WB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | N | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.46Å | 1.46Å | |
| N1 | C12 | sing | 1.38Å | 1.35Å | |
| N5 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C29 | sing | 1.34Å | 1.36Å | Aromatic |
| N4 | C28 | doub | 1.31Å | 1.32Å | Aromatic |
| N4 | C29 | sing | 1.33Å | 1.37Å | Aromatic |
| C11 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N | C6 | sing | 1.47Å | 1.47Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C25 | doub | 1.42Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C13 | doub | 1.32Å | 1.30Å | Aromatic |
| C27 | C26 | doub | 1.37Å | 1.36Å | Aromatic |
| C25 | C13 | sing | 1.42Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.36Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C | S | sing | 1.76Å | 1.77Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| S | O | doub | 1.42Å | 1.43Å | |
| S | C30 | sing | 1.81Å | 1.75Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| O1 | C14 | sing | 1.36Å | 1.39Å | |
| C23 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | doub | 1.35Å | 1.32Å | |
| C20 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | N3 | trip | 1.14Å | 1.14Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 110.3° | 109.3° |
| C10 | C9 | N | 110.3° | 109.5° |
| C9 | C10 | H3 | 109.3° | 109.5° |
| C9 | C10 | H4 | 109.3° | 109.5° |
| C10 | C9 | H31 | 109.3° | 109.5° |
| C10 | C9 | H32 | 109.2° | 109.5° |
| C10 | C11 | N1 | 109.9° | 109.5° |
| C10 | C11 | C8 | 110.6° | 109.2° |
| C11 | C10 | H3 | 109.2° | 109.5° |
| C11 | C10 | H4 | 109.3° | 109.5° |
| C10 | C11 | H5 | 108.1° | 109.5° |
| C9 | N | C6 | 111.9° | 111.0° |
| C9 | N | C7 | 109.9° | 111.2° |
| N | C9 | H31 | 109.3° | 109.4° |
| N | C9 | H32 | 109.3° | 109.5° |
| C11 | N1 | C12 | 128.5° | 120.0° |
| N1 | C11 | C8 | 111.4° | 109.5° |
| N1 | C11 | H5 | 108.8° | 109.5° |
| C11 | N1 | H33 | 104.5° | 120.0° |
| N1 | C12 | N5 | 116.1° | 118.6° |
| N1 | C12 | N2 | 116.7° | 118.6° |
| C12 | N1 | H33 | 104.5° | 120.0° |
| C12 | N5 | C29 | 115.7° | 120.5° |
| N5 | C12 | N2 | 127.2° | 122.8° |
| N5 | C29 | N4 | 116.0° | 121.7° |
| N5 | C29 | C25 | 121.9° | 118.5° |
| C28 | N4 | C29 | 117.6° | 121.2° |
| N4 | C28 | C27 | 124.4° | 121.8° |
| N4 | C28 | H19 | 117.8° | 119.1° |
| N4 | C29 | C25 | 122.0° | 119.8° |
| C11 | C8 | C7 | 110.9° | 109.3° |
| C8 | C11 | H5 | 108.0° | 109.6° |
| C11 | C8 | H29 | 109.1° | 109.5° |
| C11 | C8 | H30 | 109.1° | 109.5° |
| C12 | N2 | C13 | 116.2° | 121.3° |
| C6 | N | C7 | 112.7° | 111.0° |
| N | C6 | C5 | 116.7° | 109.5° |
| N | C6 | H25 | 107.6° | 109.5° |
| N | C6 | H26 | 107.7° | 109.5° |
| N | C7 | C8 | 111.4° | 109.5° |
| N | C7 | H27 | 109.0° | 109.4° |
