A1MAM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C | N1 | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| N | C2 | sing | 1.47Å | 1.48Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | sing | 1.51Å | 1.54Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | S | sing | 1.66Å | 1.71Å | |
| O | C4 | doub | 1.21Å | 1.23Å | |
| N2 | C4 | sing | 1.35Å | 1.34Å | |
| C7 | N2 | sing | 1.40Å | 1.41Å | |
| O1 | C5 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| N4 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C9 | sing | 1.48Å | 1.46Å | |
| N3 | N4 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| F | C10 | sing | 1.40Å | 1.33Å | |
| F1 | C10 | sing | 1.40Å | 1.33Å | |
| F2 | C10 | sing | 1.40Å | 1.33Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C13 | sing | 1.43Å | 1.45Å | |
| C14 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| O2 | C14 | sing | 1.36Å | 1.38Å | |
| N5 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C16 | trip | 1.14Å | 1.16Å | |
| C17 | O2 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.54Å | |
| C20 | S | sing | 1.81Å | 1.84Å | |
| O3 | S | doub | 1.42Å | 1.47Å | |
| S | O4 | doub | 1.42Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | N1 | 108.8° | 108.6° |
| C | C1 | N | 114.7° | 108.6° |
| C | C1 | H2 | 108.1° | 109.6° |
| C | C1 | H3 | 108.1° | 109.8° |
| C1 | C | H | 109.6° | 109.6° |
| C1 | C | H1 | 109.6° | 109.6° |
| C | N1 | C3 | 111.8° | 118.8° |
| C | N1 | S | 118.3° | 120.6° |
| N1 | C | H | 109.6° | 109.6° |
| N1 | C | H1 | 109.6° | 109.6° |
| C1 | N | C2 | 120.4° | 118.8° |
| C1 | N | C5 | 122.5° | 120.6° |
| N | C1 | H2 | 108.1° | 109.6° |
| N | C1 | H3 | 108.1° | 109.6° |
| C2 | N | C5 | 117.0° | 120.6° |
| N | C2 | C3 | 112.0° | 108.6° |
| N | C2 | C4 | 108.9° | 109.7° |
| N | C2 | H4 | 109.2° | 109.6° |
| N | C5 | O1 | 121.4° | 120.0° |
| N | C5 | C6 | 120.0° | 120.0° |
| C3 | C2 | C4 | 110.0° | 109.6° |
| C2 | C3 | N1 | 110.1° | 108.6° |
| C3 | C2 | H4 | 108.4° | 109.6° |
| C2 | C3 | H5 | 109.3° | 109.6° |
| C2 | C3 | H6 | 109.3° | 109.6° |
| C2 | C4 | O | 120.2° | 120.0° |
| C2 | C4 | N2 | 115.6° | 120.0° |
| C4 | C2 | H4 | 108.4° | 109.6° |
| C3 | N1 | S | 117.4° | 120.6° |
| N1 | C3 | H5 | 109.3° | 109.6° |
| N1 | C3 | H6 | 109.3° | 109.6° |
| N1 | S | C20 | 101.5° | 104.5° |
| N1 | S | O3 | 107.4° | 104.2° |
| N1 | S | O4 | 106.6° | 104.3° |
| O | C4 | N2 | 124.2° | 120.0° |
| C4 | N2 | C7 | 128.1° | 120.0° |
