A1AHM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C13 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| N1 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C14 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.49Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C6 | N | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | S | sing | 1.81Å | 1.81Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C | C25 | sing | 1.54Å | 1.54Å | |
| C | C1 | sing | 1.55Å | 1.52Å | |
| S | C2 | sing | 1.81Å | 1.78Å | |
| O2 | C25 | sing | 1.43Å | 1.42Å | |
| C25 | C17 | sing | 1.55Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.44Å | 1.44Å | |
| C17 | O1 | sing | 1.44Å | 1.42Å | |
| C17 | N2 | sing | 1.46Å | 1.46Å | |
| C24 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C24 | C22 | doub | 1.34Å | 1.35Å | Aromatic |
| N2 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | sing | 1.46Å | 1.45Å | Aromatic |
| C18 | C21 | doub | 1.41Å | 1.40Å | Aromatic |
| C18 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| N3 | C19 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C20 | N5 | sing | 1.38Å | 1.34Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| O | H27 | sing | 0.97Å | 0.95Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| N | H33 | sing | 1.01Å | 1.00Å | |
| C15 | H35 | sing | 1.08Å | 1.08Å | |
| C14 | H36 | sing | 1.08Å | 1.08Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C10 | C13 | 106.6° | 109.5° |
| C12 | C10 | C11 | 107.3° | 109.5° |
| C12 | C10 | C9 | 111.0° | 109.5° |
| C10 | C12 | H37 | 109.5° | 109.4° |
| C10 | C12 | H38 | 109.5° | 109.5° |
| C10 | C12 | H39 | 109.5° | 109.5° |
| C13 | C10 | C11 | 109.5° | 109.4° |
| C13 | C10 | C9 | 111.6° | 109.5° |
| C10 | C13 | H18 | 109.5° | 109.5° |
| C10 | C13 | H19 | 109.5° | 109.4° |
| C10 | C13 | H20 | 109.4° | 109.4° |
| C11 | C10 | C9 | 110.6° | 109.5° |
| C10 | C11 | H23 | 109.5° | 109.4° |
| C10 | C11 | H24 | 109.5° | 109.4° |
| C10 | C11 | H25 | 109.5° | 109.5° |
| C10 | C9 | N1 | 115.1° | 119.6° |
| C10 | C9 | C8 | 124.0° | 119.6° |
| C9 | N1 | C14 | 119.0° | 121.7° |
| N1 | C9 | C8 | 120.8° | 120.8° |
| N1 | C14 | C15 | 124.0° | 120.7° |
| N1 | C14 | H36 | 118.0° | 119.6° |
| C9 | C8 | C7 | 123.7° | 120.4° |
| C9 | C8 | C16 | 117.0° | 119.2° |
| C14 | C15 | C16 | 118.9° | 119.2° |
| C14 | C15 | H35 | 120.6° | 120.4° |
| C15 | C14 | H36 | 118.0° | 119.7° |
| C7 | C8 | C16 | 119.2° | 120.4° |
| C8 | C7 | N | 113.8° | 109.5° |
| C8 | C7 | H8 | 108.4° | 109.4° |
