | 171.7° | 175.4° |
| C16 | C11 | C7 | H71 | 46.5° | 55.5° |
| C16 | C11 | C7 | H72 | 63.0° | 64.6° |
| C16 | C11 | C13 | C15 | 176.9° | 175.4° |
| C16 | C11 | C13 | H131 | 57.9° | 55.5° |
| C16 | C11 | C13 | H132 | 51.6° | 64.6° |
| C11 | C16 | C14 | C17 | 177.0° | 179.7° |
| C11 | C16 | C14 | H14 | 5.3° | 0.0° |
| C11 | C16 | C17 | C19 | 174.7° | 179.8° |
| C11 | C16 | C17 | H17 | 5.4° | 0.3° |
| H11 | C11 | C7 | C18 | 56.0° | 64.3° |
| H11 | C11 | C7 | H71 | 69.3° | 175.8° |
| H11 | C11 | C7 | H72 | 178.8° | 55.6° |
| H11 | C11 | C13 | C15 | 61.1° | 64.3° |
| H11 | C11 | C13 | H131 | 173.6° | 175.8° |
| H11 | C11 | C13 | H132 | 64.1° | 55.6° |
| H11 | C11 | C16 | C14 | 137.0° | 0.3° |
| H11 | C11 | C16 | C17 | 40.0° | 179.4° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 2.3° | 0.3° |
| H12 | C12 | C14 | C16 | 179.6° | 179.9° |
| H12 | C12 | C14 | H14 | 0.4° | 0.1° |
| O1 | S | O2 | N | 117.8° | 123.1° |
| O1 | S | N | HN | 46.5° | 7.4° |
| O2 | S | N | HN | 81.1° | 127.4° |
| C18 | C7 | H71 | H72 | 117.8° | 120.2° |
| C7 | C18 | H181 | H182 | 116.4° | 119.8° |
| H71 | C7 | C18 | H181 | 60.6° | 178.7° |
| H71 | C7 | C18 | H182 | 48.8° | 61.6° |
| H72 | C7 | C18 | H181 | 48.8° | 61.2° |
| H72 | C7 | C18 | H182 | 158.2° | 58.6° |
| C15 | C13 | H131 | H132 | 117.5° | 120.2° |
| C13 | C15 | H151 | H152 | 115.4° | 119.8° |
| H131 | C13 | C15 | H151 | 149.7° | 61.6° |
| H131 | C13 | C15 | H152 | 40.2° | 178.6° |
| H132 | C13 | C15 | H151 | 40.1° | 58.6° |
| H132 | C13 | C15 | H152 | 69.4° | 61.2° |
| C14 | C16 | C17 | C19 | 2.4° | 0.5° |
| C14 | C16 | C17 | H17 | 177.5° | 180.0° |
| H14 | C14 | C16 | C17 | 177.7° | 179.7° |
| C16 | C17 | C19 | H17 | 179.9° | 179.5° |
| C16 | C17 | C19 | H19 | 179.3° | 179.7° |
| H17 | C17 | C19 | H19 | 0.7° | 0.2° |
| C28 | C20 | H201 | H202 | 117.6° | 120.0° |
| C20 | C28 | C24 | C23 | 179.8° | 179.9° |
| C20 | C28 | C24 | C25 | 3.4° | 0.8° |
| C20 | C28 | C24 | C27 | 178.9° | 179.7° |
| C20 | C28 | C27 | H27 | 0.8° | 0.1° |
| H201 | C20 | C28 | C24 | 140.9° | 149.7° |
| H201 | C20 | C28 | C27 | 37.8° | 29.9° |
| H202 | C20 | C28 | C24 | 31.4° | 29.7° |
| H202 | C20 | C28 | C27 | 147.3° | 149.9° |
| O3 | C9 | O4 | HO4 | 1.4° | 0.1° |
| C22 | C21 | C26 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 3.1° | 0.3° |
| C22 | C21 | C26 | C25 | 1.5° | 0.0° |
| C22 | C21 | C26 | H26 | 178.5° | 180.0° |
| C26 | C21 | C22 | C23 | 2.4° | 0.0° |
| C26 | C21 | C22 | H22 | 177.5° | 180.0° |
| C21 | C26 | C25 | C24 | 1.4° | 0.3° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | H25 | 178.7° | 180.0° |
| H21 | C21 | C22 | C23 | 177.5° | 180.0° |
| H21 | C21 | C22 | H22 | 2.5° | 0.0° |
| H21 | C21 | C26 | C25 | 178.5° | 179.9° |
| H21 | C21 | C26 | H26 | 1.5° | 0.1° |
| C22 | C23 | C24 | C25 | 3.0° | 0.5° |
| C22 | C23 | C24 | C28 | 180.0° | 179.8° |
| H22 | C22 | C23 | C24 | 176.8° | 179.8° |
| C23 | C24 | C25 | C28 | 176.0° | 179.1° |
| C23 | C24 | C25 | C26 | 2.1° | 0.6° |
| C23 | C24 | C25 | H25 | 177.9° | 179.8° |
| C23 | C24 | C28 | C27 | 1.2° | 0.4° |
| C24 | C25 | C26 | H25 | 180.0° | 179.7° |
| C24 | C25 | C26 | H26 | 178.7° | 179.7° |
| C25 | C24 | C28 | C27 | 177.7° | 179.6° |
| C28 | C24 | C25 | C26 | 178.1° | 179.6° |
| C28 | C24 | C25 | H25 | 1.9° | 0.7° |
| C24 | C28 | C27 | H27 | 179.7° | 179.8° |
| H25 | C25 | C26 | H26 | 1.3° | 0.0° |