| N | C7 | H28 | 109.0° | 109.5° |
| C28 | C27 | C26 | 118.8° | 119.9° |
| C28 | C27 | H18 | 120.6° | 120.0° |
| C27 | C28 | H19 | 117.8° | 119.1° |
| C29 | C25 | C13 | 115.1° | 118.6° |
| C29 | C25 | C26 | 117.3° | 119.3° |
| C6 | C5 | C4 | 121.6° | 120.0° |
| C6 | C5 | C2 | 119.8° | 120.0° |
| C5 | C6 | H25 | 107.6° | 109.5° |
| C5 | C6 | H26 | 107.6° | 109.5° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C4 | C5 | C2 | 118.4° | 120.0° |
| C5 | C4 | H24 | 119.4° | 119.9° |
| C4 | C3 | C | 119.3° | 120.0° |
| C4 | C3 | H20 | 120.4° | 120.0° |
| C3 | C4 | H24 | 119.4° | 120.0° |
| C8 | C7 | H27 | 109.0° | 109.5° |
| C8 | C7 | H28 | 109.0° | 109.4° |
| C7 | C8 | H29 | 109.1° | 109.5° |
| C7 | C8 | H30 | 109.1° | 109.5° |
| C5 | C2 | C1 | 121.2° | 120.0° |
| C5 | C2 | H11 | 119.4° | 120.0° |
| C3 | C | C1 | 120.5° | 120.0° |
| C3 | C | S | 119.8° | 120.0° |
| C | C3 | H20 | 120.3° | 120.0° |
| N2 | C13 | C25 | 123.9° | 118.3° |
| N2 | C13 | O1 | 120.4° | 120.9° |
| C27 | C26 | C25 | 119.8° | 118.0° |
| C27 | C26 | H17 | 120.1° | 121.0° |
| C26 | C27 | H18 | 120.6° | 120.1° |
| C13 | C25 | C26 | 127.3° | 122.1° |
| C25 | C13 | O1 | 115.6° | 120.8° |
| C25 | C26 | H17 | 120.1° | 121.0° |
| C13 | O1 | C14 | 122.2° | 118.0° |
| O2 | S | C | 108.3° | 104.3° |
| O2 | S | O | 118.1° | 121.1° |
| O2 | S | C30 | 108.5° | 110.5° |
| C1 | C | S | 119.7° | 119.9° |
| C | C1 | C2 | 119.4° | 120.0° |
| C | C1 | H2 | 120.3° | 120.0° |
| C | S | O | 108.2° | 104.3° |
| C | S | C30 | 104.4° | 104.4° |
| C2 | C1 | H2 | 120.3° | 120.0° |
| C1 | C2 | H11 | 119.4° | 120.0° |
| O | S | C30 | 108.5° | 110.5° |
| S | C30 | H21 | 109.5° | 109.5° |
| S | C30 | H22 | 109.5° | 109.4° |
| S | C30 | H23 | 109.5° | 109.5° |
| C24 | C23 | C14 | 121.9° | 120.0° |
| C24 | C23 | C22 | 120.7° | 119.9° |
| C23 | C24 | H14 | 109.5° | 109.5° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| C23 | C24 | H16 | 109.5° | 109.5° |
| O1 | C14 | C23 | 117.8° | 119.9° |
| O1 | C14 | C15 | 119.0° | 119.9° |
| C14 | C23 | C22 | 117.4° | 120.1° |
| C23 | C14 | C15 | 123.2° | 120.2° |
| C23 | C22 | C18 | 121.8° | 119.8° |
| C23 | C22 | H13 | 119.1° | 120.1° |
| C14 | C15 | C16 | 122.2° | 120.0° |
| C14 | C15 | C17 | 117.2° | 120.1° |
| C16 | C15 | C17 | 120.5° | 119.9° |
| C15 | C16 | H6 | 109.5° | 109.5° |
| C15 | C16 | H7 | 109.5° | 109.5° |
| C15 | C16 | H8 | 109.5° | 109.5° |
| C15 | C17 | C18 | 121.8° | 119.9° |
| C15 | C17 | H9 | 119.1° | 120.1° |
| C22 | C18 | C17 | 118.5° | 119.8° |
| C22 | C18 | C19 | 120.0° | 120.1° |
| C18 | C22 | H13 | 119.1° | 120.1° |
| C17 | C18 | C19 | 121.4° | 120.1° |
| C18 | C17 | H9 | 119.1° | 120.0° |
| C18 | C19 | C20 | 133.4° | 120.0° |
| C18 | C19 | H10 | 113.3° | 120.0° |