| C8 | C7 | H9 | 108.4° | 109.4° |
| C8 | C16 | C15 | 120.2° | 118.4° |
| C8 | C16 | H1 | 119.9° | 120.8° |
| C15 | C16 | H1 | 119.9° | 120.8° |
| C16 | C15 | H35 | 120.6° | 120.4° |
| C7 | N | C6 | 112.4° | 111.0° |
| N | C7 | H8 | 108.4° | 109.5° |
| N | C7 | H9 | 108.4° | 109.5° |
| C7 | N | H33 | 108.8° | 111.0° |
| N | C6 | C5 | 110.2° | 109.5° |
| N | C6 | H10 | 109.3° | 109.4° |
| N | C6 | H11 | 109.3° | 109.4° |
| C6 | N | H33 | 108.7° | 111.0° |
| C6 | C5 | C4 | 113.7° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.5° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C6 | C5 | H14 | 108.4° | 109.5° |
| C6 | C5 | H15 | 108.4° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C4 | C5 | H14 | 108.4° | 109.5° |
| C4 | C5 | H15 | 108.4° | 109.5° |
| C5 | C4 | H16 | 108.9° | 109.5° |
| C5 | C4 | H17 | 108.8° | 109.5° |
| C4 | C3 | S | 112.1° | 109.5° |
| C3 | C4 | H16 | 108.9° | 109.5° |
| C3 | C4 | H17 | 108.9° | 109.5° |
| C4 | C3 | H21 | 108.8° | 109.5° |
| C4 | C3 | H22 | 108.8° | 109.5° |
| C3 | S | C2 | 102.7° | 103.0° |
| S | C3 | H21 | 108.8° | 109.4° |
| S | C3 | H22 | 108.8° | 109.4° |
| O | C | C25 | 113.6° | 110.5° |
| O | C | C1 | 109.1° | 110.5° |
| O | C | H26 | 111.7° | 110.6° |
| C | O | H27 | 109.5° | 114.0° |
| C25 | C | C1 | 101.4° | 104.0° |
| C | C25 | O2 | 112.0° | 110.6° |
| C | C25 | C17 | 101.5° | 104.1° |
| C | C25 | H2 | 109.9° | 110.5° |
| C25 | C | H26 | 110.2° | 110.5° |
| C | C1 | C2 | 112.7° | 110.4° |
| C | C1 | O1 | 102.4° | 104.8° |
| C | C1 | H12 | 111.6° | 110.3° |
| C1 | C | H26 | 110.4° | 110.5° |
| S | C2 | C1 | 110.0° | 109.5° |
| S | C2 | H31 | 109.3° | 109.5° |
| S | C2 | H32 | 109.3° | 109.5° |
| O2 | C25 | C17 | 111.8° | 110.5° |
| O2 | C25 | H2 | 111.5° | 110.4° |
| C25 | O2 | H13 | 109.5° | 114.0° |
| C25 | C17 | O1 | 106.9° | 104.8° |
| C25 | C17 | N2 | 115.2° | 110.4° |
| C17 | C25 | H2 | 109.8° | 110.5° |
| C25 | C17 | H28 | 108.0° | 110.3° |
| C2 | C1 | O1 | 105.0° | 110.4° |
| C2 | C1 | H12 | 111.7° | 110.4° |
| C1 | C2 | H31 | 109.3° | 109.5° |
| C1 | C2 | H32 | 109.3° | 109.5° |
| C1 | O1 | C17 | 109.3° | 105.3° |
| O1 | C1 | H12 | 112.9° | 110.4° |
| O1 | C17 | N2 | 107.8° | 110.3° |
| O1 | C17 | H28 | 109.7° | 110.4° |
| C17 | N2 | C24 | 125.7° | 125.0° |
| C17 | N2 | C18 | 126.0° | 124.9° |
| N2 | C17 | H28 | 109.1° | 110.5° |
| N2 | C24 | C22 | 110.9° | 109.8° |
| C24 | N2 | C18 | 108.1° | 110.0° |
| N2 | C24 | H3 | 124.5° | 125.1° |
| C24 | C22 | C23 | 125.6° | 126.6° |
