YD3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C22 | doub | 1.22Å | 1.23Å | |
| C22 | N3 | sing | 1.35Å | 1.35Å | |
| C22 | C23 | sing | 1.41Å | 1.45Å | |
| N3 | C21 | sing | 1.38Å | 1.39Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C25 | doub | 1.36Å | 1.37Å | |
| C25 | C26 | sing | 1.42Å | 1.45Å | |
| C26 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N | doub | 1.32Å | 1.34Å | Aromatic |
| N | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C21 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.40Å | 1.39Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C14 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | O | sing | 1.43Å | 1.43Å | |
| C13 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| O | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | S | sing | 1.82Å | 1.77Å | |
| S | O1 | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | C18 | sing | 1.82Å | 1.76Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | HA | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N2 | HB | sing | 1.01Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C22 | N3 | 120.0° | 119.6° |
| O3 | C22 | C23 | 124.6° | 119.5° |
| N3 | C22 | C23 | 115.5° | 120.9° |
| C22 | N3 | C21 | 126.6° | 120.4° |
| C22 | N3 | H3 | 116.7° | 119.8° |
| C22 | C23 | C24 | 119.0° | 119.9° |
| C22 | C23 | C25 | 120.0° | 120.3° |
| N3 | C21 | C26 | 119.0° | 119.7° |
| N3 | C21 | C9 | 120.3° | 120.7° |
| C21 | N3 | H3 | 116.7° | 119.8° |
| C24 | C23 | C25 | 121.0° | 119.9° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C25 | C26 | 122.9° | 119.2° |
| C23 | C25 | H25 | 118.5° | 120.4° |
| C25 | C26 | C6 | 123.9° | 120.9° |
| C25 | C26 | C21 | 116.0° | 119.5° |
| C26 | C25 | H25 | 118.5° | 120.4° |
| C6 | C26 | C21 | 120.1° | 119.7° |
| C26 | C6 | C4 | 122.8° | 120.2° |
| C26 | C6 | C7 | 118.9° | 119.6° |
| C26 | C21 | C9 | 120.8° | 119.6° |
| C4 | C6 | C7 | 118.2° | 120.2° |
| C6 | C4 | C3 | 121.9° | 120.5° |
| C6 | C4 | C5 | 121.5° | 120.5° |
| C6 | C7 | C8 | 120.7° | 120.3° |
| C6 | C7 | H7 | 119.7° | 119.9° |
| C3 | C4 | C5 | 116.5° | 118.9° |
| C4 | C3 | N | 123.9° | 120.5° |
| C4 | C3 | HA | 118.0° | 119.8° |
| C4 | C5 | C1 | 121.1° | 118.3° |
| C4 | C5 | H5 | 119.4° | 120.8° |
| C3 | N | C2 | 117.5° | 121.9° |
| N | C3 | HA | 118.0° | 119.7° |
| N | C2 | C1 | 123.9° | 121.1° |
| N | C2 | H2 | 118.0° | 119.5° |
| C2 | C1 | C5 | 117.0° | 119.3° |
| C2 | C1 | C | 121.5° | 120.4° |
| C1 | C2 | H2 | 118.0° | 119.5° |
| C5 | C1 | C | 121.5° | 120.3° |
