WX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C21 | sing | 1.74Å | 1.74Å | |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | C17 | sing | 1.35Å | 1.34Å | |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C16 | N4 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| C13 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | O2 | doub | 1.21Å | 1.23Å | |
| C12 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.46Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C | sing | 1.38Å | 1.43Å | |
| C | N1 | sing | 1.38Å | 1.41Å | |
| C | N | doub | 1.30Å | 1.31Å | |
| N3 | S | sing | 1.66Å | 1.62Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C5 | sing | 1.81Å | 1.78Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | O4 | sing | 1.43Å | 1.42Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O4 | HA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C21 | C20 | 119.2° | 120.0° |
| CL | C21 | C22 | 119.2° | 120.0° |
| C20 | C21 | C22 | 121.6° | 120.0° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C21 | C20 | H20 | 120.0° | 120.0° |
| C21 | C22 | C23 | 118.8° | 120.0° |
| C21 | C22 | H22 | 120.6° | 120.0° |
| C20 | C19 | C24 | 118.9° | 120.0° |
| C20 | C19 | C18 | 120.5° | 119.9° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C22 | C23 | C24 | 121.3° | 120.0° |
| C23 | C22 | H22 | 120.6° | 120.0° |
| C22 | C23 | H23 | 119.4° | 120.0° |
| C23 | C24 | C19 | 119.3° | 120.0° |
| C23 | C24 | C25 | 118.6° | 120.0° |
| C24 | C23 | H23 | 119.3° | 120.0° |
| C19 | C24 | C25 | 121.5° | 120.0° |
| C24 | C19 | C18 | 120.6° | 120.1° |
| C24 | C25 | O4 | 109.8° | 109.5° |
| C24 | C25 | H251 | 109.4° | 109.5° |
| C24 | C25 | H252 | 109.4° | 109.4° |
| C19 | C18 | N5 | 114.1° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C19 | C18 | H182 | 108.3° | 109.4° |
| C18 | N5 | C17 | 123.3° | 120.0° |
| N5 | C18 | H181 | 108.3° | 109.5° |
| N5 | C18 | H182 | 108.3° | 109.4° |
| C18 | N5 | H5 | 118.4° | 120.0° |
| N5 | C17 | O3 | 123.9° | 120.0° |
| N5 | C17 | C16 | 116.0° | 120.0° |
| C17 | N5 | H5 | 118.4° | 120.0° |
| O3 | C17 | C16 | 120.1° | 120.0° |
| C17 | C16 | C15 | 111.4° | 110.4° |
| C17 | C16 | N4 | 110.8° | 110.4° |
| C17 | C16 | H16 | 110.2° | 110.3° |
| C15 | C16 | N4 | 103.1° | 104.8° |
| C16 | C15 | C14 | 104.0° | 101.6° |
| C15 | C16 | H16 | 110.1° | 110.4° |
| C16 | C15 | H151 | 110.8° | 111.0° |
| C16 | C15 | H152 | 110.8° | 111.0° |
| C16 | N4 | C13 | 112.3° | 108.7° |
| C16 | N4 | C12 | 121.4° | 125.6° |
| N4 | C16 | H16 | 111.1° | 110.5° |
| C15 | C14 | C13 | 104.3° | 102.9° |
| C14 | C15 | H151 | 110.8° | 110.9° |
| C14 | C15 | H152 | 110.8° | 111.0° |
| C15 | C14 | H141 | 110.7° | 110.7° |
| C15 | C14 | H142 | 110.7° | 110.7° |
| C14 | C13 | N4 | 103.7° | 107.3° |
