RYB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C7 | C28 | sing | 1.42Å | 1.43Å | Aromatic |
| C4 | O | sing | 1.36Å | 1.38Å | |
| C4 | C29 | doub | 1.37Å | 1.37Å | Aromatic |
| O | C3 | sing | 1.43Å | 1.44Å | |
| N1 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C | N | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.44Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.55Å | 1.53Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N2 | C27 | sing | 1.35Å | 1.36Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C27 | C13 | sing | 1.51Å | 1.53Å | |
| C27 | O3 | doub | 1.21Å | 1.21Å | |
| C13 | C14 | sing | 1.52Å | 1.55Å | |
| C13 | C21 | sing | 1.50Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| C25 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C26 | sing | 1.47Å | 1.47Å | |
| C22 | S | sing | 1.81Å | 1.78Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | S | sing | 1.66Å | 1.63Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| CL | C19 | sing | 1.74Å | 1.74Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N4 | trip | 1.14Å | 1.14Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 120.8° | 119.6° |
| C6 | C5 | C4 | 120.3° | 121.0° |
| C6 | C5 | H1 | 119.9° | 119.5° |
| C5 | C6 | H2 | 119.6° | 120.2° |
| C6 | C7 | C8 | 123.2° | 121.9° |
| C6 | C7 | C28 | 119.0° | 119.4° |
| C7 | C6 | H2 | 119.6° | 120.2° |
| C5 | C4 | O | 115.1° | 119.6° |
| C5 | C4 | C29 | 121.1° | 120.9° |
| C4 | C5 | H1 | 119.9° | 119.5° |
| C7 | C8 | N1 | 124.1° | 120.2° |
| C8 | C7 | C28 | 117.8° | 118.7° |
| C7 | C8 | H3 | 118.0° | 119.9° |
| C8 | N1 | C9 | 117.4° | 122.9° |
| N1 | C8 | H3 | 117.9° | 119.9° |
| C7 | C28 | C29 | 118.6° | 119.7° |
| C7 | C28 | C10 | 118.0° | 118.2° |
| O | C4 | C29 | 123.8° | 119.5° |
| C4 | O | C3 | 118.8° | 117.0° |
| C4 | C29 | C28 | 120.3° | 119.4° |
| C4 | C29 | H22 | 119.9° | 120.3° |
| O | C3 | C2 | 108.9° | 109.5° |
| O | C3 | H23 | 109.6° | 109.5° |
| O | C3 | H24 | 109.6° | 109.4° |
| N1 | C9 | C10 | 125.4° | 121.5° |
| N1 | C9 | H21 | 117.3° | 119.2° |
| C3 | C2 | N | 113.7° | 109.5° |
| C2 | C3 | H23 | 109.6° | 109.5° |
| C2 | C3 | H24 | 109.6° | 109.5° |
| C3 | C2 | H25 | 108.4° | 109.5° |
| C3 | C2 | H26 | 108.4° | 109.5° |
| C2 | N | C | 111.1° | 111.0° |
| C2 | N | C1 | 110.5° | 111.1° |
| N | C2 | H25 | 108.4° | 109.4° |
| N | C2 | H26 | 108.4° | 109.5° |
| C29 | C28 | C10 | 123.4° | 122.1° |
| C28 | C29 | H22 | 119.8° | 120.3° |
| C28 | C10 | C9 | 117.3° | 118.5° |
| C28 | C10 | N2 | 123.5° | 120.8° |
| C | N | C1 | 110.0° | 111.0° |
