A1ANZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| N | C3 | sing | 1.46Å | 1.46Å | |
| C4 | N | sing | 1.38Å | 1.37Å | |
| C4 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | N2 | doub | 1.31Å | 1.33Å | 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 | 1.48Å | 1.47Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| N4 | C11 | sing | 1.32Å | 1.33Å | Aromatic |
| O | C11 | sing | 1.36Å | 1.36Å | |
| C12 | O | sing | 1.43Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N5 | C13 | sing | 1.47Å | 1.46Å | |
| C14 | N5 | sing | 1.47Å | 1.47Å | |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| C11 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.46Å | 1.43Å | Aromatic |
| C18 | C4 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | S | sing | 1.76Å | 1.75Å | |
| O1 | S | doub | 1.42Å | 1.45Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| C25 | S | sing | 1.82Å | 1.76Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| C27 | C26 | sing | 1.52Å | 1.51Å | |
| C22 | C27 | sing | 1.50Å | 1.51Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.0° | 109.4° |
| C | C1 | C3 | 111.7° | 109.5° |
| C | C1 | H5 | 108.1° | 109.5° |
| C1 | C | H3 | 109.5° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C2 | C1 | C3 | 110.9° | 109.5° |
| C2 | C1 | H5 | 108.0° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.4° |
| C1 | C2 | H6 | 109.5° | 109.5° |
| C1 | C3 | N | 109.8° | 109.5° |
| C1 | C3 | C19 | 112.7° | 109.5° |
| C1 | C3 | H | 107.3° | 109.5° |
| C3 | C1 | H5 | 107.9° | 109.5° |
| C3 | N | C4 | 124.1° | 120.0° |
| N | C3 | C19 | 111.0° | 109.5° |
| N | C3 | H | 108.4° | 109.4° |
| C3 | N | H9 | 105.7° | 120.0° |
| N | C4 | N1 | 119.8° | 120.8° |
| N | C4 | C18 | 121.5° | 120.9° |
| C4 | N | H9 | 105.7° | 119.9° |
| C4 | N1 | C5 | 117.8° | 121.0° |
| N1 | C4 | C18 | 118.7° | 118.3° |
| N1 | C5 | N2 | 128.9° | 122.7° |
| N1 | C5 | H10 | 115.6° | 118.6° |
| C5 | N2 | C6 | 112.5° | 120.8° |
| N2 | C5 | H10 | 115.6° | 118.7° |
| N2 | C6 | N3 | 126.4° | 134.1° |
| N2 | C6 | C18 | 125.4° | 118.5° |
| C6 | N3 | C7 | 108.5° | 109.9° |
| N3 | C6 | C18 | 108.2° | 107.4° |
| C6 | N3 | H1 | 125.8° | 125.0° |
| N3 | C7 | C8 | 122.1° | 125.3° |
| N3 | C7 | C17 | 108.9° | 109.4° |
| C7 | N3 | H1 | 125.8° | 125.0° |
| C7 | C8 | C9 | 119.4° | 120.9° |
| C7 | C8 | C16 | 121.9° | 120.9° |
| C8 | C7 | C17 | 129.0° | 125.3° |
| C8 | C9 | C10 | 118.6° | 119.1° |
