WEL
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 | 1.35Å | Aromatic |
| C19 | S1 | sing | 1.76Å | 1.74Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| S1 | C2 | sing | 1.81Å | 1.81Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| 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 | 1.22Å | 1.21Å | |
| N1 | C5 | sing | 1.46Å | 1.45Å | |
| O4 | C10 | doub | 1.21Å | 1.23Å | |
| C16 | C13 | sing | 1.55Å | 1.52Å | |
| N3 | C14 | sing | 1.34Å | 1.33Å | |
| C10 | C5 | sing | 1.51Å | 1.53Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| 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 | |
| C17 | O3 | sing | 1.43Å | 1.40Å | |
| 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 | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.08Å | 1.08Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| N1 | H33 | sing | 0.97Å | 1.00Å | |
| N2 | H34 | sing | 0.97Å | 1.00Å | |
| N3 | H35 | sing | 0.97Å | 1.00Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| S2 | O6 | doub | 1.42Å | 1.80Å | |
| S2 | O7 | doub | 1.42Å | 19.85Å | |
| S2 | O8 | sing | 1.52Å | 19.85Å | |
| O8 | H37 | 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° | 119.8° |
| C22 | C21 | H29 | 121.1° | 120.1° |
| C21 | C22 | H30 | 119.1° | 119.8° |
| C22 | C23 | C24 | 121.5° | 120.5° |
| C23 | C22 | H30 | 119.1° | 119.8° |
| C22 | C23 | H31 | 119.2° | 119.7° |
| C21 | C20 | N4 | 130.3° | 133.9° |
| C21 | C20 | C25 | 119.8° | 120.0° |
| C20 | C21 | H29 | 121.1° | 120.1° |
| C23 | C24 | C25 | 116.6° | 119.8° |
| C24 | C23 | H31 | 119.2° | 119.7° |
| C23 | C24 | H32 | 121.7° | 120.1° |
| N4 | C20 | C25 | 109.9° | 106.1° |
| C20 | N4 | C19 | 104.2° | 107.3° |
| C20 | N4 | H36 | 127.9° | 126.3° |
| C20 | C25 | C24 | 122.5° | 119.5° |
| C20 | C25 | N5 | 105.6° | 107.1° |
| N4 | C19 | N5 | 112.9° | 109.8° |
| N4 | C19 | S1 | 126.3° | 125.1° |
| C19 | N4 | H36 | 127.9° | 126.4° |
| C24 | C25 | N5 | 131.9° | 133.4° |
| C25 | C24 | H32 | 121.7° | 120.1° |
| C25 | N5 | C19 | 107.3° | 109.7° |
| N5 | C19 | S1 | 120.6° | 125.1° |
| C19 | S1 | C2 | 107.3° | 100.0° |
| C1 | C2 | S1 | 108.6° | 109.5° |
| C1 | C2 | C3 | 107.1° | 109.4° |
| C1 | C2 | C18 | 109.2° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| S1 | C2 | C3 | 113.1° | 109.5° |
| S1 | C2 | C18 | 110.1° | 109.4° |
| C3 | C2 | C18 | 108.5° | 109.5° |
| C2 | C3 | O1 | 107.7° | 109.5° |
| C2 | C3 | H4 | 109.9° | 109.5° |
| C2 | C3 | H5 | 109.9° | 109.4° |
| C2 | C18 | H26 | 109.5° | 109.5° |
| C2 | C18 | H27 | 109.5° | 109.5° |