| C4 | N2 | H7 | 116.0° | 120.1° |
| N2 | C7 | C8 | 126.7° | 125.7° |
| N2 | C7 | N4 | 120.2° | 125.8° |
| C7 | N2 | H7 | 116.0° | 119.9° |
| O1 | C5 | C6 | 118.6° | 120.0° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.5° |
| C8 | C7 | N4 | 113.1° | 108.5° |
| C7 | C8 | C9 | 103.5° | 107.8° |
| C7 | C8 | H11 | 128.2° | 126.1° |
| C7 | N4 | N3 | 104.9° | 108.5° |
| C8 | C9 | N3 | 107.6° | 107.4° |
| C8 | C9 | C11 | 128.4° | 126.3° |
| C9 | C8 | H11 | 128.2° | 126.1° |
| N3 | C9 | C11 | 123.9° | 126.3° |
| C9 | N3 | N4 | 110.8° | 107.9° |
| C9 | N3 | C10 | 129.4° | 126.1° |
| C9 | C11 | C12 | 123.3° | 120.4° |
| C9 | C11 | C15 | 119.0° | 120.4° |
| N4 | N3 | C10 | 119.7° | 126.1° |
| N3 | C10 | F | 110.0° | 109.5° |
| N3 | C10 | F1 | 110.1° | 109.5° |
| N3 | C10 | F2 | 110.4° | 109.4° |
| F | C10 | F1 | 107.7° | 109.5° |
| F | C10 | F2 | 108.7° | 109.5° |
| F1 | C10 | F2 | 109.9° | 109.5° |
| C12 | C11 | C15 | 117.7° | 119.1° |
| C11 | C12 | C13 | 119.1° | 118.3° |
| C11 | C12 | H12 | 120.5° | 120.9° |
| C11 | C15 | N5 | 123.5° | 121.0° |
| C11 | C15 | H13 | 118.3° | 119.5° |
| C12 | C13 | C14 | 118.5° | 118.9° |
| C12 | C13 | C16 | 121.8° | 120.6° |
| C13 | C12 | H12 | 120.4° | 120.9° |
| C14 | C13 | C16 | 119.7° | 120.5° |
| C13 | C14 | N5 | 122.6° | 120.7° |
| C13 | C14 | O2 | 119.2° | 119.6° |
| C13 | C16 | N6 | 178.5° | 180.0° |
| N5 | C14 | O2 | 118.2° | 119.6° |
| C14 | N5 | C15 | 118.6° | 121.9° |
| C14 | O2 | C17 | 119.2° | 116.9° |
| N5 | C15 | H13 | 118.3° | 119.5° |
| O2 | C17 | C18 | 109.2° | 109.5° |
| O2 | C17 | C19 | 107.3° | 109.4° |
| O2 | C17 | H14 | 110.5° | 109.5° |
| C18 | C17 | C19 | 112.0° | 109.5° |
| C18 | C17 | H14 | 109.0° | 109.5° |
| C17 | C18 | H15 | 109.5° | 109.5° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C18 | H17 | 109.5° | 109.4° |
| C19 | C17 | H14 | 108.9° | 109.4° |
| C17 | C19 | H18 | 109.5° | 109.5° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| C17 | C19 | H20 | 109.5° | 109.5° |
| C20 | S | O3 | 109.4° | 110.6° |
| C20 | S | O4 | 109.1° | 110.6° |
| S | C20 | C21 | 109.2° | 109.5° |
| S | C20 | C22 | 108.3° | 109.5° |
| S | C20 | H21 | 106.8° | 109.5° |
| O3 | S | O4 | 121.0° | 121.0° |
| C21 | C20 | C22 | 112.1° | 109.5° |
| C21 | C20 | H21 | 110.1° | 109.4° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.4° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C22 | C20 | H21 | 110.2° | 109.5° |
| C20 | C22 | H25 | 109.5° | 109.5° |
