2CS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| C2 | C7 | sing | 1.53Å | 1.56Å | |
| C2 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C3 | O4 | doub | 1.21Å | 1.23Å | |
| C3 | O5 | sing | 1.34Å | 1.22Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C36 | doub | 1.35Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C10 | N9 | sing | 1.46Å | 1.44Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | CL17 | sing | 1.74Å | 1.68Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C36 | sing | 1.47Å | 1.40Å | Aromatic |
| C21 | C18 | doub | 1.41Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.44Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.37Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | doub | 1.41Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.42Å | 1.45Å | Aromatic |
| C30 | N35 | sing | 1.34Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.36Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | doub | 1.39Å | 1.43Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.36Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C29 | doub | 1.40Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.41Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N35 | C26 | doub | 1.31Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.47Å | |
| C25 | O24 | sing | 1.43Å | 1.36Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O24 | C23 | sing | 1.36Å | 1.27Å | |
| C18 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C36 | S37 | sing | 1.76Å | 1.75Å | |
| S37 | C38 | sing | 1.81Å | 1.82Å | |
| C38 | C40 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12A | 109.5° | 109.5° |
| C2 | C1 | H13A | 109.5° | 109.5° |
| C1 | C2 | C7 | 109.1° | 109.4° |
| C1 | C2 | C6 | 105.2° | 109.5° |
| C1 | C2 | C3 | 110.7° | 109.5° |
| H11 | C1 | H12A | 109.5° | 109.4° |
| H11 | C1 | H13A | 109.4° | 109.5° |
| H12A | C1 | H13A | 109.5° | 109.5° |
| C7 | C2 | C6 | 111.9° | 109.4° |
| C7 | C2 | C3 | 111.4° | 109.5° |
| C2 | C7 | C8 | 121.9° | 109.5° |
| C2 | C7 | H71 | 105.5° | 109.5° |
| C2 | C7 | H72 | 102.6° | 109.5° |
| C6 | C2 | C3 | 108.2° | 109.5° |
| C2 | C6 | H61 | 109.5° | 109.5° |
| C2 | C6 | H62 | 109.4° | 109.5° |
| C2 | C6 | H63 | 109.5° | 109.5° |
| C2 | C3 | O4 | 123.8° | 120.0° |
| C2 | C3 | O5 | 125.1° | 120.0° |
| O4 | C3 | O5 | 111.1° | 120.0° |
| C3 | O5 | HO5 | 109.5° | 117.0° |
| C8 | C7 | H71 | 105.5° | 109.5° |
| C8 | C7 | H72 | 102.6° | 109.5° |
| C7 | C8 | C36 | 122.4° | 125.2° |
| C7 | C8 | N9 | 127.4° | 125.1° |
| H71 | C7 | H72 | 119.9° | 109.5° |
| C36 | C8 | N9 | 110.2° | 109.7° |
| C8 | C36 | C21 | 105.0° | 107.0° |
| C8 | C36 | S37 | 127.5° | 126.5° |
| C8 | N9 | C10 | 126.9° | 125.1° |
| C8 | N9 | C18 | 108.8° | 109.8° |
| C11 | C10 | N9 | 110.4° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.4° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C11 | C12 | 117.9° | 120.0° |