| C13 | C14 | H141 | 110.7° | 110.7° |
| C13 | C14 | H142 | 110.7° | 110.7° |
| C14 | C13 | H131 | 110.9° | 109.9° |
| C14 | C13 | H132 | 110.9° | 109.9° |
| C13 | N4 | C12 | 126.2° | 125.7° |
| N4 | C13 | H131 | 110.9° | 109.8° |
| N4 | C13 | H132 | 110.9° | 109.9° |
| N4 | C12 | O2 | 121.7° | 120.0° |
| N4 | C12 | C4 | 118.0° | 120.0° |
| O2 | C12 | C4 | 120.2° | 120.0° |
| C12 | C4 | C3 | 106.0° | 109.4° |
| C12 | C4 | N3 | 110.2° | 109.4° |
| C12 | C4 | H4 | 109.9° | 109.5° |
| C3 | C4 | N3 | 109.8° | 109.5° |
| C4 | C3 | C2 | 112.0° | 109.4° |
| C3 | C4 | H4 | 109.9° | 109.5° |
| C4 | C3 | H31C | 108.8° | 109.4° |
| C4 | C3 | H32C | 108.8° | 109.5° |
| C4 | N3 | S | 123.0° | 120.0° |
| N3 | C4 | H4 | 111.0° | 109.5° |
| C4 | N3 | H3 | 106.0° | 120.0° |
| C3 | C2 | C1 | 110.7° | 109.5° |
| C2 | C3 | H31C | 108.8° | 109.5° |
| C2 | C3 | H32C | 108.8° | 109.4° |
| C3 | C2 | H21C | 109.2° | 109.5° |
| C3 | C2 | H22C | 109.1° | 109.4° |
| C2 | C1 | N2 | 112.4° | 109.4° |
| C1 | C2 | H21C | 109.1° | 109.5° |
| C1 | C2 | H22C | 109.2° | 109.5° |
| C2 | C1 | H11C | 108.7° | 109.4° |
| C2 | C1 | H12C | 108.7° | 109.5° |
| C1 | N2 | C | 120.9° | 120.0° |
| N2 | C1 | H11C | 108.7° | 109.5° |
| N2 | C1 | H12C | 108.7° | 109.5° |
| C1 | N2 | H2 | 119.6° | 120.1° |
| N2 | C | N1 | 116.0° | 120.0° |
| N2 | C | N | 126.6° | 120.0° |
| C | N2 | H2 | 119.6° | 119.9° |
| N1 | C | N | 117.4° | 120.0° |
| C | N1 | H11N | 120.0° | 120.0° |
| C | N1 | H12N | 120.0° | 119.9° |
| C | N | H | 112.0° | 120.0° |
| N3 | S | O | 106.9° | 104.3° |
| N3 | S | O1 | 106.4° | 104.2° |
| N3 | S | C5 | 108.3° | 104.4° |
| S | N3 | H3 | 106.0° | 120.0° |
| O | S | O1 | 119.3° | 121.1° |
| O | S | C5 | 109.6° | 110.5° |
| O1 | S | C5 | 105.8° | 110.5° |
| S | C5 | C6 | 112.5° | 109.5° |
| S | C5 | H51C | 108.7° | 109.5° |
| S | C5 | H52C | 108.7° | 109.4° |
| C5 | C6 | C11 | 120.8° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C6 | C5 | H51C | 108.7° | 109.5° |
| C6 | C5 | H52C | 108.7° | 109.5° |
| C11 | C6 | C7 | 118.5° | 120.0° |
| C6 | C11 | C10 | 120.7° | 120.0° |
| C6 | C11 | H11 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.7° | 120.0° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C11 | C10 | C9 | 120.2° | 120.0° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C9 | H9 | 120.1° | 120.0° |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C9 | C8 | H8 | 119.9° | 120.0° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| O4 | C25 | H251 | 109.4° | 109.5° |
| O4 | C25 | H252 | 109.4° | 109.5° |
| C25 | O4 | HA | 109.5° | 114.0° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 111.0° |
| H141 | C14 | H142 | 109.4° | 110.8° |