| C20 | C22 | H26 | 109.5° | 109.5° |
| C20 | C22 | H27 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.5° | 109.7° |
| H10 | C6 | H8 | 109.4° | 109.5° |
| H10 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H | C | H1 | 109.5° | 109.8° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H15 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.4° |
| H25 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | N1 | H | 119.9° | 119.8° |
| C1 | C | N1 | H1 | 119.9° | 119.7° |
| C | C1 | N | H2 | 120.8° | 119.7° |
| C | C1 | N | H3 | 120.8° | 119.9° |
| C | C1 | N | C2 | 29.9° | 55.2° |
| C | C1 | N | C5 | 152.5° | 124.7° |
| C1 | C | N1 | C3 | 63.4° | 55.2° |
| C1 | C | N1 | S | 155.4° | 124.8° |
| C | C1 | H2 | H3 | 117.6° | 120.5° |
| C1 | C | H | H1 | 120.3° | 120.4° |
| N1 | C | C1 | N | 43.7° | 49.4° |
| C | N1 | C3 | C2 | 65.8° | 55.2° |
| C | N1 | C3 | S | 141.6° | 180.0° |
| C | N1 | S | C20 | 76.9° | 91.2° |
| C | N1 | S | O3 | 37.9° | 152.7° |
| C | N1 | S | O4 | 168.9° | 24.9° |
| N1 | C | C1 | H2 | 164.4° | 70.3° |
| N1 | C | C1 | H3 | 77.1° | 169.2° |
| C | N1 | C3 | H5 | 54.3° | 64.5° |
| C | N1 | C3 | H6 | 174.1° | 174.9° |
| N1 | C | H | H1 | 120.3° | 120.4° |
| C1 | N | C2 | C5 | 177.7° | 179.9° |
| C1 | N | C2 | C3 | 30.6° | 55.2° |
| C1 | N | C2 | C4 | 91.3° | 64.6° |
| C1 | N | C5 | O1 | 177.5° | 5.2° |
| C1 | N | C5 | C6 | 1.8° | 174.8° |
| N | C1 | H2 | H3 | 117.6° | 120.3° |
| C1 | N | C2 | H4 | 150.6° | 175.0° |
| N | C1 | C | H | 163.6° | 169.2° |
| N | C1 | C | H1 | 76.3° | 70.3° |
| N | C2 | C3 | C4 | 121.2° | 119.9° |
| N | C2 | C3 | H4 | 120.5° | 119.8° |
| N | C2 | C4 | H4 | 118.6° | 120.4° |
| N | C2 | C3 | N1 | 46.3° | 49.4° |
| N | C2 | C4 | O | 15.0° | 19.2° |
| N | C2 | C4 | N2 | 165.1° | 160.8° |
| C2 | N | C5 | O1 | 0.1° | 174.8° |
| C2 | N | C5 | C6 | 179.4° | 5.3° |
| C2 | N | C1 | H2 | 150.7° | 64.5° |
| C2 | N | C1 | H3 | 90.8° | 175.1° |
| N | C2 | C3 | H5 | 73.8° | 70.4° |
| N | C2 | C3 | H6 | 166.3° | 169.2° |
| C5 | N | C2 | C3 | 151.8° | 124.7° |
| C5 | N | C2 | C4 | 86.4° | 115.5° |
| N | C5 | O1 | C6 | 179.3° | 179.9° |
| C5 | N | C1 | H2 | 31.8° | 115.6° |
| C5 | N | C1 | H3 | 86.7° | 4.8° |
| C5 | N | C2 | H4 | 31.8° | 4.9° |
| N | C5 | C6 | H10 | 179.3° | 87.7° |
| N | C5 | C6 | H8 | 60.7° | 152.2° |
| N | C5 | C6 | H9 | 59.3° | 32.3° |
| C3 | C2 | C4 | H4 | 118.3° | 120.3° |
| C2 | C3 | N1 | H5 | 120.1° | 119.7° |
| C2 | C3 | N1 | H6 | 120.1° | 119.8° |