| C10 | C11 | C14 | 119.1° | 120.0° |
| N9 | C10 | H101 | 109.2° | 109.5° |
| N9 | C10 | H102 | 108.9° | 109.5° |
| C10 | N9 | C18 | 124.3° | 125.1° |
| H101 | C10 | H102 | 110.2° | 109.5° |
| C12 | C11 | C14 | 123.1° | 120.0° |
| C11 | C12 | C13 | 118.8° | 120.0° |
| C11 | C12 | H12 | 120.6° | 120.0° |
| C11 | C14 | C15 | 118.3° | 120.0° |
| C11 | C14 | H14 | 120.8° | 120.0° |
| C13 | C12 | H12 | 120.6° | 120.0° |
| C12 | C13 | C16 | 117.7° | 120.0° |
| C12 | C13 | H13 | 121.1° | 120.0° |
| C16 | C13 | H13 | 121.2° | 120.0° |
| C13 | C16 | C15 | 123.7° | 119.9° |
| C13 | C16 | CL17 | 118.6° | 120.0° |
| C15 | C14 | H14 | 120.9° | 120.0° |
| C14 | C15 | C16 | 118.4° | 120.0° |
| C14 | C15 | H15 | 120.8° | 120.0° |
| C16 | C15 | H15 | 120.8° | 120.0° |
| C15 | C16 | CL17 | 117.7° | 120.1° |
| C20 | C19 | C18 | 115.9° | 120.0° |
| C20 | C19 | H19 | 122.0° | 120.0° |
| C19 | C20 | C23 | 121.7° | 120.6° |
| C19 | C20 | H20 | 119.2° | 119.7° |
| C18 | C19 | H19 | 122.0° | 120.0° |
| C19 | C18 | C21 | 123.7° | 119.5° |
| C19 | C18 | N9 | 128.4° | 133.2° |
| C23 | C20 | H20 | 119.1° | 119.7° |
| C20 | C23 | C22 | 122.2° | 120.3° |
| C20 | C23 | O24 | 119.3° | 119.9° |
| C22 | C21 | C36 | 131.4° | 133.8° |
| C22 | C21 | C18 | 120.6° | 120.0° |
| C21 | C22 | C23 | 115.8° | 119.6° |
| C21 | C22 | H22 | 122.1° | 120.2° |
| C36 | C21 | C18 | 108.1° | 106.2° |
| C21 | C36 | S37 | 127.5° | 126.5° |
| C21 | C18 | N9 | 107.9° | 107.3° |
| C23 | C22 | H22 | 122.1° | 120.1° |
| C22 | C23 | O24 | 118.4° | 119.9° |
| C28 | C27 | C26 | 118.1° | 120.0° |
| C28 | C27 | H27 | 120.9° | 120.0° |
| C27 | C28 | C29 | 119.9° | 118.1° |
| C27 | C28 | H28 | 120.1° | 120.9° |
| C26 | C27 | H27 | 121.0° | 120.1° |
| C27 | C26 | N35 | 121.7° | 121.8° |
| C27 | C26 | C25 | 116.3° | 119.1° |
| C31 | C30 | C29 | 121.4° | 119.1° |
| C31 | C30 | N35 | 120.5° | 121.0° |
| C30 | C31 | C32 | 117.0° | 119.8° |
| C30 | C31 | H31 | 121.5° | 120.1° |
| C29 | C30 | N35 | 118.1° | 119.9° |
| C30 | C29 | C34 | 120.7° | 119.7° |
| C30 | C29 | C28 | 120.0° | 119.0° |
| C30 | N35 | C26 | 122.3° | 121.3° |
| C32 | C31 | H31 | 121.5° | 120.1° |
| C31 | C32 | C33 | 122.0° | 121.0° |
| C31 | C32 | H32 | 119.0° | 119.5° |
| C33 | C32 | H32 | 119.0° | 119.5° |
| C32 | C33 | C34 | 121.2° | 120.9° |
| C32 | C33 | H33 | 119.4° | 119.5° |
| C34 | C33 | H33 | 119.4° | 119.6° |
| C33 | C34 | C29 | 117.7° | 119.6° |
| C33 | C34 | H34 | 121.1° | 120.2° |
| C29 | C34 | H34 | 121.1° | 120.2° |
| C34 | C29 | C28 | 119.4° | 121.4° |
| C29 | C28 | H28 | 120.0° | 121.0° |
| N35 | C26 | C25 | 122.0° | 119.1° |
| C26 | C25 | O24 | 119.9° | 109.4° |
| C26 | C25 | H251 | 106.1° | 109.5° |
| C26 | C25 | H252 | 103.7° | 109.5° |
| O24 | C25 | H251 | 106.1° | 109.4° |
| O24 | C25 | H252 | 103.7° | 109.5° |
| C25 | O24 | C23 | 127.6° | 117.0° |
| H251 | C25 | H252 | 118.1° | 109.5° |
| C36 | S37 | C38 | 105.0° | 103.0° |
