E4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N2 | sing | 1.46Å | 1.46Å | |
| S1 | C11 | sing | 1.81Å | 1.81Å | |
| S1 | C12 | sing | 1.75Å | 1.76Å | |
| C11 | C9 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | doub | 1.41Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C20 | O | sing | 1.35Å | 1.37Å | |
| CL | C29 | sing | 1.74Å | 1.73Å | |
| C5 | S | sing | 1.81Å | 1.81Å | |
| C5 | C3 | sing | 1.51Å | 1.49Å | |
| S | C6 | sing | 1.81Å | 1.82Å | |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.36Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| O | C22 | sing | 1.43Å | 1.44Å | |
| C3 | N | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C30 | C2 | sing | 1.48Å | 1.50Å | |
| C30 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.41Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.42Å | 1.43Å | Aromatic |
| C31 | N4 | sing | 1.37Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.35Å | 1.40Å | Aromatic |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C25 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| N4 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C34 | sing | 1.46Å | 1.46Å | |
| C32 | C33 | sing | 1.47Å | 1.51Å | |
| O2 | C33 | doub | 1.22Å | 1.31Å | |
| C33 | O1 | sing | 1.35Å | 1.24Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C4 | H30 | sing | 1.09Å | 1.10Å | |
| C4 | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å | |
| C | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N2 | C9 | 128.5° | 126.1° |
| C10 | N2 | N3 | 118.6° | 126.1° |
| N2 | C10 | H2 | 109.5° | 109.4° |
| N2 | C10 | H3 | 109.4° | 109.5° |
| N2 | C10 | H4 | 109.5° | 109.5° |
| C11 | S1 | C12 | 103.8° | 102.9° |
| S1 | C11 | C9 | 119.1° | 109.0° |
| S1 | C11 | H5 | 107.0° | 109.5° |
| S1 | C11 | H6 | 107.0° | 109.6° |
| S1 | C12 | C13 | 123.1° | 119.5° |
| S1 | C12 | C21 | 116.4° | 119.7° |
| C11 | C9 | N2 | 127.7° | 126.2° |
| C11 | C9 | C8 | 127.2° | 126.0° |
| C9 | C11 | H5 | 107.0° | 109.5° |
| C9 | C11 | H6 | 107.0° | 109.6° |
| C12 | C13 | C14 | 120.9° | 119.7° |
| C13 | C12 | C21 | 120.4° | 120.7° |
| C12 | C13 | H7 | 119.5° | 120.1° |
| C13 | C14 | C15 | 122.0° | 121.2° |
| C13 | C14 | C19 | 119.1° | 119.3° |
| C14 | C13 | H7 | 119.5° | 120.1° |
| C14 | C15 | C16 | 120.8° | 119.5° |
| C15 | C14 | C19 | 118.9° | 119.5° |
| C14 | C15 | H8 | 119.6° | 120.3° |
| C15 | C16 | C17 | 120.7° | 121.1° |
| C16 | C15 | H8 | 119.6° | 120.2° |
| C15 | C16 | H9 | 119.6° | 119.4° |
| C9 | N2 | N3 | 112.8° | 107.8° |
| N2 | C9 | C8 | 105.1° | 107.8° |
| N2 | N3 | C7 | 104.4° | 108.2° |
| C12 | C21 | C20 | 120.6° | 120.8° |
