A1AOB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| N | C3 | sing | 1.46Å | 1.46Å | |
| C4 | N | sing | 1.38Å | 1.34Å | |
| C4 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.48Å | |
| O | C8 | doub | 1.22Å | 1.23Å | |
| N4 | C8 | sing | 1.35Å | 1.33Å | |
| C9 | N4 | sing | 1.46Å | 1.47Å | |
| C9 | C10 | sing | 1.55Å | 1.49Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | N5 | sing | 1.48Å | 1.47Å | |
| C12 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C13 | sing | 1.48Å | 1.46Å | |
| C13 | C9 | sing | 1.55Å | 1.53Å | |
| C7 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | S | sing | 1.77Å | 1.73Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| C22 | S | sing | 1.82Å | 1.76Å | |
| C23 | C22 | sing | 1.54Å | 1.52Å | |
| C24 | C23 | sing | 1.52Å | 1.53Å | |
| C19 | C24 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.1° | 109.5° |
| C | C1 | C3 | 112.2° | 109.5° |
| C | C1 | H6 | 107.9° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C2 | C1 | C3 | 110.9° | 109.4° |
| C2 | C1 | H6 | 107.8° | 109.5° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C3 | N | 109.0° | 109.5° |
| C1 | C3 | C16 | 112.7° | 109.5° |
| C1 | C3 | H | 107.2° | 109.4° |
| C3 | C1 | H6 | 107.8° | 109.5° |
| C3 | N | C4 | 125.0° | 120.0° |
| N | C3 | C16 | 112.1° | 109.5° |
| N | C3 | H | 108.2° | 109.5° |
| C3 | N | H10 | 105.4° | 120.0° |
| N | C4 | N1 | 119.0° | 120.8° |
| N | C4 | C15 | 121.5° | 120.8° |
| C4 | N | H10 | 105.5° | 119.9° |
| C4 | N1 | C5 | 118.2° | 121.1° |
| N1 | C4 | C15 | 119.2° | 118.3° |
| N1 | C5 | N2 | 128.8° | 122.8° |
| N1 | C5 | H11 | 115.6° | 118.7° |
| C5 | N2 | C6 | 112.2° | 120.7° |
| N2 | C5 | H11 | 115.6° | 118.6° |
| N2 | C6 | N3 | 126.2° | 134.0° |
| N2 | C6 | C15 | 125.3° | 118.6° |
| C6 | N3 | C7 | 108.3° | 108.9° |
| N3 | C6 | C15 | 108.5° | 107.4° |
| C6 | N3 | H1 | 125.9° | 125.6° |
| N3 | C7 | C8 | 122.0° | 125.5° |
| N3 | C7 | C14 | 109.1° | 109.0° |
| C7 | N3 | H1 | 125.9° | 125.5° |
| C7 | C8 | O | 120.5° | 120.0° |
| C7 | C8 | N4 | 116.8° | 120.0° |
| C8 | C7 | C14 | 128.8° | 125.5° |
| O | C8 | N4 | 122.7° | 120.0° |
| C8 | N4 | C9 | 121.7° | 120.0° |
| C8 | N4 | H12 | 119.2° | 120.0° |
| N4 | C9 | C10 | 112.5° | 110.7° |
| N4 | C9 | C13 | 114.1° | 110.7° |
| C9 | N4 | H12 | 119.2° | 120.0° |
| N4 | C9 | H2 | 109.8° | 110.8° |