| S37 | C38 | C40 | 113.9° | 109.5° |
| S37 | C38 | C39 | 106.0° | 109.4° |
| S37 | C38 | C41 | 114.1° | 109.4° |
| C40 | C38 | C39 | 106.6° | 109.5° |
| C40 | C38 | C41 | 109.0° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.5° | 109.5° |
| C38 | C40 | H403 | 109.4° | 109.5° |
| C39 | C38 | C41 | 106.7° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.4° | 109.4° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C38 | C41 | H411 | 109.5° | 109.5° |
| C38 | C41 | H412 | 109.5° | 109.4° |
| C38 | C41 | H413 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.4° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H391 | C39 | H393 | 109.4° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.4° | 109.4° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.4° |
| H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12A | 120.0° | 120.0° |
| C2 | C1 | H11 | H13A | 120.0° | 120.0° |
| C2 | C1 | H12A | H13A | 120.0° | 120.0° |
| C1 | C2 | C7 | C6 | 116.1° | 120.0° |
| C1 | C2 | C7 | C3 | 122.6° | 120.0° |
| C1 | C2 | C6 | C3 | 118.4° | 120.0° |
| C1 | C2 | C3 | O4 | 144.8° | 120.0° |
| C1 | C2 | C3 | O5 | 35.6° | 60.0° |
| C1 | C2 | C7 | C8 | 168.9° | 66.7° |
| C1 | C2 | C7 | H71 | 49.0° | 173.4° |
| C1 | C2 | C7 | H72 | 77.3° | 53.4° |
| C1 | C2 | C6 | H61 | 84.2° | 60.0° |
| C1 | C2 | C6 | H62 | 155.8° | 180.0° |
| C1 | C2 | C6 | H63 | 35.8° | 59.9° |
| H11 | C1 | H12A | H13A | 120.0° | 120.0° |
| H11 | C1 | C2 | C7 | 7.3° | 52.4° |
| H11 | C1 | C2 | C6 | 113.0° | 172.4° |
| H11 | C1 | C2 | C3 | 130.3° | 67.6° |
| H12A | C1 | C2 | C7 | 127.3° | 172.4° |
| H12A | C1 | C2 | C6 | 7.0° | 67.7° |
| H12A | C1 | C2 | C3 | 109.7° | 52.4° |
| H13A | C1 | C2 | C7 | 112.7° | 67.6° |
| H13A | C1 | C2 | C6 | 127.1° | 52.3° |
| H13A | C1 | C2 | C3 | 10.3° | 172.4° |
| C7 | C2 | C6 | C3 | 123.2° | 120.0° |
| C7 | C2 | C3 | O4 | 23.1° | 0.0° |
| C7 | C2 | C3 | O5 | 157.2° | 180.0° |
| C2 | C7 | C8 | H71 | 120.0° | 120.0° |
| C2 | C7 | C8 | H72 | 113.7° | 120.1° |
| C2 | C7 | H71 | H72 | 114.9° | 120.0° |
| C2 | C7 | C8 | C36 | 109.5° | 93.8° |
| C2 | C7 | C8 | N9 | 70.2° | 86.6° |
| C7 | C2 | C6 | H61 | 34.2° | 180.0° |
| C7 | C2 | C6 | H62 | 85.8° | 60.0° |
| C7 | C2 | C6 | H63 | 154.2° | 60.0° |
| C6 | C2 | C3 | O4 | 100.4° | 120.0° |
| C6 | C2 | C3 | O5 | 79.3° | 60.0° |
| C6 | C2 | C7 | C8 | 52.9° | 53.3° |
| C6 | C2 | C7 | H71 | 67.1° | 66.7° |
| C6 | C2 | C7 | H72 | 166.6° | 173.3° |
| C2 | C6 | H61 | H62 | 120.0° | 120.0° |
| C2 | C6 | H61 | H63 | 120.0° | 120.0° |
| C2 | C6 | H62 | H63 | 120.0° | 120.1° |
| C2 | C3 | O4 | O5 | 179.7° | 180.0° |
| C2 | C3 | O5 | HO5 | 179.7° | 180.0° |
| C3 | C2 | C7 | C8 | 68.5° | 173.3° |
| C3 | C2 | C7 | H71 | 171.6° | 53.4° |
| C3 | C2 | C7 | H72 | 45.3° | 66.6° |
| C3 | C2 | C6 | H61 | 157.4° | 60.0° |
| C3 | C2 | C6 | H62 | 37.4° | 60.0° |
| C3 | C2 | C6 | H63 | 82.6° | 180.0° |