| C12 | C21 | H10 | 119.7° | 119.6° |
| C9 | C8 | C7 | 106.7° | 107.9° |
| C9 | C8 | H1 | 126.6° | 126.0° |
| C14 | C19 | C20 | 118.0° | 119.7° |
| C14 | C19 | C18 | 118.1° | 119.2° |
| C16 | C17 | C18 | 120.7° | 120.9° |
| C17 | C16 | H9 | 119.7° | 119.5° |
| C16 | C17 | H24 | 119.6° | 119.6° |
| N3 | C7 | C8 | 110.9° | 108.2° |
| N3 | C7 | C6 | 124.7° | 126.1° |
| C8 | C7 | C6 | 124.4° | 125.7° |
| C7 | C8 | H1 | 126.7° | 126.1° |
| C21 | C20 | C19 | 120.7° | 119.6° |
| C21 | C20 | O | 123.7° | 120.8° |
| C20 | C21 | H10 | 119.7° | 119.5° |
| C20 | C19 | C18 | 123.8° | 121.1° |
| C19 | C20 | O | 115.5° | 119.6° |
| C19 | C18 | C17 | 120.9° | 119.8° |
| C19 | C18 | H23 | 119.6° | 120.1° |
| C7 | C6 | S | 113.6° | 109.5° |
| C7 | C6 | H25 | 108.4° | 109.5° |
| C7 | C6 | H26 | 108.5° | 109.4° |
| C17 | C18 | H23 | 119.6° | 120.1° |
| C18 | C17 | H24 | 119.6° | 119.6° |
| C20 | O | C22 | 117.4° | 118.5° |
| CL | C29 | C28 | 118.0° | 119.9° |
| CL | C29 | C30 | 119.8° | 119.9° |
| S | C5 | C3 | 111.9° | 109.6° |
| C5 | S | C6 | 102.1° | 103.0° |
| S | C5 | H27 | 108.9° | 109.5° |
| S | C5 | H28 | 108.9° | 109.4° |
| C5 | C3 | N | 124.1° | 126.5° |
| C5 | C3 | C2 | 125.1° | 125.6° |
| C3 | C5 | H27 | 108.8° | 109.4° |
| C3 | C5 | H28 | 108.9° | 109.4° |
| S | C6 | H25 | 108.4° | 109.5° |
| S | C6 | H26 | 108.4° | 109.5° |
| C29 | C28 | C27 | 120.3° | 121.1° |
| C28 | C29 | C30 | 122.1° | 120.2° |
| C29 | C28 | H19 | 119.9° | 119.4° |
| C28 | C27 | C26 | 120.4° | 120.1° |
| C28 | C27 | H15 | 119.8° | 120.0° |
| C27 | C28 | H19 | 119.9° | 119.5° |
| C29 | C30 | C2 | 119.5° | 119.2° |
| C29 | C30 | C31 | 117.1° | 119.3° |
| O | C22 | C23 | 111.7° | 109.5° |
| O | C22 | H11 | 108.9° | 109.4° |
| O | C22 | H12 | 108.9° | 109.5° |
| N | C3 | C2 | 110.8° | 107.9° |
| C3 | N | N1 | 106.9° | 108.6° |
| C3 | C2 | C30 | 127.9° | 123.5° |
| C3 | C2 | C1 | 106.2° | 107.6° |
| C27 | C26 | C31 | 119.4° | 119.3° |
| C27 | C26 | C25 | 133.1° | 133.5° |
| C26 | C27 | H15 | 119.9° | 119.9° |
| C22 | C23 | C24 | 112.4° | 110.0° |
| C23 | C22 | H11 | 108.9° | 109.5° |
| C23 | C22 | H12 | 108.9° | 109.5° |
| C22 | C23 | H21 | 108.7° | 109.4° |
| C22 | C23 | H22 | 108.7° | 109.3° |
| C2 | C30 | C31 | 123.2° | 121.6° |
| C30 | C2 | C1 | 125.9° | 128.9° |
| C30 | C31 | C26 | 120.7° | 119.8° |
| C30 | C31 | N4 | 132.3° | 133.2° |
| N | N1 | C1 | 110.6° | 108.0° |
| N | N1 | C4 | 118.9° | 126.0° |
| C2 | C1 | N1 | 105.4° | 107.9° |
| C2 | C1 | C | 130.0° | 126.1° |
| C31 | C26 | C25 | 107.5° | 107.1° |
| C26 | C31 | N4 | 107.0° | 107.0° |
