UTL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C4 | sing | 1.53Å | 1.52Å | |
| F1 | C22 | sing | 1.35Å | 1.36Å | |
| C23 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | S1 | sing | 1.76Å | 1.76Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| S1 | C16 | sing | 1.81Å | 1.86Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C2 | C7 | sing | 1.51Å | 1.53Å | |
| C1 | O5 | sing | 1.35Å | 1.34Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O5 | C15 | sing | 1.45Å | 1.45Å | |
| C7 | O4 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| O3 | C14 | sing | 1.43Å | 1.42Å | |
| C8 | C14 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.55Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| C11 | O2 | doub | 1.21Å | 1.24Å | |
| C11 | N3 | sing | 1.34Å | 1.33Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | 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 | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| C14 | S2 | sing | 1.81Å | 35.50Å | |
| S2 | O6 | doub | 1.42Å | 0.00Å | |
| S2 | O7 | doub | 1.42Å | 0.00Å | |
| S2 | O8 | sing | 1.52Å | 0.00Å | |
| O8 | H28 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C4 | C5 | 110.5° | 109.5° |
| C6 | C4 | C3 | 110.8° | 109.5° |
| C6 | C4 | H16 | 108.2° | 109.5° |
| C4 | C6 | H20 | 109.5° | 109.5° |
| C4 | C6 | H21 | 109.4° | 109.5° |
| C4 | C6 | H22 | 109.5° | 109.4° |
| F1 | C22 | C23 | 118.5° | 120.0° |
| F1 | C22 | C21 | 118.5° | 119.9° |
| C22 | C23 | C24 | 118.5° | 120.0° |
| C23 | C22 | C21 | 123.1° | 120.1° |
| C22 | C23 | H32 | 120.8° | 119.9° |
| C23 | C24 | C19 | 120.3° | 120.0° |
| C23 | C24 | H12 | 119.8° | 120.0° |
| C24 | C23 | H32 | 120.8° | 120.0° |
| C22 | C21 | C20 | 118.5° | 120.1° |
| C22 | C21 | H11 | 120.8° | 119.9° |
| C24 | C19 | C20 | 119.5° | 119.9° |
| C24 | C19 | S1 | 120.2° | 120.1° |
| C19 | C24 | H12 | 119.9° | 120.0° |
| C5 | C4 | C3 | 111.0° | 109.5° |
| C5 | C4 | H16 | 108.2° | 109.5° |
| C4 | C5 | H17 | 109.5° | 109.4° |
| C4 | C5 | H18 | 109.5° | 109.5° |
| C4 | C5 | H19 | 109.5° | 109.5° |
| C4 | C3 | C2 | 115.5° | 109.5° |
| C4 | C3 | H14 | 108.0° | 109.5° |
| C4 | C3 | H15 | 107.9° | 109.5° |
| C3 | C4 | H16 | 108.1° | 109.4° |
| C21 | C20 | C19 | 120.2° | 119.9° |
| C20 | C21 | H11 | 120.8° | 120.0° |
| C21 | C20 | H31 | 119.9° | 120.0° |
| C20 | C19 | S1 | 120.3° | 120.0° |
| C19 | C20 | H31 | 119.9° | 120.1° |
| C19 | S1 | C16 | 105.6° | 103.0° |
| C3 | C2 | N1 | 110.9° | 109.5° |
| C3 | C2 | C7 | 110.7° | 109.5° |