| C1 | C5 | H5 | 119.4° | 120.9° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.5° |
| C1 | C | HC3 | 109.4° | 109.5° |
| C21 | C9 | C8 | 117.6° | 120.0° |
| C21 | C9 | N1 | 119.9° | 120.0° |
| C8 | C9 | N1 | 122.5° | 120.0° |
| C9 | C8 | C7 | 121.9° | 120.7° |
| C9 | C8 | H8 | 119.1° | 119.6° |
| C9 | N1 | C10 | 126.7° | 120.0° |
| C9 | N1 | H1 | 105.0° | 120.0° |
| C8 | C7 | H7 | 119.7° | 119.8° |
| C7 | C8 | H8 | 119.0° | 119.6° |
| N1 | C10 | C14 | 110.7° | 109.5° |
| N1 | C10 | C11 | 110.7° | 109.5° |
| C10 | N1 | H1 | 105.0° | 120.0° |
| N1 | C10 | H10 | 109.1° | 109.5° |
| C14 | C10 | C11 | 109.7° | 109.2° |
| C10 | C14 | C13 | 111.0° | 109.2° |
| C10 | C14 | O | 106.7° | 109.5° |
| C14 | C10 | H10 | 108.3° | 109.5° |
| C10 | C14 | H14 | 109.7° | 109.5° |
| C10 | C11 | C12 | 111.4° | 109.3° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.5° |
| C10 | C11 | H112 | 109.0° | 109.5° |
| C13 | C14 | O | 108.8° | 109.5° |
| C14 | C13 | N2 | 110.6° | 109.5° |
| C13 | C14 | H14 | 109.6° | 109.5° |
| C14 | C13 | H131 | 109.2° | 109.5° |
| C14 | C13 | H132 | 109.2° | 109.5° |
| C14 | O | C15 | 114.9° | 114.0° |
| O | C14 | H14 | 111.0° | 109.6° |
| C13 | N2 | C12 | 115.5° | 111.2° |
| N2 | C13 | H131 | 109.2° | 109.5° |
| N2 | C13 | H132 | 109.2° | 109.5° |
| C13 | N2 | HB | 107.9° | 111.0° |
| N2 | C12 | C11 | 112.1° | 109.5° |
| C12 | N2 | HB | 107.9° | 111.0° |
| N2 | C12 | H121 | 108.8° | 109.5° |
| N2 | C12 | H122 | 108.8° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C12 | C11 | H112 | 109.0° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.4° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| O | C15 | C16 | 106.8° | 109.5° |
| O | C15 | H151 | 110.1° | 109.5° |
| O | C15 | H152 | 110.1° | 109.5° |
| C15 | C16 | C20 | 110.1° | 109.2° |
| C15 | C16 | C17 | 111.0° | 109.3° |
| C16 | C15 | H151 | 110.1° | 109.5° |
| C16 | C15 | H152 | 110.1° | 109.5° |
| C15 | C16 | H16 | 109.0° | 109.3° |
| C20 | C16 | C17 | 109.2° | 110.6° |
| C16 | C20 | C19 | 112.6° | 110.0° |
| C20 | C16 | H16 | 108.7° | 109.2° |
| C16 | C20 | H201 | 108.7° | 109.4° |
| C16 | C20 | H202 | 108.7° | 109.4° |
| C16 | C17 | C18 | 115.4° | 110.0° |
| C17 | C16 | H16 | 108.8° | 109.2° |
| C16 | C17 | H171 | 108.0° | 109.3° |
| C16 | C17 | H172 | 107.9° | 109.4° |
| C20 | C19 | S | 110.4° | 109.0° |
| C19 | C20 | H201 | 108.7° | 109.4° |
| C19 | C20 | H202 | 108.7° | 109.4° |
| C20 | C19 | H191 | 109.2° | 109.6° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C19 | S | O1 | 109.3° | 108.7° |
