WEQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N4 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C25 | doub | 1.41Å | 1.40Å | Aromatic |
| N4 | C19 | sing | 1.37Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | N5 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | N5 | doub | 1.31Å | 1.36Å | Aromatic |
| C19 | S1 | sing | 1.76Å | 1.74Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| S1 | C2 | sing | 1.81Å | 1.82Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C18 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C4 | sing | 1.35Å | 1.34Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C15 | N3 | sing | 1.47Å | 1.46Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | O5 | doub | 1.21Å | 1.21Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| C16 | C13 | sing | 1.55Å | 1.52Å | |
| O4 | C10 | doub | 1.21Å | 1.23Å | |
| N3 | C14 | sing | 1.34Å | 1.33Å | |
| C5 | C10 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | O2 | doub | 1.21Å | 1.25Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C17 | sing | 1.53Å | 1.52Å | |
| O3 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | S2 | sing | 1.81Å | 1.81Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | H32 | sing | 0.97Å | 1.00Å | |
| N2 | H33 | sing | 0.97Å | 1.00Å | |
| N3 | H34 | sing | 0.97Å | 1.00Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| O3 | H37 | sing | 0.97Å | 0.95Å | |
| S2 | O6 | doub | 1.42Å | 1.80Å | |
| S2 | O7 | doub | 1.42Å | 19.85Å | |
| S2 | O8 | sing | 1.52Å | 19.85Å | |
| O8 | H36 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 121.7° | 120.4° |
| C22 | C21 | C20 | 117.8° | 119.9° |
| C22 | C21 | H21 | 121.1° | 120.0° |
| C21 | C22 | H22 | 119.2° | 119.8° |
| C22 | C23 | C24 | 121.5° | 120.5° |
| C23 | C22 | H22 | 119.1° | 119.8° |
| C22 | C23 | H23 | 119.2° | 119.8° |
| C21 | C20 | N4 | 130.3° | 133.9° |
| C21 | C20 | C25 | 119.9° | 120.0° |
| C20 | C21 | H21 | 121.1° | 120.1° |
| C23 | C24 | C25 | 116.6° | 119.8° |
| C24 | C23 | H23 | 119.2° | 119.8° |
| C23 | C24 | H24 | 121.7° | 120.1° |
| N4 | C20 | C25 | 109.8° | 106.1° |
| C20 | N4 | C19 | 104.2° | 107.2° |
| C20 | N4 | H35 | 127.9° | 126.4° |
| C20 | C25 | C24 | 122.5° | 119.4° |
| C20 | C25 | N5 | 105.6° | 107.1° |
| N4 | C19 | N5 | 112.9° | 109.8° |
| N4 | C19 | S1 | 126.5° | 125.1° |
| C19 | N4 | H35 | 127.9° | 126.4° |
| C24 | C25 | N5 | 131.8° | 133.4° |
| C25 | C24 | H24 | 121.7° | 120.1° |
| C25 | N5 | C19 | 107.3° | 109.7° |
| N5 | C19 | S1 | 120.4° | 125.1° |
| C19 | S1 | C2 | 107.5° | 100.0° |