| C3 | C2 | H13 | 107.6° | 109.5° |
| C2 | C3 | H14 | 107.9° | 109.5° |
| C2 | C3 | H15 | 107.9° | 109.4° |
| S1 | C16 | C18 | 107.8° | 109.4° |
| S1 | C16 | C15 | 112.9° | 109.5° |
| S1 | C16 | C17 | 107.4° | 109.5° |
| C2 | N1 | C1 | 120.2° | 120.0° |
| N1 | C2 | C7 | 111.3° | 109.5° |
| N1 | C2 | H13 | 108.5° | 109.5° |
| C2 | N1 | H33 | 119.9° | 120.0° |
| N1 | C1 | O1 | 125.0° | 120.0° |
| N1 | C1 | O5 | 109.8° | 120.0° |
| C1 | N1 | H33 | 119.9° | 120.0° |
| O1 | C1 | O5 | 125.1° | 120.0° |
| C2 | C7 | O4 | 120.2° | 120.0° |
| C2 | C7 | N2 | 117.0° | 120.0° |
| C7 | C2 | H13 | 107.6° | 109.4° |
| C1 | O5 | C15 | 116.3° | 117.0° |
| C18 | C16 | C15 | 108.7° | 109.5° |
| C18 | C16 | C17 | 110.4° | 109.5° |
| C16 | C18 | H3 | 109.5° | 109.5° |
| C16 | C18 | H4 | 109.5° | 109.5° |
| C16 | C18 | H5 | 109.5° | 109.5° |
| C15 | C16 | C17 | 109.6° | 109.5° |
| C16 | C15 | O5 | 108.0° | 109.5° |
| C16 | C15 | H9 | 109.8° | 109.5° |
| C16 | C15 | H10 | 109.8° | 109.5° |
| C16 | C17 | H6 | 109.5° | 109.4° |
| C16 | C17 | H7 | 109.5° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.4° |
| O5 | C15 | H9 | 109.8° | 109.5° |
| O5 | C15 | H10 | 109.8° | 109.4° |
| O4 | C7 | N2 | 122.8° | 120.0° |
| C7 | N2 | C8 | 123.4° | 120.0° |
| C7 | N2 | H34 | 118.3° | 120.0° |
| N2 | C8 | C14 | 113.3° | 109.5° |
| N2 | C8 | C9 | 111.1° | 109.4° |
| N2 | C8 | H23 | 107.1° | 109.4° |
| C8 | N2 | H34 | 118.3° | 120.0° |
| O3 | C14 | C8 | 109.2° | 109.4° |
| O3 | C14 | H27 | 125.1° | 109.5° |
| C14 | O3 | H36 | 109.5° | 114.0° |
| O3 | C14 | S2 | 139.5° | 109.5° |
| C14 | C8 | C9 | 112.0° | 109.5° |
| C14 | C8 | H23 | 106.5° | 109.5° |
| C8 | C14 | H27 | 122.4° | 109.4° |
| C8 | C14 | S2 | 50.3° | 109.5° |
| C8 | C9 | C10 | 112.0° | 109.4° |
| C9 | C8 | H23 | 106.4° | 109.5° |
| C8 | C9 | H24 | 108.9° | 109.5° |
| C8 | C9 | H25 | 108.8° | 109.4° |
| C9 | C10 | C13 | 116.8° | 110.5° |
| C9 | C10 | C11 | 115.1° | 110.4° |
| C10 | C9 | H24 | 108.8° | 109.5° |
| C10 | C9 | H25 | 108.8° | 109.5° |
| C9 | C10 | H26 | 107.4° | 110.4° |
| C13 | C10 | C11 | 101.9° | 104.2° |
| C10 | C13 | C12 | 103.1° | 101.8° |
| C10 | C13 | H1 | 111.0° | 111.0° |
| C10 | C13 | H2 | 111.1° | 111.0° |
| C13 | C10 | H26 | 107.5° | 110.5° |
| C10 | C11 | O2 | 126.0° | 125.0° |
| C10 | C11 | N3 | 108.1° | 110.1° |
| C11 | C10 | H26 | 107.5° | 110.6° |
| C13 | C12 | N3 | 102.2° | 105.5° |
| C12 | C13 | H1 | 111.0° | 111.0° |
| C12 | C13 | H2 | 111.1° | 111.0° |
| C13 | C12 | H29 | 111.3° | 110.3° |