| C9 | C10 | C11 | 104.6° | 105.1° |
| C10 | C9 | C13 | 101.9° | 102.9° |
| C9 | C10 | H13 | 110.7° | 110.4° |
| C9 | C10 | H14 | 110.7° | 110.4° |
| C10 | C9 | H2 | 109.4° | 110.7° |
| C10 | C11 | N5 | 107.3° | 107.0° |
| C11 | C10 | H13 | 110.7° | 110.3° |
| C11 | C10 | H14 | 110.7° | 110.3° |
| C10 | C11 | H15 | 110.0° | 109.9° |
| C10 | C11 | H16 | 110.0° | 109.9° |
| C11 | N5 | C12 | 112.6° | 111.0° |
| C11 | N5 | C13 | 106.3° | 105.9° |
| N5 | C11 | H15 | 110.0° | 109.9° |
| N5 | C11 | H16 | 110.0° | 110.0° |
| C12 | N5 | C13 | 113.4° | 111.0° |
| N5 | C12 | H19 | 109.5° | 109.5° |
| N5 | C12 | H18 | 109.5° | 109.5° |
| N5 | C12 | H17 | 109.5° | 109.5° |
| N5 | C13 | C9 | 104.9° | 103.2° |
| N5 | C13 | H20 | 110.6° | 110.7° |
| N5 | C13 | H21 | 110.6° | 110.8° |
| C9 | C13 | H20 | 110.6° | 110.7° |
| C9 | C13 | H21 | 110.6° | 110.6° |
| C13 | C9 | H2 | 108.9° | 110.7° |
| C7 | C14 | C15 | 107.0° | 107.5° |
| C7 | C14 | H22 | 126.5° | 126.2° |
| C14 | C15 | C4 | 136.6° | 134.4° |
| C14 | C15 | C6 | 107.1° | 107.2° |
| C15 | C14 | H22 | 126.5° | 126.2° |
| C4 | C15 | C6 | 116.3° | 118.4° |
| C3 | C16 | C17 | 120.7° | 120.3° |
| C3 | C16 | C21 | 121.6° | 120.3° |
| C16 | C3 | H | 107.3° | 109.5° |
| C16 | C17 | C18 | 120.9° | 119.9° |
| C17 | C16 | C21 | 117.6° | 119.4° |
| C16 | C17 | H23 | 119.5° | 120.0° |
| C17 | C18 | C19 | 122.6° | 121.0° |
| C18 | C17 | H23 | 119.5° | 120.1° |
| C17 | C18 | H24 | 118.7° | 119.5° |
| C18 | C19 | C20 | 116.1° | 118.7° |
| C18 | C19 | C24 | 119.8° | 116.6° |
| C19 | C18 | H24 | 118.7° | 119.4° |
| C19 | C20 | C21 | 121.5° | 120.2° |
| C19 | C20 | S | 121.5° | 121.9° |
| C20 | C19 | C24 | 124.0° | 124.7° |
| C20 | C21 | C16 | 121.1° | 120.7° |
| C21 | C20 | S | 116.8° | 117.9° |
| C20 | C21 | H25 | 119.4° | 119.6° |
| C16 | C21 | H25 | 119.5° | 119.7° |
| C20 | S | O1 | 108.5° | 104.4° |
| C20 | S | O2 | 106.7° | 104.4° |
| C20 | S | C22 | 105.3° | 103.6° |
| O1 | S | O2 | 117.4° | 121.3° |
| O1 | S | C22 | 108.5° | 110.6° |
| O2 | S | C22 | 109.7° | 110.6° |
| S | C22 | C23 | 109.1° | 107.0° |
| S | C22 | H26 | 109.6° | 110.0° |
| S | C22 | H27 | 109.5° | 110.0° |
| C22 | C23 | C24 | 110.2° | 109.1° |
| C23 | C22 | H26 | 109.6° | 110.0° |
| C23 | C22 | H27 | 109.6° | 110.0° |
| C22 | C23 | H29 | 109.3° | 109.5° |
| C22 | C23 | H28 | 109.3° | 109.5° |