| C19 | S | O2 | 109.0° | 108.7° |
| C19 | S | C18 | 100.8° | 101.3° |
| S | C19 | H191 | 109.2° | 109.5° |
| S | C19 | H192 | 109.2° | 109.5° |
| O1 | S | O2 | 118.2° | 119.3° |
| O1 | S | C18 | 109.1° | 108.7° |
| O2 | S | C18 | 109.1° | 108.8° |
| S | C18 | C17 | 109.3° | 109.0° |
| S | C18 | H181 | 109.5° | 109.6° |
| S | C18 | H182 | 109.5° | 109.6° |
| C18 | C17 | H171 | 107.9° | 109.4° |
| C18 | C17 | H172 | 107.9° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.6° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.6° |
| H241 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H243 | 109.4° | 109.4° |
| HC1 | C | HC2 | 109.5° | 109.4° |
| HC1 | C | HC3 | 109.5° | 109.4° |
| HC2 | C | HC3 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.3° |
| H171 | C17 | H172 | 109.5° | 109.3° |
| H191 | C19 | H192 | 109.5° | 109.6° |
| H181 | C18 | H182 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C22 | N3 | C23 | 179.0° | 179.8° |
| O3 | C22 | N3 | C21 | 177.5° | 179.9° |
| O3 | C22 | C23 | C24 | 5.4° | 0.0° |
| O3 | C22 | C23 | C25 | 176.9° | 180.0° |
| O3 | C22 | N3 | H3 | 2.5° | 0.0° |
| C22 | N3 | C21 | H3 | 180.0° | 179.9° |
| N3 | C22 | C23 | C24 | 175.7° | 179.8° |
| N3 | C22 | C23 | C25 | 2.1° | 0.3° |
| C22 | N3 | C21 | C26 | 0.6° | 0.1° |
| C22 | N3 | C21 | C9 | 179.0° | 180.0° |
| C23 | C22 | N3 | C21 | 1.5° | 0.3° |
| C22 | C23 | C24 | C25 | 177.7° | 180.0° |
| C22 | C23 | C25 | C26 | 0.7° | 0.0° |
| C23 | C22 | N3 | H3 | 178.5° | 179.8° |
| C22 | C23 | C24 | H241 | 180.0° | 0.1° |
| C22 | C23 | C24 | H242 | 60.0° | 120.0° |
| C22 | C23 | C24 | H243 | 60.0° | 120.0° |
| C22 | C23 | C25 | H25 | 179.3° | 180.0° |
| N3 | C21 | C26 | C25 | 2.0° | 0.2° |
| N3 | C21 | C26 | C6 | 178.4° | 180.0° |
| N3 | C21 | C26 | C9 | 179.6° | 179.9° |
| N3 | C21 | C9 | C8 | 179.8° | 179.9° |
| N3 | C21 | C9 | N1 | 0.2° | 0.0° |
| C24 | C23 | C25 | C26 | 177.1° | 180.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.1° |
| C23 | C24 | H241 | H243 | 120.0° | 119.9° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | H25 | 3.0° | 0.1° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C6 | 179.0° | 180.0° |
| C23 | C25 | C26 | C21 | 1.4° | 0.2° |
| C25 | C23 | C24 | H241 | 2.3° | 180.0° |
| C25 | C23 | C24 | H242 | 122.3° | 59.9° |
| C25 | C23 | C24 | H243 | 117.8° | 60.1° |
| C25 | C26 | C6 | C21 | 179.6° | 179.8° |
| C25 | C26 | C6 | C4 | 7.3° | 0.0° |
| C25 | C26 | C6 | C7 | 176.9° | 180.0° |
| C25 | C26 | C21 | C9 | 177.6° | 179.7° |
