MUQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | N2 | sing | 1.35Å | 1.37Å | |
| C3 | N1 | sing | 1.35Å | 1.36Å | |
| N2 | C4 | sing | 1.47Å | 1.48Å | |
| C8 | N1 | sing | 1.48Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| O5 | S | doub | 1.42Å | 1.43Å | |
| C18 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C | sing | 1.51Å | 1.53Å | |
| C10 | N5 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C | O | doub | 1.21Å | 1.22Å | |
| C19 | S | sing | 1.76Å | 1.76Å | |
| C19 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| O3 | C30 | sing | 1.36Å | 1.37Å | |
| S | N5 | sing | 1.66Å | 1.62Å | |
| S | O4 | doub | 1.42Å | 1.43Å | |
| C23 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.50Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.47Å | |
| C29 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N3 | doub | 1.30Å | 1.34Å | |
| C15 | N4 | sing | 1.38Å | 1.28Å | |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C28 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| O3 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | N2 | 119.1° | 120.0° |
| O1 | C3 | N1 | 120.3° | 120.0° |
| N2 | C3 | N1 | 120.6° | 120.0° |
| C3 | N2 | C4 | 135.0° | 120.0° |
| C3 | N2 | H29 | 112.5° | 120.0° |
| C3 | N1 | C8 | 111.7° | 120.6° |
| C3 | N1 | C2 | 123.3° | 120.7° |
| N2 | C4 | H5 | 109.5° | 109.5° |
| N2 | C4 | H6 | 109.4° | 109.4° |
| N2 | C4 | H7 | 109.4° | 109.4° |
| C4 | N2 | H29 | 112.5° | 120.0° |
| N1 | C8 | C9 | 110.3° | 108.7° |
| C8 | N1 | C2 | 112.6° | 118.7° |
| N1 | C8 | H25 | 109.3° | 109.6° |
| N1 | C8 | H26 | 109.3° | 109.6° |
| C8 | C9 | N | 110.0° | 108.7° |
| C9 | C8 | H25 | 109.3° | 109.6° |
| C9 | C8 | H26 | 109.3° | 109.5° |
| C8 | C9 | H27 | 109.3° | 109.6° |
| C8 | C9 | H28 | 109.3° | 109.6° |
| N1 | C2 | C1 | 110.4° | 108.7° |
| N1 | C2 | H3 | 109.3° | 109.6° |
| N1 | C2 | H4 | 109.2° | 109.8° |
| C9 | N | C1 | 113.0° | 118.8° |
| C9 | N | C | 128.3° | 120.6° |
| N | C9 | H27 | 109.3° | 109.5° |
| N | C9 | H28 | 109.3° | 109.7° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C21 | C20 | C19 | 118.9° | 120.3° |
| C21 | C20 | H12 | 120.5° | 119.9° |
| C20 | C21 | H13 | 119.7° | 120.0° |
| C21 | C22 | C23 | 120.9° | 119.8° |
| C22 | C21 | H13 | 119.7° | 119.9° |
| C21 | C22 | H14 | 119.5° | 120.1° |
| C2 | C1 | N | 110.0° | 108.8° |
| C2 | C1 | H1 | 109.3° | 109.6° |
| C2 | C1 | H2 | 109.3° | 109.6° |
| C1 | C2 | H3 | 109.2° | 109.6° |
| C1 | C2 | H4 | 109.2° | 109.5° |
| C20 | C19 | S | 119.8° | 120.0° |
| C20 | C19 | C32 | 121.3° | 120.1° |
| C19 | C20 | H12 | 120.6° | 119.9° |
| C10 | C11 | C12 | 113.1° | 109.5° |
| C11 | C10 | C | 110.8° | 109.5° |
| C11 | C10 | N5 | 110.6° | 109.4° |