| C1 | C2 | S1 | 108.3° | 109.5° |
| C1 | C2 | C3 | 107.7° | 109.5° |
| C1 | C2 | C18 | 109.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| S1 | C2 | C3 | 113.0° | 109.5° |
| S1 | C2 | C18 | 109.5° | 109.5° |
| C3 | C2 | C18 | 109.0° | 109.5° |
| C2 | C3 | O1 | 109.6° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C18 | H16 | 109.5° | 109.5° |
| C2 | C18 | H17 | 109.4° | 109.5° |
| C2 | C18 | H18 | 109.5° | 109.5° |
| C3 | O1 | C4 | 115.7° | 117.0° |
| O1 | C3 | H4 | 109.4° | 109.4° |
| O1 | C3 | H5 | 109.4° | 109.4° |
| O1 | C4 | N1 | 109.9° | 120.0° |
| O1 | C4 | O5 | 125.1° | 120.0° |
| C16 | C15 | N3 | 102.9° | 105.5° |
| C15 | C16 | C13 | 104.7° | 101.8° |
| C16 | C15 | H11 | 111.1° | 110.2° |
| C16 | C15 | H12 | 111.1° | 110.3° |
| C15 | C16 | H13 | 110.7° | 111.0° |
| C15 | C16 | H14 | 110.6° | 111.0° |
| C15 | N3 | C14 | 113.6° | 111.3° |
| N3 | C15 | H11 | 111.1° | 110.3° |
| N3 | C15 | H12 | 111.1° | 110.2° |
| C15 | N3 | H34 | 123.2° | 124.3° |
| N1 | C4 | O5 | 125.0° | 120.0° |
| C4 | N1 | C5 | 121.2° | 120.0° |
| C4 | N1 | H32 | 119.4° | 120.0° |
| N1 | C5 | C10 | 113.1° | 109.5° |
| N1 | C5 | C6 | 110.1° | 109.4° |
| N1 | C5 | H6 | 108.9° | 109.4° |
| C5 | N1 | H32 | 119.4° | 119.9° |
| C16 | C13 | C14 | 103.5° | 104.2° |
| C16 | C13 | C12 | 114.2° | 110.5° |
| C13 | C16 | H13 | 110.6° | 111.0° |
| C13 | C16 | H14 | 110.7° | 111.0° |
| C16 | C13 | H20 | 108.6° | 110.5° |
| O4 | C10 | C5 | 120.5° | 120.0° |
| O4 | C10 | N2 | 123.5° | 120.0° |
| N3 | C14 | C13 | 108.8° | 110.2° |
| N3 | C14 | O2 | 125.6° | 124.9° |
| C14 | N3 | H34 | 123.2° | 124.4° |
| C10 | C5 | C6 | 108.9° | 109.5° |
| C5 | C10 | N2 | 116.0° | 120.0° |
| C10 | C5 | H6 | 107.9° | 109.5° |
| C5 | C6 | C7 | 115.5° | 109.5° |
| C6 | C5 | H6 | 107.8° | 109.5° |
| C5 | C6 | H7 | 107.9° | 109.5° |
| C5 | C6 | H8 | 107.9° | 109.5° |
| C10 | N2 | C11 | 124.2° | 120.0° |
| C10 | N2 | H33 | 117.9° | 120.0° |
| C14 | C13 | C12 | 112.9° | 110.5° |
| C13 | C14 | O2 | 125.6° | 124.9° |
| C14 | C13 | H20 | 108.7° | 110.5° |
| C13 | C12 | C11 | 113.8° | 109.4° |
| C13 | C12 | H9 | 108.4° | 109.5° |
| C13 | C12 | H10 | 108.4° | 109.4° |
| C12 | C13 | H20 | 108.6° | 110.5° |
| C6 | C7 | C8 | 110.8° | 109.5° |
| C6 | C7 | C9 | 111.2° | 109.5° |
| C7 | C6 | H7 | 107.9° | 109.5° |
| C7 | C6 | H8 | 107.9° | 109.4° |
| C6 | C7 | H25 | 108.0° | 109.5° |
| C8 | C7 | C9 | 110.4° | 109.5° |
| C8 | C7 | H25 | 108.1° | 109.4° |
| C7 | C8 | H26 | 109.5° | 109.5° |
| C7 | C8 | H27 | 109.5° | 109.5° |
| C7 | C8 | H28 | 109.4° | 109.5° |
| C9 | C7 | H25 | 108.1° | 109.5° |