| C26 | C6 | C4 | C7 | 175.8° | 180.0° |
| C26 | C6 | C4 | C3 | 52.5° | 50.0° |
| C26 | C6 | C4 | C5 | 128.1° | 129.8° |
| C6 | C26 | C21 | C9 | 2.0° | 0.1° |
| C26 | C6 | C7 | C8 | 1.5° | 0.5° |
| C6 | C26 | C25 | H25 | 1.0° | 0.0° |
| C26 | C6 | C7 | H7 | 178.4° | 180.0° |
| C21 | C26 | C6 | C4 | 173.1° | 179.8° |
| C21 | C26 | C6 | C7 | 2.7° | 0.2° |
| C26 | C21 | C9 | C8 | 0.2° | 0.0° |
| C26 | C21 | C9 | N1 | 179.4° | 179.9° |
| C26 | C21 | N3 | H3 | 179.4° | 180.0° |
| C21 | C26 | C25 | H25 | 178.6° | 179.8° |
| C6 | C4 | C3 | C5 | 179.4° | 179.7° |
| C6 | C4 | C3 | N | 179.7° | 180.0° |
| C6 | C4 | C5 | C1 | 179.7° | 179.8° |
| C4 | C6 | C7 | C8 | 174.5° | 179.5° |
| C4 | C6 | C7 | H7 | 5.6° | 0.0° |
| C6 | C4 | C3 | HA | 0.3° | 0.0° |
| C6 | C4 | C5 | H5 | 0.3° | 0.0° |
| C7 | C6 | C4 | C3 | 123.4° | 130.0° |
| C7 | C6 | C4 | C5 | 56.0° | 50.3° |
| C6 | C7 | C8 | C9 | 0.3° | 0.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.5° |
| C6 | C7 | C8 | H8 | 179.7° | 179.8° |
| C4 | C3 | N | HA | 180.0° | 180.0° |
| C4 | C3 | N | C2 | 0.1° | 0.0° |
| C3 | C4 | C5 | C1 | 0.3° | 0.5° |
| C3 | C4 | C5 | H5 | 179.7° | 179.7° |
| C5 | C4 | C3 | N | 0.3° | 0.3° |
| C4 | C5 | C1 | C2 | 0.0° | 0.5° |
| C4 | C5 | C1 | H5 | 180.0° | 179.8° |
| C4 | C5 | C1 | C | 179.8° | 179.7° |
| C5 | C4 | C3 | HA | 179.7° | 179.7° |
| C3 | N | C2 | C1 | 0.4° | 0.0° |
| C3 | N | C2 | H2 | 179.6° | 179.9° |
| N | C2 | C1 | H2 | 180.0° | 179.9° |
| N | C2 | C1 | C5 | 0.3° | 0.3° |
| N | C2 | C1 | C | 179.4° | 180.0° |
| C2 | N | C3 | HA | 179.9° | 180.0° |
| C2 | C1 | C5 | C | 179.7° | 179.8° |
| C2 | C1 | C5 | H5 | 180.0° | 179.7° |
| C2 | C1 | C | HC1 | 90.1° | 90.0° |
| C2 | C1 | C | HC2 | 149.8° | 150.0° |
| C2 | C1 | C | HC3 | 29.9° | 30.0° |
| C5 | C1 | C2 | H2 | 179.7° | 179.8° |
| C5 | C1 | C | HC1 | 90.2° | 89.8° |
| C5 | C1 | C | HC2 | 29.8° | 30.2° |
| C5 | C1 | C | HC3 | 149.8° | 150.2° |
| C | C1 | C5 | H5 | 0.3° | 0.0° |
| C | C1 | C2 | H2 | 0.6° | 0.1° |
| C1 | C | HC1 | HC2 | 120.0° | 120.1° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C21 | C9 | C8 | N1 | 179.6° | 179.9° |
| C21 | C9 | C8 | C7 | 0.9° | 0.3° |
| C21 | C9 | N1 | C10 | 171.2° | 180.0° |
| C9 | C21 | N3 | H3 | 1.0° | 0.1° |
| C21 | C9 | C8 | H8 | 179.1° | 179.9° |
| C21 | C9 | N1 | H1 | 48.9° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 179.6° |
| C8 | C9 | N1 | C10 | 8.4° | 0.1° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | N1 | H1 | 130.7° | 180.0° |
| N1 | C9 | C8 | C7 | 179.4° | 179.8° |