| C11 | C10 | H15 | 107.4° | 109.5° |
| C10 | C11 | H16 | 108.6° | 109.5° |
| C10 | C11 | H17 | 108.6° | 109.5° |
| C11 | C12 | C18 | 121.2° | 119.9° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H16 | 108.6° | 109.4° |
| C12 | C11 | H17 | 108.6° | 109.4° |
| C1 | N | C | 118.6° | 120.6° |
| N | C1 | H1 | 109.4° | 109.6° |
| N | C1 | H2 | 109.3° | 109.6° |
| N | C | C10 | 118.3° | 120.0° |
| N | C | O | 121.2° | 120.0° |
| O5 | S | C19 | 108.5° | 106.5° |
| O5 | S | N5 | 106.0° | 106.4° |
| O5 | S | O4 | 119.9° | 123.2° |
| C12 | C18 | C17 | 120.7° | 120.3° |
| C18 | C12 | C13 | 118.8° | 120.1° |
| C12 | C18 | H11 | 119.6° | 119.8° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C18 | C17 | H10 | 120.0° | 119.9° |
| C17 | C18 | H11 | 119.7° | 119.9° |
| C22 | C23 | C32 | 118.4° | 119.8° |
| C22 | C23 | C24 | 122.1° | 120.1° |
| C23 | C22 | H14 | 119.5° | 120.1° |
| C | C10 | N5 | 111.9° | 109.5° |
| C10 | C | O | 120.5° | 120.0° |
| C | C10 | H15 | 107.5° | 109.5° |
| C10 | N5 | S | 119.0° | 120.0° |
| N5 | C10 | H15 | 108.4° | 109.5° |
| C10 | N5 | H33 | 107.0° | 120.0° |
| C12 | C13 | C14 | 120.8° | 119.9° |
| C12 | C13 | H8 | 119.6° | 120.0° |
| S | C19 | C32 | 118.7° | 119.9° |
| C19 | S | N5 | 105.9° | 107.2° |
| C19 | S | O4 | 108.3° | 106.4° |
| C19 | C32 | C23 | 119.9° | 119.8° |
| C19 | C32 | H24 | 120.0° | 120.1° |
| C17 | C16 | C14 | 120.2° | 119.9° |
| C17 | C16 | H9 | 119.9° | 120.0° |
| C16 | C17 | H10 | 120.0° | 120.0° |
| O3 | C30 | C24 | 116.2° | 120.1° |
| O3 | C30 | C29 | 122.5° | 120.1° |
| C30 | O3 | H34 | 109.5° | 114.0° |
| N5 | S | O4 | 107.3° | 106.4° |
| S | N5 | H33 | 107.1° | 120.0° |
| C32 | C23 | C24 | 119.5° | 120.1° |
| C23 | C32 | H24 | 120.0° | 120.1° |
| C23 | C24 | C30 | 124.6° | 120.1° |
| C23 | C24 | C25 | 117.9° | 120.1° |
| C13 | C14 | C16 | 119.4° | 119.7° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C14 | C13 | H8 | 119.6° | 120.1° |
| C16 | C14 | C15 | 121.0° | 120.1° |
| C14 | C16 | H9 | 119.9° | 120.1° |
| C24 | C30 | C29 | 121.1° | 119.8° |
| C30 | C24 | C25 | 117.4° | 119.8° |
| C30 | C29 | C27 | 119.8° | 120.0° |
| C30 | C29 | H23 | 120.1° | 120.0° |
| C24 | C25 | C26 | 121.7° | 120.0° |
| C24 | C25 | H18 | 119.2° | 120.0° |
| C14 | C15 | N3 | 117.6° | 120.0° |
| C14 | C15 | N4 | 120.6° | 120.0° |
| C29 | C27 | C26 | 120.1° | 120.1° |
| C29 | C27 | O2 | 117.9° | 119.9° |
| C27 | C29 | H23 | 120.1° | 120.0° |
| C25 | C26 | C27 | 119.7° | 120.2° |
| C26 | C25 | H18 | 119.1° | 120.0° |
| C25 | C26 | H19 | 120.1° | 119.9° |
| N3 | C15 | N4 | 121.8° | 119.9° |
| C15 | N3 | H30 | 112.0° | 120.0° |
| C15 | N4 | H31 | 120.0° | 120.0° |
| C15 | N4 | H32 | 120.0° | 120.0° |
| C26 | C27 | O2 | 121.9° | 119.9° |