| C26 | C25 | C24 | 123.5° | 126.5° |
| C26 | C25 | C32 | 107.5° | 107.5° |
| C31 | N4 | C32 | 108.5° | 109.0° |
| C31 | N4 | C34 | 125.1° | 125.5° |
| C23 | C24 | C25 | 114.4° | 109.3° |
| C23 | C24 | H13 | 108.2° | 109.5° |
| C23 | C24 | H14 | 108.2° | 109.6° |
| C24 | C23 | H21 | 108.7° | 109.4° |
| C24 | C23 | H22 | 108.7° | 109.4° |
| C1 | N1 | C4 | 130.4° | 126.0° |
| N1 | C1 | C | 124.5° | 126.1° |
| N1 | C4 | H29 | 109.5° | 109.5° |
| N1 | C4 | H30 | 109.5° | 109.5° |
| N1 | C4 | H31 | 109.5° | 109.5° |
| C1 | C | H32 | 109.5° | 109.5° |
| C1 | C | H33 | 109.4° | 109.5° |
| C1 | C | H34 | 109.4° | 109.5° |
| C24 | C25 | C32 | 128.9° | 125.9° |
| C25 | C24 | H13 | 108.2° | 109.5° |
| C25 | C24 | H14 | 108.2° | 109.5° |
| C25 | C32 | N4 | 109.6° | 109.0° |
| C25 | C32 | C33 | 127.9° | 125.5° |
| C32 | N4 | C34 | 126.4° | 125.5° |
| N4 | C32 | C33 | 122.4° | 125.5° |
| N4 | C34 | H16 | 109.5° | 109.5° |
| N4 | C34 | H17 | 109.4° | 109.4° |
| N4 | C34 | H18 | 109.5° | 109.5° |
| C32 | C33 | O2 | 117.4° | 120.0° |
| C32 | C33 | O1 | 120.5° | 120.0° |
| O2 | C33 | O1 | 122.0° | 120.0° |
| C33 | O1 | H20 | 109.5° | 117.0° |
| H2 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.6° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H16 | C34 | H17 | 109.5° | 109.4° |
| H16 | C34 | H18 | 109.5° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.3° |
| H25 | C6 | H26 | 109.5° | 109.4° |
| H27 | C5 | H28 | 109.5° | 109.5° |
| H29 | C4 | H30 | 109.5° | 109.5° |
| H29 | C4 | H31 | 109.5° | 109.4° |
| H30 | C4 | H31 | 109.4° | 109.5° |
| H32 | C | H33 | 109.5° | 109.5° |
| H32 | C | H34 | 109.5° | 109.4° |
| H33 | C | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N2 | C9 | C11 | 0.7° | 1.1° |
| C10 | N2 | C9 | N3 | 179.1° | 179.9° |
| C10 | N2 | C9 | C8 | 177.1° | 179.5° |
| C10 | N2 | N3 | C7 | 178.8° | 179.6° |
| N2 | C10 | H2 | H3 | 120.0° | 119.9° |
| N2 | C10 | H2 | H4 | 120.0° | 120.0° |
| N2 | C10 | H3 | H4 | 120.0° | 120.1° |
| S1 | C11 | C9 | H5 | 121.4° | 119.8° |
| S1 | C11 | C9 | H6 | 121.3° | 119.9° |
| C11 | S1 | C12 | C13 | 104.0° | 103.3° |
| S1 | C11 | C9 | N2 | 80.9° | 71.7° |
| C11 | S1 | C12 | C21 | 77.0° | 79.2° |
| S1 | C11 | C9 | C8 | 103.6° | 107.6° |
| S1 | C11 | H5 | H6 | 115.7° | 120.2° |
| C12 | S1 | C11 | C9 | 97.3° | 143.1° |
| S1 | C12 | C13 | C21 | 179.0° | 177.5° |
| S1 | C12 | C13 | C14 | 179.7° | 174.6° |
| S1 | C12 | C21 | C20 | 179.4° | 175.0° |
| C12 | S1 | C11 | H5 | 141.4° | 23.2° |
| C12 | S1 | C11 | H6 | 24.1° | 97.0° |
| S1 | C12 | C13 | H7 | 0.3° | 5.3° |
| S1 | C12 | C21 | H10 | 0.6° | 4.0° |