| C9 | C8 | C16 | 118.7° | 118.2° |
| C8 | C9 | H11 | 120.7° | 120.5° |
| C9 | C10 | N4 | 124.1° | 121.0° |
| C9 | C10 | H12 | 118.0° | 119.5° |
| C10 | C9 | H11 | 120.7° | 120.4° |
| C10 | N4 | C11 | 116.8° | 122.0° |
| N4 | C10 | H12 | 118.0° | 119.5° |
| N4 | C11 | O | 119.2° | 119.6° |
| N4 | C11 | C16 | 124.4° | 120.8° |
| C11 | O | C12 | 117.9° | 117.1° |
| O | C11 | C16 | 116.4° | 119.7° |
| O | C12 | C13 | 111.6° | 109.5° |
| O | C12 | H14 | 108.9° | 109.4° |
| O | C12 | H13 | 108.9° | 109.5° |
| C12 | C13 | N5 | 116.6° | 109.5° |
| C12 | C13 | H16 | 107.6° | 109.5° |
| C12 | C13 | H15 | 107.6° | 109.4° |
| C13 | C12 | H14 | 108.9° | 109.5° |
| C13 | C12 | H13 | 108.9° | 109.5° |
| C13 | N5 | C14 | 109.7° | 111.0° |
| C13 | N5 | C15 | 111.2° | 111.0° |
| N5 | C13 | H16 | 107.7° | 109.5° |
| N5 | C13 | H15 | 107.7° | 109.5° |
| C14 | N5 | C15 | 109.5° | 111.0° |
| N5 | C14 | H19 | 109.5° | 109.5° |
| N5 | C14 | H17 | 109.5° | 109.5° |
| N5 | C14 | H18 | 109.5° | 109.5° |
| N5 | C15 | H20 | 109.5° | 109.5° |
| N5 | C15 | H21 | 109.5° | 109.4° |
| N5 | C15 | H22 | 109.5° | 109.5° |
| C11 | C16 | C8 | 117.4° | 119.0° |
| C11 | C16 | H23 | 121.3° | 120.5° |
| C8 | C16 | H23 | 121.3° | 120.5° |
| C7 | C17 | C18 | 107.3° | 106.7° |
| C7 | C17 | H24 | 126.4° | 126.6° |
| C17 | C18 | C4 | 136.3° | 134.9° |
| C17 | C18 | C6 | 107.1° | 106.5° |
| C18 | C17 | H24 | 126.3° | 126.7° |
| C4 | C18 | C6 | 116.6° | 118.6° |
| C3 | C19 | C20 | 121.7° | 120.3° |
| C3 | C19 | C24 | 120.4° | 120.3° |
| C19 | C3 | H | 107.6° | 109.4° |
| C19 | C20 | C21 | 120.9° | 119.9° |
| C20 | C19 | C24 | 117.9° | 119.4° |
| C19 | C20 | H25 | 119.5° | 120.0° |
| C20 | C21 | C22 | 122.0° | 120.9° |
| C21 | C20 | H25 | 119.5° | 120.1° |
| C20 | C21 | H26 | 119.0° | 119.5° |
| C21 | C22 | C23 | 116.6° | 118.9° |
| C21 | C22 | C27 | 119.1° | 116.5° |
| C22 | C21 | H26 | 119.0° | 119.6° |
| C22 | C23 | C24 | 121.6° | 120.2° |
| C22 | C23 | S | 121.2° | 121.9° |
| C23 | C22 | C27 | 124.2° | 124.6° |
| C23 | C24 | C19 | 120.9° | 120.7° |
| C24 | C23 | S | 117.1° | 117.9° |
| C23 | C24 | H27 | 119.5° | 119.6° |
| C19 | C24 | H27 | 119.6° | 119.7° |
| C23 | S | O1 | 108.1° | 104.5° |
| C23 | S | O2 | 108.0° | 104.4° |
| C23 | S | C25 | 104.2° | 103.7° |
| O1 | S | O2 | 116.8° | 121.1° |
| O1 | S | C25 | 109.2° | 110.6° |
| O2 | S | C25 | 109.8° | 110.6° |
| S | C25 | C26 | 110.7° | 107.1° |
| S | C25 | H28 | 109.2° | 109.9° |