| O4 | C3 | O5 | HO5 | 0.0° | 0.0° |
| C8 | C7 | H71 | H72 | 114.8° | 120.0° |
| C7 | C8 | C36 | N9 | 179.7° | 179.7° |
| C7 | C8 | N9 | C10 | 1.1° | 0.1° |
| C7 | C8 | C36 | C21 | 179.8° | 180.0° |
| C7 | C8 | N9 | C18 | 179.9° | 180.0° |
| C7 | C8 | C36 | S37 | 0.6° | 0.1° |
| H71 | C7 | C8 | C36 | 130.5° | 26.2° |
| H71 | C7 | C8 | N9 | 49.8° | 153.4° |
| H72 | C7 | C8 | C36 | 4.2° | 146.2° |
| H72 | C7 | C8 | N9 | 176.1° | 33.4° |
| C36 | C8 | N9 | C10 | 179.2° | 179.7° |
| C8 | C36 | C21 | C22 | 179.9° | 180.0° |
| C8 | C36 | C21 | S37 | 179.6° | 179.9° |
| C8 | C36 | C21 | C18 | 0.0° | 0.2° |
| C36 | C8 | N9 | C18 | 0.2° | 0.4° |
| C8 | C36 | S37 | C38 | 78.1° | 95.1° |
| C8 | N9 | C10 | C11 | 43.6° | 146.7° |
| C8 | N9 | C10 | C18 | 178.9° | 179.9° |
| C8 | N9 | C10 | H101 | 76.4° | 26.7° |
| C8 | N9 | C10 | H102 | 163.2° | 93.3° |
| C8 | N9 | C18 | C19 | 179.7° | 180.0° |
| N9 | C8 | C36 | C21 | 0.1° | 0.3° |
| C8 | N9 | C18 | C21 | 0.1° | 0.2° |
| N9 | C8 | C36 | S37 | 179.7° | 179.7° |
| C11 | C10 | N9 | H101 | 120.0° | 120.0° |
| C11 | C10 | N9 | H102 | 119.6° | 120.0° |
| C11 | C10 | H101 | H102 | 119.6° | 120.0° |
| C10 | C11 | C12 | C14 | 179.1° | 179.7° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C12 | H12 | 0.5° | 0.1° |
| C10 | C11 | C14 | C15 | 179.5° | 180.0° |
| C10 | C11 | C14 | H14 | 0.5° | 0.0° |
| C11 | C10 | N9 | C18 | 135.3° | 33.2° |
| N9 | C10 | H101 | H102 | 119.6° | 120.0° |
| N9 | C10 | C11 | C12 | 37.1° | 116.4° |
| N9 | C10 | C11 | C14 | 142.0° | 63.9° |
| C10 | N9 | C18 | C19 | 0.7° | 0.1° |
| C10 | N9 | C18 | C21 | 179.2° | 179.9° |
| H101 | C10 | C11 | C12 | 157.1° | 123.6° |
| H101 | C10 | C11 | C14 | 22.0° | 56.1° |
| H101 | C10 | N9 | C18 | 104.7° | 153.2° |
| H102 | C10 | C11 | C12 | 82.5° | 3.6° |
| H102 | C10 | C11 | C14 | 98.3° | 176.1° |
| H102 | C10 | N9 | C18 | 15.7° | 86.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C16 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| C12 | C11 | C14 | C15 | 0.4° | 0.3° |
| C12 | C11 | C14 | H14 | 179.6° | 179.7° |
| C14 | C11 | C12 | C13 | 0.4° | 0.3° |
| C14 | C11 | C12 | H12 | 179.6° | 179.8° |
| C11 | C14 | C15 | H14 | 180.0° | 180.0° |
| C11 | C14 | C15 | C16 | 0.2° | 0.0° |
| C11 | C14 | C15 | H15 | 179.8° | 179.9° |
| C12 | C13 | C16 | H13 | 180.0° | 180.0° |
| C12 | C13 | C16 | C15 | 0.1° | 0.2° |
| C12 | C13 | C16 | CL17 | 179.7° | 180.0° |
| H12 | C12 | C13 | C16 | 179.8° | 180.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| C13 | C16 | C15 | C14 | 0.1° | 0.2° |
| C13 | C16 | C15 | CL17 | 179.8° | 179.8° |
| C13 | C16 | C15 | H15 | 179.9° | 179.7° |
| H13 | C13 | C16 | C15 | 179.9° | 179.8° |
| H13 | C13 | C16 | CL17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | CL17 | 179.7° | 180.0° |
| H14 | C14 | C15 | C16 | 179.7° | 180.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.0° |