| C11 | C9 | N2 | C8 | 176.4° | 179.4° |
| C11 | C9 | N2 | N3 | 178.4° | 178.9° |
| C11 | C9 | C8 | C7 | 179.1° | 179.0° |
| C11 | C9 | C8 | H1 | 0.9° | 1.0° |
| C9 | C11 | H5 | H6 | 115.6° | 120.2° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.4° | 179.6° |
| C12 | C13 | C14 | C19 | 1.0° | 0.1° |
| C13 | C12 | C21 | C20 | 0.3° | 2.5° |
| C13 | C12 | C21 | H10 | 179.7° | 178.5° |
| C13 | C14 | C15 | C19 | 178.4° | 179.8° |
| C13 | C14 | C15 | C16 | 178.4° | 176.9° |
| C14 | C13 | C12 | C21 | 1.2° | 2.8° |
| C13 | C14 | C19 | C20 | 4.0° | 3.0° |
| C13 | C14 | C19 | C18 | 179.7° | 176.3° |
| C13 | C14 | C15 | H8 | 1.6° | 3.0° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.2° | 0.7° |
| C15 | C14 | C19 | C20 | 177.5° | 177.3° |
| C15 | C14 | C19 | C18 | 1.2° | 3.4° |
| C15 | C14 | C13 | H7 | 0.6° | 0.4° |
| C14 | C15 | C16 | H9 | 178.8° | 179.4° |
| C16 | C15 | C14 | C19 | 0.0° | 2.8° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.2° | 0.8° |
| C15 | C16 | C17 | H24 | 178.8° | 179.2° |
| C9 | N2 | N3 | C7 | 0.4° | 0.5° |
| N2 | C9 | C8 | C7 | 2.7° | 0.4° |
| N2 | C9 | C8 | H1 | 177.2° | 179.6° |
| C9 | N2 | C10 | H2 | 179.0° | 90.0° |
| C9 | N2 | C10 | H3 | 61.0° | 150.0° |
| C9 | N2 | C10 | H4 | 59.0° | 30.0° |
| N2 | C9 | C11 | H5 | 40.5° | 168.4° |
| N2 | C9 | C11 | H6 | 157.8° | 48.2° |
| N3 | N2 | C9 | C8 | 2.0° | 0.5° |
| N2 | N3 | C7 | C8 | 1.4° | 0.2° |
| N2 | N3 | C7 | C6 | 179.5° | 179.7° |
| N3 | N2 | C10 | H2 | 0.0° | 90.0° |
| N3 | N2 | C10 | H3 | 120.0° | 29.9° |
| N3 | N2 | C10 | H4 | 120.0° | 149.9° |
| C12 | C21 | C20 | H10 | 180.0° | 179.0° |
| C12 | C21 | C20 | C19 | 2.9° | 0.7° |
| C12 | C21 | C20 | O | 178.4° | 179.7° |
| C21 | C12 | C13 | H7 | 178.7° | 177.2° |
| C9 | C8 | C7 | N3 | 2.7° | 0.1° |
| C9 | C8 | C7 | H1 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.2° | 179.4° |
| C8 | C9 | C11 | H5 | 135.1° | 12.3° |
| C8 | C9 | C11 | H6 | 17.8° | 132.5° |
| C14 | C19 | C20 | C21 | 5.0° | 3.4° |
| C14 | C19 | C20 | C18 | 176.1° | 179.3° |
| C14 | C19 | C18 | C17 | 1.3° | 1.9° |
| C14 | C19 | C20 | O | 179.1° | 177.1° |
| C19 | C14 | C13 | H7 | 179.1° | 179.9° |
| C19 | C14 | C15 | H8 | 180.0° | 177.3° |
| C14 | C19 | C18 | H23 | 178.7° | 178.1° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C16 | C17 | C18 | H24 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 178.8° | 179.4° |
| C16 | C17 | C18 | H23 | 179.9° | 179.8° |
| N3 | C7 | C8 | C6 | 179.1° | 179.5° |
| N3 | C7 | C6 | S | 57.9° | 117.5° |
| N3 | C7 | C8 | H1 | 177.3° | 179.9° |
| N3 | C7 | C6 | H25 | 178.5° | 2.6° |
| N3 | C7 | C6 | H26 | 62.7° | 122.5° |