| S | C25 | H29 | 109.1° | 109.9° |
| C25 | C26 | C27 | 109.7° | 109.1° |
| C25 | C26 | H31 | 109.4° | 109.5° |
| C25 | C26 | H30 | 109.4° | 109.5° |
| C26 | C25 | H28 | 109.2° | 110.0° |
| C26 | C25 | H29 | 109.2° | 109.9° |
| C26 | C27 | C22 | 113.4° | 113.8° |
| C27 | C26 | H31 | 109.4° | 109.5° |
| C27 | C26 | H30 | 109.4° | 109.6° |
| C26 | C27 | H32 | 108.5° | 108.6° |
| C26 | C27 | H33 | 108.5° | 108.6° |
| C22 | C27 | H32 | 108.5° | 108.6° |
| C22 | C27 | H33 | 108.5° | 108.6° |
| H16 | C13 | H15 | 109.5° | 109.5° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H31 | C26 | H30 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 110.0° |
| H32 | C27 | H33 | 109.5° | 108.4° |
| H8 | C2 | H7 | 109.5° | 109.5° |
| H8 | C2 | H6 | 109.5° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H3 | C | H2 | 109.5° | 109.5° |
| H3 | C | H4 | 109.4° | 109.5° |
| H2 | C | H4 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.5° | 109.5° |
| H19 | C14 | H17 | 109.5° | 109.5° |
| H19 | C14 | H18 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 124.1° | 120.0° |
| C | C1 | C2 | H5 | 117.8° | 120.0° |
| C | C1 | C3 | H5 | 118.7° | 120.0° |
| C | C1 | C3 | N | 177.6° | 60.0° |
| C | C1 | C3 | C19 | 53.4° | 180.0° |
| C | C1 | C3 | H | 64.9° | 60.0° |
| C | C1 | C2 | H8 | 180.0° | 60.0° |
| C | C1 | C2 | H7 | 60.0° | 60.0° |
| C | C1 | C2 | H6 | 60.0° | 180.0° |
| C1 | C | H3 | H2 | 120.0° | 120.0° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H2 | H4 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 118.1° | 120.0° |
| C2 | C1 | C3 | N | 59.3° | 180.0° |
| C2 | C1 | C3 | C19 | 176.5° | 60.0° |
| C2 | C1 | C3 | H | 58.3° | 60.0° |
| C1 | C2 | H8 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C2 | C1 | C | H3 | 180.0° | 180.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C1 | C3 | N | C19 | 125.2° | 120.0° |
| C1 | C3 | N | H | 116.8° | 120.0° |
| C1 | C3 | N | C4 | 142.4° | 85.0° |
| C1 | C3 | C19 | H | 118.1° | 120.0° |
| C1 | C3 | C19 | C20 | 110.9° | 80.0° |
| C1 | C3 | C19 | C24 | 70.5° | 99.4° |
| C3 | C1 | C2 | H8 | 55.9° | 60.0° |
| C3 | C1 | C2 | H7 | 175.9° | 180.0° |
| C3 | C1 | C2 | H6 | 64.1° | 60.0° |
| C3 | C1 | C | H3 | 56.4° | 60.0° |
| C3 | C1 | C | H2 | 63.6° | 180.0° |
| C3 | C1 | C | H4 | 176.4° | 60.0° |
| C1 | C3 | N | H9 | 95.6° | 95.0° |
| C3 | N | C4 | H9 | 122.0° | 179.9° |
| C3 | N | C4 | N1 | 13.7° | 0.1° |
| C3 | N | C4 | C18 | 167.6° | 179.9° |