| H131 | C13 | H132 | 109.5° | 110.0° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11N | N1 | H12N | 120.0° | 120.1° |
| H51C | C5 | H52C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C21 | C20 | C22 | 177.6° | 179.8° |
| CL | C21 | C20 | C19 | 175.5° | 180.0° |
| CL | C21 | C22 | C23 | 174.3° | 180.0° |
| CL | C21 | C20 | H20 | 4.5° | 0.0° |
| CL | C21 | C22 | H22 | 5.7° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 3.3° | 0.3° |
| C21 | C20 | C19 | C24 | 1.9° | 0.1° |
| C21 | C20 | C19 | C18 | 175.6° | 180.0° |
| C20 | C21 | C22 | H22 | 176.7° | 179.8° |
| C22 | C21 | C20 | C19 | 2.1° | 0.2° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.1° |
| C22 | C21 | C20 | H20 | 177.9° | 179.8° |
| C21 | C22 | C23 | H23 | 179.5° | 179.9° |
| C20 | C19 | C24 | C23 | 4.6° | 0.3° |
| C20 | C19 | C24 | C18 | 177.5° | 180.0° |
| C20 | C19 | C24 | C25 | 166.2° | 180.0° |
| C20 | C19 | C18 | N5 | 81.0° | 100.0° |
| C20 | C19 | C18 | H181 | 158.3° | 20.1° |
| C20 | C19 | C18 | H182 | 39.7° | 140.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C19 | 3.5° | 0.2° |
| C22 | C23 | C24 | C25 | 167.7° | 179.9° |
| C23 | C24 | C19 | C25 | 170.9° | 179.8° |
| C23 | C24 | C19 | C18 | 172.9° | 179.8° |
| C23 | C24 | C25 | O4 | 42.9° | 0.0° |
| C24 | C23 | C22 | H22 | 179.5° | 180.0° |
| C23 | C24 | C25 | H251 | 77.1° | 120.0° |
| C23 | C24 | C25 | H252 | 162.9° | 120.0° |
| C24 | C19 | C18 | N5 | 101.5° | 79.9° |
| C19 | C24 | C25 | O4 | 128.0° | 179.7° |
| C24 | C19 | C20 | H20 | 178.1° | 180.0° |
| C19 | C24 | C23 | H23 | 176.6° | 179.7° |
| C19 | C24 | C25 | H251 | 111.9° | 60.3° |
| C19 | C24 | C25 | H252 | 8.0° | 59.7° |
| C24 | C19 | C18 | H181 | 19.2° | 160.0° |
| C24 | C19 | C18 | H182 | 137.8° | 40.0° |
| C25 | C24 | C19 | C18 | 16.2° | 0.0° |
| C24 | C25 | O4 | H251 | 120.1° | 120.1° |
| C24 | C25 | O4 | H252 | 120.0° | 120.0° |
| C25 | C24 | C23 | H23 | 12.3° | 0.1° |
| C24 | C25 | H251 | H252 | 119.9° | 120.0° |
| C24 | C25 | O4 | HA | 180.0° | 180.0° |
| C19 | C18 | N5 | H181 | 120.7° | 120.1° |
| C19 | C18 | N5 | H182 | 120.7° | 119.9° |
| C19 | C18 | N5 | C17 | 115.1° | 180.0° |
| C18 | C19 | C20 | H20 | 4.4° | 0.0° |
| C19 | C18 | H181 | H182 | 117.9° | 120.0° |
| C19 | C18 | N5 | H5 | 64.9° | 0.1° |
| C18 | N5 | C17 | H5 | 180.0° | 179.9° |
| C18 | N5 | C17 | O3 | 0.5° | 0.1° |
| C18 | N5 | C17 | C16 | 178.7° | 180.0° |
| N5 | C18 | H181 | H182 | 117.9° | 119.9° |
| N5 | C17 | O3 | C16 | 178.1° | 180.0° |
| N5 | C17 | C16 | C15 | 116.2° | 89.2° |
| N5 | C17 | C16 | N4 | 129.6° | 155.4° |
| C17 | N5 | C18 | H181 | 5.6° | 60.0° |
| C17 | N5 | C18 | H182 | 124.2° | 60.0° |
| N5 | C17 | C16 | H16 | 6.3° | 33.1° |
| O3 | C17 | C16 | C15 | 65.6° | 90.8° |
| O3 | C17 | C16 | N4 | 48.6° | 24.6° |
| O3 | C17 | N5 | H5 | 179.5° | 180.0° |