| C24 | C22 | C21 | 106.1° | 106.8° |
| C22 | C24 | H3 | 124.6° | 125.1° |
| N2 | C18 | C21 | 108.2° | 107.1° |
| N2 | C18 | N3 | 125.9° | 134.3° |
| C23 | C22 | C21 | 128.3° | 126.7° |
| C22 | C23 | H4 | 109.5° | 109.5° |
| C22 | C23 | H5 | 109.5° | 109.4° |
| C22 | C23 | H6 | 109.5° | 109.5° |
| C22 | C21 | C18 | 106.7° | 106.2° |
| C22 | C21 | C20 | 137.2° | 135.1° |
| C21 | C18 | N3 | 125.9° | 118.5° |
| C18 | C21 | C20 | 116.0° | 118.7° |
| C18 | N3 | C19 | 112.2° | 120.7° |
| C21 | C20 | N4 | 118.5° | 118.3° |
| C21 | C20 | N5 | 123.4° | 120.9° |
| N3 | C19 | N4 | 128.5° | 122.7° |
| N3 | C19 | H7 | 115.7° | 118.6° |
| C19 | N4 | C20 | 118.8° | 121.0° |
| N4 | C19 | H7 | 115.7° | 118.6° |
| N4 | C20 | N5 | 118.1° | 120.8° |
| C20 | N5 | H29 | 109.5° | 120.0° |
| C20 | N5 | H30 | 109.5° | 120.0° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H4 | C23 | H6 | 109.5° | 109.5° |
| H5 | C23 | H6 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H16 | C4 | H17 | 109.4° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.4° |
| H23 | C11 | H25 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H29 | N5 | H30 | 109.4° | 120.0° |
| H31 | C2 | H32 | 109.5° | 109.5° |
| H37 | C12 | H38 | 109.4° | 109.5° |
| H37 | C12 | H39 | 109.5° | 109.5° |
| H38 | C12 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C10 | C13 | C11 | 115.7° | 120.0° |
| C12 | C10 | C13 | C9 | 121.4° | 120.0° |
| C12 | C10 | C11 | C9 | 121.2° | 120.0° |
| C12 | C10 | C9 | N1 | 2.7° | 114.3° |
| C12 | C10 | C9 | C8 | 176.0° | 65.9° |
| C12 | C10 | C13 | H18 | 180.0° | 60.0° |
| C12 | C10 | C13 | H19 | 60.0° | 60.0° |
| C12 | C10 | C13 | H20 | 60.0° | 180.0° |
| C12 | C10 | C11 | H23 | 180.0° | 175.7° |
| C12 | C10 | C11 | H24 | 60.0° | 55.8° |
| C12 | C10 | C11 | H25 | 60.0° | 64.2° |
| C10 | C12 | H37 | H38 | 120.0° | 119.9° |
| C10 | C12 | H37 | H39 | 120.0° | 120.0° |
| C10 | C12 | H38 | H39 | 120.0° | 120.0° |
| C13 | C10 | C11 | C9 | 123.5° | 120.0° |
| C13 | C10 | C9 | N1 | 121.5° | 5.7° |
| C13 | C10 | C9 | C8 | 57.2° | 174.1° |
| C10 | C13 | H18 | H19 | 120.0° | 120.0° |
| C10 | C13 | H18 | H20 | 120.0° | 120.0° |
| C10 | C13 | H19 | H20 | 120.0° | 120.0° |
| C13 | C10 | C11 | H23 | 64.7° | 64.3° |
| C13 | C10 | C11 | H24 | 55.3° | 175.8° |
| C13 | C10 | C11 | H25 | 175.3° | 55.8° |
| C13 | C10 | C12 | H37 | 180.0° | 78.0° |
| C13 | C10 | C12 | H38 | 60.0° | 162.1° |
| C13 | C10 | C12 | H39 | 60.0° | 42.1° |
| C11 | C10 | C9 | N1 | 116.3° | 125.6° |