| H15 | C15 | C16 | CL17 | 0.3° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.3° |
| C19 | C20 | C23 | H20 | 180.0° | 179.4° |
| C20 | C19 | C18 | C21 | 0.4° | 0.5° |
| C19 | C20 | C23 | C22 | 0.7° | 0.4° |
| C19 | C20 | C23 | O24 | 179.1° | 179.6° |
| C20 | C19 | C18 | N9 | 179.7° | 179.8° |
| C18 | C19 | C20 | C23 | 0.7° | 0.6° |
| C18 | C19 | C20 | H20 | 179.3° | 180.0° |
| C19 | C18 | C21 | C22 | 0.1° | 0.1° |
| C19 | C18 | C21 | C36 | 179.8° | 179.8° |
| C19 | C18 | C21 | N9 | 179.9° | 179.8° |
| H19 | C19 | C20 | C23 | 179.3° | 180.0° |
| H19 | C19 | C20 | H20 | 0.7° | 0.7° |
| H19 | C19 | C18 | C21 | 179.5° | 179.8° |
| H19 | C19 | C18 | N9 | 0.3° | 0.5° |
| C20 | C23 | C22 | C21 | 0.4° | 0.1° |
| C20 | C23 | C22 | O24 | 179.8° | 179.9° |
| C20 | C23 | C22 | H22 | 179.7° | 180.0° |
| C20 | C23 | O24 | C25 | 7.7° | 0.0° |
| H20 | C20 | C23 | C22 | 179.3° | 179.7° |
| H20 | C20 | C23 | O24 | 0.9° | 0.2° |
| C22 | C21 | C36 | C18 | 179.9° | 179.9° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | O24 | 179.4° | 180.0° |
| C22 | C21 | C18 | N9 | 180.0° | 179.9° |
| C22 | C21 | C36 | S37 | 0.4° | 0.0° |
| C36 | C21 | C22 | C23 | 179.8° | 180.0° |
| C36 | C21 | C22 | H22 | 0.1° | 0.0° |
| C36 | C21 | C18 | N9 | 0.1° | 0.0° |
| C21 | C36 | S37 | C38 | 101.4° | 85.0° |
| C18 | C21 | C22 | C23 | 0.1° | 0.2° |
| C18 | C21 | C22 | H22 | 179.9° | 179.8° |
| C18 | C21 | C36 | S37 | 179.6° | 179.9° |
| C22 | C23 | O24 | C25 | 172.5° | 179.9° |
| H22 | C22 | C23 | O24 | 0.6° | 0.0° |
| C28 | C27 | C26 | H27 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | C34 | 179.9° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | N35 | 0.4° | 0.0° |
| C28 | C27 | C26 | C25 | 179.4° | 179.9° |
| C27 | C26 | N35 | C30 | 0.4° | 0.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C26 | N35 | C25 | 178.9° | 180.0° |
| C27 | C26 | C25 | O24 | 169.5° | 0.1° |
| C27 | C26 | C25 | H251 | 49.5° | 120.0° |
| C27 | C26 | C25 | H252 | 75.6° | 120.0° |
| H27 | C27 | C28 | C29 | 179.8° | 179.7° |
| H27 | C27 | C28 | H28 | 0.2° | 0.4° |
| H27 | C27 | C26 | N35 | 179.6° | 179.7° |
| H27 | C27 | C26 | C25 | 0.6° | 0.2° |
| C31 | C30 | C29 | N35 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.0° | 0.0° |
| C30 | C31 | C32 | H32 | 180.0° | 180.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.0° |
| C31 | C30 | C29 | C28 | 180.0° | 180.0° |
| C31 | C30 | N35 | C26 | 179.8° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H31 | 180.0° | 179.9° |
| C30 | C29 | C34 | C33 | 0.1° | 0.1° |
| C30 | C29 | C34 | C28 | 179.9° | 180.0° |
| C30 | C29 | C34 | H34 | 179.9° | 180.0° |
| C30 | C29 | C28 | H28 | 180.0° | 179.9° |
| C29 | C30 | N35 | C26 | 0.2° | 0.0° |
| N35 | C30 | C31 | C32 | 179.9° | 180.0° |
| N35 | C30 | C31 | H31 | 0.1° | 0.1° |
| N35 | C30 | C29 | C34 | 179.9° | 179.9° |
| N35 | C30 | C29 | C28 | 0.0° | 0.0° |