| O3 | C17 | C16 | H16 | 171.9° | 147.0° |
| C17 | C16 | C15 | N4 | 118.9° | 118.8° |
| C17 | C16 | C15 | H16 | 122.6° | 122.2° |
| C17 | C16 | N4 | H16 | 122.8° | 122.3° |
| C17 | C16 | C15 | C14 | 147.9° | 155.8° |
| C17 | C16 | N4 | C13 | 131.1° | 143.0° |
| C17 | C16 | N4 | C12 | 47.7° | 37.1° |
| C16 | C17 | N5 | H5 | 1.3° | 0.1° |
| C17 | C16 | C15 | H151 | 28.8° | 37.8° |
| C17 | C16 | C15 | H152 | 92.9° | 86.1° |
| C15 | C16 | N4 | H16 | 117.9° | 118.9° |
| C16 | C15 | C14 | H151 | 119.1° | 118.1° |
| C16 | C15 | C14 | H152 | 119.2° | 118.1° |
| C16 | C15 | C14 | C13 | 35.9° | 35.5° |
| C15 | C16 | N4 | C13 | 11.7° | 24.2° |
| C15 | C16 | N4 | C12 | 167.0° | 155.9° |
| C16 | C15 | H151 | H152 | 122.6° | 124.0° |
| C16 | C15 | C14 | H141 | 155.1° | 153.9° |
| C16 | C15 | C14 | H142 | 83.3° | 82.8° |
| N4 | C16 | C15 | C14 | 29.0° | 37.0° |
| C16 | N4 | C13 | C14 | 10.3° | 1.1° |
| C16 | N4 | C13 | C12 | 178.7° | 179.9° |
| C16 | N4 | C12 | O2 | 0.7° | 5.3° |
| C16 | N4 | C12 | C4 | 178.9° | 174.8° |
| N4 | C16 | C15 | H151 | 90.1° | 81.0° |
| N4 | C16 | C15 | H152 | 148.2° | 155.0° |
| C16 | N4 | C13 | H131 | 108.8° | 120.5° |
| C16 | N4 | C13 | H132 | 129.4° | 118.4° |
| C15 | C14 | C13 | H141 | 119.2° | 118.4° |
| C15 | C14 | C13 | H142 | 119.2° | 118.3° |
| C15 | C14 | C13 | N4 | 28.4° | 22.1° |
| C14 | C15 | C16 | H16 | 89.5° | 81.9° |
| C14 | C15 | H151 | H152 | 122.5° | 123.8° |
| C15 | C14 | H141 | H142 | 122.4° | 123.2° |
| C15 | C14 | C13 | H131 | 90.7° | 97.2° |
| C15 | C14 | C13 | H132 | 147.4° | 141.6° |
| C14 | C13 | N4 | H131 | 119.1° | 119.4° |
| C14 | C13 | N4 | H132 | 119.1° | 119.5° |
| C14 | C13 | N4 | C12 | 171.0° | 179.0° |
| C13 | C14 | C15 | H151 | 83.2° | 82.6° |
| C13 | C14 | C15 | H152 | 155.1° | 153.5° |
| C13 | C14 | H141 | H142 | 122.4° | 123.2° |
| C14 | C13 | H131 | H132 | 122.7° | 121.1° |
| C13 | N4 | C12 | O2 | 179.3° | 174.8° |
| C13 | N4 | C12 | C4 | 0.4° | 5.1° |
| C13 | N4 | C16 | H16 | 106.1° | 94.7° |
| N4 | C13 | C14 | H141 | 147.6° | 140.5° |
| N4 | C13 | C14 | H142 | 90.8° | 96.2° |
| N4 | C13 | H131 | H132 | 122.7° | 121.1° |
| N4 | C12 | O2 | C4 | 179.6° | 179.9° |
| N4 | C12 | C4 | C3 | 97.5° | 80.9° |
| N4 | C12 | C4 | N3 | 143.8° | 159.1° |
| C12 | N4 | C16 | H16 | 75.1° | 85.2° |
| C12 | N4 | C13 | H131 | 69.9° | 59.6° |
| C12 | N4 | C13 | H132 | 52.0° | 61.5° |
| N4 | C12 | C4 | H4 | 21.3° | 39.1° |
| O2 | C12 | C4 | C3 | 82.9° | 99.2° |
| O2 | C12 | C4 | N3 | 35.8° | 20.8° |
| O2 | C12 | C4 | H4 | 158.4° | 140.8° |
| C12 | C4 | C3 | N3 | 119.0° | 119.9° |
| C12 | C4 | C3 | H4 | 118.7° | 120.0° |
| C12 | C4 | N3 | H4 | 121.9° | 120.0° |
| C12 | C4 | C3 | C2 | 162.4° | 175.6° |
| C12 | C4 | N3 | S | 85.3° | 96.2° |
| C12 | C4 | C3 | H31C | 77.3° | 55.7° |