| C8 | C7 | C6 | S | 121.0° | 61.9° |
| C8 | C7 | C6 | H25 | 0.4° | 178.0° |
| C8 | C7 | C6 | H26 | 118.4° | 58.1° |
| C21 | C20 | C19 | O | 175.9° | 179.6° |
| C21 | C20 | C19 | C18 | 178.9° | 175.9° |
| C21 | C20 | O | C22 | 2.7° | 10.8° |
| C20 | C19 | C18 | C17 | 177.3° | 178.8° |
| C19 | C20 | O | C22 | 178.4° | 169.6° |
| C19 | C20 | C21 | H10 | 177.1° | 178.3° |
| C20 | C19 | C18 | H23 | 2.7° | 1.2° |
| C19 | C18 | C17 | H23 | 180.0° | 180.0° |
| C18 | C19 | C20 | O | 3.1° | 3.6° |
| C19 | C18 | C17 | H24 | 179.9° | 179.8° |
| C7 | C6 | S | C5 | 82.3° | 118.4° |
| C7 | C6 | S | H25 | 120.6° | 120.0° |
| C7 | C6 | S | H26 | 120.6° | 120.0° |
| C6 | C7 | C8 | H1 | 1.8° | 0.7° |
| C7 | C6 | H25 | H26 | 118.2° | 119.9° |
| C18 | C17 | C16 | H9 | 178.9° | 179.1° |
| C20 | O | C22 | C23 | 177.9° | 136.0° |
| O | C20 | C21 | H10 | 1.6° | 1.2° |
| C20 | O | C22 | H11 | 57.6° | 104.0° |
| C20 | O | C22 | H12 | 61.8° | 16.0° |
| CL | C29 | C28 | C30 | 176.1° | 180.0° |
| CL | C29 | C28 | C27 | 176.3° | 178.9° |
| CL | C29 | C30 | C2 | 2.5° | 1.9° |
| CL | C29 | C30 | C31 | 177.9° | 178.2° |
| CL | C29 | C28 | H19 | 3.7° | 1.0° |
| S | C5 | C3 | H27 | 120.4° | 120.1° |
| S | C5 | C3 | H28 | 120.4° | 120.0° |
| S | C5 | C3 | N | 92.0° | 48.5° |
| S | C5 | C3 | C2 | 88.9° | 132.0° |
| C5 | S | C6 | H25 | 38.3° | 121.6° |
| C5 | S | C6 | H26 | 157.1° | 1.7° |
| S | C5 | H27 | H28 | 118.9° | 119.9° |
| C3 | C5 | S | C6 | 94.9° | 134.5° |
| C5 | C3 | N | C2 | 179.2° | 179.6° |
| C5 | C3 | C2 | C30 | 0.3° | 0.4° |
| C5 | C3 | N | N1 | 179.9° | 178.7° |
| C5 | C3 | C2 | C1 | 177.4° | 178.8° |
| C3 | C5 | H27 | H28 | 118.9° | 119.9° |
| S | C6 | H25 | H26 | 118.1° | 120.0° |
| C6 | S | C5 | H27 | 144.7° | 105.5° |
| C6 | S | C5 | H28 | 25.4° | 14.5° |
| C29 | C28 | C27 | H19 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 2.0° | 0.5° |
| C28 | C29 | C30 | C2 | 173.5° | 178.0° |
| C28 | C29 | C30 | C31 | 1.8° | 1.8° |
| C29 | C28 | C27 | H15 | 178.0° | 179.6° |
| C27 | C28 | C29 | C30 | 0.2° | 1.0° |
| C28 | C27 | C26 | H15 | 180.0° | 179.9° |
| C28 | C27 | C26 | C31 | 2.5° | 2.9° |
| C28 | C27 | C26 | C25 | 178.2° | 175.8° |
| C29 | C30 | C2 | C3 | 73.8° | 104.8° |
| C29 | C30 | C2 | C31 | 175.0° | 179.9° |
| C29 | C30 | C2 | C1 | 103.6° | 74.2° |
| C29 | C30 | C31 | C26 | 1.3° | 5.2° |
| C29 | C30 | C31 | N4 | 177.6° | 175.4° |
| C30 | C29 | C28 | H19 | 179.8° | 179.0° |
| O | C22 | C23 | H11 | 120.3° | 120.0° |
| O | C22 | C23 | H12 | 120.3° | 120.0° |
| O | C22 | C23 | C24 | 68.7° | 137.6° |
| O | C22 | H11 | H12 | 119.0° | 120.0° |