| C11 | C10 | C9 | C8 | 65.1° | 54.1° |
| C11 | C10 | C13 | H18 | 64.3° | 60.0° |
| C11 | C10 | C13 | H19 | 175.7° | 180.0° |
| C11 | C10 | C13 | H20 | 55.8° | 60.0° |
| C10 | C11 | H23 | H24 | 120.0° | 119.9° |
| C10 | C11 | H23 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H25 | 120.0° | 120.0° |
| C11 | C10 | C12 | H37 | 62.7° | 42.0° |
| C11 | C10 | C12 | H38 | 57.3° | 78.0° |
| C11 | C10 | C12 | H39 | 177.2° | 162.0° |
| C10 | C9 | N1 | C8 | 178.7° | 179.7° |
| C10 | C9 | N1 | C14 | 177.1° | 180.0° |
| C10 | C9 | C8 | C7 | 7.1° | 0.3° |
| C10 | C9 | C8 | C16 | 176.4° | 179.8° |
| C9 | C10 | C13 | H18 | 58.6° | 180.0° |
| C9 | C10 | C13 | H19 | 61.4° | 60.0° |
| C9 | C10 | C13 | H20 | 178.6° | 60.0° |
| C9 | C10 | C11 | H23 | 58.8° | 55.7° |
| C9 | C10 | C11 | H24 | 178.8° | 64.2° |
| C9 | C10 | C11 | H25 | 61.2° | 175.7° |
| C9 | C10 | C12 | H37 | 58.2° | 162.0° |
| C9 | C10 | C12 | H38 | 178.2° | 42.1° |
| C9 | C10 | C12 | H39 | 61.8° | 77.9° |
| C9 | N1 | C14 | C15 | 0.2° | 0.2° |
| N1 | C9 | C8 | C7 | 174.3° | 180.0° |
| N1 | C9 | C8 | C16 | 2.2° | 0.0° |
| C9 | N1 | C14 | H36 | 179.9° | 179.7° |
| C14 | N1 | C9 | C8 | 1.6° | 0.3° |
| N1 | C14 | C15 | H36 | 180.0° | 180.0° |
| N1 | C14 | C15 | C16 | 0.6° | 0.0° |
| N1 | C14 | C15 | H35 | 179.4° | 179.9° |
| C9 | C8 | C7 | C16 | 176.4° | 180.0° |
| C9 | C8 | C16 | C15 | 1.4° | 0.2° |
| C9 | C8 | C7 | N | 124.4° | 98.9° |
| C9 | C8 | C16 | H1 | 178.6° | 180.0° |
| C9 | C8 | C7 | H8 | 3.7° | 141.1° |
| C9 | C8 | C7 | H9 | 115.0° | 21.1° |
| C14 | C15 | C16 | C8 | 0.1° | 0.2° |
| C14 | C15 | C16 | H35 | 180.0° | 179.9° |
| C14 | C15 | C16 | H1 | 179.9° | 180.0° |
| C7 | C8 | C16 | C15 | 175.2° | 179.7° |
| C8 | C7 | N | H8 | 120.6° | 120.0° |
| C8 | C7 | N | H9 | 120.6° | 120.0° |
| C8 | C7 | N | C6 | 154.6° | 177.6° |
| C7 | C8 | C16 | H1 | 4.8° | 0.0° |
| C8 | C7 | H8 | H9 | 118.1° | 119.9° |
| C8 | C7 | N | H33 | 84.9° | 53.6° |
| C8 | C16 | C15 | H1 | 180.0° | 179.7° |
| C16 | C8 | C7 | N | 59.3° | 81.2° |
| C16 | C8 | C7 | H8 | 179.9° | 38.8° |
| C16 | C8 | C7 | H9 | 61.4° | 158.8° |
| C8 | C16 | C15 | H35 | 179.9° | 179.7° |
| C16 | C15 | C14 | H36 | 179.4° | 180.0° |
| C7 | N | C6 | H33 | 120.5° | 124.0° |
| C7 | N | C6 | C5 | 162.9° | 180.0° |
| N | C7 | H8 | H9 | 118.0° | 120.1° |
| C7 | N | C6 | H10 | 77.0° | 60.0° |
| C7 | N | C6 | H11 | 42.8° | 60.0° |
| N | C6 | C5 | H10 | 120.1° | 120.0° |
| N | C6 | C5 | H11 | 120.1° | 120.0° |
| N | C6 | C5 | C4 | 153.6° | 180.0° |
| C6 | N | C7 | H8 | 34.0° | 62.5° |