| C12 | C4 | C3 | H32C | 42.0° | 64.4° |
| C12 | C4 | N3 | H3 | 152.9° | 83.8° |
| C3 | C4 | N3 | H4 | 121.7° | 120.0° |
| C4 | C3 | C2 | H31C | 120.4° | 119.9° |
| C4 | C3 | C2 | H32C | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 173.1° | 175.7° |
| C3 | C4 | N3 | S | 158.4° | 143.8° |
| C4 | C3 | H31C | H32C | 118.8° | 120.1° |
| C3 | C4 | N3 | H3 | 36.5° | 36.1° |
| C4 | C3 | C2 | H21C | 53.0° | 55.7° |
| C4 | C3 | C2 | H22C | 66.7° | 64.3° |
| N3 | C4 | C3 | C2 | 43.4° | 64.5° |
| C4 | N3 | S | H3 | 121.9° | 180.0° |
| C4 | N3 | S | O | 55.2° | 177.4° |
| C4 | N3 | S | O1 | 176.2° | 49.6° |
| C4 | N3 | S | C5 | 62.9° | 66.5° |
| N3 | C4 | C3 | H31C | 163.8° | 175.6° |
| N3 | C4 | C3 | H32C | 77.0° | 55.5° |
| C3 | C2 | C1 | H21C | 120.2° | 120.0° |
| C3 | C2 | C1 | H22C | 120.2° | 120.0° |
| C3 | C2 | C1 | N2 | 157.7° | 180.0° |
| C2 | C3 | C4 | H4 | 78.9° | 55.6° |
| C2 | C3 | H31C | H32C | 118.8° | 120.0° |
| C3 | C2 | H21C | H22C | 119.4° | 120.0° |
| C3 | C2 | C1 | H11C | 81.8° | 60.0° |
| C3 | C2 | C1 | H12C | 37.3° | 60.0° |
| C2 | C1 | N2 | H11C | 120.4° | 119.9° |
| C2 | C1 | N2 | H12C | 120.4° | 120.0° |
| C2 | C1 | N2 | C | 76.1° | 180.0° |
| C1 | C2 | C3 | H31C | 66.5° | 64.3° |
| C1 | C2 | C3 | H32C | 52.8° | 55.7° |
| C1 | C2 | H21C | H22C | 119.5° | 120.1° |
| C2 | C1 | H11C | H12C | 118.7° | 120.0° |
| C2 | C1 | N2 | H2 | 103.9° | 0.0° |
| C1 | N2 | C | H2 | 180.0° | 180.0° |
| C1 | N2 | C | N1 | 177.9° | 0.0° |
| C1 | N2 | C | N | 2.2° | 180.0° |
| N2 | C1 | C2 | H21C | 37.6° | 60.0° |
| N2 | C1 | C2 | H22C | 82.1° | 60.0° |
| N2 | C1 | H11C | H12C | 118.6° | 120.1° |
| N2 | C | N1 | N | 180.0° | 180.0° |
| C | N2 | C1 | H11C | 44.4° | 60.0° |
| C | N2 | C1 | H12C | 163.5° | 60.0° |
| N2 | C | N1 | H11N | 180.0° | 0.1° |
| N2 | C | N1 | H12N | 0.0° | 180.0° |
| N2 | C | N | H | 180.0° | 180.0° |
| N1 | C | N2 | H2 | 2.1° | 180.0° |
| C | N1 | H11N | H12N | 180.0° | 179.9° |
| N1 | C | N | H | 0.0° | 0.0° |
| N | C | N2 | H2 | 177.8° | 0.0° |
| N | C | N1 | H11N | 0.0° | 180.0° |
| N | C | N1 | H12N | 180.0° | 0.0° |
| N3 | S | O | O1 | 120.6° | 116.7° |
| N3 | S | O | C5 | 117.2° | 111.7° |
| N3 | S | O1 | C5 | 115.1° | 111.7° |
| N3 | S | C5 | C6 | 163.3° | 175.6° |
| S | N3 | C4 | H4 | 36.7° | 23.8° |
| N3 | S | C5 | H51C | 42.9° | 55.5° |
| N3 | S | C5 | H52C | 76.2° | 64.4° |
| O | S | O1 | C5 | 124.0° | 131.5° |
| O | S | C5 | C6 | 80.3° | 72.8° |
| O | S | N3 | H3 | 66.6° | 2.6° |
| O | S | C5 | H51C | 159.2° | 167.2° |
| O | S | C5 | H52C | 40.2° | 47.2° |
| O1 | S | C5 | C6 | 49.6° | 64.0° |
| O1 | S | N3 | H3 | 61.9° | 130.5° |
| O1 | S | C5 | H51C | 70.8° | 56.0° |
| O1 | S | C5 | H52C | 170.1° | 176.0° |
| S | C5 | C6 | H51C | 120.4° | 120.0° |