| N | C | H31 | 109.5° | 109.5° |
| N | C | H32 | 109.5° | 109.5° |
| N | C | H33 | 109.4° | 109.4° |
| C9 | C10 | N2 | 119.0° | 120.8° |
| C10 | C9 | H21 | 117.3° | 119.3° |
| C10 | N2 | C11 | 122.2° | 124.4° |
| C10 | N2 | C27 | 125.0° | 124.4° |
| N2 | C11 | C12 | 103.5° | 105.5° |
| C11 | N2 | C27 | 112.8° | 111.3° |
| N2 | C11 | H19 | 110.9° | 110.2° |
| N2 | C11 | H20 | 110.9° | 110.2° |
| C11 | C12 | C13 | 104.1° | 101.7° |
| C11 | C12 | H17 | 110.8° | 110.9° |
| C11 | C12 | H18 | 110.8° | 111.0° |
| C12 | C11 | H19 | 110.9° | 110.3° |
| C12 | C11 | H20 | 110.9° | 110.3° |
| N | C1 | H28 | 109.5° | 109.4° |
| N | C1 | H29 | 109.5° | 109.5° |
| N | C1 | H30 | 109.5° | 109.5° |
| N2 | C27 | C13 | 108.3° | 110.0° |
| N2 | C27 | O3 | 125.5° | 125.0° |
| C12 | C13 | C27 | 101.7° | 104.6° |
| C12 | C13 | C14 | 112.3° | 109.9° |
| C12 | C13 | C21 | 115.3° | 109.7° |
| C13 | C12 | H17 | 110.8° | 111.1° |
| C13 | C12 | H18 | 110.8° | 111.0° |
| C13 | C27 | O3 | 126.1° | 125.0° |
| C27 | C13 | C14 | 107.2° | 110.4° |
| C27 | C13 | C21 | 108.3° | 110.3° |
| C14 | C13 | C21 | 111.2° | 111.7° |
| C13 | C14 | N3 | 109.0° | 107.9° |
| C13 | C14 | H15 | 109.6° | 109.8° |
| C13 | C14 | H16 | 109.6° | 109.8° |
| C13 | C21 | C20 | 119.8° | 117.9° |
| C13 | C21 | C16 | 120.4° | 122.6° |
| C25 | C24 | C23 | 60.7° | 60.0° |
| C24 | C25 | C23 | 60.7° | 60.0° |
| C25 | C24 | H10 | 119.9° | 117.5° |
| C25 | C24 | H11 | 119.9° | 117.5° |
| C24 | C25 | H13 | 119.9° | 117.5° |
| C24 | C25 | H14 | 119.9° | 117.5° |
| C24 | C23 | C25 | 58.6° | 60.0° |
| C24 | C23 | C22 | 121.0° | 117.4° |
| C24 | C23 | C26 | 119.3° | 117.5° |
| C23 | C24 | H10 | 119.9° | 117.5° |
| C23 | C24 | H11 | 119.9° | 117.6° |
| C14 | N3 | S | 124.1° | 121.3° |
| C14 | N3 | C15 | 113.2° | 117.4° |
| N3 | C14 | H15 | 109.6° | 109.9° |
| N3 | C14 | H16 | 109.6° | 109.7° |
| O1 | S | C22 | 108.1° | 110.5° |
| O1 | S | N3 | 107.2° | 104.3° |
| O1 | S | O2 | 119.2° | 121.0° |
| C25 | C23 | C22 | 120.0° | 117.5° |
| C25 | C23 | C26 | 116.7° | 117.6° |
| C23 | C25 | H13 | 119.9° | 117.4° |
| C23 | C25 | H14 | 119.9° | 117.5° |
| C22 | C23 | C26 | 111.8° | 115.5° |
| C23 | C22 | S | 120.0° | 109.4° |
| C23 | C22 | H8 | 106.8° | 109.4° |
| C23 | C22 | H9 | 106.7° | 109.5° |
| C23 | C26 | N4 | 177.5° | 179.9° |
| C22 | S | N3 | 105.9° | 104.4° |
| C22 | S | O2 | 108.6° | 110.6° |
| S | C22 | H8 | 106.8° | 109.5° |
| S | C22 | H9 | 106.8° | 109.5° |
| C21 | C20 | C19 | 119.4° | 120.7° |
| C20 | C21 | C16 | 119.7° | 119.4° |