| C13 | C12 | H30 | 111.3° | 110.3° |
| C12 | N3 | C11 | 113.2° | 111.3° |
| N3 | C12 | H29 | 111.3° | 110.3° |
| N3 | C12 | H30 | 111.3° | 110.3° |
| C12 | N3 | H35 | 123.4° | 124.4° |
| O2 | C11 | N3 | 125.9° | 124.9° |
| C11 | N3 | H35 | 123.4° | 124.4° |
| H1 | C13 | H2 | 109.5° | 110.8° |
| H3 | C18 | H4 | 109.5° | 109.4° |
| H3 | C18 | H5 | 109.4° | 109.4° |
| H4 | C18 | H5 | 109.4° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H6 | C17 | H8 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H17 | C5 | H18 | 109.5° | 109.4° |
| H17 | C5 | H19 | 109.4° | 109.5° |
| H18 | C5 | H19 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.5° | 109.5° |
| H20 | C6 | H22 | 109.5° | 109.5° |
| H21 | C6 | H22 | 109.4° | 109.5° |
| H24 | C9 | H25 | 109.5° | 109.5° |
| H27 | C14 | S2 | 91.3° | 109.5° |
| H29 | C12 | H30 | 109.4° | 110.2° |
| C14 | S2 | O6 | 90.0° | 110.6° |
| C14 | S2 | O7 | 90.0° | 110.6° |
| C14 | S2 | O8 | 90.0° | 104.4° |
| O6 | S2 | O7 | 90.0° | 121.0° |
| O6 | S2 | O8 | 90.0° | 104.3° |
| O7 | S2 | O8 | 90.0° | 104.3° |
| S2 | O8 | H28 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C4 | C5 | C3 | 123.3° | 120.0° |
| C6 | C4 | C5 | H16 | 118.2° | 120.1° |
| C6 | C4 | C3 | H16 | 118.4° | 120.0° |
| C6 | C4 | C3 | C2 | 176.2° | 65.0° |
| C6 | C4 | C3 | H14 | 62.9° | 175.0° |
| C6 | C4 | C3 | H15 | 55.3° | 55.0° |
| C6 | C4 | C5 | H17 | 180.0° | 60.0° |
| C6 | C4 | C5 | H18 | 60.0° | 60.0° |
| C6 | C4 | C5 | H19 | 60.0° | 180.0° |
| C4 | C6 | H20 | H21 | 120.0° | 120.0° |
| C4 | C6 | H20 | H22 | 120.0° | 120.0° |
| C4 | C6 | H21 | H22 | 120.0° | 119.9° |
| F1 | C22 | C23 | C21 | 179.9° | 179.5° |
| F1 | C22 | C23 | C24 | 179.9° | 179.7° |
| F1 | C22 | C21 | C20 | 179.9° | 180.0° |
| F1 | C22 | C21 | H11 | 0.1° | 0.6° |
| F1 | C22 | C23 | H32 | 0.1° | 0.6° |
| C22 | C23 | C24 | H32 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.2° | 0.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.5° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C22 | C23 | C24 | H12 | 179.8° | 179.9° |
| C24 | C23 | C22 | C21 | 0.0° | 0.3° |
| C23 | C24 | C19 | H12 | 180.0° | 179.9° |
| C23 | C24 | C19 | C20 | 0.5° | 0.0° |
| C23 | C24 | C19 | S1 | 180.0° | 179.7° |
| C22 | C21 | C20 | H11 | 180.0° | 179.4° |
| C22 | C21 | C20 | C19 | 0.3° | 0.5° |
| C22 | C21 | C20 | H31 | 179.7° | 179.4° |
| C21 | C22 | C23 | H32 | 180.0° | 180.0° |
| C24 | C19 | C20 | C21 | 0.5° | 0.3° |
| C24 | C19 | C20 | S1 | 179.5° | 179.7° |