| C27 | C26 | H19 | 120.1° | 119.9° |
| C27 | O2 | C28 | 118.0° | 117.0° |
| O2 | C28 | H20 | 109.5° | 109.4° |
| O2 | C28 | H21 | 109.4° | 109.4° |
| O2 | C28 | H22 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.4° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H22 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H25 | C8 | H26 | 109.5° | 109.8° |
| H27 | C9 | H28 | 109.5° | 109.7° |
| H31 | N4 | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | N2 | N1 | 178.6° | 180.0° |
| O1 | C3 | N2 | C4 | 177.1° | 5.2° |
| O1 | C3 | N1 | C8 | 3.0° | 5.1° |
| O1 | C3 | N1 | C2 | 136.0° | 175.1° |
| O1 | C3 | N2 | H29 | 2.9° | 174.9° |
| C3 | N2 | C4 | H29 | 180.0° | 179.9° |
| N2 | C3 | N1 | C8 | 175.5° | 174.9° |
| N2 | C3 | N1 | C2 | 45.4° | 4.9° |
| C3 | N2 | C4 | H5 | 180.0° | 60.0° |
| C3 | N2 | C4 | H6 | 60.0° | 60.0° |
| C3 | N2 | C4 | H7 | 60.0° | 180.0° |
| N1 | C3 | N2 | C4 | 1.4° | 174.9° |
| C3 | N1 | C8 | C2 | 143.6° | 179.8° |
| C3 | N1 | C8 | C9 | 102.5° | 124.8° |
| C3 | N1 | C2 | C1 | 158.4° | 124.7° |
| C3 | N1 | C2 | H3 | 38.3° | 115.5° |
| C3 | N1 | C2 | H4 | 81.4° | 5.0° |
| C3 | N1 | C8 | H25 | 137.4° | 5.0° |
| C3 | N1 | C8 | H26 | 17.6° | 115.6° |
| N1 | C3 | N2 | H29 | 178.6° | 5.1° |
| N2 | C4 | H5 | H6 | 120.0° | 120.0° |
| N2 | C4 | H5 | H7 | 120.0° | 119.9° |
| N2 | C4 | H6 | H7 | 120.0° | 119.9° |
| N1 | C8 | C9 | H25 | 120.1° | 119.8° |
| N1 | C8 | C9 | H26 | 120.1° | 119.7° |
| N1 | C8 | C9 | N | 63.1° | 49.3° |
| C8 | N1 | C2 | C1 | 19.7° | 55.0° |
| C8 | N1 | C2 | H3 | 100.4° | 64.7° |
| C8 | N1 | C2 | H4 | 139.8° | 174.8° |
| N1 | C8 | H25 | H26 | 119.6° | 120.4° |
| N1 | C8 | C9 | H27 | 176.9° | 70.3° |
| N1 | C8 | C9 | H28 | 57.0° | 169.2° |
| C9 | C8 | N1 | C2 | 41.1° | 55.0° |
| C8 | C9 | N | H27 | 120.1° | 119.7° |
| C8 | C9 | N | H28 | 120.1° | 119.9° |
| C8 | C9 | N | C1 | 18.5° | 55.1° |
| C8 | C9 | N | C | 164.0° | 124.8° |
| C9 | C8 | H25 | H26 | 119.6° | 120.3° |
| C8 | C9 | H27 | H28 | 119.7° | 120.4° |
| N1 | C2 | C1 | H3 | 120.1° | 119.8° |
| N1 | C2 | C1 | H4 | 120.1° | 119.9° |
| N1 | C2 | C1 | N | 64.4° | 49.5° |
| N1 | C2 | C1 | H1 | 175.5° | 70.3° |
| N1 | C2 | C1 | H2 | 55.7° | 169.3° |
| N1 | C2 | H3 | H4 | 119.6° | 120.6° |
| C2 | N1 | C8 | H25 | 79.0° | 174.8° |
| C2 | N1 | C8 | H26 | 161.2° | 64.7° |
| C9 | N | C1 | C2 | 42.2° | 55.2° |
| C9 | N | C1 | C | 177.8° | 179.9° |
| C9 | N | C | C10 | 4.8° | 5.3° |
| C9 | N | C | O | 173.3° | 174.7° |
| C9 | N | C1 | H1 | 162.3° | 64.6° |
| C9 | N | C1 | H2 | 77.9° | 175.1° |
| N | C9 | C8 | H25 | 57.1° | 169.1° |
| N | C9 | C8 | H26 | 176.8° | 70.4° |
| N | C9 | H27 | H28 | 119.8° | 120.5° |
| C20 | C21 | C22 | H13 | 180.0° | 179.9° |