| C21 | C20 | H7 | 120.3° | 119.7° |
| C20 | C19 | CL | 119.0° | 120.2° |
| C20 | C19 | C18 | 121.7° | 119.7° |
| C19 | C20 | H7 | 120.3° | 119.6° |
| C21 | C16 | C15 | 122.0° | 122.2° |
| C21 | C16 | C17 | 119.1° | 119.8° |
| S | N3 | C15 | 121.3° | 121.3° |
| N3 | S | O2 | 107.2° | 104.3° |
| N3 | C15 | C16 | 111.3° | 109.9° |
| N3 | C15 | H4 | 109.0° | 109.4° |
| N3 | C15 | H5 | 109.0° | 109.4° |
| CL | C19 | C18 | 119.3° | 120.1° |
| C19 | C18 | C17 | 119.0° | 119.7° |
| C19 | C18 | H12 | 120.5° | 120.1° |
| C15 | C16 | C17 | 118.9° | 117.9° |
| C16 | C15 | H4 | 109.0° | 109.4° |
| C16 | C15 | H5 | 109.0° | 109.4° |
| C16 | C17 | C18 | 121.1° | 120.6° |
| C16 | C17 | H6 | 119.5° | 119.7° |
| C18 | C17 | H6 | 119.4° | 119.7° |
| C17 | C18 | H12 | 120.5° | 120.2° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 115.6° |
| H13 | C25 | H14 | 109.4° | 115.5° |
| H15 | C14 | H16 | 109.4° | 109.8° |
| H17 | C12 | H18 | 109.5° | 110.9° |
| H19 | C11 | H20 | 109.5° | 110.3° |
| H23 | C3 | H24 | 109.5° | 109.4° |
| H25 | C2 | H26 | 109.4° | 109.5° |
| H28 | C1 | H29 | 109.5° | 109.4° |
| H28 | C1 | H30 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H31 | C | H33 | 109.4° | 109.4° |
| H32 | C | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 178.4° | 179.9° |
| C5 | C6 | C7 | C28 | 0.2° | 0.0° |
| C6 | C5 | C4 | O | 179.6° | 180.0° |
| C6 | C5 | C4 | C29 | 0.1° | 0.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C6 | C7 | C8 | C28 | 178.1° | 179.9° |
| C6 | C7 | C8 | N1 | 178.5° | 180.0° |
| C6 | C7 | C28 | C29 | 0.2° | 0.0° |
| C6 | C7 | C28 | C10 | 177.9° | 180.0° |
| C7 | C6 | C5 | H1 | 179.8° | 180.0° |
| C6 | C7 | C8 | H3 | 1.5° | 0.0° |
| C5 | C4 | O | C29 | 179.7° | 180.0° |
| C5 | C4 | O | C3 | 168.8° | 0.0° |
| C5 | C4 | C29 | C28 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | C29 | H22 | 179.8° | 180.0° |
| C7 | C8 | N1 | H3 | 180.0° | 180.0° |
| C7 | C8 | N1 | C9 | 0.3° | 0.0° |
| C8 | C7 | C28 | C29 | 178.5° | 180.0° |
| C8 | C7 | C28 | C10 | 0.3° | 0.1° |
| C8 | C7 | C6 | H2 | 1.7° | 0.1° |
| N1 | C8 | C7 | C28 | 0.4° | 0.0° |
| C8 | N1 | C9 | C10 | 0.6° | 0.0° |
| C8 | N1 | C9 | H21 | 179.4° | 180.0° |
| C7 | C28 | C29 | C4 | 0.2° | 0.0° |
| C7 | C28 | C29 | C10 | 178.0° | 179.9° |
| C7 | C28 | C10 | C9 | 1.1° | 0.1° |
| C7 | C28 | C10 | N2 | 173.6° | 180.0° |
| C28 | C7 | C6 | H2 | 179.8° | 180.0° |
| C28 | C7 | C8 | H3 | 179.6° | 180.0° |
| C7 | C28 | C29 | H22 | 179.8° | 180.0° |
| C4 | O | C3 | C2 | 162.0° | 180.0° |
| O | C4 | C29 | C28 | 179.6° | 180.0° |