| C2 | C18 | H28 | 109.5° | 109.5° |
| C3 | O1 | C4 | 115.7° | 117.0° |
| O1 | C3 | H4 | 109.9° | 109.6° |
| O1 | C3 | H5 | 109.9° | 109.5° |
| O1 | C4 | N1 | 109.2° | 120.0° |
| O1 | C4 | O5 | 125.4° | 120.0° |
| C16 | C15 | N3 | 102.7° | 105.5° |
| C15 | C16 | C13 | 104.5° | 101.8° |
| C16 | C15 | H21 | 111.1° | 110.3° |
| C16 | C15 | H22 | 111.1° | 110.2° |
| C15 | C16 | H23 | 110.7° | 111.0° |
| C15 | C16 | H24 | 110.7° | 111.0° |
| C15 | N3 | C14 | 113.5° | 111.3° |
| N3 | C15 | H21 | 111.1° | 110.3° |
| N3 | C15 | H22 | 111.1° | 110.3° |
| C15 | N3 | H35 | 123.2° | 124.3° |
| N1 | C4 | O5 | 125.3° | 120.0° |
| C4 | N1 | C5 | 121.2° | 120.0° |
| C4 | N1 | H33 | 119.4° | 119.9° |
| N1 | C5 | C10 | 112.9° | 109.5° |
| N1 | C5 | C6 | 109.5° | 109.5° |
| N1 | C5 | H7 | 108.8° | 109.5° |
| C5 | N1 | H33 | 119.4° | 120.0° |
| O4 | C10 | C5 | 120.5° | 120.0° |
| O4 | C10 | N2 | 123.8° | 120.0° |
| C16 | C13 | C14 | 103.3° | 104.2° |
| C16 | C13 | C12 | 114.4° | 110.5° |
| C16 | C13 | H20 | 108.7° | 110.6° |
| C13 | C16 | H23 | 110.7° | 111.0° |
| C13 | C16 | H24 | 110.7° | 111.0° |
| N3 | C14 | C13 | 108.7° | 110.1° |
| N3 | C14 | O2 | 125.6° | 124.9° |
| C14 | N3 | H35 | 123.3° | 124.3° |
| C5 | C10 | N2 | 115.7° | 120.0° |
| C10 | C5 | C6 | 109.7° | 109.5° |
| C10 | C5 | H7 | 107.9° | 109.5° |
| C10 | N2 | C11 | 124.2° | 120.0° |
| C10 | N2 | H34 | 117.9° | 120.0° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C6 | C5 | H7 | 107.9° | 109.4° |
| C5 | C6 | H8 | 108.1° | 109.5° |
| C5 | C6 | H9 | 108.1° | 109.5° |
| C14 | C13 | C12 | 112.8° | 110.5° |
| C13 | C14 | O2 | 125.6° | 125.0° |
| C14 | C13 | H20 | 108.7° | 110.5° |
| C13 | C12 | C11 | 114.2° | 109.5° |
| C13 | C12 | H18 | 108.3° | 109.5° |
| C13 | C12 | H19 | 108.2° | 109.5° |
| C12 | C13 | H20 | 108.7° | 110.5° |
| C6 | C7 | C8 | 111.2° | 109.5° |
| C6 | C7 | C9 | 111.0° | 109.5° |
| C7 | C6 | H8 | 108.2° | 109.5° |
| C7 | C6 | H9 | 108.1° | 109.5° |
| C6 | C7 | H10 | 107.9° | 109.5° |
| C8 | C7 | C9 | 110.4° | 109.4° |
| C8 | C7 | H10 | 108.1° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.4° |
| C9 | C7 | H10 | 108.1° | 109.4° |
| C7 | C9 | H14 | 109.5° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.5° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| N2 | C11 | C12 | 110.5° | 109.5° |
| N2 | C11 | C17 | 109.4° | 109.5° |
| N2 | C11 | H17 | 109.0° | 109.5° |
| C11 | N2 | H34 | 117.9° | 120.0° |
| C12 | C11 | C17 | 111.6° | 109.5° |
| C12 | C11 | H17 | 108.1° | 109.4° |