| C21 | C20 | C19 | H12 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.8° | 0.1° |
| C21 | C20 | C19 | S | 173.5° | 180.0° |
| C21 | C20 | C19 | C32 | 1.2° | 0.2° |
| C20 | C21 | C22 | H14 | 179.2° | 179.9° |
| C22 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| C21 | C22 | C23 | C32 | 0.3° | 0.3° |
| C21 | C22 | C23 | C24 | 177.3° | 179.9° |
| C22 | C21 | C20 | H12 | 179.7° | 180.0° |
| C2 | C1 | N | H1 | 120.1° | 119.8° |
| C2 | C1 | N | H2 | 120.1° | 119.9° |
| C2 | C1 | N | C | 135.6° | 124.7° |
| C2 | C1 | H1 | H2 | 119.8° | 120.4° |
| C1 | C2 | H3 | H4 | 119.6° | 120.3° |
| C20 | C19 | S | O5 | 3.2° | 156.7° |
| C20 | C19 | S | C32 | 174.8° | 179.7° |
| C20 | C19 | S | N5 | 116.7° | 89.7° |
| C20 | C19 | S | O4 | 128.5° | 23.8° |
| C20 | C19 | C32 | C23 | 2.3° | 0.6° |
| C19 | C20 | C21 | H13 | 179.7° | 180.0° |
| C20 | C19 | C32 | H24 | 177.7° | 179.8° |
| C10 | C11 | C12 | H16 | 120.6° | 120.0° |
| C10 | C11 | C12 | H17 | 120.5° | 120.1° |
| C11 | C10 | C | N | 79.2° | 85.2° |
| C10 | C11 | C12 | C18 | 88.5° | 90.2° |
| C11 | C10 | C | N5 | 124.0° | 120.0° |
| C11 | C10 | C | H15 | 117.1° | 120.0° |
| C11 | C10 | N5 | H15 | 117.6° | 120.0° |
| C10 | C11 | C12 | C13 | 88.6° | 90.0° |
| C11 | C10 | C | O | 102.7° | 94.8° |
| C11 | C10 | N5 | S | 128.6° | 95.0° |
| C10 | C11 | H16 | H17 | 118.3° | 120.1° |
| C11 | C10 | N5 | H33 | 110.1° | 85.0° |
| C11 | C12 | C18 | C13 | 177.1° | 179.8° |
| C11 | C12 | C18 | C17 | 175.8° | 179.7° |
| C12 | C11 | C10 | C | 35.4° | 178.8° |
| C12 | C11 | C10 | N5 | 89.3° | 58.8° |
| C11 | C12 | C13 | C14 | 175.9° | 179.8° |
| C11 | C12 | C13 | H8 | 4.1° | 0.3° |
| C11 | C12 | C18 | H11 | 4.2° | 0.2° |
| C12 | C11 | C10 | H15 | 152.6° | 61.2° |
| C12 | C11 | H16 | H17 | 118.4° | 119.9° |
| C1 | N | C | C10 | 177.8° | 174.9° |
| C1 | N | C | O | 4.1° | 5.2° |
| N | C1 | H1 | H2 | 119.8° | 120.3° |
| N | C1 | C2 | H3 | 55.7° | 70.3° |
| N | C1 | C2 | H4 | 175.5° | 169.4° |
| C1 | N | C9 | H27 | 138.6° | 64.5° |
| C1 | N | C9 | H28 | 101.6° | 175.0° |
| N | C | C10 | O | 178.1° | 180.0° |
| N | C | C10 | N5 | 156.8° | 154.8° |
| C | N | C1 | H1 | 15.5° | 115.5° |
| C | N | C1 | H2 | 104.3° | 4.8° |
| N | C | C10 | H15 | 37.9° | 34.8° |
| C | N | C9 | H27 | 43.9° | 115.6° |
| C | N | C9 | H28 | 76.0° | 4.9° |
| O5 | S | N5 | C10 | 67.1° | 178.6° |
| O5 | S | C19 | N5 | 113.5° | 113.5° |
| O5 | S | C19 | O4 | 131.7° | 133.0° |
| O5 | S | C19 | C32 | 171.6° | 23.5° |
| O5 | S | N5 | O4 | 129.3° | 132.9° |
| O5 | S | N5 | H33 | 171.6° | 1.4° |
| C12 | C18 | C17 | H11 | 180.0° | 180.0° |
| C12 | C18 | C17 | C16 | 0.5° | 0.0° |
| C18 | C12 | C13 | C14 | 1.2° | 0.0° |
| C18 | C12 | C13 | H8 | 178.8° | 180.0° |