| C9 | N1 | C10 | H1 | 122.3° | 179.9° |
| C9 | N1 | C10 | C14 | 94.8° | 154.9° |
| C9 | N1 | C10 | C11 | 143.3° | 85.3° |
| N1 | C9 | C8 | H8 | 0.6° | 0.2° |
| C9 | N1 | C10 | H10 | 24.3° | 34.8° |
| N1 | C10 | C14 | C11 | 122.4° | 119.9° |
| N1 | C10 | C14 | H10 | 119.6° | 120.1° |
| N1 | C10 | C11 | H10 | 119.6° | 120.1° |
| N1 | C10 | C14 | C13 | 178.9° | 177.5° |
| N1 | C10 | C14 | O | 62.7° | 62.5° |
| N1 | C10 | C11 | C12 | 177.4° | 177.6° |
| N1 | C10 | C14 | H14 | 57.7° | 57.7° |
| N1 | C10 | C11 | H111 | 57.1° | 57.7° |
| N1 | C10 | C11 | H112 | 62.4° | 62.5° |
| C14 | C10 | C11 | H10 | 118.0° | 120.0° |
| C10 | C14 | C13 | O | 117.1° | 119.9° |
| C10 | C14 | C13 | H14 | 121.3° | 119.9° |
| C10 | C14 | O | H14 | 119.5° | 120.1° |
| C10 | C14 | C13 | N2 | 55.0° | 59.1° |
| C14 | C10 | C11 | C12 | 55.0° | 57.6° |
| C10 | C14 | O | C15 | 158.5° | 150.0° |
| C14 | C10 | N1 | H1 | 27.5° | 25.0° |
| C14 | C10 | C11 | H111 | 65.3° | 62.3° |
| C14 | C10 | C11 | H112 | 175.2° | 177.6° |
| C10 | C14 | C13 | H131 | 65.2° | 60.9° |
| C10 | C14 | C13 | H132 | 175.1° | 179.2° |
| C11 | C10 | C14 | C13 | 56.5° | 57.6° |
| C11 | C10 | C14 | O | 174.9° | 177.6° |
| C10 | C11 | C12 | N2 | 52.0° | 59.1° |
| C10 | C11 | C12 | H111 | 120.3° | 119.9° |
| C10 | C11 | C12 | H112 | 120.3° | 120.0° |
| C11 | C10 | N1 | H1 | 94.4° | 94.8° |
| C11 | C10 | C14 | H14 | 64.7° | 62.3° |
| C10 | C11 | H111 | H112 | 119.2° | 120.1° |
| C10 | C11 | C12 | H121 | 68.4° | 60.9° |
| C10 | C11 | C12 | H122 | 172.4° | 179.1° |
| C13 | C14 | O | H14 | 120.7° | 120.1° |
| C14 | C13 | N2 | H131 | 120.1° | 120.0° |
| C14 | C13 | N2 | H132 | 120.2° | 120.0° |
| C14 | C13 | N2 | C12 | 53.1° | 61.8° |
| C13 | C14 | O | C15 | 81.7° | 90.2° |
| C13 | C14 | C10 | H10 | 61.5° | 62.3° |
| C14 | C13 | H131 | H132 | 119.5° | 119.9° |
| C14 | C13 | N2 | HB | 174.0° | 174.1° |
| O | C14 | C13 | N2 | 172.1° | 179.1° |
| C14 | O | C15 | C16 | 166.5° | 180.0° |
| O | C14 | C10 | H10 | 57.0° | 57.6° |
| O | C14 | C13 | H131 | 51.9° | 59.1° |
| O | C14 | C13 | H132 | 67.7° | 60.8° |
| C14 | O | C15 | H151 | 47.0° | 60.0° |
| C14 | O | C15 | H152 | 73.9° | 60.0° |
| C13 | N2 | C12 | HB | 120.9° | 124.1° |
| C13 | N2 | C12 | C11 | 52.1° | 61.7° |
| N2 | C13 | C14 | H14 | 66.4° | 60.8° |
| N2 | C13 | H131 | H132 | 119.5° | 120.0° |
| C13 | N2 | C12 | H121 | 68.3° | 58.2° |
| C13 | N2 | C12 | H122 | 172.5° | 178.3° |
| N2 | C12 | C11 | H121 | 120.4° | 120.0° |
| N2 | C12 | C11 | H122 | 120.4° | 120.0° |