| C11 | C12 | H18 | 108.2° | 109.4° |
| C11 | C12 | H19 | 108.3° | 109.5° |
| C11 | C17 | O3 | 110.8° | 109.5° |
| C11 | C17 | S2 | 111.4° | 109.5° |
| C17 | C11 | H17 | 108.2° | 109.5° |
| C11 | C17 | H25 | 108.7° | 109.5° |
| O3 | C17 | S2 | 109.8° | 109.5° |
| C17 | O3 | H6 | 109.5° | 114.1° |
| O3 | C17 | H25 | 110.4° | 109.5° |
| S2 | C17 | H25 | 105.6° | 109.4° |
| C17 | S2 | O6 | 104.6° | 110.5° |
| C17 | S2 | O7 | 60.1° | 110.6° |
| C17 | S2 | O8 | 60.1° | 104.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.4° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 110.3° |
| H23 | C16 | H24 | 109.5° | 110.9° |
| H26 | C18 | H27 | 109.4° | 109.5° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| O6 | S2 | O7 | 96.3° | 121.0° |
| O6 | S2 | O8 | 96.3° | 104.3° |
| O7 | S2 | O8 | 0.0° | 104.2° |
| S2 | O8 | H37 | 90.0° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H30 | 180.0° | 179.9° |
| C22 | C21 | C20 | H29 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.1° |
| C22 | C21 | C20 | N4 | 178.7° | 179.9° |
| C22 | C21 | C20 | C25 | 0.4° | 0.2° |
| C21 | C22 | C23 | H31 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | H31 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | C22 | C21 | H29 | 179.9° | 180.0° |
| C22 | C23 | C24 | H32 | 179.9° | 180.0° |
| C21 | C20 | N4 | C25 | 178.4° | 179.9° |
| C21 | C20 | N4 | C19 | 178.8° | 179.9° |
| C21 | C20 | C25 | C24 | 0.5° | 0.3° |
| C21 | C20 | C25 | N5 | 179.6° | 179.8° |
| C20 | C21 | C22 | H30 | 179.9° | 180.0° |
| C21 | C20 | N4 | H36 | 1.2° | 0.1° |
| C23 | C24 | C25 | C20 | 0.2° | 0.4° |
| C23 | C24 | C25 | H32 | 180.0° | 179.8° |
| C23 | C24 | C25 | N5 | 179.8° | 179.6° |
| C24 | C23 | C22 | H30 | 179.8° | 180.0° |
| C20 | N4 | C19 | H36 | 180.0° | 180.0° |
| N4 | C20 | C25 | C24 | 179.0° | 179.7° |
| N4 | C20 | C25 | N5 | 1.0° | 0.3° |
| C20 | N4 | C19 | N5 | 3.7° | 0.0° |
| C20 | N4 | C19 | S1 | 178.9° | 179.7° |
| N4 | C20 | C21 | H29 | 1.3° | 0.1° |
| C25 | C20 | N4 | C19 | 2.8° | 0.2° |
| C20 | C25 | C24 | N5 | 180.0° | 179.3° |
| C20 | C25 | N5 | C19 | 1.2° | 0.3° |
| C25 | C20 | C21 | H29 | 179.6° | 179.8° |
| C20 | C25 | C24 | H32 | 179.8° | 179.9° |
| C25 | C20 | N4 | H36 | 177.2° | 179.8° |
| N4 | C19 | N5 | C25 | 3.2° | 0.2° |
| N4 | C19 | N5 | S1 | 175.6° | 179.7° |
| N4 | C19 | S1 | C2 | 116.4° | 179.7° |
| C24 | C25 | N5 | C19 | 178.7° | 179.6° |
| C25 | C24 | C23 | H31 | 179.9° | 179.8° |
| C25 | N5 | C19 | S1 | 178.8° | 179.9° |
| N5 | C25 | C24 | H32 | 0.2° | 0.6° |