| C2 | C3 | N1 | S | 152.6° | 124.8° |
| C3 | C2 | C4 | O | 108.1° | 100.0° |
| C3 | C2 | C4 | N2 | 71.9° | 80.0° |
| C2 | C3 | H5 | H6 | 119.7° | 120.4° |
| C4 | C2 | C3 | N1 | 75.0° | 70.5° |
| C2 | C4 | O | N2 | 180.0° | 180.0° |
| C2 | C4 | N2 | C7 | 179.9° | 180.0° |
| C4 | C2 | C3 | H5 | 165.0° | 169.8° |
| C4 | C2 | C3 | H6 | 45.1° | 49.3° |
| C2 | C4 | N2 | H7 | 0.1° | 0.0° |
| C3 | N1 | S | C20 | 144.0° | 88.8° |
| C3 | N1 | S | O3 | 101.2° | 27.3° |
| C3 | N1 | S | O4 | 29.8° | 155.1° |
| N1 | C3 | C2 | H4 | 166.7° | 169.2° |
| N1 | C3 | H5 | H6 | 119.7° | 120.5° |
| C3 | N1 | C | H | 176.7° | 175.0° |
| C3 | N1 | C | H1 | 56.5° | 64.5° |
| N1 | S | C20 | O3 | 113.3° | 111.6° |
| N1 | S | C20 | O4 | 112.3° | 111.6° |
| N1 | S | O3 | O4 | 122.5° | 116.7° |
| N1 | S | C20 | C21 | 57.2° | 52.8° |
| N1 | S | C20 | C22 | 179.5° | 172.8° |
| S | N1 | C3 | H5 | 87.4° | 115.5° |
| S | N1 | C3 | H6 | 32.5° | 5.1° |
| S | N1 | C | H | 35.5° | 5.0° |
| S | N1 | C | H1 | 84.7° | 115.5° |
| N1 | S | C20 | H21 | 61.8° | 67.1° |
| O | C4 | N2 | C7 | 0.0° | 0.0° |
| O | C4 | C2 | H4 | 133.6° | 139.6° |
| O | C4 | N2 | H7 | 180.0° | 180.0° |
| C4 | N2 | C7 | H7 | 180.0° | 180.0° |
| C4 | N2 | C7 | C8 | 1.1° | 0.0° |
| C4 | N2 | C7 | N4 | 178.7° | 180.0° |
| N2 | C4 | C2 | H4 | 46.4° | 40.3° |
| N2 | C7 | C8 | N4 | 179.9° | 180.0° |
| N2 | C7 | C8 | C9 | 179.9° | 180.0° |
| N2 | C7 | N4 | N3 | 179.8° | 180.0° |
| N2 | C7 | C8 | H11 | 0.1° | 0.1° |
| O1 | C5 | C6 | H10 | 0.0° | 92.4° |
| O1 | C5 | C6 | H8 | 120.0° | 27.7° |
| O1 | C5 | C6 | H9 | 120.0° | 147.7° |
| C5 | C6 | H10 | H8 | 120.0° | 120.0° |
| C5 | C6 | H10 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | C9 | H11 | 180.0° | 179.9° |
| C7 | C8 | C9 | N3 | 0.3° | 0.0° |
| C7 | C8 | C9 | C11 | 179.5° | 180.0° |
| C8 | C7 | N4 | N3 | 0.3° | 0.0° |
| C8 | C7 | N2 | H7 | 178.8° | 180.0° |
| N4 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | N4 | N3 | C9 | 0.5° | 0.0° |
| C7 | N4 | N3 | C10 | 179.6° | 179.7° |
| N4 | C7 | N2 | H7 | 1.3° | 0.0° |
| N4 | C7 | C8 | H11 | 180.0° | 179.9° |
| C8 | C9 | N3 | C11 | 179.3° | 179.9° |
| C8 | C9 | N3 | N4 | 0.5° | 0.0° |
| C8 | C9 | N3 | C10 | 179.6° | 179.7° |
| C8 | C9 | C11 | C12 | 109.1° | 170.4° |
| C8 | C9 | C11 | C15 | 70.1° | 9.3° |
| C9 | N3 | N4 | C10 | 179.9° | 179.7° |
| C9 | N3 | C10 | F | 61.4° | 171.9° |
| C9 | N3 | C10 | F1 | 57.1° | 68.1° |
| C9 | N3 | C10 | F2 | 178.6° | 51.8° |