| C19 | C20 | C21 | 127.4° | 120.0° |
| C20 | C19 | H10 | 113.3° | 120.0° |
| C19 | C20 | H12 | 116.3° | 120.0° |
| C20 | C21 | N3 | 178.5° | 180.0° |
| C21 | C20 | H12 | 116.3° | 120.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H16 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.4° |
| H21 | C30 | H22 | 109.4° | 109.4° |
| H21 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H25 | C6 | H26 | 109.5° | 109.4° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H29 | C8 | H30 | 109.5° | 109.5° |
| H31 | C9 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H3 | 120.1° | 119.9° |
| C9 | C10 | C11 | H4 | 120.1° | 120.0° |
| C10 | C9 | N | H31 | 120.1° | 120.0° |
| C10 | C9 | N | H32 | 120.1° | 120.1° |
| C9 | C10 | C11 | N1 | 149.2° | 62.3° |
| C9 | C10 | C11 | C8 | 25.8° | 57.6° |
| C10 | C9 | N | C6 | 162.4° | 174.2° |
| C10 | C9 | N | C7 | 71.6° | 61.7° |
| C9 | C10 | H3 | H4 | 119.6° | 120.1° |
| C9 | C10 | C11 | H5 | 92.2° | 177.6° |
| C10 | C9 | H31 | H32 | 119.6° | 120.0° |
| C11 | C10 | C9 | N | 37.9° | 59.1° |
| C10 | C11 | N1 | C8 | 122.9° | 119.7° |
| C10 | C11 | N1 | H5 | 118.2° | 120.1° |
| C10 | C11 | N1 | C12 | 159.5° | 155.0° |
| C10 | C11 | C8 | H5 | 118.1° | 119.9° |
| C10 | C11 | C8 | C7 | 61.8° | 57.7° |
| C11 | C10 | H3 | H4 | 119.6° | 120.1° |
| C10 | C11 | C8 | H29 | 58.4° | 177.6° |
| C10 | C11 | C8 | H30 | 178.0° | 62.3° |
| C11 | C10 | C9 | H31 | 158.1° | 60.8° |
| C11 | C10 | C9 | H32 | 82.2° | 179.2° |
| C10 | C11 | N1 | H33 | 78.0° | 25.0° |
| C9 | N | C6 | C7 | 124.5° | 124.2° |
| C9 | N | C6 | C5 | 89.7° | 65.8° |
| C9 | N | C7 | C8 | 33.7° | 61.7° |
| N | C9 | C10 | H3 | 158.0° | 60.8° |
| N | C9 | C10 | H4 | 82.2° | 179.1° |
| C9 | N | C6 | H25 | 149.2° | 54.3° |
| C9 | N | C6 | H26 | 31.3° | 174.2° |
| C9 | N | C7 | H27 | 153.9° | 178.3° |
| C9 | N | C7 | H28 | 86.6° | 58.2° |
| N | C9 | H31 | H32 | 119.6° | 119.9° |
| C11 | N1 | C12 | H33 | 122.5° | 179.9° |
| C11 | N1 | C12 | N5 | 176.5° | 0.3° |
| N1 | C11 | C8 | H5 | 119.4° | 120.2° |
| C11 | N1 | C12 | N2 | 2.4° | 180.0° |
| N1 | C11 | C8 | C7 | 175.7° | 62.3° |
| N1 | C11 | C10 | H3 | 29.0° | 177.8° |
| N1 | C11 | C10 | H4 | 90.7° | 57.7° |
| N1 | C11 | C8 | H29 | 64.1° | 57.7° |
| N1 | C11 | C8 | H30 | 55.5° | 177.8° |
| N1 | C12 | N5 | N2 | 178.7° | 179.7° |
| N1 | C12 | N5 | C29 | 178.8° | 179.7° |
| C12 | N1 | C11 | C8 | 77.6° | 85.3° |
| N1 | C12 | N2 | C13 | 179.7° | 180.0° |
| C12 | N1 | C11 | H5 | 41.3° | 34.9° |
| C12 | N5 | C29 | N4 | 175.6° | 179.2° |
| C12 | N5 | C29 | C25 | 1.2° | 0.5° |
| N5 | C12 | N2 | C13 | 1.0° | 0.3° |
| N5 | C12 | N1 | H33 | 61.0° | 179.7° |
| N5 | C29 | N4 | C28 | 176.3° | 179.7° |
| N5 | C29 | N4 | C25 | 176.9° | 178.6° |