| O | C4 | C5 | H1 | 0.4° | 0.0° |
| O | C4 | C29 | H22 | 0.4° | 0.0° |
| C4 | O | C3 | H23 | 42.1° | 59.9° |
| C4 | O | C3 | H24 | 78.0° | 60.0° |
| C29 | C4 | O | C3 | 10.9° | 180.0° |
| C4 | C29 | C28 | H22 | 180.0° | 180.0° |
| C4 | C29 | C28 | C10 | 177.8° | 180.0° |
| C29 | C4 | C5 | H1 | 179.8° | 180.0° |
| O | C3 | C2 | H23 | 119.9° | 120.1° |
| O | C3 | C2 | H24 | 119.9° | 119.9° |
| O | C3 | C2 | N | 103.5° | 65.1° |
| O | C3 | H23 | H24 | 120.2° | 119.9° |
| O | C3 | C2 | H25 | 17.2° | 175.0° |
| O | C3 | C2 | H26 | 135.9° | 55.0° |
| N1 | C9 | C10 | C28 | 1.3° | 0.0° |
| N1 | C9 | C10 | H21 | 180.0° | 180.0° |
| N1 | C9 | C10 | N2 | 173.7° | 180.0° |
| C9 | N1 | C8 | H3 | 179.7° | 180.0° |
| C3 | C2 | N | H25 | 120.6° | 120.0° |
| C3 | C2 | N | H26 | 120.6° | 120.0° |
| C3 | C2 | N | C | 118.6° | 170.0° |
| C3 | C2 | N | C1 | 118.9° | 66.0° |
| C2 | C3 | H23 | H24 | 120.2° | 120.0° |
| C3 | C2 | H25 | H26 | 118.0° | 120.0° |
| C2 | N | C | C1 | 122.7° | 124.1° |
| N | C2 | C3 | H23 | 136.6° | 55.0° |
| N | C2 | C3 | H24 | 16.5° | 175.0° |
| N | C2 | H25 | H26 | 118.1° | 120.0° |
| C2 | N | C1 | H28 | 180.0° | 60.0° |
| C2 | N | C1 | H29 | 60.0° | 180.0° |
| C2 | N | C1 | H30 | 60.0° | 59.9° |
| C2 | N | C | H31 | 180.0° | 59.9° |
| C2 | N | C | H32 | 60.0° | 180.0° |
| C2 | N | C | H33 | 60.0° | 60.0° |
| C29 | C28 | C10 | C9 | 179.1° | 180.0° |
| C29 | C28 | C10 | N2 | 4.4° | 0.0° |
| C28 | C10 | C9 | N2 | 175.0° | 179.9° |
| C28 | C10 | N2 | C11 | 88.4° | 90.0° |
| C28 | C10 | N2 | C27 | 93.7° | 90.1° |
| C28 | C10 | C9 | H21 | 178.7° | 180.0° |
| C10 | C28 | C29 | H22 | 2.2° | 0.1° |
| C | N | C2 | H25 | 2.0° | 70.0° |
| C | N | C2 | H26 | 120.7° | 49.9° |
| C | N | C1 | H28 | 56.9° | 64.0° |
| C | N | C1 | H29 | 63.1° | 55.9° |
| C | N | C1 | H30 | 176.9° | 176.0° |
| N | C | H31 | H32 | 120.0° | 120.1° |
| N | C | H31 | H33 | 120.0° | 120.0° |
| N | C | H32 | H33 | 120.0° | 120.0° |
| C9 | C10 | N2 | C11 | 96.9° | 90.0° |
| C9 | C10 | N2 | C27 | 80.9° | 90.0° |
| C10 | N2 | C11 | C27 | 178.1° | 180.0° |
| C10 | N2 | C11 | C12 | 164.4° | 163.0° |
| C10 | N2 | C27 | C13 | 175.8° | 179.3° |
| C10 | N2 | C27 | O3 | 6.0° | 0.6° |
| C10 | N2 | C11 | H19 | 76.5° | 78.0° |
| C10 | N2 | C11 | H20 | 45.4° | 44.0° |
| N2 | C10 | C9 | H21 | 6.3° | 0.0° |
| N2 | C11 | C12 | H19 | 119.0° | 119.0° |
| N2 | C11 | C12 | H20 | 119.0° | 119.0° |
| N2 | C11 | C12 | C13 | 27.2° | 25.1° |
| C11 | N2 | C27 | C13 | 6.2° | 0.6° |
| C11 | N2 | C27 | O3 | 172.0° | 179.4° |
| N2 | C11 | C12 | H17 | 146.4° | 143.3° |