| N3 | C9 | C11 | C12 | 71.8° | 9.7° |
| N3 | C9 | C11 | C15 | 109.0° | 170.6° |
| N3 | C9 | C8 | H11 | 179.7° | 179.9° |
| C11 | C9 | N3 | N4 | 179.8° | 180.0° |
| C11 | C9 | N3 | C10 | 0.3° | 0.2° |
| C9 | C11 | C12 | C15 | 179.2° | 179.7° |
| C9 | C11 | C12 | C13 | 179.7° | 180.0° |
| C9 | C11 | C15 | N5 | 179.7° | 179.8° |
| C11 | C9 | C8 | H11 | 0.5° | 0.1° |
| C9 | C11 | C12 | H12 | 0.3° | 0.0° |
| C9 | C11 | C15 | H13 | 0.2° | 0.0° |
| N4 | N3 | C10 | F | 118.7° | 7.8° |
| N4 | N3 | C10 | F1 | 122.8° | 112.2° |
| N4 | N3 | C10 | F2 | 1.3° | 127.9° |
| N3 | C10 | F | F1 | 119.9° | 120.0° |
| N3 | C10 | F | F2 | 121.0° | 120.0° |
| N3 | C10 | F1 | F2 | 121.8° | 120.0° |
| F | C10 | F1 | F2 | 118.3° | 120.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | C16 | 179.8° | 180.0° |
| C12 | C11 | C15 | N5 | 0.5° | 0.5° |
| C12 | C11 | C15 | H13 | 179.5° | 179.7° |
| C15 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C15 | N5 | C14 | 0.3° | 0.5° |
| C11 | C15 | N5 | H13 | 180.0° | 179.8° |
| C15 | C11 | C12 | H12 | 179.5° | 179.8° |
| C12 | C13 | C14 | C16 | 179.6° | 180.0° |
| C12 | C13 | C14 | N5 | 0.0° | 0.0° |
| C12 | C13 | C14 | O2 | 180.0° | 179.9° |
| C12 | C13 | C16 | N6 | 123.8° | 17.7° |
| C13 | C14 | N5 | O2 | 179.9° | 179.9° |
| C13 | C14 | N5 | C15 | 0.0° | 0.2° |
| C14 | C13 | C16 | N6 | 55.8° | 162.3° |
| C13 | C14 | O2 | C17 | 178.2° | 180.0° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C16 | C13 | C14 | N5 | 179.6° | 180.0° |
| C16 | C13 | C14 | O2 | 0.4° | 0.1° |
| C16 | C13 | C12 | H12 | 0.2° | 0.0° |
| N5 | C14 | O2 | C17 | 1.7° | 0.1° |
| C14 | N5 | C15 | H13 | 179.7° | 179.7° |
| O2 | C14 | N5 | C15 | 180.0° | 179.7° |
| C14 | O2 | C17 | C18 | 141.5° | 90.0° |
| C14 | O2 | C17 | C19 | 96.9° | 150.0° |
| C14 | O2 | C17 | H14 | 21.7° | 30.1° |
| O2 | C17 | C18 | C19 | 118.7° | 120.0° |
| O2 | C17 | C18 | H14 | 120.7° | 120.1° |
| O2 | C17 | C19 | H14 | 119.6° | 120.0° |
| O2 | C17 | C18 | H15 | 180.0° | 179.9° |
| O2 | C17 | C18 | H16 | 60.0° | 60.0° |
| O2 | C17 | C18 | H17 | 60.0° | 60.0° |
| O2 | C17 | C19 | H18 | 180.0° | 60.0° |
| O2 | C17 | C19 | H19 | 60.0° | 180.0° |
| O2 | C17 | C19 | H20 | 60.0° | 60.0° |
| C18 | C17 | C19 | H14 | 120.6° | 120.0° |
| C17 | C18 | H15 | H16 | 120.0° | 120.0° |
| C17 | C18 | H15 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C18 | C17 | C19 | H18 | 60.3° | 180.0° |
| C18 | C17 | C19 | H19 | 179.7° | 60.0° |