| C24 | C19 | S1 | C16 | 90.2° | 3.5° |
| C24 | C19 | C20 | H31 | 179.5° | 179.7° |
| C19 | C24 | C23 | H32 | 179.8° | 179.7° |
| C5 | C4 | C3 | H16 | 118.5° | 120.0° |
| C5 | C4 | C3 | C2 | 60.7° | 175.0° |
| C5 | C4 | C3 | H14 | 60.2° | 55.0° |
| C5 | C4 | C3 | H15 | 178.4° | 65.0° |
| C4 | C5 | H17 | H18 | 120.0° | 119.9° |
| C4 | C5 | H17 | H19 | 120.0° | 120.0° |
| C4 | C5 | H18 | H19 | 120.0° | 120.0° |
| C5 | C4 | C6 | H20 | 180.0° | 180.0° |
| C5 | C4 | C6 | H21 | 60.0° | 60.0° |
| C5 | C4 | C6 | H22 | 60.0° | 60.0° |
| C4 | C3 | C2 | H14 | 120.9° | 120.1° |
| C4 | C3 | C2 | H15 | 120.9° | 120.0° |
| C4 | C3 | C2 | N1 | 57.9° | 65.0° |
| C4 | C3 | C2 | C7 | 178.0° | 175.0° |
| C4 | C3 | C2 | H13 | 60.7° | 55.0° |
| C4 | C3 | H14 | H15 | 117.3° | 120.0° |
| C3 | C4 | C5 | H17 | 56.7° | 60.0° |
| C3 | C4 | C5 | H18 | 176.7° | 180.0° |
| C3 | C4 | C5 | H19 | 63.3° | 60.0° |
| C3 | C4 | C6 | H20 | 56.6° | 60.0° |
| C3 | C4 | C6 | H21 | 63.4° | 180.0° |
| C3 | C4 | C6 | H22 | 176.6° | 60.0° |
| C21 | C20 | C19 | H31 | 180.0° | 179.9° |
| C21 | C20 | C19 | S1 | 180.0° | 180.0° |
| C20 | C19 | S1 | C16 | 90.2° | 176.3° |
| C19 | C20 | C21 | H11 | 179.7° | 179.9° |
| C20 | C19 | C24 | H12 | 179.5° | 179.9° |
| C19 | S1 | C16 | C18 | 59.0° | 62.9° |
| C19 | S1 | C16 | C15 | 179.0° | 177.1° |
| C19 | S1 | C16 | C17 | 60.0° | 57.1° |
| S1 | C19 | C24 | H12 | 0.0° | 0.3° |
| S1 | C19 | C20 | H31 | 0.0° | 0.1° |
| C3 | C2 | N1 | C7 | 123.7° | 120.0° |
| C3 | C2 | N1 | H13 | 118.0° | 120.0° |
| C3 | C2 | N1 | C1 | 139.6° | 85.0° |
| C3 | C2 | C7 | H13 | 117.4° | 120.0° |
| C3 | C2 | C7 | O4 | 70.0° | 120.0° |
| C3 | C2 | C7 | N2 | 110.8° | 60.0° |
| C2 | C3 | H14 | H15 | 117.2° | 119.9° |
| C2 | C3 | C4 | H16 | 57.8° | 55.0° |
| C3 | C2 | N1 | H33 | 40.3° | 94.9° |
| S1 | C16 | C18 | C15 | 122.6° | 120.0° |
| S1 | C16 | C18 | C17 | 117.1° | 120.0° |
| S1 | C16 | C15 | C17 | 119.7° | 120.0° |
| S1 | C16 | C15 | O5 | 75.2° | 180.0° |
| S1 | C16 | C18 | H3 | 180.0° | 162.5° |
| S1 | C16 | C18 | H4 | 60.0° | 42.5° |
| S1 | C16 | C18 | H5 | 60.0° | 77.6° |
| S1 | C16 | C17 | H6 | 180.0° | 168.1° |
| S1 | C16 | C17 | H7 | 60.0° | 71.9° |
| S1 | C16 | C17 | H8 | 60.0° | 48.1° |
| S1 | C16 | C15 | H9 | 165.0° | 60.0° |
| S1 | C16 | C15 | H10 | 44.6° | 60.0° |
| C2 | N1 | C1 | H33 | 180.0° | 179.9° |
| C2 | N1 | C1 | O1 | 44.6° | 0.0° |
| N1 | C2 | C7 | H13 | 118.8° | 120.0° |
| C2 | N1 | C1 | O5 | 130.0° | 180.0° |
| N1 | C2 | C7 | O4 | 53.9° | 0.0° |