| N2 | C11 | C12 | H18 | 91.9° | 93.0° |
| N2 | C11 | H19 | H20 | 122.8° | 121.9° |
| C12 | C11 | N2 | C27 | 13.6° | 16.9° |
| C11 | C12 | C13 | H17 | 119.1° | 118.1° |
| C11 | C12 | C13 | H18 | 119.1° | 118.1° |
| C11 | C12 | C13 | C27 | 30.3° | 24.5° |
| C11 | C12 | C13 | C14 | 84.1° | 143.0° |
| C11 | C12 | C13 | C21 | 147.2° | 93.9° |
| C11 | C12 | H17 | H18 | 122.5° | 123.8° |
| C12 | C11 | H19 | H20 | 122.8° | 122.0° |
| C1 | N | C2 | H25 | 120.4° | 54.0° |
| C1 | N | C2 | H26 | 1.7° | 174.0° |
| N | C1 | H28 | H29 | 120.0° | 120.0° |
| N | C1 | H28 | H30 | 120.0° | 120.0° |
| N | C1 | H29 | H30 | 120.0° | 120.1° |
| C1 | N | C | H31 | 57.3° | 176.0° |
| C1 | N | C | H32 | 177.3° | 55.9° |
| C1 | N | C | H33 | 62.7° | 64.0° |
| N2 | C27 | C13 | C12 | 23.0° | 15.9° |
| N2 | C27 | C13 | O3 | 178.2° | 180.0° |
| N2 | C27 | C13 | C14 | 95.1° | 134.0° |
| N2 | C27 | C13 | C21 | 144.8° | 101.9° |
| C27 | N2 | C11 | H19 | 105.4° | 102.1° |
| C27 | N2 | C11 | H20 | 132.7° | 136.0° |
| C12 | C13 | C27 | C14 | 118.1° | 118.1° |
| C12 | C13 | C27 | C21 | 121.9° | 117.8° |
| C12 | C13 | C27 | O3 | 155.2° | 164.1° |
| C12 | C13 | C14 | C21 | 130.8° | 121.9° |
| C12 | C13 | C14 | N3 | 179.8° | 168.6° |
| C12 | C13 | C21 | C20 | 34.1° | 38.7° |
| C12 | C13 | C21 | C16 | 150.9° | 141.6° |
| C12 | C13 | C14 | H15 | 60.3° | 48.9° |
| C12 | C13 | C14 | H16 | 59.8° | 71.9° |
| C13 | C12 | H17 | H18 | 122.5° | 123.9° |
| C13 | C12 | C11 | H19 | 91.8° | 93.9° |
| C13 | C12 | C11 | H20 | 146.2° | 144.1° |
| C27 | C13 | C14 | C21 | 118.2° | 123.2° |
| C27 | C13 | C14 | N3 | 69.3° | 76.5° |
| C27 | C13 | C21 | C20 | 79.1° | 76.0° |
| C27 | C13 | C21 | C16 | 96.0° | 103.7° |
| C27 | C13 | C14 | H15 | 50.7° | 163.8° |
| C27 | C13 | C14 | H16 | 170.8° | 43.0° |
| C27 | C13 | C12 | H17 | 149.4° | 142.5° |
| C27 | C13 | C12 | H18 | 88.8° | 93.7° |
| O3 | C27 | C13 | C14 | 86.7° | 45.9° |
| O3 | C27 | C13 | C21 | 33.3° | 78.1° |
| C13 | C14 | N3 | H15 | 119.9° | 119.7° |
| C13 | C14 | N3 | H16 | 119.9° | 119.5° |
| C14 | C13 | C21 | C20 | 163.3° | 160.7° |
| C14 | C13 | C21 | C16 | 21.6° | 19.6° |
| C13 | C14 | N3 | S | 126.8° | 116.4° |
| C13 | C14 | N3 | C15 | 66.5° | 63.3° |
| C13 | C14 | H15 | H16 | 120.2° | 120.8° |
| C14 | C13 | C12 | H17 | 35.1° | 99.0° |
| C14 | C13 | C12 | H18 | 156.8° | 24.8° |
| C21 | C13 | C14 | N3 | 49.0° | 46.7° |
| C13 | C21 | C20 | C16 | 175.1° | 179.7° |
| C13 | C21 | C20 | C19 | 172.2° | 179.4° |
| C13 | C21 | C16 | C15 | 7.4° | 1.2° |
| C13 | C21 | C16 | C17 | 173.0° | 179.1° |