| C7 | C9 | H29 | 109.5° | 109.5° |
| C7 | C9 | H30 | 109.5° | 109.5° |
| C7 | C9 | H31 | 109.5° | 109.4° |
| N2 | C11 | C12 | 110.1° | 109.5° |
| N2 | C11 | C17 | 109.5° | 109.5° |
| N2 | C11 | H19 | 109.0° | 109.5° |
| C11 | N2 | H33 | 117.9° | 120.0° |
| C12 | C11 | C17 | 112.0° | 109.4° |
| C11 | C12 | H9 | 108.4° | 109.5° |
| C11 | C12 | H10 | 108.3° | 109.5° |
| C12 | C11 | H19 | 108.0° | 109.5° |
| C11 | C17 | O3 | 110.8° | 109.5° |
| C11 | C17 | S2 | 110.0° | 109.4° |
| C11 | C17 | H15 | 110.0° | 109.5° |
| C17 | C11 | H19 | 108.2° | 109.5° |
| O3 | C17 | S2 | 107.6° | 109.5° |
| O3 | C17 | H15 | 111.6° | 109.5° |
| C17 | O3 | H37 | 109.5° | 113.9° |
| S2 | C17 | H15 | 106.8° | 109.4° |
| C17 | S2 | O6 | 101.2° | 110.6° |
| C17 | S2 | O7 | 57.9° | 110.5° |
| C17 | S2 | O8 | 57.9° | 104.4° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 110.3° |
| H13 | C16 | H14 | 109.5° | 110.9° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H26 | C8 | H27 | 109.5° | 109.4° |
| H26 | C8 | H28 | 109.5° | 109.5° |
| H27 | C8 | H28 | 109.4° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
| H29 | C9 | H31 | 109.4° | 109.5° |
| H30 | C9 | H31 | 109.5° | 109.5° |
| O6 | S2 | O7 | 96.3° | 121.0° |
| O6 | S2 | O8 | 96.3° | 104.3° |
| O7 | S2 | O8 | 0.0° | 104.3° |
| S2 | O8 | H36 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | N4 | 178.7° | 179.9° |
| C22 | C21 | C20 | C25 | 0.4° | 0.3° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.4° |
| C23 | C22 | C21 | H21 | 179.8° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C21 | C20 | N4 | C25 | 178.4° | 179.7° |
| C21 | C20 | N4 | C19 | 178.8° | 180.0° |
| C21 | C20 | C25 | C24 | 0.5° | 0.2° |
| C21 | C20 | C25 | N5 | 179.5° | 179.8° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C20 | N4 | H35 | 1.2° | 0.1° |
| C23 | C24 | C25 | C20 | 0.2° | 0.2° |
| C23 | C24 | C25 | H24 | 180.0° | 179.5° |
| C23 | C24 | C25 | N5 | 179.8° | 179.4° |
| C24 | C23 | C22 | H22 | 179.9° | 179.7° |
| C20 | N4 | C19 | H35 | 180.0° | 179.9° |
| N4 | C20 | C25 | C24 | 179.1° | 179.9° |
| N4 | C20 | C25 | N5 | 1.0° | 0.4° |
| C20 | N4 | C19 | N5 | 3.7° | 0.0° |
| C20 | N4 | C19 | S1 | 178.9° | 179.7° |
| N4 | C20 | C21 | H21 | 1.3° | 0.0° |
| C25 | C20 | N4 | C19 | 2.8° | 0.3° |
| C20 | C25 | C24 | N5 | 180.0° | 179.5° |
| C20 | C25 | N5 | C19 | 1.3° | 0.4° |
| C25 | C20 | C21 | H21 | 179.5° | 179.7° |
| C20 | C25 | C24 | H24 | 179.8° | 179.7° |
| C25 | C20 | N4 | H35 | 177.2° | 179.8° |
| N4 | C19 | N5 | C25 | 3.3° | 0.3° |
| N4 | C19 | N5 | S1 | 175.5° | 179.7° |