| N1 | C2 | C7 | N2 | 125.4° | 180.0° |
| N1 | C2 | C3 | H14 | 178.9° | 55.0° |
| N1 | C2 | C3 | H15 | 62.9° | 175.0° |
| N1 | C1 | O1 | O5 | 173.8° | 180.0° |
| C1 | N1 | C2 | C7 | 96.6° | 155.0° |
| N1 | C1 | O5 | C15 | 166.5° | 180.0° |
| C1 | N1 | C2 | H13 | 21.6° | 35.0° |
| O1 | C1 | O5 | C15 | 8.1° | 0.0° |
| O1 | C1 | N1 | H33 | 135.3° | 179.9° |
| C2 | C7 | O4 | N2 | 179.2° | 180.0° |
| C2 | C7 | N2 | C8 | 173.8° | 180.0° |
| C7 | C2 | C3 | H14 | 57.1° | 65.0° |
| C7 | C2 | C3 | H15 | 61.1° | 55.0° |
| C7 | C2 | N1 | H33 | 83.4° | 25.1° |
| C2 | C7 | N2 | H34 | 6.2° | 0.0° |
| C1 | O5 | C15 | C16 | 103.7° | 180.0° |
| C1 | O5 | C15 | H9 | 136.5° | 60.0° |
| C1 | O5 | C15 | H10 | 16.1° | 60.0° |
| O5 | C1 | N1 | H33 | 50.1° | 0.1° |
| C18 | C16 | C15 | C17 | 120.8° | 120.1° |
| C18 | C16 | C15 | O5 | 44.3° | 60.0° |
| C16 | C18 | H3 | H4 | 120.0° | 120.0° |
| C16 | C18 | H3 | H5 | 120.0° | 120.0° |
| C16 | C18 | H4 | H5 | 120.0° | 120.1° |
| C18 | C16 | C17 | H6 | 62.7° | 48.1° |
| C18 | C16 | C17 | H7 | 57.3° | 168.2° |
| C18 | C16 | C17 | H8 | 177.3° | 71.9° |
| C18 | C16 | C15 | H9 | 75.5° | 60.0° |
| C18 | C16 | C15 | H10 | 164.1° | 180.0° |
| C16 | C15 | O5 | H9 | 119.8° | 120.0° |
| C16 | C15 | O5 | H10 | 119.7° | 120.0° |
| C15 | C16 | C18 | H3 | 57.4° | 77.6° |
| C15 | C16 | C18 | H4 | 62.7° | 162.5° |
| C15 | C16 | C18 | H5 | 177.4° | 42.4° |
| C15 | C16 | C17 | H6 | 57.0° | 72.0° |
| C15 | C16 | C17 | H7 | 177.0° | 48.1° |
| C15 | C16 | C17 | H8 | 63.0° | 168.1° |
| C16 | C15 | H9 | H10 | 120.6° | 120.0° |
| C17 | C16 | C15 | O5 | 165.1° | 60.0° |
| C17 | C16 | C18 | H3 | 62.9° | 42.5° |
| C17 | C16 | C18 | H4 | 177.0° | 77.5° |
| C17 | C16 | C18 | H5 | 57.1° | 162.4° |
| C16 | C17 | H6 | H7 | 120.0° | 120.1° |
| C16 | C17 | H6 | H8 | 120.0° | 119.9° |
| C16 | C17 | H7 | H8 | 120.0° | 120.0° |
| C17 | C16 | C15 | H9 | 45.3° | 180.0° |
| C17 | C16 | C15 | H10 | 75.1° | 60.0° |
| O5 | C15 | H9 | H10 | 120.7° | 120.0° |
| O4 | C7 | N2 | C8 | 5.4° | 0.0° |
| O4 | C7 | C2 | H13 | 172.7° | 120.0° |
| O4 | C7 | N2 | H34 | 174.6° | 180.0° |
| C7 | N2 | C8 | H34 | 180.0° | 180.0° |
| C7 | N2 | C8 | C14 | 104.9° | 99.9° |
| C7 | N2 | C8 | C9 | 128.0° | 140.2° |
| N2 | C7 | C2 | H13 | 6.6° | 60.0° |
| C7 | N2 | C8 | H23 | 12.2° | 20.2° |
| N2 | C8 | C14 | O3 | 73.0° | 65.0° |
| N2 | C8 | C14 | C9 | 126.6° | 120.0° |
| N2 | C8 | C14 | H23 | 117.5° | 120.0° |
| N2 | C8 | C9 | H23 | 116.2° | 119.9° |
| N2 | C8 | C9 | C10 | 71.9° | 66.4° |