| N | C3 | C19 | H | 118.4° | 119.9° |
| N | C3 | C19 | C20 | 125.5° | 40.1° |
| N | C3 | C19 | C24 | 53.1° | 140.6° |
| N | C3 | C1 | H5 | 58.9° | 60.0° |
| N | C4 | N1 | C18 | 178.7° | 179.9° |
| N | C4 | N1 | C5 | 175.0° | 180.0° |
| N | C4 | C18 | C17 | 1.7° | 0.2° |
| N | C4 | C18 | C6 | 173.9° | 180.0° |
| C4 | N | C3 | C19 | 92.3° | 154.9° |
| C4 | N | C3 | H | 25.6° | 35.0° |
| C4 | N1 | C5 | N2 | 0.7° | 0.1° |
| N1 | C4 | C18 | C17 | 179.6° | 180.0° |
| N1 | C4 | C18 | C6 | 4.8° | 0.1° |
| C4 | N1 | C5 | H10 | 179.3° | 180.0° |
| N1 | C4 | N | H9 | 135.7° | 180.0° |
| N1 | C5 | N2 | H10 | 180.0° | 179.9° |
| N1 | C5 | N2 | C6 | 1.1° | 0.1° |
| C5 | N1 | C4 | C18 | 3.8° | 0.1° |
| C5 | N2 | C6 | N3 | 178.8° | 179.9° |
| C5 | N2 | C6 | C18 | 0.2° | 0.1° |
| N2 | C6 | N3 | C18 | 178.9° | 179.9° |
| N2 | C6 | N3 | C7 | 179.7° | 180.0° |
| N2 | C6 | C18 | C17 | 179.9° | 180.0° |
| N2 | C6 | C18 | C4 | 3.1° | 0.1° |
| N2 | C6 | N3 | H1 | 0.3° | 0.0° |
| C6 | N2 | C5 | H10 | 178.9° | 180.0° |
| C6 | N3 | C7 | H1 | 180.0° | 180.0° |
| C6 | N3 | C7 | C8 | 178.2° | 180.0° |
| C6 | N3 | C7 | C17 | 1.0° | 0.1° |
| N3 | C6 | C18 | C17 | 1.3° | 0.0° |
| N3 | C6 | C18 | C4 | 178.1° | 179.9° |
| N3 | C7 | C8 | C17 | 179.1° | 180.0° |
| N3 | C7 | C8 | C9 | 168.6° | 180.0° |
| N3 | C7 | C8 | C16 | 13.3° | 0.3° |
| N3 | C7 | C17 | C18 | 0.2° | 0.0° |
| C7 | N3 | C6 | C18 | 1.4° | 0.1° |
| N3 | C7 | C17 | H24 | 179.8° | 180.0° |
| C7 | C8 | C9 | C16 | 178.2° | 179.7° |
| C7 | C8 | C9 | C10 | 176.7° | 179.7° |
| C7 | C8 | C16 | C11 | 176.1° | 180.0° |
| C8 | C7 | C17 | C18 | 179.0° | 180.0° |
| C8 | C7 | N3 | H1 | 1.8° | 0.0° |
| C8 | C7 | C17 | H24 | 1.0° | 0.0° |
| C7 | C8 | C16 | H23 | 3.9° | 0.0° |
| C7 | C8 | C9 | H11 | 3.3° | 0.0° |
| C8 | C9 | C10 | H11 | 180.0° | 179.7° |
| C8 | C9 | C10 | N4 | 1.2° | 0.6° |
| C9 | C8 | C16 | C11 | 2.1° | 0.3° |
| C9 | C8 | C7 | C17 | 12.3° | 0.0° |
| C8 | C9 | C10 | H12 | 178.8° | 179.8° |
| C9 | C8 | C16 | H23 | 177.9° | 179.8° |
| C9 | C10 | N4 | H12 | 180.0° | 179.6° |
| C9 | C10 | N4 | C11 | 1.4° | 0.4° |
| C10 | C9 | C8 | C16 | 1.5° | 0.5° |
| C10 | N4 | C11 | O | 174.1° | 179.9° |
| C10 | N4 | C11 | C16 | 2.1° | 0.1° |
| N4 | C10 | C9 | H11 | 178.8° | 179.7° |
| N4 | C11 | O | C16 | 176.5° | 180.0° |
| N4 | C11 | O | C12 | 20.6° | 0.0° |
| N4 | C11 | C16 | C8 | 2.5° | 0.0° |
| C11 | N4 | C10 | H12 | 178.6° | 180.0° |
| N4 | C11 | C16 | H23 | 177.5° | 180.0° |