| N5 | C19 | S1 | C2 | 68.7° | 0.1° |
| N5 | C19 | N4 | H36 | 176.3° | 180.0° |
| C19 | S1 | C2 | C1 | 67.0° | 60.0° |
| C19 | S1 | C2 | C3 | 51.8° | 180.0° |
| C19 | S1 | C2 | C18 | 173.4° | 60.0° |
| S1 | C19 | N4 | H36 | 1.0° | 0.3° |
| C1 | C2 | S1 | C3 | 118.8° | 120.0° |
| C1 | C2 | S1 | C18 | 119.6° | 120.0° |
| C1 | C2 | C3 | C18 | 117.8° | 120.0° |
| C1 | C2 | C3 | O1 | 56.4° | 60.1° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 63.3° | 60.0° |
| C1 | C2 | C3 | H5 | 176.2° | 180.0° |
| C1 | C2 | C18 | H26 | 180.0° | 60.0° |
| C1 | C2 | C18 | H27 | 60.0° | 180.0° |
| C1 | C2 | C18 | H28 | 60.0° | 60.0° |
| S1 | C2 | C3 | C18 | 122.5° | 120.0° |
| S1 | C2 | C3 | O1 | 176.1° | 180.0° |
| S1 | C2 | C1 | H1 | 180.0° | 60.0° |
| S1 | C2 | C1 | H2 | 60.0° | 60.0° |
| S1 | C2 | C1 | H3 | 60.0° | 179.9° |
| S1 | C2 | C3 | H4 | 56.4° | 59.9° |
| S1 | C2 | C3 | H5 | 64.2° | 60.0° |
| S1 | C2 | C18 | H26 | 60.7° | 60.0° |
| S1 | C2 | C18 | H27 | 59.2° | 60.0° |
| S1 | C2 | C18 | H28 | 179.3° | 180.0° |
| C2 | C3 | O1 | H4 | 119.7° | 120.0° |
| C2 | C3 | O1 | H5 | 119.8° | 119.9° |
| C2 | C3 | O1 | C4 | 142.2° | 180.0° |
| C3 | C2 | C1 | H1 | 57.5° | 60.0° |
| C3 | C2 | C1 | H2 | 177.5° | 180.0° |
| C3 | C2 | C1 | H3 | 62.5° | 60.1° |
| C2 | C3 | H4 | H5 | 120.8° | 119.9° |
| C3 | C2 | C18 | H26 | 63.6° | 180.0° |
| C3 | C2 | C18 | H27 | 176.5° | 60.0° |
| C3 | C2 | C18 | H28 | 56.4° | 60.0° |
| C18 | C2 | C3 | O1 | 61.4° | 60.0° |
| C18 | C2 | C1 | H1 | 59.8° | 180.0° |
| C18 | C2 | C1 | H2 | 60.2° | 60.0° |
| C18 | C2 | C1 | H3 | 179.8° | 60.0° |
| C18 | C2 | C3 | H4 | 178.9° | 179.9° |
| C18 | C2 | C3 | H5 | 58.4° | 60.0° |
| C2 | C18 | H26 | H27 | 120.0° | 120.0° |
| C2 | C18 | H26 | H28 | 120.0° | 120.0° |
| C2 | C18 | H27 | H28 | 120.0° | 120.0° |
| C3 | O1 | C4 | N1 | 168.9° | 180.0° |
| C3 | O1 | C4 | O5 | 12.6° | 0.1° |
| O1 | C3 | H4 | H5 | 120.8° | 120.1° |
| O1 | C4 | N1 | O5 | 178.5° | 179.9° |
| O1 | C4 | N1 | C5 | 169.9° | 174.9° |
| C4 | O1 | C3 | H4 | 98.0° | 59.9° |
| C4 | O1 | C3 | H5 | 22.5° | 60.1° |
| O1 | C4 | N1 | H33 | 10.1° | 5.0° |
| C16 | C15 | N3 | H21 | 118.9° | 119.0° |
| C16 | C15 | N3 | H22 | 118.9° | 119.0° |
| C15 | C16 | C13 | H23 | 119.2° | 118.1° |
| C15 | C16 | C13 | H24 | 119.2° | 118.1° |
| C16 | C15 | N3 | C14 | 19.8° | 17.0° |
| C15 | C16 | C13 | C14 | 23.9° | 24.8° |
| C15 | C16 | C13 | C12 | 146.9° | 93.9° |
| C15 | C16 | C13 | H20 | 91.5° | 143.5° |
| C16 | C15 | H21 | H22 | 123.1° | 122.0° |