| C6 | N | C7 | H9 | 84.7° | 57.6° |
| N | C6 | H10 | H11 | 119.7° | 119.9° |
| N | C6 | C5 | H14 | 85.8° | 60.0° |
| N | C6 | C5 | H15 | 33.0° | 60.0° |
| C6 | C5 | C4 | H14 | 120.6° | 120.0° |
| C6 | C5 | C4 | H15 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 174.6° | NaN° |
| C5 | C6 | H10 | H11 | 119.6° | 120.1° |
| C6 | C5 | H14 | H15 | 118.1° | 120.0° |
| C6 | C5 | C4 | H16 | 54.2° | 60.0° |
| C6 | C5 | C4 | H17 | 65.0° | 60.0° |
| C5 | C6 | N | H33 | 42.4° | 56.0° |
| C5 | C4 | C3 | H16 | 120.4° | 120.0° |
| C5 | C4 | C3 | H17 | 120.4° | 120.0° |
| C5 | C4 | C3 | S | 46.4° | 180.0° |
| C4 | C5 | C6 | H10 | 33.5° | 60.0° |
| C4 | C5 | C6 | H11 | 86.3° | 60.0° |
| C4 | C5 | H14 | H15 | 118.0° | 120.0° |
| C5 | C4 | H16 | H17 | 118.8° | 120.0° |
| C5 | C4 | C3 | H21 | 74.0° | 60.0° |
| C5 | C4 | C3 | H22 | 166.8° | 60.0° |
| C4 | C3 | S | H21 | 120.4° | 120.0° |
| C4 | C3 | S | H22 | 120.4° | 120.0° |
| C4 | C3 | S | C2 | 142.1° | 180.0° |
| C3 | C4 | C5 | H14 | 64.8° | 60.0° |
| C3 | C4 | C5 | H15 | 54.0° | 60.0° |
| C3 | C4 | H16 | H17 | 118.9° | 120.0° |
| C4 | C3 | H21 | H22 | 118.8° | 120.1° |
| C3 | S | C2 | C1 | 86.4° | 180.0° |
| S | C3 | C4 | H16 | 166.8° | 60.0° |
| S | C3 | C4 | H17 | 74.0° | 60.0° |
| S | C3 | H21 | H22 | 118.8° | 119.9° |
| C3 | S | C2 | H31 | 153.5° | 60.0° |
| C3 | S | C2 | H32 | 33.6° | 60.0° |
| O | C | C25 | C1 | 116.9° | 118.7° |
| O | C | C25 | H26 | 126.2° | 122.7° |
| O | C | C1 | H26 | 123.1° | 122.8° |
| O | C | C25 | O2 | 38.6° | 0.1° |
| O | C | C25 | C17 | 80.8° | 118.7° |
| O | C | C1 | C2 | 170.4° | 98.5° |
| O | C | C1 | O1 | 77.3° | 142.6° |
| O | C | C25 | H2 | 163.1° | 122.7° |
| O | C | C1 | H12 | 43.8° | 23.8° |
| C25 | C | C1 | H26 | 116.8° | 118.6° |
| C | C25 | O2 | C17 | 113.1° | 114.8° |
| C | C25 | O2 | H2 | 123.6° | 122.7° |
| C | C25 | C17 | H2 | 116.2° | 118.6° |
| C25 | C | C1 | C2 | 69.5° | 142.9° |
| C25 | C | C1 | O1 | 42.8° | 24.0° |
| C | C25 | C17 | O1 | 17.2° | 24.0° |
| C | C25 | C17 | N2 | 137.0° | 142.8° |
| C25 | C | C1 | H12 | 163.9° | 94.8° |
| C | C25 | O2 | H13 | 180.0° | 65.3° |
| C25 | C | O | H27 | 180.0° | 61.5° |
| C | C25 | C17 | H28 | 100.8° | 94.8° |
| C | C1 | C2 | S | 115.2° | 178.1° |
| C1 | C | C25 | O2 | 155.5° | 118.7° |
| C1 | C | C25 | C17 | 36.1° | 0.0° |
| C | C1 | C2 | O1 | 110.7° | 115.4° |
| C | C1 | C2 | H12 | 126.6° | 122.3° |
| C | C1 | O1 | H12 | 120.1° | 118.8° |
| C | C1 | O1 | C17 | 33.4° | 40.5° |
| C1 | C | C25 | H2 | 80.0° | 118.6° |