| C23 | C24 | C19 | 112.3° | 113.9° |
| C23 | C24 | H30 | 108.8° | 108.6° |
| C23 | C24 | H31 | 108.8° | 108.6° |
| C24 | C23 | H29 | 109.3° | 109.5° |
| C24 | C23 | H28 | 109.3° | 109.5° |
| C19 | C24 | H30 | 108.8° | 108.5° |
| C19 | C24 | H31 | 108.8° | 108.6° |
| H13 | C10 | H14 | 109.5° | 110.3° |
| H20 | C13 | H21 | 109.5° | 110.6° |
| H26 | C22 | H27 | 109.5° | 109.9° |
| H30 | C24 | H31 | 109.5° | 108.5° |
| H29 | C23 | H28 | 109.5° | 109.6° |
| H9 | C2 | H8 | 109.5° | 109.5° |
| H9 | C2 | H7 | 109.4° | 109.5° |
| H8 | C2 | H7 | 109.5° | 109.4° |
| H5 | C | H3 | 109.4° | 109.5° |
| H5 | C | H4 | 109.5° | 109.4° |
| H3 | C | H4 | 109.5° | 109.4° |
| H19 | C12 | H18 | 109.5° | 109.5° |
| H19 | C12 | H17 | 109.5° | 109.5° |
| H18 | C12 | H17 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 124.7° | 120.0° |
| C | C1 | C2 | H6 | 117.5° | 120.0° |
| C | C1 | C3 | H6 | 118.6° | 120.0° |
| C | C1 | C3 | N | 178.3° | 175.0° |
| C | C1 | C3 | C16 | 53.1° | 65.0° |
| C | C1 | C3 | H | 64.8° | 55.0° |
| C | C1 | C2 | H9 | 180.0° | 60.0° |
| C | C1 | C2 | H8 | 60.0° | 60.1° |
| C | C1 | C2 | H7 | 60.0° | 180.0° |
| C1 | C | H5 | H3 | 120.0° | 120.0° |
| C1 | C | H5 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.1° |
| C2 | C1 | C3 | H6 | 117.8° | 120.0° |
| C2 | C1 | C3 | N | 58.1° | 65.0° |
| C2 | C1 | C3 | C16 | 176.6° | 55.0° |
| C2 | C1 | C3 | H | 58.7° | 175.0° |
| C1 | C2 | H9 | H8 | 120.0° | 120.0° |
| C1 | C2 | H9 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H7 | 120.0° | 119.9° |
| C2 | C1 | C | H5 | 180.0° | 180.0° |
| C2 | C1 | C | H3 | 60.0° | 60.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C1 | C3 | N | C16 | 125.6° | 120.0° |
| C1 | C3 | N | H | 116.3° | 120.0° |
| C1 | C3 | N | C4 | 143.1° | 85.0° |
| C1 | C3 | C16 | H | 117.8° | 119.9° |
| C1 | C3 | C16 | C17 | 114.1° | 80.0° |
| C1 | C3 | C16 | C21 | 67.7° | 100.0° |
| C3 | C1 | C2 | H9 | 55.3° | 60.0° |
| C3 | C1 | C2 | H8 | 175.3° | 180.0° |
| C3 | C1 | C2 | H7 | 64.7° | 60.1° |
| C3 | C1 | C | H5 | 56.0° | 60.0° |
| C3 | C1 | C | H3 | 64.0° | 180.0° |
| C3 | C1 | C | H4 | 176.0° | 60.0° |
| C1 | C3 | N | H10 | 94.8° | 95.0° |
| C3 | N | C4 | H10 | 122.1° | 179.9° |
| C3 | N | C4 | N1 | 17.2° | 0.1° |
| C3 | N | C4 | C15 | 169.2° | 180.0° |
| N | C3 | C16 | H | 118.6° | 120.0° |