| C15 | C16 | H23 | H24 | 122.3° | 123.8° |
| C16 | C15 | N3 | H35 | 160.2° | 163.0° |
| N3 | C15 | C16 | C13 | 26.2° | 25.4° |
| C15 | N3 | C14 | H35 | 180.0° | 180.0° |
| C15 | N3 | C14 | C13 | 4.5° | 0.4° |
| C15 | N3 | C14 | O2 | 175.6° | 179.6° |
| N3 | C15 | H21 | H22 | 123.1° | 122.0° |
| N3 | C15 | C16 | H23 | 145.4° | 143.5° |
| N3 | C15 | C16 | H24 | 93.0° | 92.7° |
| C4 | N1 | C5 | H33 | 180.0° | 180.0° |
| C4 | N1 | C5 | C10 | 76.1° | 158.1° |
| C4 | N1 | C5 | C6 | 161.4° | 81.9° |
| C4 | N1 | C5 | H7 | 43.7° | 38.0° |
| O5 | C4 | N1 | C5 | 11.6° | 5.0° |
| O5 | C4 | N1 | H33 | 168.4° | 175.0° |
| N1 | C5 | C10 | O4 | 34.2° | 20.5° |
| N1 | C5 | C10 | C6 | 122.4° | 120.0° |
| N1 | C5 | C10 | H7 | 120.3° | 120.0° |
| N1 | C5 | C10 | N2 | 145.6° | 159.6° |
| N1 | C5 | C6 | H7 | 118.3° | 120.0° |
| N1 | C5 | C6 | C7 | 51.2° | 176.5° |
| N1 | C5 | C6 | H8 | 69.6° | 56.5° |
| N1 | C5 | C6 | H9 | 172.0° | 63.4° |
| O4 | C10 | C5 | N2 | 179.8° | 180.0° |
| O4 | C10 | C5 | C6 | 88.2° | 99.5° |
| O4 | C10 | N2 | C11 | 5.7° | 4.8° |
| O4 | C10 | C5 | H7 | 154.5° | 140.5° |
| O4 | C10 | N2 | H34 | 174.3° | 175.2° |
| C16 | C13 | C14 | N3 | 12.7° | 16.3° |
| C16 | C13 | C14 | C12 | 124.0° | 118.7° |
| C16 | C13 | C14 | H20 | 115.3° | 118.8° |
| C16 | C13 | C12 | H20 | 121.6° | 122.7° |
| C16 | C13 | C14 | O2 | 167.2° | 163.7° |
| C16 | C13 | C12 | C11 | 65.3° | 178.8° |
| C16 | C13 | C12 | H18 | 55.3° | 61.2° |
| C16 | C13 | C12 | H19 | 174.0° | 58.8° |
| C13 | C16 | C15 | H21 | 145.1° | 93.6° |
| C13 | C16 | C15 | H22 | 92.7° | 144.4° |
| C13 | C16 | H23 | H24 | 122.3° | 123.8° |
| N3 | C14 | C13 | O2 | 179.9° | 180.0° |
| N3 | C14 | C13 | C12 | 136.7° | 102.4° |
| N3 | C14 | C13 | H20 | 102.6° | 135.0° |
| C14 | N3 | C15 | H21 | 138.7° | 102.0° |
| C14 | N3 | C15 | H22 | 99.1° | 136.0° |
| C10 | C5 | C6 | H7 | 117.2° | 120.0° |
| C10 | C5 | C6 | C7 | 175.6° | 63.4° |
| C5 | C10 | N2 | C11 | 174.5° | 175.3° |
| C10 | C5 | C6 | H8 | 54.9° | 176.5° |
| C10 | C5 | C6 | H9 | 63.6° | 56.6° |
| C10 | C5 | N1 | H33 | 103.9° | 21.9° |
| C5 | C10 | N2 | H34 | 5.5° | 4.8° |
| N2 | C10 | C5 | C6 | 92.0° | 80.4° |
| C10 | N2 | C11 | H34 | 180.0° | 180.0° |
| C10 | N2 | C11 | C12 | 114.3° | 155.0° |
| C10 | N2 | C11 | C17 | 122.5° | 85.0° |
| N2 | C10 | C5 | H7 | 25.2° | 39.5° |
| C10 | N2 | C11 | H17 | 4.4° | 35.0° |
| C5 | C6 | C7 | H8 | 120.8° | 120.0° |
| C5 | C6 | C7 | H9 | 120.8° | 120.0° |
| C5 | C6 | C7 | C8 | 176.9° | 64.7° |
| C5 | C6 | C7 | C9 | 53.6° | 175.3° |