| O | C22 | C23 | H21 | 51.8° | 17.4° |
| O | C22 | C23 | H22 | 170.9° | 102.2° |
| N | C3 | C2 | C30 | 179.5° | 180.0° |
| N | C3 | C2 | C1 | 1.7° | 0.8° |
| C3 | N | N1 | C1 | 3.3° | 0.6° |
| C3 | N | N1 | C4 | 179.9° | 179.8° |
| N | C3 | C5 | H27 | 28.3° | 168.6° |
| N | C3 | C5 | H28 | 147.6° | 71.5° |
| C3 | C2 | C30 | C1 | 177.4° | 179.0° |
| C3 | C2 | C30 | C31 | 111.2° | 75.1° |
| C2 | C3 | N | N1 | 1.0° | 0.8° |
| C3 | C2 | C1 | N1 | 3.6° | 0.4° |
| C3 | C2 | C1 | C | 179.3° | 179.3° |
| C2 | C3 | C5 | H27 | 150.7° | 11.9° |
| C2 | C3 | C5 | H28 | 31.4° | 108.0° |
| C27 | C26 | C31 | C30 | 0.8° | 5.7° |
| C27 | C26 | C31 | C25 | 179.5° | 179.0° |
| C27 | C26 | C31 | N4 | 180.0° | 174.7° |
| C27 | C26 | C25 | C24 | 2.1° | 5.1° |
| C27 | C26 | C25 | C32 | 178.5° | 175.8° |
| C26 | C27 | C28 | H19 | 178.0° | 179.6° |
| C22 | C23 | C24 | H21 | 120.5° | 120.2° |
| C22 | C23 | C24 | H22 | 120.4° | 120.1° |
| C22 | C23 | C24 | C25 | 69.4° | 89.9° |
| C23 | C22 | H11 | H12 | 119.0° | 120.0° |
| C22 | C23 | C24 | H13 | 51.3° | 150.1° |
| C22 | C23 | C24 | H14 | 169.9° | 30.0° |
| C22 | C23 | H21 | H22 | 118.6° | 119.7° |
| C2 | C30 | C31 | C26 | 173.8° | 174.7° |
| C2 | C30 | C31 | N4 | 7.2° | 4.8° |
| C30 | C2 | C1 | N1 | 178.6° | 179.6° |
| C30 | C2 | C1 | C | 1.5° | 0.2° |
| C31 | C30 | C2 | C1 | 71.4° | 105.9° |
| C30 | C31 | C26 | N4 | 179.2° | 179.6° |
| C30 | C31 | C26 | C25 | 179.8° | 173.3° |
| C30 | C31 | N4 | C32 | 179.1° | 174.6° |
| C30 | C31 | N4 | C34 | 2.8° | 5.4° |
| N | N1 | C1 | C2 | 4.3° | 0.1° |
| N | N1 | C1 | C4 | 176.2° | 179.6° |
| N | N1 | C1 | C | 178.3° | 179.8° |
| N | N1 | C4 | H29 | 0.0° | 90.0° |
| N | N1 | C4 | H30 | 120.0° | 150.0° |
| N | N1 | C4 | H31 | 120.0° | 30.0° |
| C2 | C1 | N1 | C | 177.3° | 179.7° |
| C2 | C1 | N1 | C4 | 179.4° | 179.7° |
| C2 | C1 | C | H32 | 88.2° | 89.9° |
| C2 | C1 | C | H33 | 151.8° | 150.0° |
| C2 | C1 | C | H34 | 31.9° | 30.0° |
| C31 | C26 | C25 | C24 | 177.3° | 173.7° |
| C31 | C26 | C25 | C32 | 0.9° | 5.4° |
| C26 | C31 | N4 | C32 | 1.8° | 4.9° |
| C26 | C31 | N4 | C34 | 176.3° | 175.1° |
| C31 | C26 | C27 | H15 | 177.5° | 177.0° |
| C25 | C26 | C31 | N4 | 0.6° | 6.3° |
| C26 | C25 | C24 | C23 | 98.3° | 149.4° |
| C26 | C25 | C24 | C32 | 175.6° | 178.9° |
| C26 | C25 | C32 | N4 | 2.0° | 2.4° |
| C26 | C25 | C32 | C33 | 178.4° | 177.7° |
| C26 | C25 | C24 | H13 | 22.4° | 90.6° |
| C26 | C25 | C24 | H14 | 140.9° | 29.4° |
| C25 | C26 | C27 | H15 | 1.8° | 4.2° |
| C31 | N4 | C32 | C25 | 2.4° | 1.6° |
| C31 | N4 | C32 | C34 | 178.0° | 180.0° |
| C31 | N4 | C32 | C33 | 179.1° | 178.3° |