| N | C3 | C16 | C17 | 122.4° | 40.0° |
| N | C3 | C16 | C21 | 55.8° | 140.0° |
| N | C3 | C1 | H6 | 59.6° | 55.0° |
| N | C4 | N1 | C15 | 173.8° | 180.0° |
| N | C4 | N1 | C5 | 174.4° | 179.9° |
| N | C4 | C15 | C14 | 4.3° | 0.1° |
| N | C4 | C15 | C6 | 172.2° | 180.0° |
| C4 | N | C3 | C16 | 91.3° | 154.9° |
| C4 | N | C3 | H | 26.8° | 34.9° |
| C4 | N1 | C5 | N2 | 2.8° | 0.0° |
| N1 | C4 | C15 | C14 | 178.0° | 179.9° |
| N1 | C4 | C15 | C6 | 1.5° | 0.0° |
| C4 | N1 | C5 | H11 | 177.2° | 180.0° |
| N1 | C4 | N | H10 | 139.3° | 180.0° |
| N1 | C5 | N2 | H11 | 180.0° | 179.9° |
| N1 | C5 | N2 | C6 | 2.4° | 0.1° |
| C5 | N1 | C4 | C15 | 0.6° | 0.0° |
| C5 | N2 | C6 | N3 | 179.8° | 180.0° |
| C5 | N2 | C6 | C15 | 0.1° | 0.0° |
| N2 | C6 | N3 | C15 | 179.9° | 180.0° |
| N2 | C6 | N3 | C7 | 179.9° | 179.9° |
| N2 | C6 | C15 | C14 | 179.4° | 179.9° |
| N2 | C6 | C15 | C4 | 1.9° | 0.0° |
| N2 | C6 | N3 | H1 | 0.1° | 0.1° |
| C6 | N2 | C5 | H11 | 177.6° | 180.0° |
| C6 | N3 | C7 | H1 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 178.4° | 180.0° |
| C6 | N3 | C7 | C14 | 0.9° | 0.0° |
| N3 | C6 | C15 | C14 | 0.5° | 0.0° |
| N3 | C6 | C15 | C4 | 178.0° | 180.0° |
| N3 | C7 | C8 | C14 | 176.9° | 179.9° |
| N3 | C7 | C8 | O | 174.7° | 179.9° |
| N3 | C7 | C8 | N4 | 2.2° | 0.1° |
| N3 | C7 | C14 | C15 | 1.2° | 0.0° |
| C7 | N3 | C6 | C15 | 0.2° | 0.1° |
| N3 | C7 | C14 | H22 | 178.8° | 179.9° |
| C7 | C8 | O | N4 | 176.6° | 180.0° |
| C7 | C8 | N4 | C9 | 170.1° | 180.0° |
| C8 | C7 | C14 | C15 | 178.4° | 180.0° |
| C8 | C7 | N3 | H1 | 1.7° | 0.0° |
| C8 | C7 | C14 | H22 | 1.6° | 0.1° |
| C7 | C8 | N4 | H12 | 9.8° | 0.0° |
| O | C8 | N4 | C9 | 13.1° | 0.0° |
| O | C8 | C7 | C14 | 8.4° | 0.1° |
| O | C8 | N4 | H12 | 166.9° | 180.0° |
| C8 | N4 | C9 | H12 | 180.0° | 180.0° |
| C8 | N4 | C9 | C10 | 165.2° | 160.1° |
| C8 | N4 | C9 | C13 | 79.4° | 86.4° |
| N4 | C8 | C7 | C14 | 174.8° | 179.9° |
| C8 | N4 | C9 | H2 | 43.1° | 36.8° |
| N4 | C9 | C10 | C13 | 122.6° | 118.3° |
| N4 | C9 | C10 | H2 | 122.3° | 123.3° |
| N4 | C9 | C10 | C11 | 155.6° | 140.3° |
| N4 | C9 | C13 | N5 | 160.7° | 155.8° |
| N4 | C9 | C13 | H2 | 123.0° | 123.2° |
| N4 | C9 | C10 | H13 | 36.4° | 21.4° |
| N4 | C9 | C10 | H14 | 85.1° | 100.8° |
| N4 | C9 | C13 | H20 | 41.4° | 85.8° |
| N4 | C9 | C13 | H21 | 80.0° | 37.2° |