| N4 | C19 | S1 | C2 | 116.7° | 179.7° |
| C24 | C25 | N5 | C19 | 178.7° | 180.0° |
| C25 | C24 | C23 | H23 | 180.0° | 179.9° |
| C25 | N5 | C19 | S1 | 178.8° | 180.0° |
| N5 | C25 | C24 | H24 | 0.2° | 0.1° |
| N5 | C19 | S1 | C2 | 68.5° | 0.0° |
| N5 | C19 | N4 | H35 | 176.2° | 179.9° |
| C19 | S1 | C2 | C1 | 67.0° | 60.0° |
| C19 | S1 | C2 | C3 | 52.2° | 180.0° |
| C19 | S1 | C2 | C18 | 174.0° | 60.0° |
| S1 | C19 | N4 | H35 | 1.1° | 0.2° |
| C1 | C2 | S1 | C3 | 119.2° | 120.0° |
| C1 | C2 | S1 | C18 | 119.0° | 120.0° |
| C1 | C2 | C3 | C18 | 118.4° | 120.0° |
| C1 | C2 | C3 | O1 | 54.8° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 65.2° | 180.0° |
| C1 | C2 | C3 | H5 | 174.8° | 60.0° |
| C1 | C2 | C18 | H16 | 180.0° | 60.0° |
| C1 | C2 | C18 | H17 | 60.0° | 180.0° |
| C1 | C2 | C18 | H18 | 60.0° | 60.0° |
| S1 | C2 | C3 | C18 | 122.0° | 120.0° |
| S1 | C2 | C3 | O1 | 174.4° | 180.0° |
| S1 | C2 | C1 | H1 | 180.0° | 60.0° |
| S1 | C2 | C1 | H2 | 60.0° | 60.0° |
| S1 | C2 | C1 | H3 | 60.0° | 180.0° |
| S1 | C2 | C3 | H4 | 54.4° | 60.0° |
| S1 | C2 | C3 | H5 | 65.6° | 60.0° |
| S1 | C2 | C18 | H16 | 61.5° | 60.0° |
| S1 | C2 | C18 | H17 | 58.5° | 60.0° |
| S1 | C2 | C18 | H18 | 178.4° | 179.9° |
| C2 | C3 | O1 | H4 | 120.0° | 120.0° |
| C2 | C3 | O1 | H5 | 120.0° | 120.0° |
| C2 | C3 | O1 | C4 | 137.1° | 180.0° |
| C3 | C2 | C1 | H1 | 57.5° | 60.0° |
| C3 | C2 | C1 | H2 | 177.5° | 180.0° |
| C3 | C2 | C1 | H3 | 62.5° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | C18 | H16 | 62.6° | 180.0° |
| C3 | C2 | C18 | H17 | 177.4° | 60.1° |
| C3 | C2 | C18 | H18 | 57.4° | 60.0° |
| C18 | C2 | C3 | O1 | 63.6° | 60.0° |
| C18 | C2 | C1 | H1 | 60.8° | 180.0° |
| C18 | C2 | C1 | H2 | 59.2° | 60.0° |
| C18 | C2 | C1 | H3 | 179.2° | 60.0° |
| C18 | C2 | C3 | H4 | 176.4° | 60.0° |
| C18 | C2 | C3 | H5 | 56.4° | 180.0° |
| C2 | C18 | H16 | H17 | 120.0° | 120.0° |
| C2 | C18 | H16 | H18 | 120.0° | 120.0° |
| C2 | C18 | H17 | H18 | 120.0° | 120.1° |
| C3 | O1 | C4 | N1 | 172.4° | 179.9° |
| C3 | O1 | C4 | O5 | 9.4° | 0.0° |
| O1 | C3 | H4 | H5 | 119.9° | 120.0° |
| O1 | C4 | N1 | O5 | 178.2° | 179.9° |
| O1 | C4 | N1 | C5 | 168.7° | 175.1° |
| C4 | O1 | C3 | H4 | 102.9° | 60.0° |
| C4 | O1 | C3 | H5 | 17.1° | 60.0° |
| O1 | C4 | N1 | H32 | 11.3° | 4.8° |
| C16 | C15 | N3 | H11 | 118.9° | 119.0° |
| C16 | C15 | N3 | H12 | 119.0° | 119.0° |
| C15 | C16 | C13 | H13 | 119.3° | 118.1° |
| C15 | C16 | C13 | H14 | 119.2° | 118.1° |
| C16 | C15 | N3 | C14 | 19.4° | 16.9° |
| C15 | C16 | C13 | C14 | 22.3° | 24.9° |