| C13 | C21 | C20 | H7 | 7.8° | 0.4° |
| C21 | C13 | C14 | H15 | 168.9° | 73.0° |
| C21 | C13 | C14 | H16 | 71.0° | 166.2° |
| C21 | C13 | C12 | H17 | 93.6° | 24.2° |
| C21 | C13 | C12 | H18 | 28.1° | 148.0° |
| C25 | C24 | C23 | H10 | 109.6° | 107.5° |
| C25 | C24 | C23 | H11 | 109.6° | 107.4° |
| C24 | C25 | C23 | H13 | 109.7° | 107.5° |
| C24 | C25 | C23 | H14 | 109.7° | 107.5° |
| C25 | C24 | C23 | C22 | 108.4° | 107.5° |
| C25 | C24 | C23 | C26 | 105.1° | 107.6° |
| C25 | C24 | H10 | H11 | 144.3° | 145.6° |
| C24 | C25 | H13 | H14 | 144.3° | 145.8° |
| C24 | C23 | C22 | C26 | 148.7° | 145.7° |
| C24 | C23 | C22 | S | 117.0° | 180.0° |
| C24 | C23 | C26 | N4 | 118.9° | 45.6° |
| C24 | C23 | C22 | H8 | 4.5° | 60.0° |
| C24 | C23 | C22 | H9 | 121.6° | 60.0° |
| C23 | C24 | H10 | H11 | 144.4° | 145.8° |
| C14 | N3 | S | O1 | 20.7° | 20.1° |
| C14 | N3 | S | C22 | 94.5° | 96.0° |
| C14 | N3 | S | C15 | 165.7° | 179.7° |
| C14 | N3 | S | O2 | 149.8° | 148.0° |
| C14 | N3 | C15 | C16 | 50.5° | 44.2° |
| C14 | N3 | C15 | H4 | 170.7° | 164.3° |
| C14 | N3 | C15 | H5 | 69.8° | 75.8° |
| N3 | C14 | H15 | H16 | 120.2° | 120.7° |
| O1 | S | C22 | C23 | 64.9° | 75.6° |
| O1 | S | C22 | N3 | 114.6° | 111.6° |
| O1 | S | C22 | O2 | 130.6° | 136.8° |
| O1 | S | N3 | O2 | 129.0° | 127.9° |
| O1 | S | N3 | C15 | 144.9° | 159.6° |
| O1 | S | C22 | H8 | 56.6° | 44.3° |
| O1 | S | C22 | H9 | 173.7° | 164.4° |
| C25 | C23 | C22 | C26 | 142.0° | 145.8° |
| C25 | C23 | C22 | S | 47.8° | 111.4° |
| C25 | C23 | C26 | N4 | 173.9° | 23.0° |
| C25 | C23 | C22 | H8 | 73.7° | 128.6° |
| C25 | C23 | C22 | H9 | 169.2° | 8.6° |
| C23 | C25 | H13 | H14 | 144.4° | 145.6° |
| C23 | C22 | S | H8 | 121.5° | 120.0° |
| C23 | C22 | S | H9 | 121.4° | 120.0° |
| C23 | C22 | S | N3 | 179.5° | 172.8° |
| C23 | C22 | S | O2 | 65.7° | 61.2° |
| C22 | C23 | C26 | N4 | 30.5° | 168.7° |
| C23 | C22 | H8 | H9 | 115.2° | 120.0° |
| C22 | C23 | C24 | H10 | 1.2° | 145.1° |
| C22 | C23 | C24 | H11 | 141.9° | 0.0° |
| C22 | C23 | C25 | H13 | 140.2° | 145.0° |
| C22 | C23 | C25 | H14 | 0.5° | 0.1° |
| C26 | C23 | C22 | S | 94.3° | 34.3° |
| C26 | C23 | C22 | H8 | 144.3° | 85.7° |
| C26 | C23 | C22 | H9 | 27.2° | 154.3° |
| C26 | C23 | C24 | H10 | 145.3° | 0.1° |
| C26 | C23 | C24 | H11 | 4.5° | 145.0° |
| C26 | C23 | C25 | H13 | 0.1° | 0.0° |
| C26 | C23 | C25 | H14 | 140.8° | 145.0° |
| C22 | S | N3 | O2 | 115.7° | 116.1° |
| C22 | S | N3 | C15 | 99.8° | 84.3° |
| S | C22 | H8 | H9 | 115.3° | 120.0° |
| C21 | C20 | C19 | H7 | 180.0° | 179.8° |