| C9 | C10 | C11 | H13 | 119.2° | 119.0° |
| C9 | C10 | C11 | H14 | 119.2° | 119.0° |
| C9 | C10 | C11 | N5 | 16.2° | 1.2° |
| C10 | C9 | C13 | N5 | 39.2° | 37.4° |
| C10 | C9 | C13 | H2 | 115.5° | 118.4° |
| C9 | C10 | H13 | H14 | 122.3° | 122.2° |
| C10 | C9 | C13 | H20 | 80.1° | 155.9° |
| C10 | C9 | C13 | H21 | 158.5° | 81.2° |
| C10 | C9 | N4 | H12 | 14.9° | 19.9° |
| C9 | C10 | C11 | H15 | 135.8° | 118.1° |
| C9 | C10 | C11 | H16 | 103.5° | 120.6° |
| C10 | C11 | N5 | H15 | 119.6° | 119.3° |
| C10 | C11 | N5 | H16 | 119.7° | 119.4° |
| C10 | C11 | N5 | C12 | 133.3° | 145.8° |
| C10 | C11 | N5 | C13 | 8.6° | 25.3° |
| C11 | C10 | C9 | C13 | 33.1° | 22.0° |
| C11 | C10 | H13 | H14 | 122.3° | 122.0° |
| C11 | C10 | C9 | H2 | 82.1° | 96.4° |
| C10 | C11 | H15 | H16 | 121.0° | 121.2° |
| C11 | N5 | C12 | C13 | 120.7° | 117.4° |
| C11 | N5 | C13 | C9 | 29.6° | 39.2° |
| N5 | C11 | C10 | H13 | 103.0° | 120.2° |
| N5 | C11 | C10 | H14 | 135.4° | 117.8° |
| C11 | N5 | C13 | H20 | 89.7° | 157.6° |
| C11 | N5 | C13 | H21 | 148.9° | 79.3° |
| C11 | N5 | C12 | H19 | 180.0° | 57.4° |
| C11 | N5 | C12 | H18 | 60.0° | 62.6° |
| C11 | N5 | C12 | H17 | 60.0° | 177.5° |
| N5 | C11 | H15 | H16 | 121.0° | 121.3° |
| C12 | N5 | C13 | C9 | 153.8° | 159.7° |
| C12 | N5 | C13 | H20 | 34.5° | 81.8° |
| C12 | N5 | C13 | H21 | 86.9° | 41.2° |
| N5 | C12 | H19 | H18 | 120.0° | 120.1° |
| N5 | C12 | H19 | H17 | 120.0° | 120.1° |
| N5 | C12 | H18 | H17 | 120.0° | 120.0° |
| C12 | N5 | C11 | H15 | 13.7° | 26.6° |
| C12 | N5 | C11 | H16 | 107.0° | 94.8° |
| N5 | C13 | C9 | H20 | 119.3° | 118.5° |
| N5 | C13 | C9 | H21 | 119.3° | 118.6° |
| N5 | C13 | H20 | H21 | 122.1° | 123.2° |
| N5 | C13 | C9 | H2 | 76.3° | 81.0° |
| C13 | N5 | C12 | H19 | 59.3° | 60.0° |
| C13 | N5 | C12 | H18 | 60.7° | 179.9° |
| C13 | N5 | C12 | H17 | 179.3° | 60.0° |
| C13 | N5 | C11 | H15 | 111.1° | 94.0° |
| C13 | N5 | C11 | H16 | 128.2° | 144.7° |
| C13 | C9 | C10 | H13 | 86.1° | 97.0° |
| C13 | C9 | C10 | H14 | 152.3° | 140.9° |
| C9 | C13 | H20 | H21 | 122.1° | 123.0° |
| C13 | C9 | N4 | H12 | 100.6° | 93.6° |
| C7 | C14 | C15 | H22 | 180.0° | 179.9° |
| C7 | C14 | C15 | C4 | 177.7° | 179.9° |
| C7 | C14 | C15 | C6 | 1.0° | 0.0° |
| C14 | C7 | N3 | H1 | 179.2° | 180.0° |
| C14 | C15 | C4 | C6 | 176.5° | 179.9° |
| C15 | C4 | N | H10 | 47.1° | 0.1° |