| C29 | N5 | C12 | N2 | 0.0° | 0.0° |
| N5 | C29 | C25 | C13 | 1.4° | 0.8° |
| N5 | C29 | C25 | C26 | 176.0° | 179.7° |
| N4 | C28 | C27 | H19 | 180.0° | 180.0° |
| C28 | N4 | C29 | C25 | 0.6° | 1.1° |
| N4 | C28 | C27 | C26 | 0.2° | 0.0° |
| N4 | C28 | C27 | H18 | 179.8° | 180.0° |
| C29 | N4 | C28 | C27 | 0.1° | 0.5° |
| N4 | C29 | C25 | C13 | 175.2° | 179.4° |
| N4 | C29 | C25 | C26 | 0.7° | 1.1° |
| C29 | N4 | C28 | H19 | 179.9° | 179.5° |
| C11 | C8 | C7 | N | 30.2° | 59.2° |
| C11 | C8 | C7 | H29 | 120.2° | 120.0° |
| C11 | C8 | C7 | H30 | 120.2° | 119.9° |
| C8 | C11 | C10 | H3 | 94.3° | 62.3° |
| C8 | C11 | C10 | H4 | 145.9° | 177.6° |
| C11 | C8 | C7 | H27 | 90.1° | 179.2° |
| C11 | C8 | C7 | H28 | 150.4° | 60.8° |
| C11 | C8 | H29 | H30 | 119.4° | 120.1° |
| C8 | C11 | N1 | H33 | 44.9° | 94.7° |
| C12 | N2 | C13 | C25 | 0.7° | 0.1° |
| C12 | N2 | C13 | O1 | 176.1° | 180.0° |
| N2 | C12 | N1 | H33 | 120.1° | 0.0° |
| N | C6 | C5 | H25 | 121.0° | 120.1° |
| N | C6 | C5 | H26 | 121.1° | 120.0° |
| N | C6 | C5 | C4 | 59.8° | 90.0° |
| C6 | N | C7 | C8 | 159.2° | 174.2° |
| N | C6 | C5 | C2 | 125.5° | 90.8° |
| N | C6 | H25 | H26 | 116.7° | 120.0° |
| C6 | N | C7 | H27 | 80.5° | 54.2° |
| C6 | N | C7 | H28 | 38.9° | 65.9° |
| C6 | N | C9 | H31 | 42.3° | 65.8° |
| C6 | N | C9 | H32 | 77.5° | 54.1° |
| C7 | N | C6 | C5 | 34.7° | 170.0° |
| N | C7 | C8 | H27 | 120.3° | 120.0° |
| N | C7 | C8 | H28 | 120.3° | 120.0° |
| C7 | N | C6 | H25 | 86.3° | 70.0° |
| C7 | N | C6 | H26 | 155.8° | 50.0° |
| N | C7 | H27 | H28 | 119.1° | 120.0° |
| N | C7 | C8 | H29 | 90.0° | 179.1° |
| N | C7 | C8 | H30 | 150.4° | 60.8° |
| C7 | N | C9 | H31 | 168.3° | 58.3° |
| C7 | N | C9 | H32 | 48.5° | 178.2° |
| C28 | C27 | C26 | H18 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H17 | 180.0° | 180.0° |
| C29 | C25 | C13 | N2 | 0.4° | 0.5° |
| C29 | C25 | C26 | C27 | 0.4° | 0.5° |
| C29 | C25 | C13 | C26 | 173.9° | 179.5° |
| C29 | C25 | C13 | O1 | 177.4° | 179.5° |
| C29 | C25 | C26 | H17 | 179.6° | 179.5° |
| C6 | C5 | C4 | C2 | 174.8° | 179.2° |
| C6 | C5 | C4 | C3 | 173.4° | 180.0° |
| C6 | C5 | C2 | C1 | 173.3° | 179.8° |
| C6 | C5 | C2 | H11 | 6.7° | 0.2° |
| C6 | C5 | C4 | H24 | 6.6° | 0.9° |
| C5 | C6 | H25 | H26 | 116.7° | 120.0° |
| C5 | C4 | C3 | H24 | 180.0° | 179.1° |
| C5 | C4 | C3 | C | 0.1° | 0.5° |
| C4 | C5 | C2 | C1 | 1.6° | 0.6° |
| C4 | C5 | C2 | H11 | 178.4° | 179.4° |
| C5 | C4 | C3 | H20 | 179.9° | 179.4° |
| C4 | C5 | C6 | H25 | 179.1° | 30.0° |
| C4 | C5 | C6 | H26 | 61.2° | 150.0° |
| C3 | C4 | C5 | C2 | 1.4° | 0.8° |
| C4 | C3 | C | H20 | 180.0° | 179.9° |
| C4 | C3 | C | C1 | 1.1° | 0.0° |
| C4 | C3 | C | S | 177.1° | 179.8° |
| C7 | C8 | C11 | H5 | 56.3° | 177.6° |