| C11 | O | C12 | C13 | 142.0° | 180.0° |
| O | C11 | C16 | C8 | 173.8° | 180.0° |
| O | C11 | C16 | H23 | 6.2° | 0.0° |
| C11 | O | C12 | H14 | 97.7° | 60.0° |
| C11 | O | C12 | H13 | 21.7° | 60.0° |
| O | C12 | C13 | H14 | 120.3° | 120.0° |
| O | C12 | C13 | H13 | 120.3° | 120.0° |
| O | C12 | C13 | N5 | 67.2° | 65.0° |
| C12 | O | C11 | C16 | 155.9° | 180.0° |
| O | C12 | C13 | H16 | 171.7° | 175.0° |
| O | C12 | C13 | H15 | 53.8° | 55.0° |
| O | C12 | H14 | H13 | 119.0° | 120.0° |
| C12 | C13 | N5 | H16 | 121.0° | 120.0° |
| C12 | C13 | N5 | H15 | 121.0° | 119.9° |
| C12 | C13 | N5 | C14 | 171.9° | 170.0° |
| C12 | C13 | N5 | C15 | 66.8° | 66.1° |
| C12 | C13 | H16 | H15 | 116.7° | 119.9° |
| C13 | C12 | H14 | H13 | 119.0° | 120.0° |
| C13 | N5 | C14 | C15 | 122.4° | 123.9° |
| N5 | C13 | H16 | H15 | 116.8° | 120.0° |
| C13 | N5 | C15 | H20 | 180.0° | 60.0° |
| C13 | N5 | C15 | H21 | 60.0° | 180.0° |
| C13 | N5 | C15 | H22 | 60.0° | 60.0° |
| N5 | C13 | C12 | H14 | 53.1° | 175.0° |
| N5 | C13 | C12 | H13 | 172.5° | 55.0° |
| C13 | N5 | C14 | H19 | 180.0° | 60.0° |
| C13 | N5 | C14 | H17 | 60.0° | 60.0° |
| C13 | N5 | C14 | H18 | 60.0° | 180.0° |
| C14 | N5 | C13 | H16 | 67.1° | 70.0° |
| C14 | N5 | C13 | H15 | 50.9° | 50.1° |
| C14 | N5 | C15 | H20 | 58.5° | 63.9° |
| C14 | N5 | C15 | H21 | 178.5° | 56.1° |
| C14 | N5 | C15 | H22 | 61.4° | 176.0° |
| N5 | C14 | H19 | H17 | 120.0° | 120.0° |
| N5 | C14 | H19 | H18 | 120.0° | 120.0° |
| N5 | C14 | H17 | H18 | 120.0° | 120.0° |
| C15 | N5 | C13 | H16 | 54.3° | 54.0° |
| C15 | N5 | C13 | H15 | 172.2° | 174.0° |
| N5 | C15 | H20 | H21 | 120.0° | 120.0° |
| N5 | C15 | H20 | H22 | 120.0° | 120.0° |
| N5 | C15 | H21 | H22 | 120.0° | 120.0° |
| C15 | N5 | C14 | H19 | 57.7° | 64.0° |
| C15 | N5 | C14 | H17 | 62.4° | 176.0° |
| C15 | N5 | C14 | H18 | 177.7° | 56.0° |
| C11 | C16 | C8 | H23 | 180.0° | 180.0° |
| C16 | C8 | C7 | C17 | 165.8° | 179.8° |
| C16 | C8 | C9 | H11 | 178.5° | 179.8° |
| C7 | C17 | C18 | H24 | 180.0° | 179.9° |
| C7 | C17 | C18 | C4 | 176.5° | 179.9° |
| C7 | C17 | C18 | C6 | 0.6° | 0.0° |
| C17 | C7 | N3 | H1 | 179.0° | 180.0° |
| C17 | C18 | C4 | C6 | 175.6° | 179.9° |
| C4 | C18 | C17 | H24 | 3.5° | 0.1° |
| C18 | C4 | N | H9 | 45.6° | 0.1° |
| C18 | C6 | N3 | H1 | 178.6° | 180.0° |
| C6 | C18 | C17 | H24 | 179.4° | 179.9° |
| C3 | C19 | C20 | C24 | 178.6° | 179.4° |
| C3 | C19 | C20 | C21 | 178.3° | 179.6° |