| N2 | C8 | C9 | H24 | 48.5° | 53.6° |
| N2 | C8 | C9 | H25 | 167.7° | 173.7° |
| N2 | C8 | C14 | H27 | 126.9° | 175.0° |
| N2 | C8 | C14 | S2 | 66.3° | 55.0° |
| O3 | C14 | C8 | H27 | 160.2° | 120.0° |
| O3 | C14 | C8 | S2 | 139.2° | 120.0° |
| O3 | C14 | C8 | C9 | 160.4° | 175.0° |
| O3 | C14 | C8 | H23 | 44.5° | 55.0° |
| O3 | C14 | H27 | S2 | 160.9° | 120.1° |
| O3 | C14 | S2 | O6 | 90.0° | 171.6° |
| O3 | C14 | S2 | O7 | 90.0° | 51.6° |
| O3 | C14 | S2 | O8 | 90.0° | 60.0° |
| C14 | C8 | C9 | H23 | 116.0° | 120.1° |
| C14 | C8 | C9 | C10 | 160.3° | 173.6° |
| C14 | C8 | C9 | H24 | 79.4° | 66.4° |
| C14 | C8 | C9 | H25 | 39.9° | 53.7° |
| C8 | C14 | H27 | S2 | 42.1° | 120.0° |
| C14 | C8 | N2 | H34 | 75.0° | 80.1° |
| C8 | C14 | O3 | H36 | 180.0° | 60.0° |
| C8 | C14 | S2 | O6 | 90.0° | 68.4° |
| C8 | C14 | S2 | O7 | 90.0° | 68.4° |
| C8 | C14 | S2 | O8 | 90.0° | 180.0° |
| C8 | C9 | C10 | H24 | 120.4° | 120.0° |
| C8 | C9 | C10 | H25 | 120.4° | 119.9° |
| C8 | C9 | C10 | C13 | 56.7° | 65.8° |
| C8 | C9 | C10 | C11 | 176.2° | 179.4° |
| C8 | C9 | H24 | H25 | 118.9° | 120.0° |
| C8 | C9 | C10 | H26 | 64.1° | 56.7° |
| C9 | C8 | C14 | H27 | 0.3° | 55.1° |
| C9 | C8 | N2 | H34 | 52.0° | 39.9° |
| C9 | C8 | C14 | S2 | 60.3° | 65.0° |
| C9 | C10 | C13 | C11 | 126.4° | 118.6° |
| C9 | C10 | C13 | H26 | 120.7° | 122.5° |
| C9 | C10 | C11 | H26 | 119.7° | 122.5° |
| C9 | C10 | C13 | C12 | 158.9° | 143.4° |
| C9 | C10 | C11 | O2 | 30.7° | 45.1° |
| C9 | C10 | C11 | N3 | 149.8° | 135.0° |
| C9 | C10 | C13 | H1 | 39.9° | 25.3° |
| C9 | C10 | C13 | H2 | 82.1° | 98.4° |
| C10 | C9 | C8 | H23 | 44.3° | 53.5° |
| C10 | C9 | H24 | H25 | 118.8° | 120.0° |
| C13 | C10 | C11 | H26 | 112.9° | 118.8° |
| C10 | C13 | C12 | H1 | 118.9° | 118.1° |
| C10 | C13 | C12 | H2 | 119.0° | 118.2° |
| C10 | C13 | C12 | N3 | 31.2° | 25.4° |
| C13 | C10 | C11 | O2 | 158.2° | 163.8° |
| C13 | C10 | C11 | N3 | 22.3° | 16.3° |
| C10 | C13 | H1 | H2 | 123.0° | 123.8° |
| C13 | C10 | C9 | H24 | 177.1° | 174.1° |
| C13 | C10 | C9 | H25 | 63.7° | 54.1° |
| C10 | C13 | C12 | H29 | 150.0° | 144.5° |
| C10 | C13 | C12 | H30 | 87.6° | 93.6° |
| C11 | C10 | C13 | C12 | 32.5° | 24.8° |
| C10 | C11 | N3 | C12 | 2.4° | 0.4° |
| C10 | C11 | O2 | N3 | 179.4° | 179.9° |
| C11 | C10 | C13 | H1 | 86.4° | 93.3° |
| C11 | C10 | C13 | H2 | 151.5° | 143.0° |
| C11 | C10 | C9 | H24 | 63.4° | 59.4° |
| C11 | C10 | C9 | H25 | 55.8° | 60.7° |
| C10 | C11 | N3 | H35 | 177.6° | 179.6° |
| C13 | C12 | N3 | H29 | 118.8° | 119.0° |