| C1 | C | O | H27 | 67.8° | 176.1° |
| C | C1 | C2 | H31 | 124.7° | 58.1° |
| C | C1 | C2 | H32 | 4.8° | 61.9° |
| S | C2 | C1 | H31 | 120.1° | 120.0° |
| S | C2 | C1 | H32 | 120.1° | 120.0° |
| S | C2 | C1 | O1 | 134.1° | 66.5° |
| S | C2 | C1 | H12 | 11.4° | 55.8° |
| C2 | S | C3 | H21 | 97.5° | 60.0° |
| C2 | S | C3 | H22 | 21.7° | 60.0° |
| S | C2 | H31 | H32 | 119.7° | 120.0° |
| O2 | C25 | C17 | H2 | 124.3° | 122.5° |
| O2 | C25 | C17 | O1 | 136.8° | 142.8° |
| O2 | C25 | C17 | N2 | 103.4° | 98.4° |
| O2 | C25 | C | H26 | 87.6° | 122.6° |
| O2 | C25 | C17 | H28 | 18.8° | 24.0° |
| C25 | C17 | O1 | C1 | 10.0° | 40.5° |
| C25 | C17 | O1 | N2 | 124.4° | 118.8° |
| C25 | C17 | O1 | H28 | 116.9° | 118.8° |
| C25 | C17 | N2 | H28 | 121.7° | 122.3° |
| C25 | C17 | N2 | C24 | 53.5° | 95.0° |
| C25 | C17 | N2 | C18 | 133.6° | 85.5° |
| C17 | C25 | O2 | H13 | 66.9° | 180.0° |
| C17 | C25 | C | H26 | 153.0° | 118.6° |
| C2 | C1 | O1 | H12 | 121.9° | 122.3° |
| C2 | C1 | O1 | C17 | 84.5° | 159.4° |
| C2 | C1 | C | H26 | 47.3° | 24.3° |
| C1 | C2 | H31 | H32 | 119.8° | 120.0° |
| C1 | O1 | C17 | N2 | 114.5° | 159.3° |
| O1 | C1 | C | H26 | 159.6° | 94.6° |
| C1 | O1 | C17 | H28 | 126.9° | 78.3° |
| O1 | C1 | C2 | H31 | 14.0° | 173.5° |
| O1 | C1 | C2 | H32 | 105.8° | 53.5° |
| O1 | C17 | N2 | H28 | 119.0° | 122.3° |
| O1 | C17 | N2 | C24 | 65.9° | 20.4° |
| O1 | C17 | N2 | C18 | 107.1° | 159.1° |
| O1 | C17 | C25 | H2 | 99.0° | 94.7° |
| C17 | O1 | C1 | H12 | 153.5° | 78.3° |
| C17 | N2 | C24 | C18 | 174.0° | 179.6° |
| C17 | N2 | C24 | C22 | 172.2° | 179.9° |
| C17 | N2 | C18 | C21 | 172.2° | 179.9° |
| C17 | N2 | C18 | N3 | 7.7° | 0.4° |
| N2 | C17 | C25 | H2 | 20.8° | 24.1° |
| C17 | N2 | C24 | H3 | 7.8° | 0.1° |
| N2 | C24 | C22 | H3 | 180.0° | 179.9° |
| N2 | C24 | C22 | C23 | 178.8° | 180.0° |
| N2 | C24 | C22 | C21 | 1.0° | 0.2° |
| C24 | N2 | C18 | C21 | 1.8° | 0.4° |
| C24 | N2 | C18 | N3 | 178.3° | 180.0° |
| C24 | N2 | C17 | H28 | 175.1° | 142.7° |
| C22 | C24 | N2 | C18 | 1.8° | 0.4° |
| C24 | C22 | C23 | C21 | 179.8° | 179.8° |
| C24 | C22 | C21 | C18 | 0.1° | 0.0° |
| C24 | C22 | C21 | C20 | 179.6° | 179.9° |
| C24 | C22 | C23 | H4 | 90.1° | 90.0° |
| C24 | C22 | C23 | H5 | 149.9° | 150.0° |
| C24 | C22 | C23 | H6 | 29.9° | 30.1° |
| N2 | C18 | C21 | C22 | 1.2° | 0.2° |
| N2 | C18 | C21 | N3 | 179.9° | 179.7° |
| N2 | C18 | C21 | C20 | 178.6° | 179.7° |
| N2 | C18 | N3 | C19 | 178.9° | 179.7° |
| C18 | N2 | C24 | H3 | 178.2° | 179.7° |