| C4 | C15 | C14 | H22 | 2.3° | 0.2° |
| C15 | C6 | N3 | H1 | 179.8° | 180.0° |
| C6 | C15 | C14 | H22 | 179.0° | 179.9° |
| C3 | C16 | C17 | C21 | 178.2° | 180.0° |
| C3 | C16 | C17 | C18 | 177.6° | 179.8° |
| C3 | C16 | C21 | C20 | 178.7° | 179.9° |
| C3 | C16 | C17 | H23 | 2.4° | 0.6° |
| C3 | C16 | C21 | H25 | 1.2° | 0.3° |
| C16 | C3 | C1 | H6 | 65.6° | 175.0° |
| C16 | C3 | N | H10 | 30.8° | 25.0° |
| C16 | C17 | C18 | H23 | 180.0° | 179.6° |
| C16 | C17 | C18 | C19 | 2.2° | 0.4° |
| C17 | C16 | C21 | C20 | 0.6° | 0.1° |
| C17 | C16 | C21 | H25 | 179.4° | 179.7° |
| C16 | C17 | C18 | H24 | 177.8° | 179.7° |
| C17 | C16 | C3 | H | 3.7° | 160.0° |
| C17 | C18 | C19 | H24 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.5° | 1.1° |
| C18 | C17 | C16 | C21 | 0.6° | 0.2° |
| C17 | C18 | C19 | C24 | 176.3° | 179.0° |
| C18 | C19 | C20 | C24 | 178.7° | 179.9° |
| C18 | C19 | C20 | C21 | 1.3° | 1.2° |
| C18 | C19 | C20 | S | 173.6° | 178.7° |
| C18 | C19 | C24 | C23 | 153.1° | 156.2° |
| C19 | C18 | C17 | H23 | 177.8° | 180.0° |
| C18 | C19 | C24 | H30 | 86.5° | 35.1° |
| C18 | C19 | C24 | H31 | 32.7° | 82.7° |
| C19 | C20 | C21 | S | 175.1° | 180.0° |
| C19 | C20 | C21 | C16 | 0.2° | 0.7° |
| C19 | C20 | S | O1 | 130.9° | 103.9° |
| C19 | C20 | S | O2 | 101.6° | 127.8° |
| C19 | C20 | S | C22 | 14.9° | 12.0° |
| C20 | C19 | C24 | C23 | 28.3° | 23.7° |
| C19 | C20 | C21 | H25 | 179.8° | 179.6° |
| C20 | C19 | C24 | H30 | 92.1° | 144.8° |
| C20 | C19 | C24 | H31 | 148.7° | 97.5° |
| C20 | C19 | C18 | H24 | 177.5° | 179.0° |
| C20 | C21 | C16 | H25 | 180.0° | 179.8° |
| C21 | C20 | S | O1 | 53.9° | 76.1° |
| C21 | C20 | S | O2 | 73.5° | 52.2° |
| C21 | C20 | S | C22 | 170.0° | 168.1° |
| C21 | C20 | C19 | C24 | 177.4° | 178.9° |
| C16 | C21 | C20 | S | 175.3° | 179.3° |
| C21 | C16 | C17 | H23 | 179.4° | 179.4° |
| C21 | C16 | C3 | H | 174.4° | 19.9° |
| C20 | S | O1 | O2 | 121.1° | 117.1° |
| C20 | S | O1 | C22 | 113.9° | 110.9° |
| C20 | S | O2 | C22 | 113.6° | 110.9° |
| C20 | S | C22 | C23 | 44.1° | 44.9° |
| S | C20 | C19 | C24 | 7.7° | 1.1° |
| S | C20 | C21 | H25 | 4.7° | 0.4° |
| C20 | S | C22 | H26 | 75.9° | 164.3° |
| C20 | S | C22 | H27 | 164.1° | 74.5° |
| O1 | S | O2 | C22 | 124.4° | 132.0° |
| O1 | S | C22 | C23 | 160.1° | 66.4° |
| O1 | S | C22 | H26 | 40.2° | 52.9° |