| C5 | C6 | H8 | H9 | 117.6° | 120.0° |
| C5 | C6 | C7 | H10 | 64.7° | 55.3° |
| C6 | C5 | N1 | H33 | 18.6° | 98.2° |
| C14 | C13 | C12 | H20 | 120.7° | 122.5° |
| C14 | C13 | C12 | C11 | 177.0° | 66.4° |
| C14 | C13 | C12 | H18 | 62.4° | 53.5° |
| C14 | C13 | C12 | H19 | 56.3° | 173.6° |
| C14 | C13 | C16 | H23 | 143.1° | 142.9° |
| C14 | C13 | C16 | H24 | 95.3° | 93.3° |
| C13 | C14 | N3 | H35 | 175.5° | 179.6° |
| C12 | C13 | C14 | O2 | 43.2° | 77.6° |
| C13 | C12 | C11 | N2 | 71.1° | 67.4° |
| C13 | C12 | C11 | H18 | 120.7° | 120.0° |
| C13 | C12 | C11 | H19 | 120.7° | 120.1° |
| C13 | C12 | C11 | C17 | 167.0° | 172.5° |
| C13 | C12 | C11 | H17 | 48.1° | 52.6° |
| C13 | C12 | H18 | H19 | 117.8° | 120.1° |
| C12 | C13 | C16 | H23 | 93.9° | 24.2° |
| C12 | C13 | C16 | H24 | 27.7° | 148.0° |
| O2 | C14 | C13 | H20 | 77.5° | 44.9° |
| O2 | C14 | N3 | H35 | 4.4° | 0.4° |
| C6 | C7 | C8 | C9 | 123.7° | 120.0° |
| C6 | C7 | C8 | H10 | 118.3° | 120.1° |
| C6 | C7 | C9 | H10 | 118.2° | 120.1° |
| C7 | C6 | C5 | H7 | 67.1° | 56.6° |
| C7 | C6 | H8 | H9 | 117.6° | 120.0° |
| C6 | C7 | C8 | H11 | 180.0° | 64.1° |
| C6 | C7 | C8 | H12 | 60.0° | 175.9° |
| C6 | C7 | C8 | H13 | 60.0° | 55.9° |
| C6 | C7 | C9 | H14 | 180.0° | 60.1° |
| C6 | C7 | C9 | H15 | 60.0° | 180.0° |
| C6 | C7 | C9 | H16 | 60.0° | 60.0° |
| C8 | C7 | C9 | H10 | 118.0° | 119.9° |
| C8 | C7 | C6 | H8 | 62.3° | 55.3° |
| C8 | C7 | C6 | H9 | 56.2° | 175.3° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C7 | C9 | H14 | 56.2° | 180.0° |
| C8 | C7 | C9 | H15 | 63.8° | 60.0° |
| C8 | C7 | C9 | H16 | 176.2° | 60.0° |
| C9 | C7 | C6 | H8 | 174.4° | 64.6° |
| C9 | C7 | C6 | H9 | 67.2° | 55.3° |
| C9 | C7 | C8 | H11 | 56.3° | 55.9° |
| C9 | C7 | C8 | H12 | 176.3° | 64.1° |
| C9 | C7 | C8 | H13 | 63.7° | 175.9° |
| C7 | C9 | H14 | H15 | 120.0° | 120.0° |
| C7 | C9 | H14 | H16 | 120.0° | 120.1° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| N2 | C11 | C12 | C17 | 122.0° | 120.0° |
| N2 | C11 | C12 | H17 | 119.2° | 120.0° |
| N2 | C11 | C17 | H17 | 118.6° | 120.0° |
| N2 | C11 | C17 | O3 | 177.7° | 54.7° |
| N2 | C11 | C17 | S2 | 59.7° | 174.8° |
| N2 | C11 | C12 | H18 | 168.3° | 52.6° |
| N2 | C11 | C12 | H19 | 49.6° | 172.5° |
| N2 | C11 | C17 | H25 | 56.3° | 65.3° |
| C12 | C11 | C17 | H17 | 118.8° | 119.9° |
| C12 | C11 | C17 | O3 | 59.7° | 174.7° |
| C12 | C11 | C17 | S2 | 62.9° | 65.2° |
| C11 | C12 | H18 | H19 | 117.9° | 119.9° |
| C11 | C12 | C13 | H20 | 56.3° | 56.1° |