| C21 | C20 | C19 | CL | 178.4° | 180.0° |
| C21 | C20 | C19 | C18 | 1.5° | 0.1° |
| C20 | C21 | C16 | C15 | 177.5° | 179.1° |
| C20 | C21 | C16 | C17 | 2.0° | 0.6° |
| C19 | C20 | C21 | C16 | 2.9° | 0.3° |
| C20 | C19 | CL | C18 | 179.9° | 179.9° |
| C20 | C19 | C18 | C17 | 0.9° | 0.2° |
| C20 | C19 | C18 | H12 | 179.2° | 179.7° |
| C21 | C16 | C15 | N3 | 20.3° | 11.6° |
| C21 | C16 | C15 | C17 | 179.5° | 179.8° |
| C21 | C16 | C17 | C18 | 0.3° | 0.5° |
| C21 | C16 | C15 | H4 | 140.6° | 131.7° |
| C21 | C16 | C15 | H5 | 99.9° | 108.5° |
| C21 | C16 | C17 | H6 | 179.7° | 179.6° |
| C16 | C21 | C20 | H7 | 177.1° | 179.9° |
| S | N3 | C15 | C16 | 142.4° | 135.5° |
| S | N3 | C15 | H4 | 22.2° | 15.4° |
| S | N3 | C15 | H5 | 97.3° | 104.4° |
| N3 | S | C22 | H8 | 58.0° | 67.3° |
| N3 | S | C22 | H9 | 59.1° | 52.8° |
| S | N3 | C14 | H15 | 6.9° | 123.9° |
| S | N3 | C14 | H16 | 113.2° | 3.1° |
| C15 | N3 | S | O2 | 15.9° | 31.8° |
| N3 | C15 | C16 | H4 | 120.3° | 120.1° |
| N3 | C15 | C16 | H5 | 120.3° | 120.1° |
| N3 | C15 | C16 | C17 | 160.1° | 168.6° |
| N3 | C15 | H4 | H5 | 119.2° | 119.9° |
| C15 | N3 | C14 | H15 | 173.6° | 56.3° |
| C15 | N3 | C14 | H16 | 53.5° | 177.2° |
| O2 | S | C22 | H8 | 172.8° | 178.9° |
| O2 | S | C22 | H9 | 55.8° | 58.9° |
| CL | C19 | C18 | C17 | 179.3° | 179.9° |
| CL | C19 | C20 | H7 | 1.6° | 0.3° |
| CL | C19 | C18 | H12 | 0.7° | 0.2° |
| C19 | C18 | C17 | C16 | 1.7° | 0.1° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H6 | 178.2° | 180.0° |
| C18 | C19 | C20 | H7 | 178.5° | 179.7° |
| C15 | C16 | C17 | C18 | 179.8° | 179.2° |
| C16 | C15 | H4 | H5 | 119.1° | 119.8° |
| C15 | C16 | C17 | H6 | 0.1° | 0.7° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C17 | C16 | C15 | H4 | 39.8° | 48.5° |
| C17 | C16 | C15 | H5 | 79.6° | 71.3° |
| C16 | C17 | C18 | H12 | 178.3° | 179.9° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H6 | C17 | C18 | H12 | 1.8° | 0.0° |
| H10 | C24 | C25 | H13 | 140.6° | 0.1° |
| H10 | C24 | C25 | H14 | 0.0° | 145.0° |
| H11 | C24 | C25 | H13 | 0.0° | 145.0° |
| H11 | C24 | C25 | H14 | 140.6° | 0.1° |
| H17 | C12 | C11 | H19 | 27.4° | 24.3° |
| H17 | C12 | C11 | H20 | 94.6° | 97.7° |
| H18 | C12 | C11 | H19 | 149.1° | 148.0° |
| H18 | C12 | C11 | H20 | 27.1° | 26.0° |
| H23 | C3 | C2 | H25 | 102.7° | 64.9° |
| H23 | C3 | C2 | H26 | 16.0° | 175.1° |
| H24 | C3 | C2 | H25 | 137.1° | 55.0° |
| H24 | C3 | C2 | H26 | 104.2° | 65.0° |
| H28 | C1 | H29 | H30 | 120.0° | 120.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