| C31 | N4 | C34 | H16 | 180.0° | 90.1° |
| C31 | N4 | C34 | H17 | 60.0° | 150.0° |
| C31 | N4 | C34 | H18 | 60.0° | 30.0° |
| C23 | C24 | C25 | H13 | 120.7° | 119.9° |
| C23 | C24 | C25 | H14 | 120.7° | 120.0° |
| C23 | C24 | C25 | C32 | 86.1° | 29.5° |
| C24 | C23 | C22 | H11 | 171.0° | 17.6° |
| C24 | C23 | C22 | H12 | 51.6° | 102.4° |
| C23 | C24 | H13 | H14 | 117.7° | 120.1° |
| C24 | C23 | H21 | H22 | 118.6° | 119.8° |
| C1 | N1 | C4 | H29 | 176.0° | 90.5° |
| C1 | N1 | C4 | H30 | 55.9° | 29.6° |
| C1 | N1 | C4 | H31 | 64.0° | 149.6° |
| N1 | C1 | C | H32 | 88.5° | 90.4° |
| N1 | C1 | C | H33 | 31.5° | 29.7° |
| N1 | C1 | C | H34 | 151.5° | 149.7° |
| C4 | N1 | C1 | C | 2.1° | 0.6° |
| N1 | C4 | H29 | H30 | 120.0° | 120.0° |
| N1 | C4 | H29 | H31 | 120.0° | 120.0° |
| N1 | C4 | H30 | H31 | 120.0° | 120.0° |
| C1 | C | H32 | H33 | 120.0° | 120.0° |
| C1 | C | H32 | H34 | 120.0° | 120.0° |
| C1 | C | H33 | H34 | 120.0° | 120.0° |
| C24 | C25 | C32 | N4 | 178.2° | 176.7° |
| C24 | C25 | C32 | C33 | 5.4° | 3.2° |
| C25 | C24 | H13 | H14 | 117.7° | 120.0° |
| C25 | C24 | C23 | H21 | 170.1° | 149.9° |
| C25 | C24 | C23 | H22 | 51.0° | 30.2° |
| C25 | C32 | N4 | C33 | 176.7° | 179.9° |
| C25 | C32 | N4 | C34 | 175.6° | 178.4° |
| C25 | C32 | C33 | O2 | 37.7° | 76.8° |
| C25 | C32 | C33 | O1 | 143.7° | 103.2° |
| C32 | C25 | C24 | H13 | 153.2° | 90.4° |
| C32 | C25 | C24 | H14 | 34.7° | 149.5° |
| N4 | C32 | C33 | O2 | 138.3° | 103.4° |
| N4 | C32 | C33 | O1 | 40.3° | 76.7° |
| C32 | N4 | C34 | H16 | 2.3° | 89.9° |
| C32 | N4 | C34 | H17 | 117.7° | 30.0° |
| C32 | N4 | C34 | H18 | 122.3° | 150.0° |
| C34 | N4 | C32 | C33 | 1.0° | 1.7° |
| N4 | C34 | H16 | H17 | 120.0° | 119.9° |
| N4 | C34 | H16 | H18 | 120.0° | 120.1° |
| N4 | C34 | H17 | H18 | 120.0° | 120.0° |
| C32 | C33 | O2 | O1 | 178.6° | 180.0° |
| C32 | C33 | O1 | H20 | 178.5° | 179.9° |
| O2 | C33 | O1 | H20 | 0.0° | 0.1° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H8 | C15 | C16 | H9 | 1.2° | 0.6° |
| H9 | C16 | C17 | H24 | 1.2° | 0.9° |
| H11 | C22 | C23 | H21 | 68.5° | 102.5° |
| H11 | C22 | C23 | H22 | 50.6° | 137.8° |
| H12 | C22 | C23 | H21 | 172.1° | 137.5° |
| H12 | C22 | C23 | H22 | 68.8° | 17.8° |
| H13 | C24 | C23 | H21 | 69.2° | 30.0° |
| H13 | C24 | C23 | H22 | 171.7° | 89.7° |
| H14 | C24 | C23 | H21 | 49.4° | 90.1° |
| H14 | C24 | C23 | H22 | 69.7° | 150.2° |
| H15 | C27 | C28 | H19 | 2.0° | 0.4° |
| H16 | C34 | H17 | H18 | 120.0° | 120.0° |
| H23 | C18 | C17 | H24 | 0.1° | 0.2° |
| H29 | C4 | H30 | H31 | 120.0° | 120.0° |
| H32 | C | H33 | H34 | 120.0° | 120.0° |