| C12 | C18 | C17 | H10 | 179.5° | 180.0° |
| C18 | C12 | C11 | H16 | 32.1° | 29.8° |
| C18 | C12 | C11 | H17 | 151.0° | 149.7° |
| C17 | C18 | C12 | C13 | 1.3° | 0.1° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| C18 | C17 | C16 | C14 | 0.4° | 0.0° |
| C18 | C17 | C16 | H9 | 179.6° | 179.9° |
| C22 | C23 | C32 | C19 | 1.8° | 0.6° |
| C22 | C23 | C32 | C24 | 177.6° | 179.7° |
| C22 | C23 | C24 | C30 | 7.5° | 50.3° |
| C22 | C23 | C24 | C25 | 173.2° | 130.0° |
| C23 | C22 | C21 | H13 | 179.2° | 180.0° |
| C22 | C23 | C32 | H24 | 178.2° | 179.8° |
| C | C10 | N5 | H15 | 118.4° | 120.0° |
| C | C10 | N5 | S | 107.4° | 145.0° |
| C | C10 | C11 | H16 | 85.1° | 61.3° |
| C | C10 | C11 | H17 | 155.9° | 58.7° |
| C | C10 | N5 | H33 | 14.0° | 35.0° |
| N5 | C10 | C | O | 21.3° | 25.2° |
| C10 | N5 | S | C19 | 48.1° | 64.9° |
| C10 | N5 | S | H33 | 121.3° | 179.9° |
| C10 | N5 | S | O4 | 163.6° | 48.6° |
| N5 | C10 | C11 | H16 | 150.1° | 178.7° |
| N5 | C10 | C11 | H17 | 31.2° | 61.3° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C13 | C14 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 179.9° | 179.9° |
| C13 | C12 | C18 | H11 | 178.7° | 180.0° |
| C13 | C12 | C11 | H16 | 150.8° | 150.0° |
| C13 | C12 | C11 | H17 | 31.9° | 30.1° |
| O | C | C10 | H15 | 140.2° | 145.2° |
| C19 | S | N5 | O4 | 115.5° | 113.5° |
| S | C19 | C32 | C23 | 172.4° | 179.7° |
| S | C19 | C20 | H12 | 6.5° | 0.0° |
| S | C19 | C32 | H24 | 7.6° | 0.1° |
| C19 | S | N5 | H33 | 73.2° | 115.0° |
| C32 | C19 | S | N5 | 58.1° | 90.0° |
| C32 | C19 | S | O4 | 56.7° | 156.5° |
| C19 | C32 | C23 | H24 | 180.0° | 179.6° |
| C19 | C32 | C23 | C24 | 175.8° | 179.7° |
| C32 | C19 | C20 | H12 | 178.8° | 179.7° |
| C17 | C16 | C14 | C13 | 0.5° | 0.1° |
| C17 | C16 | C14 | H9 | 180.0° | 179.9° |
| C17 | C16 | C14 | C15 | 179.1° | 180.0° |
| C16 | C17 | C18 | H11 | 179.5° | 180.0° |
| O3 | C30 | C24 | C23 | 4.5° | 0.0° |
| O3 | C30 | C24 | C29 | 176.1° | 179.7° |
| O3 | C30 | C24 | C25 | 174.9° | 179.7° |
| O3 | C30 | C29 | C27 | 173.6° | 179.7° |
| O3 | C30 | C29 | H23 | 6.4° | 0.0° |
| S | N5 | C10 | H15 | 11.0° | 24.9° |
| O4 | S | N5 | H33 | 42.3° | 131.5° |
| C32 | C23 | C24 | C30 | 175.0° | 130.0° |
| C32 | C23 | C24 | C25 | 4.4° | 49.7° |
| C32 | C23 | C22 | H14 | 179.7° | 179.8° |
| C23 | C24 | C30 | C25 | 179.3° | 179.7° |
| C23 | C24 | C30 | C29 | 179.4° | 179.7° |
| C23 | C24 | C25 | C26 | 179.1° | 180.0° |
| C24 | C23 | C22 | H14 | 2.7° | 0.1° |
| C23 | C24 | C25 | H18 | 0.9° | 0.1° |
| C24 | C23 | C32 | H24 | 4.2° | 0.1° |
| C13 | C14 | C16 | C15 | 179.6° | 179.9° |
| C13 | C14 | C15 | N3 | 2.5° | 0.1° |
| C13 | C14 | C15 | N4 | 176.3° | 180.0° |
| C13 | C14 | C16 | H9 | 179.5° | 180.0° |