| C15 | C16 | C13 | C12 | 145.5° | 143.6° |
| C16 | C15 | H11 | H12 | 123.1° | 122.0° |
| C15 | C16 | H13 | H14 | 122.2° | 123.8° |
| C15 | C16 | C13 | H20 | 93.2° | 93.7° |
| C16 | C15 | N3 | H34 | 160.6° | 162.9° |
| N3 | C15 | C16 | C13 | 24.9° | 25.4° |
| C15 | N3 | C14 | H34 | 180.0° | 179.8° |
| C15 | N3 | C14 | C13 | 5.2° | 0.2° |
| C15 | N3 | C14 | O2 | 175.0° | 179.6° |
| N3 | C15 | H11 | H12 | 123.0° | 121.9° |
| N3 | C15 | C16 | H13 | 144.2° | 143.5° |
| N3 | C15 | C16 | H14 | 94.3° | 92.7° |
| C4 | N1 | C5 | H32 | 180.0° | 179.9° |
| C4 | N1 | C5 | C10 | 88.6° | 157.1° |
| C4 | N1 | C5 | C6 | 149.4° | 82.9° |
| C4 | N1 | C5 | H6 | 31.3° | 37.1° |
| O5 | C4 | N1 | C5 | 13.1° | 5.0° |
| O5 | C4 | N1 | H32 | 166.8° | 175.1° |
| N1 | C5 | C10 | O4 | 41.3° | 21.1° |
| N1 | C5 | C10 | C6 | 122.7° | 120.0° |
| N1 | C5 | C10 | H6 | 120.5° | 120.0° |
| N1 | C5 | C6 | H6 | 118.7° | 120.0° |
| N1 | C5 | C10 | N2 | 140.3° | 159.0° |
| N1 | C5 | C6 | C7 | 52.4° | 176.7° |
| N1 | C5 | C6 | H7 | 68.5° | 56.7° |
| N1 | C5 | C6 | H8 | 173.3° | 63.4° |
| C16 | C13 | C14 | N3 | 11.3° | 16.5° |
| C16 | C13 | C14 | C12 | 124.0° | 118.7° |
| C16 | C13 | C14 | H20 | 115.4° | 118.6° |
| C16 | C13 | C12 | H20 | 121.4° | 122.6° |
| C16 | C13 | C14 | O2 | 168.6° | 163.8° |
| C16 | C13 | C12 | C11 | 65.9° | 64.7° |
| C16 | C13 | C12 | H9 | 54.7° | 175.3° |
| C16 | C13 | C12 | H10 | 173.5° | 55.2° |
| C13 | C16 | C15 | H11 | 143.9° | 144.4° |
| C13 | C16 | C15 | H12 | 94.0° | 93.5° |
| C13 | C16 | H13 | H14 | 122.2° | 123.8° |
| O4 | C10 | C5 | N2 | 178.4° | 179.9° |
| O4 | C10 | C5 | C6 | 81.4° | 98.9° |
| O4 | C10 | N2 | C11 | 0.6° | 4.7° |
| O4 | C10 | C5 | H6 | 161.8° | 141.1° |
| O4 | C10 | N2 | H33 | 179.4° | 175.4° |
| N3 | C14 | C13 | O2 | 179.8° | 179.8° |
| N3 | C14 | C13 | C12 | 135.3° | 135.2° |
| C14 | N3 | C15 | H11 | 138.3° | 135.9° |
| C14 | N3 | C15 | H12 | 99.6° | 102.1° |
| N3 | C14 | C13 | H20 | 104.1° | 102.2° |
| C10 | C5 | C6 | H6 | 116.8° | 120.0° |
| C10 | C5 | C6 | C7 | 176.9° | 63.3° |
| C5 | C10 | N2 | C11 | 177.7° | 175.4° |
| C10 | C5 | C6 | H7 | 56.0° | 176.7° |
| C10 | C5 | C6 | H8 | 62.2° | 56.6° |
| C10 | C5 | N1 | H32 | 91.4° | 22.8° |
| C5 | C10 | N2 | H33 | 2.3° | 4.6° |
| C6 | C5 | C10 | N2 | 97.0° | 81.0° |
| C5 | C6 | C7 | H7 | 120.9° | 120.0° |
| C5 | C6 | C7 | H8 | 120.9° | 120.0° |
| C5 | C6 | C7 | C8 | 178.9° | 66.3° |
| C5 | C6 | C7 | C9 | 55.6° | 173.7° |
| C5 | C6 | H7 | H8 | 117.2° | 120.0° |
| C5 | C6 | C7 | H25 | 62.9° | 53.7° |
| C6 | C5 | N1 | H32 | 30.7° | 97.2° |
| C10 | N2 | C11 | H33 | 180.0° | 179.9° |