| C18 | C17 | C19 | H20 | 59.8° | 60.0° |
| C19 | C17 | C18 | H15 | 61.3° | 60.0° |
| C19 | C17 | C18 | H16 | 58.7° | 180.0° |
| C19 | C17 | C18 | H17 | 178.7° | 60.0° |
| C17 | C19 | H18 | H19 | 120.0° | 120.0° |
| C17 | C19 | H18 | H20 | 120.0° | 120.0° |
| C17 | C19 | H19 | H20 | 120.0° | 120.0° |
| C20 | S | O3 | O4 | 128.1° | 131.6° |
| S | C20 | C21 | C22 | 120.0° | 120.0° |
| S | C20 | C21 | H21 | 116.9° | 120.0° |
| S | C20 | C22 | H21 | 116.5° | 120.0° |
| S | C20 | C21 | H22 | 180.0° | 56.4° |
| S | C20 | C21 | H23 | 60.0° | 63.7° |
| S | C20 | C21 | H24 | 60.0° | 176.3° |
| S | C20 | C22 | H25 | 180.0° | 60.0° |
| S | C20 | C22 | H26 | 60.0° | 180.0° |
| S | C20 | C22 | H27 | 60.0° | 60.0° |
| O3 | S | C20 | C21 | 170.6° | 58.8° |
| O3 | S | C20 | C22 | 67.2° | 61.2° |
| O3 | S | C20 | H21 | 51.5° | 178.7° |
| O4 | S | C20 | C21 | 55.0° | 164.4° |
| O4 | S | C20 | C22 | 67.2° | 75.6° |
| O4 | S | C20 | H21 | 174.1° | 44.5° |
| C21 | C20 | C22 | H21 | 123.0° | 120.0° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C20 | C21 | H22 | H24 | 120.0° | 120.0° |
| C20 | C21 | H23 | H24 | 120.0° | 120.0° |
| C21 | C20 | C22 | H25 | 59.5° | 180.0° |
| C21 | C20 | C22 | H26 | 179.5° | 60.0° |
| C21 | C20 | C22 | H27 | 60.5° | 60.0° |
| C22 | C20 | C21 | H22 | 60.0° | 176.4° |
| C22 | C20 | C21 | H23 | 60.0° | 56.4° |
| C22 | C20 | C21 | H24 | 180.0° | 63.7° |
| C20 | C22 | H25 | H26 | 120.0° | 120.0° |
| C20 | C22 | H25 | H27 | 120.0° | 120.0° |
| C20 | C22 | H26 | H27 | 120.0° | 120.0° |
| H2 | C1 | C | H | 75.7° | 49.5° |
| H2 | C1 | C | H1 | 44.5° | 170.0° |
| H3 | C1 | C | H | 42.8° | 71.0° |
| H3 | C1 | C | H1 | 163.0° | 49.5° |
| H4 | C2 | C3 | H5 | 46.7° | 49.4° |
| H4 | C2 | C3 | H6 | 73.2° | 71.1° |
| H10 | C6 | H8 | H9 | 120.0° | 120.0° |
| H14 | C17 | C18 | H15 | 59.3° | 60.0° |
| H14 | C17 | C18 | H16 | 179.3° | 60.1° |
| H14 | C17 | C18 | H17 | 60.7° | 180.0° |
| H14 | C17 | C19 | H18 | 60.4° | 60.0° |
| H14 | C17 | C19 | H19 | 59.6° | 60.0° |
| H14 | C17 | C19 | H20 | 179.6° | 180.0° |
| H15 | C18 | H16 | H17 | 120.0° | 120.0° |
| H18 | C19 | H19 | H20 | 120.0° | 119.9° |
| H21 | C20 | C21 | H22 | 63.1° | 63.6° |
| H21 | C20 | C21 | H23 | 176.9° | 176.3° |
| H21 | C20 | C21 | H24 | 56.9° | 56.3° |
| H21 | C20 | C22 | H25 | 63.6° | 60.0° |
| H21 | C20 | C22 | H26 | 56.5° | 59.9° |
| H21 | C20 | C22 | H27 | 176.5° | 180.0° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C22 | H26 | H27 | 120.0° | 120.0° |