| O1 | S | C22 | H27 | 79.9° | 174.1° |
| O2 | S | C22 | C23 | 70.4° | 156.3° |
| O2 | S | C22 | H26 | 169.6° | 84.3° |
| O2 | S | C22 | H27 | 49.5° | 36.9° |
| S | C22 | C23 | H26 | 120.0° | 119.4° |
| S | C22 | C23 | H27 | 119.9° | 119.4° |
| S | C22 | C23 | C24 | 69.5° | 71.5° |
| S | C22 | H26 | H27 | 120.1° | 121.2° |
| S | C22 | C23 | H29 | 170.4° | 48.3° |
| S | C22 | C23 | H28 | 50.6° | 168.6° |
| C22 | C23 | C24 | H29 | 120.1° | 119.8° |
| C22 | C23 | C24 | H28 | 120.1° | 119.9° |
| C22 | C23 | C24 | C19 | 60.4° | 61.2° |
| C23 | C22 | H26 | H27 | 120.2° | 121.2° |
| C22 | C23 | C24 | H30 | 60.0° | 177.7° |
| C22 | C23 | C24 | H31 | 179.1° | 59.9° |
| C22 | C23 | H29 | H28 | 119.7° | 120.2° |
| C23 | C24 | C19 | H30 | 120.4° | 121.1° |
| C23 | C24 | C19 | H31 | 120.4° | 121.1° |
| C24 | C23 | C22 | H26 | 50.5° | 169.1° |
| C24 | C23 | C22 | H27 | 170.6° | 47.9° |
| C23 | C24 | H30 | H31 | 118.7° | 117.9° |
| C24 | C23 | H29 | H28 | 119.7° | 120.2° |
| C19 | C24 | H30 | H31 | 118.7° | 117.8° |
| C19 | C24 | C23 | H29 | 179.5° | 58.6° |
| C19 | C24 | C23 | H28 | 59.7° | 178.9° |
| C24 | C19 | C18 | H24 | 3.7° | 0.9° |
| H13 | C10 | C9 | H2 | 158.7° | 144.7° |
| H13 | C10 | C11 | H15 | 16.6° | 0.9° |
| H13 | C10 | C11 | H16 | 137.3° | 120.4° |
| H14 | C10 | C9 | H2 | 37.1° | 22.5° |
| H14 | C10 | C11 | H15 | 104.9° | 122.9° |
| H14 | C10 | C11 | H16 | 15.7° | 1.6° |
| H20 | C13 | C9 | H2 | 164.4° | 37.5° |
| H21 | C13 | C9 | H2 | 43.0° | 160.4° |
| H23 | C17 | C18 | H24 | 2.2° | 0.1° |
| H26 | C22 | C23 | H29 | 69.6° | 71.1° |
| H26 | C22 | C23 | H28 | 170.6° | 49.2° |
| H27 | C22 | C23 | H29 | 50.5° | 167.7° |
| H27 | C22 | C23 | H28 | 69.3° | 72.0° |
| H30 | C24 | C23 | H29 | 60.1° | 62.5° |
| H30 | C24 | C23 | H28 | 179.9° | 57.8° |
| H31 | C24 | C23 | H29 | 59.0° | 179.7° |
| H31 | C24 | C23 | H28 | 60.8° | 60.0° |
| H | C3 | C1 | H6 | 176.5° | 65.0° |
| H | C3 | N | H10 | 148.9° | 145.0° |
| H6 | C1 | C2 | H9 | 62.5° | 180.0° |
| H6 | C1 | C2 | H8 | 57.5° | 59.9° |
| H6 | C1 | C2 | H7 | 177.5° | 60.0° |
| H6 | C1 | C | H5 | 62.6° | 60.0° |
| H6 | C1 | C | H3 | 177.4° | 60.0° |
| H6 | C1 | C | H4 | 57.4° | 180.0° |
| H9 | C2 | H8 | H7 | 120.0° | 120.0° |
| H5 | C | H3 | H4 | 120.0° | 119.9° |
| H12 | N4 | C9 | H2 | 136.9° | 143.2° |
| H19 | C12 | H18 | H17 | 120.0° | 119.9° |