| C10 | N2 | C11 | C12 | 117.7° | 60.8° |
| C10 | N2 | C11 | C17 | 118.8° | 59.1° |
| N2 | C10 | C5 | H6 | 19.8° | 39.0° |
| C10 | N2 | C11 | H19 | 0.6° | 179.2° |
| C14 | C13 | C12 | H20 | 120.7° | 122.6° |
| C14 | C13 | C12 | C11 | 176.1° | 179.5° |
| C14 | C13 | C12 | H9 | 63.2° | 60.5° |
| C14 | C13 | C12 | H10 | 55.5° | 59.6° |
| C14 | C13 | C16 | H13 | 141.5° | 143.0° |
| C14 | C13 | C16 | H14 | 97.0° | 93.2° |
| C13 | C14 | N3 | H34 | 174.8° | 179.6° |
| C12 | C13 | C14 | O2 | 44.5° | 45.0° |
| C13 | C12 | C11 | N2 | 66.8° | 63.2° |
| C13 | C12 | C11 | H9 | 120.7° | 120.0° |
| C13 | C12 | C11 | H10 | 120.6° | 119.9° |
| C13 | C12 | C11 | C17 | 171.1° | 176.8° |
| C13 | C12 | H9 | H10 | 118.0° | 120.0° |
| C12 | C13 | C16 | H13 | 95.3° | 98.3° |
| C12 | C13 | C16 | H14 | 26.2° | 25.5° |
| C13 | C12 | C11 | H19 | 52.1° | 56.8° |
| O2 | C14 | C13 | H20 | 76.1° | 77.6° |
| O2 | C14 | N3 | H34 | 5.1° | 0.6° |
| C6 | C7 | C8 | C9 | 123.6° | 120.0° |
| C6 | C7 | C8 | H25 | 118.2° | 120.0° |
| C6 | C7 | C9 | H25 | 118.5° | 120.0° |
| C7 | C6 | C5 | H6 | 66.2° | 56.7° |
| C7 | C6 | H7 | H8 | 117.2° | 120.0° |
| C6 | C7 | C8 | H26 | 180.0° | 174.3° |
| C6 | C7 | C8 | H27 | 60.0° | 65.7° |
| C6 | C7 | C8 | H28 | 60.0° | 54.3° |
| C6 | C7 | C9 | H29 | 180.0° | 60.0° |
| C6 | C7 | C9 | H30 | 60.0° | 180.0° |
| C6 | C7 | C9 | H31 | 60.0° | 60.0° |
| C8 | C7 | C9 | H25 | 118.1° | 120.0° |
| C8 | C7 | C6 | H7 | 60.3° | 53.7° |
| C8 | C7 | C6 | H8 | 58.0° | 173.7° |
| C7 | C8 | H26 | H27 | 120.0° | 120.0° |
| C7 | C8 | H26 | H28 | 120.0° | 120.0° |
| C7 | C8 | H27 | H28 | 119.9° | 120.0° |
| C8 | C7 | C9 | H29 | 56.6° | 180.0° |
| C8 | C7 | C9 | H30 | 63.4° | 60.0° |
| C8 | C7 | C9 | H31 | 176.6° | 60.0° |
| C9 | C7 | C6 | H7 | 176.5° | 66.3° |
| C9 | C7 | C6 | H8 | 65.2° | 53.8° |
| C9 | C7 | C8 | H26 | 56.3° | 54.3° |
| C9 | C7 | C8 | H27 | 176.4° | 174.3° |
| C9 | C7 | C8 | H28 | 63.7° | 65.7° |
| C7 | C9 | H29 | H30 | 120.0° | 120.0° |
| C7 | C9 | H29 | H31 | 120.0° | 120.0° |
| C7 | C9 | H30 | H31 | 120.0° | 120.0° |
| N2 | C11 | C12 | C17 | 122.1° | 120.0° |
| N2 | C11 | C12 | H19 | 118.9° | 120.0° |
| N2 | C11 | C17 | H19 | 118.6° | 120.0° |
| N2 | C11 | C17 | O3 | 61.9° | 178.4° |
| N2 | C11 | C17 | S2 | 57.0° | 61.6° |
| N2 | C11 | C12 | H9 | 172.5° | 56.8° |
| N2 | C11 | C12 | H10 | 53.8° | 176.9° |
| N2 | C11 | C17 | H15 | 174.3° | 58.4° |
| C12 | C11 | C17 | H19 | 119.0° | 120.0° |
| C12 | C11 | C17 | O3 | 175.7° | 58.5° |
| C12 | C11 | C17 | S2 | 65.4° | 178.4° |
| C11 | C12 | H9 | H10 | 118.0° | 120.0° |