| S | C5 | C6 | H52C | 120.5° | 119.9° |
| S | C5 | C6 | C11 | 86.5° | 90.0° |
| S | C5 | C6 | C7 | 93.2° | 90.2° |
| C5 | S | N3 | H3 | 175.3° | 113.5° |
| S | C5 | H51C | H52C | 118.6° | 120.0° |
| C5 | C6 | C11 | C7 | 179.8° | 179.8° |
| C5 | C6 | C11 | C10 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 179.3° | 179.8° |
| C6 | C5 | H51C | H52C | 118.6° | 120.0° |
| C5 | C6 | C11 | H11 | 0.4° | 0.0° |
| C5 | C6 | C7 | H7 | 0.7° | 0.1° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C6 | C7 | C8 | 0.4° | 0.4° |
| C11 | C6 | C5 | H51C | 33.9° | 30.0° |
| C11 | C6 | C5 | H52C | 153.0° | 150.1° |
| C11 | C6 | C7 | H7 | 179.6° | 179.7° |
| C6 | C11 | C10 | H10 | 179.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.2° | 0.2° |
| C6 | C7 | C8 | C9 | 0.4° | 0.4° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C5 | H51C | 146.3° | 149.7° |
| C7 | C6 | C5 | H52C | 27.3° | 29.7° |
| C7 | C6 | C11 | H11 | 179.8° | 179.8° |
| C6 | C7 | C8 | H8 | 179.6° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.0° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.1° | 0.2° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C8 | H8 | 179.9° | 179.9° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | H7 | 179.6° | 179.7° |
| C8 | C9 | C10 | H10 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| O4 | C25 | H251 | H252 | 119.8° | 120.0° |
| H22 | C22 | C23 | H23 | 0.5° | 0.1° |
| H251 | C25 | O4 | HA | 60.0° | 60.0° |
| H252 | C25 | O4 | HA | 59.9° | 60.0° |
| H181 | C18 | N5 | H5 | 174.4° | 120.0° |
| H182 | C18 | N5 | H5 | 55.7° | 120.0° |
| H16 | C16 | C15 | H151 | 151.4° | 160.0° |
| H16 | C16 | C15 | H152 | 29.6° | 36.1° |
| H151 | C15 | C14 | H141 | 36.0° | 35.8° |
| H151 | C15 | C14 | H142 | 157.6° | 159.1° |
| H152 | C15 | C14 | H141 | 85.7° | 88.1° |
| H152 | C15 | C14 | H142 | 35.9° | 35.2° |
| H141 | C14 | C13 | H131 | 28.5° | 21.2° |
| H141 | C14 | C13 | H132 | 93.4° | 100.0° |
| H142 | C14 | C13 | H131 | 150.1° | 144.5° |
| H142 | C14 | C13 | H132 | 28.2° | 23.3° |
| H4 | C4 | C3 | H31C | 41.5° | 64.4° |
| H4 | C4 | C3 | H32C | 160.7° | 175.5° |
| H4 | C4 | N3 | H3 | 85.2° | 156.1° |
| H31C | C3 | C2 | H21C | 173.4° | 175.7° |
| H31C | C3 | C2 | H22C | 53.7° | 55.7° |
| H32C | C3 | C2 | H21C | 67.4° | 64.3° |
| H32C | C3 | C2 | H22C | 172.9° | 175.7° |
| H21C | C2 | C1 | H11C | 158.0° | 180.0° |
| H21C | C2 | C1 | H12C | 82.9° | 60.0° |
| H22C | C2 | C1 | H11C | 38.3° | 60.0° |
| H22C | C2 | C1 | H12C | 157.5° | 180.0° |
| H11C | C1 | N2 | H2 | 135.6° | 120.0° |
| H12C | C1 | N2 | H2 | 16.5° | 120.0° |
| H11 | C11 | C10 | H10 | 0.1° | 0.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.1° |
| H10 | C10 | C9 | H9 | 0.1° | 0.1° |
| H9 | C9 | C8 | H8 | 0.1° | 0.0° |