| C12 | C11 | C17 | H25 | 178.9° | 54.7° |
| C12 | C11 | N2 | H34 | 65.7° | 25.1° |
| C11 | C17 | O3 | S2 | 123.5° | 120.0° |
| C11 | C17 | O3 | H25 | 120.5° | 120.0° |
| C11 | C17 | S2 | H25 | 117.9° | 120.0° |
| C11 | C17 | O3 | H6 | 148.7° | 60.0° |
| C17 | C11 | C12 | H18 | 46.3° | 67.4° |
| C17 | C11 | C12 | H19 | 72.4° | 52.5° |
| C17 | C11 | N2 | H34 | 57.5° | 95.0° |
| C11 | C17 | S2 | O6 | 166.9° | 177.4° |
| C11 | C17 | S2 | O7 | 77.9° | 40.7° |
| C11 | C17 | S2 | O8 | 77.9° | 71.0° |
| O3 | C17 | S2 | H25 | 119.0° | 120.0° |
| O3 | C17 | C11 | H17 | 59.1° | 65.3° |
| O3 | C17 | S2 | O6 | 43.8° | 57.4° |
| O3 | C17 | S2 | O7 | 45.2° | 79.4° |
| O3 | C17 | S2 | O8 | 45.2° | 169.0° |
| S2 | C17 | O3 | H6 | 25.2° | 180.0° |
| S2 | C17 | C11 | H17 | 178.4° | 54.7° |
| C17 | S2 | O6 | O7 | 60.7° | 131.5° |
| C17 | S2 | O6 | O8 | 60.7° | 111.8° |
| C17 | S2 | O7 | O8 | 90.0° | 111.8° |
| C17 | S2 | O8 | H37 | 90.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | O3 | C17 | H25 | 90.8° | 60.0° |
| H7 | C5 | C6 | H8 | 172.1° | 63.5° |
| H7 | C5 | C6 | H9 | 53.7° | 176.6° |
| H7 | C5 | N1 | H33 | 136.3° | 141.9° |
| H8 | C6 | C7 | H10 | 56.1° | 175.4° |
| H9 | C6 | C7 | H10 | 174.6° | 64.7° |
| H10 | C7 | C8 | H11 | 61.7° | 175.8° |
| H10 | C7 | C8 | H12 | 58.3° | 55.8° |
| H10 | C7 | C8 | H13 | 178.3° | 64.2° |
| H10 | C7 | C9 | H14 | 61.8° | 60.0° |
| H10 | C7 | C9 | H15 | 178.2° | 60.0° |
| H10 | C7 | C9 | H16 | 58.2° | 179.9° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| H17 | C11 | C12 | H18 | 72.5° | 172.6° |
| H17 | C11 | C12 | H19 | 168.8° | 67.5° |
| H17 | C11 | C17 | H25 | 62.4° | 174.7° |
| H17 | C11 | N2 | H34 | 175.6° | 145.0° |
| H18 | C12 | C13 | H20 | 177.0° | 176.1° |
| H19 | C12 | C13 | H20 | 64.4° | 63.9° |
| H20 | C13 | C16 | H23 | 27.7° | 98.4° |
| H20 | C13 | C16 | H24 | 149.3° | 25.4° |
| H21 | C15 | C16 | H23 | 95.7° | 24.5° |
| H21 | C15 | C16 | H24 | 25.9° | 148.3° |
| H21 | C15 | N3 | H35 | 41.3° | 78.0° |
| H22 | C15 | C16 | H23 | 26.5° | 97.5° |
| H22 | C15 | C16 | H24 | 148.0° | 26.3° |
| H22 | C15 | N3 | H35 | 80.9° | 44.0° |
| H25 | C17 | S2 | O6 | 75.2° | 62.6° |
| H25 | C17 | S2 | O7 | 164.2° | 160.6° |
| H25 | C17 | S2 | O8 | 164.2° | 49.0° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H29 | C21 | C22 | H30 | 0.1° | 0.0° |
| H30 | C22 | C23 | H31 | 0.1° | 0.1° |
| H31 | C23 | C24 | H32 | 0.1° | 0.1° |
| O6 | S2 | O7 | O8 | 90.0° | 116.7° |
| O6 | S2 | O8 | H37 | 90.0° | 63.9° |
| O7 | S2 | O8 | H37 | 90.0° | 63.9° |