| C8 | C7 | H27 | H28 | 119.1° | 120.0° |
| C7 | C8 | H29 | H30 | 119.4° | 120.0° |
| C5 | C2 | C1 | C | 0.4° | 0.0° |
| C5 | C2 | C1 | H11 | 180.0° | 180.0° |
| C5 | C2 | C1 | H2 | 179.6° | 180.0° |
| C2 | C5 | C4 | H24 | 178.6° | 180.0° |
| C2 | C5 | C6 | H25 | 4.4° | 149.1° |
| C2 | C5 | C6 | H26 | 113.5° | 29.2° |
| C3 | C | S | O2 | 76.2° | 25.8° |
| C3 | C | C1 | S | 178.2° | 179.7° |
| C3 | C | C1 | C2 | 1.0° | 0.3° |
| C3 | C | S | O | 52.9° | 153.7° |
| C3 | C | S | C30 | 168.4° | 90.3° |
| C3 | C | C1 | H2 | 179.0° | 179.7° |
| C | C3 | C4 | H24 | 179.9° | 179.7° |
| N2 | C13 | C25 | O1 | 176.9° | 179.9° |
| N2 | C13 | C25 | C26 | 174.3° | 179.9° |
| N2 | C13 | O1 | C14 | 4.8° | 0.0° |
| C27 | C26 | C25 | C13 | 174.2° | 180.0° |
| C27 | C26 | C25 | H17 | 180.0° | 180.0° |
| C26 | C27 | C28 | H19 | 179.8° | 180.0° |
| C25 | C13 | O1 | C14 | 178.1° | 180.0° |
| C13 | C25 | C26 | H17 | 5.8° | 0.1° |
| C26 | C25 | C13 | O1 | 8.7° | 0.0° |
| C25 | C26 | C27 | H18 | 180.0° | 180.0° |
| C13 | O1 | C14 | C23 | 102.5° | 90.3° |
| C13 | O1 | C14 | C15 | 81.0° | 90.0° |
| O2 | S | C | C1 | 102.0° | 154.0° |
| O2 | S | C | O | 129.1° | 127.9° |
| O2 | S | C | C30 | 115.4° | 116.0° |
| O2 | S | O | C30 | 123.9° | 131.5° |
| O2 | S | C30 | H21 | 180.0° | 51.6° |
| O2 | S | C30 | H22 | 60.0° | 68.4° |
| O2 | S | C30 | H23 | 60.0° | 171.6° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C | S | O | 128.8° | 26.1° |
| C1 | C | S | C30 | 13.4° | 90.0° |
| C | C1 | C2 | H11 | 179.6° | 180.0° |
| C1 | C | C3 | H20 | 178.9° | 180.0° |
| S | C | C1 | C2 | 177.2° | 180.0° |
| C | S | O | C30 | 112.7° | 111.7° |
| S | C | C1 | H2 | 2.8° | 0.1° |
| S | C | C3 | H20 | 2.9° | 0.3° |
| C | S | C30 | H21 | 64.7° | 60.0° |
| C | S | C30 | H22 | 55.3° | 180.0° |
| C | S | C30 | H23 | 175.3° | 60.0° |
| O | S | C30 | H21 | 50.5° | 171.7° |
| O | S | C30 | H22 | 170.5° | 68.4° |
| O | S | C30 | H23 | 69.5° | 51.6° |
| S | C30 | H21 | H22 | 120.0° | 119.9° |
| S | C30 | H21 | H23 | 120.0° | 120.0° |
| S | C30 | H22 | H23 | 120.0° | 120.0° |
| C24 | C23 | C14 | O1 | 3.9° | 0.3° |
| C24 | C23 | C14 | C22 | 179.3° | 180.0° |
| C24 | C23 | C14 | C15 | 179.7° | 180.0° |
| C24 | C23 | C22 | C18 | 179.3° | 180.0° |
| C24 | C23 | C22 | H13 | 0.7° | 0.0° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H16 | 120.0° | 120.0° |
| C23 | C24 | H15 | H16 | 120.0° | 120.0° |
| O1 | C14 | C23 | C15 | 176.4° | 179.7° |
| O1 | C14 | C23 | C22 | 175.4° | 179.8° |
| O1 | C14 | C15 | C16 | 4.2° | 0.3° |
| O1 | C14 | C15 | C17 | 175.4° | 179.7° |
| C23 | C14 | C15 | C16 | 179.5° | 180.0° |
| C23 | C14 | C15 | C17 | 1.0° | 0.0° |
| C14 | C23 | C22 | C18 | 0.0° | 0.0° |