| C12 | C11 | C17 | H15 | 51.9° | 61.6° |
| C11 | C12 | C13 | H20 | 55.4° | 57.9° |
| C12 | C11 | N2 | H33 | 62.3° | 119.3° |
| C11 | C17 | O3 | S2 | 120.3° | 120.0° |
| C11 | C17 | O3 | H15 | 122.9° | 120.1° |
| C11 | C17 | S2 | H15 | 119.3° | 120.0° |
| C17 | C11 | C12 | H9 | 50.4° | 63.2° |
| C17 | C11 | C12 | H10 | 68.3° | 56.9° |
| C17 | C11 | N2 | H33 | 61.2° | 120.8° |
| C11 | C17 | O3 | H37 | 180.0° | 60.1° |
| C11 | C17 | S2 | O6 | 167.5° | 52.2° |
| C11 | C17 | S2 | O7 | 77.0° | 171.0° |
| C11 | C17 | S2 | O8 | 77.0° | 59.4° |
| O3 | C17 | S2 | H15 | 119.9° | 120.0° |
| O3 | C17 | C11 | H19 | 56.7° | 61.5° |
| O3 | C17 | S2 | O6 | 71.7° | 67.8° |
| O3 | C17 | S2 | O7 | 162.2° | 69.0° |
| O3 | C17 | S2 | O8 | 162.2° | 179.4° |
| S2 | C17 | C11 | H19 | 175.6° | 58.4° |
| S2 | C17 | O3 | H37 | 59.7° | 180.0° |
| C17 | S2 | O6 | O7 | 58.4° | 131.5° |
| C17 | S2 | O6 | O8 | 58.4° | 111.7° |
| C17 | S2 | O7 | O8 | 90.0° | 111.7° |
| C17 | S2 | O8 | H36 | 90.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 172.9° | 63.3° |
| H6 | C5 | C6 | H8 | 54.7° | 176.7° |
| H6 | C5 | N1 | H32 | 148.7° | 142.8° |
| H7 | C6 | C7 | H25 | 58.0° | 173.6° |
| H8 | C6 | C7 | H25 | 176.3° | 66.3° |
| H9 | C12 | C11 | H19 | 68.6° | 176.8° |
| H9 | C12 | C13 | H20 | 176.1° | 62.1° |
| H10 | C12 | C11 | H19 | 172.7° | 63.1° |
| H10 | C12 | C13 | H20 | 65.2° | 177.8° |
| H11 | C15 | C16 | H13 | 96.9° | 97.5° |
| H11 | C15 | C16 | H14 | 24.6° | 26.3° |
| H11 | C15 | N3 | H34 | 41.6° | 43.9° |
| H12 | C15 | C16 | H13 | 25.3° | 24.6° |
| H12 | C15 | C16 | H14 | 146.7° | 148.3° |
| H12 | C15 | N3 | H34 | 80.5° | 78.1° |
| H13 | C16 | C13 | H20 | 26.1° | 24.4° |
| H14 | C16 | C13 | H20 | 147.6° | 148.1° |
| H15 | C17 | C11 | H19 | 67.1° | 178.4° |
| H15 | C17 | O3 | H37 | 57.1° | 60.0° |
| H15 | C17 | S2 | O6 | 48.2° | 172.2° |
| H15 | C17 | S2 | O7 | 42.3° | 51.0° |
| H15 | C17 | S2 | O8 | 42.3° | 60.6° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | C11 | N2 | H33 | 179.3° | 0.8° |
| H21 | C21 | C22 | H22 | 0.2° | 0.1° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.4° |
| H25 | C7 | C8 | H26 | 61.8° | 65.8° |
| H25 | C7 | C8 | H27 | 58.3° | 54.2° |
| H25 | C7 | C8 | H28 | 178.2° | 174.2° |
| H25 | C7 | C9 | H29 | 61.5° | 60.1° |
| H25 | C7 | C9 | H30 | 178.4° | 60.0° |
| H25 | C7 | C9 | H31 | 58.5° | 180.0° |
| H26 | C8 | H27 | H28 | 120.0° | 120.0° |
| H29 | C9 | H30 | H31 | 120.0° | 120.0° |
| O6 | S2 | O7 | O8 | 90.0° | 116.8° |
| O6 | S2 | O8 | H36 | 90.0° | 63.9° |
| O7 | S2 | O8 | H36 | 90.0° | 63.9° |