| C16 | C14 | C15 | N3 | 177.9° | 180.0° |
| C16 | C14 | C15 | N4 | 3.3° | 0.1° |
| C16 | C14 | C13 | H8 | 179.7° | 180.0° |
| C14 | C16 | C17 | H10 | 179.6° | 180.0° |
| C24 | C30 | C29 | C27 | 2.3° | 0.6° |
| C30 | C24 | C25 | C26 | 0.2° | 0.3° |
| C30 | C24 | C25 | H18 | 179.8° | 179.8° |
| C24 | C30 | C29 | H23 | 177.7° | 179.7° |
| C24 | C30 | O3 | H34 | 180.0° | 90.0° |
| C29 | C30 | C24 | C25 | 1.2° | 0.6° |
| C30 | C29 | C27 | H23 | 180.0° | 179.7° |
| C30 | C29 | C27 | C26 | 1.8° | 0.4° |
| C30 | C29 | C27 | O2 | 175.7° | 179.8° |
| C29 | C30 | O3 | H34 | 4.0° | 89.7° |
| C24 | C25 | C26 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.7° | 0.1° |
| C24 | C25 | C26 | H19 | 179.3° | 179.9° |
| C14 | C15 | N3 | N4 | 178.9° | 179.9° |
| C15 | C14 | C13 | H8 | 0.1° | 0.1° |
| C15 | C14 | C16 | H9 | 1.0° | 0.1° |
| C14 | C15 | N3 | H30 | 178.8° | 180.0° |
| C14 | C15 | N4 | H31 | 178.8° | 0.1° |
| C14 | C15 | N4 | H32 | 1.2° | 180.0° |
| C29 | C27 | C26 | C25 | 0.4° | 0.1° |
| C29 | C27 | C26 | O2 | 177.5° | 179.9° |
| C29 | C27 | O2 | C28 | 177.7° | 180.0° |
| C29 | C27 | C26 | H19 | 179.6° | 179.9° |
| C25 | C26 | C27 | H19 | 180.0° | 180.0° |
| C25 | C26 | C27 | O2 | 177.1° | 180.0° |
| N3 | C15 | N4 | H31 | 0.0° | 180.0° |
| N3 | C15 | N4 | H32 | 180.0° | 0.0° |
| N4 | C15 | N3 | H30 | 0.0° | 0.0° |
| C15 | N4 | H31 | H32 | 180.0° | 179.9° |
| C26 | C27 | O2 | C28 | 0.2° | 0.1° |
| C27 | C26 | C25 | H18 | 179.3° | 180.0° |
| C26 | C27 | C29 | H23 | 178.2° | 180.0° |
| O2 | C27 | C26 | H19 | 2.9° | 0.0° |
| C27 | O2 | C28 | H20 | 180.0° | 180.0° |
| C27 | O2 | C28 | H21 | 60.0° | 60.1° |
| C27 | O2 | C28 | H22 | 60.0° | 59.9° |
| O2 | C27 | C29 | H23 | 4.3° | 0.1° |
| O2 | C28 | H20 | H21 | 120.0° | 119.9° |
| O2 | C28 | H20 | H22 | 120.0° | 120.1° |
| O2 | C28 | H21 | H22 | 120.0° | 120.0° |
| H1 | C1 | C2 | H3 | 64.4° | 169.9° |
| H1 | C1 | C2 | H4 | 55.4° | 49.6° |
| H2 | C1 | C2 | H3 | 175.8° | 49.5° |
| H2 | C1 | C2 | H4 | 64.5° | 70.8° |
| H5 | C4 | H6 | H7 | 120.0° | 120.1° |
| H5 | C4 | N2 | H29 | 0.0° | 120.0° |
| H6 | C4 | N2 | H29 | 120.0° | 120.0° |
| H7 | C4 | N2 | H29 | 120.0° | 0.0° |
| H9 | C16 | C17 | H10 | 0.5° | 0.1° |
| H10 | C17 | C18 | H11 | 0.5° | 0.0° |
| H12 | C20 | C21 | H13 | 0.3° | 0.1° |
| H13 | C21 | C22 | H14 | 0.8° | 0.0° |
| H15 | C10 | C11 | H16 | 32.0° | 58.8° |
| H15 | C10 | C11 | H17 | 86.9° | 178.8° |
| H15 | C10 | N5 | H33 | 132.4° | 155.0° |
| H18 | C25 | C26 | H19 | 0.7° | 0.0° |
| H20 | C28 | H21 | H22 | 120.0° | 120.0° |
| H25 | C8 | C9 | H27 | 63.0° | 49.5° |
| H25 | C8 | C9 | H28 | 177.1° | 71.0° |
| H26 | C8 | C9 | H27 | 56.7° | 170.0° |
| H26 | C8 | C9 | H28 | 63.1° | 49.5° |