| C14 | C23 | C22 | H13 | 180.0° | 180.0° |
| C14 | C23 | C24 | H14 | 90.4° | 90.0° |
| C14 | C23 | C24 | H15 | 149.6° | 150.0° |
| C14 | C23 | C24 | H16 | 29.7° | 30.0° |
| C22 | C23 | C14 | C15 | 1.0° | 0.0° |
| C23 | C22 | C18 | H13 | 180.0° | 179.9° |
| C23 | C22 | C18 | C17 | 1.0° | 0.1° |
| C23 | C22 | C18 | C19 | 176.7° | 179.9° |
| C22 | C23 | C24 | H14 | 90.3° | 90.0° |
| C22 | C23 | C24 | H15 | 29.7° | 30.0° |
| C22 | C23 | C24 | H16 | 149.7° | 150.0° |
| C14 | C15 | C16 | C17 | 179.5° | 180.0° |
| C14 | C15 | C17 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | H6 | 89.8° | 90.0° |
| C14 | C15 | C16 | H7 | 150.2° | 150.0° |
| C14 | C15 | C16 | H8 | 30.3° | 30.0° |
| C14 | C15 | C17 | H9 | 179.9° | 179.9° |
| C16 | C15 | C17 | C18 | 179.5° | 180.0° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C15 | C16 | H6 | H8 | 120.0° | 120.0° |
| C15 | C16 | H7 | H8 | 119.9° | 120.0° |
| C16 | C15 | C17 | H9 | 0.6° | 0.1° |
| C15 | C17 | C18 | C22 | 1.0° | 0.1° |
| C15 | C17 | C18 | H9 | 180.0° | 179.8° |
| C15 | C17 | C18 | C19 | 176.6° | 180.0° |
| C17 | C15 | C16 | H6 | 89.8° | 90.0° |
| C17 | C15 | C16 | H7 | 30.3° | 30.0° |
| C17 | C15 | C16 | H8 | 150.2° | 150.0° |
| C22 | C18 | C17 | C19 | 177.7° | 179.9° |
| C22 | C18 | C19 | C20 | 176.8° | 0.1° |
| C22 | C18 | C17 | H9 | 178.9° | 180.0° |
| C22 | C18 | C19 | H10 | 3.2° | 179.9° |
| C17 | C18 | C19 | C20 | 0.8° | 179.9° |
| C17 | C18 | C19 | H10 | 179.1° | 0.1° |
| C17 | C18 | C22 | H13 | 179.0° | 180.0° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 179.7° | 180.0° |
| C19 | C18 | C17 | H9 | 3.4° | 0.2° |
| C18 | C19 | C20 | H12 | 0.3° | 0.0° |
| C19 | C18 | C22 | H13 | 3.3° | 0.1° |
| C19 | C20 | C21 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | N3 | 5.0° | 75.2° |
| C21 | C20 | C19 | H10 | 0.3° | 0.0° |
| N3 | C21 | C20 | H12 | 175.0° | 104.8° |
| H2 | C1 | C2 | H11 | 0.4° | 0.0° |
| H3 | C10 | C11 | H5 | 147.6° | 57.7° |
| H3 | C10 | C9 | H31 | 81.8° | 179.2° |
| H3 | C10 | C9 | H32 | 37.9° | 59.2° |
| H4 | C10 | C11 | H5 | 27.9° | 62.5° |
| H4 | C10 | C9 | H31 | 37.9° | 59.1° |
| H4 | C10 | C9 | H32 | 157.6° | 60.9° |
| H5 | C11 | C8 | H29 | 176.5° | 62.5° |
| H5 | C11 | C8 | H30 | 63.9° | 57.6° |
| H5 | C11 | N1 | H33 | 163.8° | 145.1° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H10 | C19 | C20 | H12 | 179.7° | 180.0° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
| H17 | C26 | C27 | H18 | 0.0° | 0.0° |
| H18 | C27 | C28 | H19 | 0.2° | 0.0° |
| H20 | C3 | C4 | H24 | 0.1° | 0.3° |
| H21 | C30 | H22 | H23 | 120.0° | 120.1° |
| H27 | C7 | C8 | H29 | 149.7° | 60.9° |
| H27 | C7 | C8 | H30 | 30.1° | 59.2° |
| H28 | C7 | C8 | H29 | 30.2° | 59.2° |
| H28 | C7 | C8 | H30 | 89.4° | 179.3° |