| N2 | C12 | C11 | H111 | 68.3° | 60.8° |
| N2 | C12 | C11 | H112 | 172.3° | 179.1° |
| C12 | N2 | C13 | H131 | 67.0° | 58.3° |
| C12 | N2 | C13 | H132 | 173.3° | 178.2° |
| N2 | C12 | H121 | H122 | 118.8° | 120.0° |
| C12 | C11 | C10 | H10 | 63.0° | 62.3° |
| C12 | C11 | H111 | H112 | 119.1° | 120.1° |
| C11 | C12 | N2 | HB | 173.0° | 174.1° |
| C11 | C12 | H121 | H122 | 118.8° | 120.0° |
| O | C15 | C16 | H151 | 119.6° | 120.0° |
| O | C15 | C16 | H152 | 119.6° | 120.0° |
| O | C15 | C16 | C20 | 173.3° | 175.0° |
| O | C15 | C16 | C17 | 65.7° | 63.9° |
| C15 | O | C14 | H14 | 39.0° | 29.9° |
| O | C15 | H151 | H152 | 121.2° | 120.0° |
| O | C15 | C16 | H16 | 54.1° | 55.6° |
| C15 | C16 | C20 | C17 | 122.1° | 120.3° |
| C15 | C16 | C20 | H16 | 119.3° | 119.5° |
| C15 | C16 | C17 | H16 | 119.9° | 119.5° |
| C15 | C16 | C20 | C19 | 177.0° | 169.7° |
| C15 | C16 | C17 | C18 | 176.9° | 169.7° |
| C16 | C15 | H151 | H152 | 121.2° | 120.0° |
| C15 | C16 | C20 | H201 | 62.5° | 70.1° |
| C15 | C16 | C20 | H202 | 56.6° | 49.6° |
| C15 | C16 | C17 | H171 | 56.1° | 49.6° |
| C15 | C16 | C17 | H172 | 62.2° | 70.1° |
| C20 | C16 | C17 | H16 | 118.5° | 120.2° |
| C16 | C20 | C19 | H201 | 120.4° | 120.2° |
| C16 | C20 | C19 | H202 | 120.5° | 120.2° |
| C16 | C20 | C19 | S | 63.2° | 63.7° |
| C20 | C16 | C17 | C18 | 61.5° | 70.0° |
| C20 | C16 | C15 | H151 | 67.1° | 64.9° |
| C20 | C16 | C15 | H152 | 53.7° | 55.0° |
| C16 | C20 | H201 | H202 | 118.5° | 119.7° |
| C20 | C16 | C17 | H171 | 177.6° | 169.8° |
| C20 | C16 | C17 | H172 | 59.4° | 50.2° |
| C16 | C20 | C19 | H191 | 176.7° | 176.5° |
| C16 | C20 | C19 | H192 | 56.9° | 56.2° |
| C17 | C16 | C20 | C19 | 60.8° | 70.0° |
| C16 | C17 | C18 | S | 61.8° | 63.7° |
| C16 | C17 | C18 | H171 | 120.9° | 120.1° |
| C16 | C17 | C18 | H172 | 120.8° | 120.2° |
| C17 | C16 | C15 | H151 | 53.9° | 56.2° |
| C17 | C16 | C15 | H152 | 174.8° | 176.1° |
| C17 | C16 | C20 | H201 | 59.6° | 50.2° |
| C17 | C16 | C20 | H202 | 178.7° | 169.9° |
| C16 | C17 | H171 | H172 | 117.3° | 119.7° |
| C16 | C17 | C18 | H181 | 178.2° | 176.5° |
| C16 | C17 | C18 | H182 | 58.1° | 56.2° |
| C20 | C19 | S | H191 | 120.1° | 119.9° |
| C20 | C19 | S | H192 | 120.1° | 119.8° |
| C20 | C19 | S | O1 | 171.4° | 168.6° |
| C20 | C19 | S | O2 | 58.1° | 60.2° |
| C20 | C19 | S | C18 | 56.6° | 54.3° |
| C19 | C20 | C16 | H16 | 57.7° | 50.2° |
| C19 | C20 | H201 | H202 | 118.6° | 119.7° |
| C20 | C19 | H191 | H192 | 119.6° | 120.3° |
| C19 | S | O1 | O2 | 125.3° | 125.2° |