| C18 | N2 | C17 | H28 | 11.9° | 36.8° |
| C23 | C22 | C21 | C18 | 179.9° | 179.8° |
| C23 | C22 | C21 | C20 | 0.2° | 0.2° |
| C23 | C22 | C24 | H3 | 1.2° | 0.0° |
| C22 | C23 | H4 | H5 | 120.0° | 120.0° |
| C22 | C23 | H4 | H6 | 120.0° | 120.1° |
| C22 | C23 | H5 | H6 | 120.0° | 120.0° |
| C22 | C21 | C18 | C20 | 179.8° | 180.0° |
| C22 | C21 | C18 | N3 | 178.9° | 180.0° |
| C22 | C21 | C20 | N4 | 179.8° | 179.9° |
| C22 | C21 | C20 | N5 | 0.5° | 0.1° |
| C21 | C22 | C24 | H3 | 179.0° | 179.8° |
| C21 | C22 | C23 | H4 | 90.1° | 90.2° |
| C21 | C22 | C23 | H5 | 29.9° | 29.8° |
| C21 | C22 | C23 | H6 | 149.9° | 149.7° |
| C21 | C18 | N3 | C19 | 1.0° | 0.0° |
| C18 | C21 | C20 | N4 | 0.5° | 0.0° |
| C18 | C21 | C20 | N5 | 179.1° | 180.0° |
| N3 | C18 | C21 | C20 | 1.3° | 0.0° |
| C18 | N3 | C19 | N4 | 0.1° | 0.1° |
| C18 | N3 | C19 | H7 | 179.9° | 180.0° |
| C21 | C20 | N4 | C19 | 0.5° | 0.0° |
| C21 | C20 | N4 | N5 | 179.6° | 180.0° |
| C21 | C20 | N5 | H29 | 179.6° | 0.1° |
| C21 | C20 | N5 | H30 | 59.6° | 180.0° |
| N3 | C19 | N4 | H7 | 180.0° | 180.0° |
| N3 | C19 | N4 | C20 | 0.8° | 0.0° |
| C19 | N4 | C20 | N5 | 179.9° | 180.0° |
| C20 | N4 | C19 | H7 | 179.2° | 180.0° |
| N4 | C20 | N5 | H29 | 0.0° | 179.9° |
| N4 | C20 | N5 | H30 | 120.0° | 0.0° |
| C20 | N5 | H29 | H30 | 120.0° | 179.9° |
| H1 | C16 | C15 | H35 | 0.1° | 0.1° |
| H2 | C25 | O2 | H13 | 56.4° | 57.4° |
| H2 | C25 | C | H26 | 36.9° | 0.0° |
| H2 | C25 | C17 | H28 | 143.1° | 146.5° |
| H4 | C23 | H5 | H6 | 120.0° | 120.0° |
| H8 | C7 | N | H33 | 154.4° | 173.6° |
| H9 | C7 | N | H33 | 35.7° | 66.4° |
| H10 | C6 | C5 | H14 | 154.1° | 60.0° |
| H10 | C6 | C5 | H15 | 87.1° | 180.0° |
| H10 | C6 | N | H33 | 162.6° | 64.0° |
| H11 | C6 | C5 | H14 | 34.3° | 180.0° |
| H11 | C6 | C5 | H15 | 153.1° | 60.0° |
| H11 | C6 | N | H33 | 77.6° | 176.1° |
| H12 | C1 | C | H26 | 79.4° | 146.6° |
| H12 | C1 | C2 | H31 | 108.7° | 64.2° |
| H12 | C1 | C2 | H32 | 131.4° | 175.8° |
| H14 | C5 | C4 | H16 | 174.8° | NaN° |
| H14 | C5 | C4 | H17 | 55.6° | 60.0° |
| H15 | C5 | C4 | H16 | 66.4° | 60.0° |
| H15 | C5 | C4 | H17 | 174.4° | 180.0° |
| H16 | C4 | C3 | H21 | 46.4° | 180.0° |
| H16 | C4 | C3 | H22 | 72.8° | 60.0° |
| H17 | C4 | C3 | H21 | 165.7° | 60.0° |
| H17 | C4 | C3 | H22 | 46.4° | 180.0° |
| H18 | C13 | H19 | H20 | 120.0° | 120.1° |
| H23 | C11 | H24 | H25 | 120.0° | 120.0° |
| H26 | C | O | H27 | 54.6° | 61.1° |
| H35 | C15 | C14 | H36 | 0.6° | 0.1° |
| H37 | C12 | H38 | H39 | 120.0° | 120.1° |