| C13 | C12 | N3 | H30 | 118.8° | 119.0° |
| C13 | C12 | N3 | C11 | 18.7° | 17.0° |
| C12 | C13 | H1 | H2 | 123.0° | 123.8° |
| C12 | C13 | C10 | H26 | 80.4° | 94.0° |
| C13 | C12 | H29 | H30 | 123.4° | 121.9° |
| C13 | C12 | N3 | H35 | 161.4° | 162.9° |
| C12 | N3 | C11 | O2 | 178.2° | 179.6° |
| C12 | N3 | C11 | H35 | 180.0° | 179.9° |
| N3 | C12 | C13 | H1 | 87.7° | 92.7° |
| N3 | C12 | C13 | H2 | 150.2° | 143.6° |
| N3 | C12 | H29 | H30 | 123.4° | 122.0° |
| O2 | C11 | C10 | H26 | 88.9° | 77.5° |
| O2 | C11 | N3 | H35 | 1.8° | 0.5° |
| N3 | C11 | C10 | H26 | 90.5° | 102.5° |
| C11 | N3 | C12 | H29 | 137.5° | 136.0° |
| C11 | N3 | C12 | H30 | 100.2° | 102.0° |
| H1 | C13 | C10 | H26 | 160.6° | 147.8° |
| H1 | C13 | C12 | H29 | 31.1° | 26.3° |
| H1 | C13 | C12 | H30 | 153.4° | 148.3° |
| H2 | C13 | C10 | H26 | 38.6° | 24.2° |
| H2 | C13 | C12 | H29 | 91.0° | 97.4° |
| H2 | C13 | C12 | H30 | 31.4° | 24.6° |
| H3 | C18 | H4 | H5 | 119.9° | 119.9° |
| H6 | C17 | H7 | H8 | 120.0° | 120.0° |
| H11 | C21 | C20 | H31 | 0.3° | 0.0° |
| H12 | C24 | C23 | H32 | 0.2° | 0.3° |
| H13 | C2 | C3 | H14 | 60.3° | 175.1° |
| H13 | C2 | C3 | H15 | 178.5° | 65.0° |
| H13 | C2 | N1 | H33 | 158.4° | 145.0° |
| H14 | C3 | C4 | H16 | 178.7° | 65.0° |
| H15 | C3 | C4 | H16 | 63.1° | 175.0° |
| H16 | C4 | C5 | H17 | 61.8° | 180.0° |
| H16 | C4 | C5 | H18 | 58.2° | 60.1° |
| H16 | C4 | C5 | H19 | 178.2° | 59.9° |
| H16 | C4 | C6 | H20 | 61.8° | 59.9° |
| H16 | C4 | C6 | H21 | 178.2° | 60.1° |
| H16 | C4 | C6 | H22 | 58.3° | 180.0° |
| H17 | C5 | H18 | H19 | 120.0° | 120.0° |
| H20 | C6 | H21 | H22 | 120.0° | 120.0° |
| H23 | C8 | C9 | H24 | 164.7° | 173.6° |
| H23 | C8 | C9 | H25 | 76.1° | 66.4° |
| H23 | C8 | C14 | H27 | 115.6° | 65.0° |
| H23 | C8 | N2 | H34 | 167.8° | 159.8° |
| H23 | C8 | C14 | S2 | 176.2° | 175.0° |
| H24 | C9 | C10 | H26 | 56.3° | 63.3° |
| H25 | C9 | C10 | H26 | 175.5° | 176.7° |
| H27 | C14 | O3 | H36 | 20.5° | 179.9° |
| H27 | C14 | S2 | O6 | 90.0° | 51.6° |
| H27 | C14 | S2 | O7 | 90.0° | 171.6° |
| H27 | C14 | S2 | O8 | 90.0° | 60.0° |
| H29 | C12 | N3 | H35 | 42.5° | 43.9° |
| H30 | C12 | N3 | H35 | 79.8° | 78.0° |
| H36 | O3 | C14 | S2 | 129.3° | 60.0° |
| C14 | S2 | O6 | O7 | 90.0° | 131.6° |
| C14 | S2 | O6 | O8 | 90.0° | 111.7° |
| C14 | S2 | O7 | O8 | 90.0° | 111.7° |
| C14 | S2 | O8 | H28 | 90.0° | 180.0° |
| O6 | S2 | O7 | O8 | 90.0° | 116.7° |
| O6 | S2 | O8 | H28 | 90.0° | 63.9° |
| O7 | S2 | O8 | H28 | 90.0° | 63.9° |