| C19 | S | O1 | C18 | 109.3° | 109.4° |
| C19 | S | O2 | C18 | 109.2° | 109.5° |
| C19 | S | C18 | C17 | 54.8° | 54.3° |
| S | C19 | C20 | H201 | 57.3° | 56.5° |
| S | C19 | C20 | H202 | 176.4° | 176.2° |
| S | C19 | H191 | H192 | 119.5° | 120.2° |
| C19 | S | C18 | H181 | 174.7° | 174.2° |
| C19 | S | C18 | H182 | 65.2° | 65.6° |
| O1 | S | O2 | C18 | 125.4° | 125.3° |
| O1 | S | C18 | C17 | 169.7° | 168.6° |
| O1 | S | C19 | H191 | 68.5° | 71.5° |
| O1 | S | C19 | H192 | 51.2° | 48.8° |
| O1 | S | C18 | H181 | 70.4° | 71.5° |
| O1 | S | C18 | H182 | 49.7° | 48.8° |
| O2 | S | C18 | C17 | 59.8° | 60.1° |
| O2 | S | C19 | H191 | 62.0° | 59.7° |
| O2 | S | C19 | H192 | 178.3° | 180.0° |
| O2 | S | C18 | H181 | 60.1° | 59.8° |
| O2 | S | C18 | H182 | 179.8° | 179.9° |
| S | C18 | C17 | H181 | 120.0° | 119.9° |
| S | C18 | C17 | H182 | 120.0° | 119.9° |
| S | C18 | C17 | H171 | 177.3° | 176.2° |
| S | C18 | C17 | H172 | 59.0° | 56.5° |
| C18 | S | C19 | H191 | 176.7° | 174.2° |
| C18 | S | C19 | H192 | 63.6° | 65.5° |
| S | C18 | H181 | H182 | 120.1° | 120.2° |
| C18 | C17 | C16 | H16 | 57.0° | 50.2° |
| C18 | C17 | H171 | H172 | 117.3° | 119.7° |
| C17 | C18 | H181 | H182 | 120.1° | 120.2° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.3° |
| HC1 | C | HC2 | HC3 | 120.0° | 119.9° |
| H1 | N1 | C10 | H10 | 146.6° | 145.1° |
| H10 | C10 | C14 | H14 | 177.3° | 177.8° |
| H10 | C10 | C11 | H111 | 176.7° | 177.7° |
| H10 | C10 | C11 | H112 | 57.2° | 57.6° |
| H14 | C14 | C13 | H131 | 173.5° | 179.2° |
| H14 | C14 | C13 | H132 | 53.8° | 59.3° |
| H111 | C11 | C12 | H121 | 171.3° | 179.2° |
| H111 | C11 | C12 | H122 | 52.1° | 59.2° |
| H112 | C11 | C12 | H121 | 51.9° | 59.1° |
| H112 | C11 | C12 | H122 | 67.3° | 60.9° |
| H131 | C13 | N2 | HB | 53.8° | 65.9° |
| H132 | C13 | N2 | HB | 65.8° | 54.1° |
| HB | N2 | C12 | H121 | 52.6° | 65.9° |
| HB | N2 | C12 | H122 | 66.7° | 54.1° |
| H151 | C15 | C16 | H16 | 173.7° | 175.6° |
| H152 | C15 | C16 | H16 | 65.5° | 64.4° |
| H16 | C16 | C20 | H201 | 178.2° | 170.4° |
| H16 | C16 | C20 | H202 | 62.8° | 69.9° |
| H16 | C16 | C17 | H171 | 63.8° | 69.9° |
| H16 | C16 | C17 | H172 | 177.9° | 170.4° |
| H201 | C20 | C19 | H191 | 62.8° | 63.3° |
| H201 | C20 | C19 | H192 | 177.4° | 176.3° |
| H202 | C20 | C19 | H191 | 56.3° | 56.3° |
| H202 | C20 | C19 | H192 | 63.5° | 64.0° |
| H171 | C17 | C18 | H181 | 57.3° | 56.3° |
| H171 | C17 | C18 | H182 | 62.8° | 63.9° |
| H172 | C17 | C18 | H181 | 61.0° | 63.3° |
| H172 | C17 | C18 | H182 | 179.0° | 176.4° |