| C30 | N35 | C26 | C25 | 179.3° | 179.9° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| H31 | C31 | C32 | C33 | 180.0° | 180.0° |
| H31 | C31 | C32 | H32 | 0.0° | 0.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C29 | 0.1° | 0.1° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| H32 | C32 | C33 | C34 | 180.0° | 180.0° |
| H32 | C32 | C33 | H33 | 0.0° | 0.0° |
| C33 | C34 | C29 | H34 | 180.0° | 179.9° |
| C33 | C34 | C29 | C28 | 180.0° | 180.0° |
| H33 | C33 | C34 | C29 | 180.0° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| C34 | C29 | C28 | H28 | 0.1° | 0.0° |
| H34 | C34 | C29 | C28 | 0.0° | 0.1° |
| N35 | C26 | C25 | O24 | 9.5° | 180.0° |
| N35 | C26 | C25 | H251 | 129.5° | 60.1° |
| N35 | C26 | C25 | H252 | 105.5° | 60.0° |
| C26 | C25 | O24 | H251 | 120.0° | 119.9° |
| C26 | C25 | O24 | H252 | 114.9° | 120.0° |
| C26 | C25 | H251 | H252 | 115.7° | 120.1° |
| C26 | C25 | O24 | C23 | 55.6° | 180.0° |
| O24 | C25 | H251 | H252 | 115.7° | 120.0° |
| H251 | C25 | O24 | C23 | 64.4° | 60.0° |
| H252 | C25 | O24 | C23 | 170.5° | 60.0° |
| C36 | S37 | C38 | C40 | 1.1° | 64.8° |
| C36 | S37 | C38 | C39 | 115.8° | 55.2° |
| C36 | S37 | C38 | C41 | 127.1° | 175.2° |
| S37 | C38 | C40 | C39 | 116.5° | 120.0° |
| S37 | C38 | C40 | C41 | 128.7° | 120.0° |
| S37 | C38 | C39 | C41 | 121.9° | 119.9° |
| S37 | C38 | C41 | H411 | 174.4° | 60.0° |
| S37 | C38 | C41 | H412 | 65.6° | 180.0° |
| S37 | C38 | C41 | H413 | 54.4° | 60.1° |
| S37 | C38 | C39 | H391 | 2.3° | 65.1° |
| S37 | C38 | C39 | H392 | 122.3° | 175.0° |
| S37 | C38 | C39 | H393 | 117.7° | 55.0° |
| S37 | C38 | C40 | H401 | 159.0° | 60.1° |
| S37 | C38 | C40 | H402 | 38.9° | 180.0° |
| S37 | C38 | C40 | H403 | 81.1° | 60.0° |
| C40 | C38 | C39 | C41 | 116.4° | 120.1° |
| C40 | C38 | C41 | H411 | 57.0° | 180.0° |
| C40 | C38 | C41 | H412 | 63.0° | 60.0° |
| C40 | C38 | C41 | H413 | 177.0° | 59.9° |
| C40 | C38 | C39 | H391 | 119.4° | 54.9° |
| C40 | C38 | C39 | H392 | 0.6° | 65.1° |
| C40 | C38 | C39 | H393 | 120.6° | 175.0° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.1° |
| C38 | C40 | H402 | H403 | 120.0° | 120.0° |
| C39 | C38 | C41 | H411 | 57.7° | 59.9° |
| C39 | C38 | C41 | H412 | 177.7° | 60.0° |
| C39 | C38 | C41 | H413 | 62.3° | 180.0° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.1° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C39 | C38 | C40 | H401 | 42.4° | 180.0° |
| C39 | C38 | C40 | H402 | 77.6° | 60.0° |
| C39 | C38 | C40 | H403 | 162.4° | 60.0° |
| C38 | C41 | H411 | H412 | 120.0° | 120.0° |
| C38 | C41 | H411 | H413 | 120.0° | 120.0° |
| C38 | C41 | H412 | H413 | 120.0° | 119.9° |
| C41 | C38 | C39 | H391 | 124.2° | 175.0° |
| C41 | C38 | C39 | H392 | 115.7° | 55.0° |
| C41 | C38 | C39 | H393 | 4.3° | 65.0° |
| C41 | C38 | C40 | H401 | 72.4° | 59.9° |
| C41 | C38 | C40 | H402 | 167.6° | 60.0° |
| C41 | C38 | C40 | H403 | 47.6° | 180.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