| C3 | C19 | C24 | C23 | 176.9° | 180.0° |
| C3 | C19 | C20 | H25 | 1.7° | 0.8° |
| C3 | C19 | C24 | H27 | 3.0° | 0.3° |
| C19 | C3 | C1 | H5 | 65.3° | 60.0° |
| C19 | C3 | N | H9 | 29.6° | 25.0° |
| C19 | C20 | C21 | H25 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C24 | C23 | 1.7° | 0.6° |
| C19 | C20 | C21 | H26 | 179.8° | 179.7° |
| C20 | C19 | C24 | H27 | 178.3° | 179.7° |
| C20 | C19 | C3 | H | 7.2° | 160.0° |
| C20 | C21 | C22 | H26 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.2° | 0.9° |
| C21 | C20 | C19 | C24 | 0.4° | 0.2° |
| C20 | C21 | C22 | C27 | 176.9° | 178.1° |
| C21 | C22 | C23 | C27 | 178.0° | 178.9° |
| C21 | C22 | C23 | C24 | 2.6° | 1.4° |
| C21 | C22 | C23 | S | 175.7° | 177.9° |
| C21 | C22 | C27 | C26 | 154.5° | 155.6° |
| C22 | C21 | C20 | H25 | 179.8° | 180.0° |
| C21 | C22 | C27 | H32 | 84.9° | 83.3° |
| C21 | C22 | C27 | H33 | 33.9° | 34.5° |
| C22 | C23 | C24 | S | 178.4° | 179.3° |
| C22 | C23 | C24 | C19 | 2.9° | 1.2° |
| C22 | C23 | S | O1 | 129.8° | 102.9° |
| C22 | C23 | S | O2 | 103.0° | 128.9° |
| C22 | C23 | S | C25 | 13.7° | 13.0° |
| C23 | C22 | C27 | C26 | 27.6° | 25.4° |
| C23 | C22 | C21 | H26 | 178.8° | 179.1° |
| C22 | C23 | C24 | H27 | 177.1° | 179.1° |
| C23 | C22 | C27 | H32 | 93.0° | 95.7° |
| C23 | C22 | C27 | H33 | 148.2° | 146.5° |
| C23 | C24 | C19 | H27 | 180.0° | 179.7° |
| C24 | C23 | S | O1 | 51.8° | 76.3° |
| C24 | C23 | S | O2 | 75.4° | 51.8° |
| C24 | C23 | S | C25 | 167.9° | 167.8° |
| C24 | C23 | C22 | C27 | 175.4° | 177.6° |
| C19 | C24 | C23 | S | 175.4° | 178.1° |
| C24 | C19 | C20 | H25 | 179.6° | 179.8° |
| C24 | C19 | C3 | H | 171.4° | 20.6° |
| C23 | S | O1 | O2 | 122.0° | 117.2° |
| C23 | S | O1 | C25 | 112.8° | 111.0° |
| C23 | S | O2 | C25 | 113.0° | 111.0° |
| C23 | S | C25 | C26 | 43.6° | 44.9° |
| S | C23 | C22 | C27 | 6.3° | 3.2° |
| S | C23 | C24 | H27 | 4.5° | 1.6° |
| C23 | S | C25 | H28 | 76.6° | 74.5° |
| C23 | S | C25 | H29 | 163.8° | 164.3° |
| O1 | S | O2 | C25 | 124.9° | 131.8° |
| O1 | S | C25 | C26 | 159.0° | 66.7° |
| O1 | S | C25 | H28 | 38.8° | 173.9° |
| O1 | S | C25 | H29 | 80.9° | 52.7° |
| O2 | S | C25 | C26 | 71.9° | 156.3° |
| O2 | S | C25 | H28 | 168.0° | 36.9° |
| O2 | S | C25 | H29 | 48.3° | 84.3° |
| S | C25 | C26 | H28 | 120.2° | 119.4° |
| S | C25 | C26 | H29 | 120.2° | 119.4° |
| S | C25 | C26 | C27 | 69.0° | 71.3° |
| S | C25 | C26 | H31 | 170.9° | 48.6° |
| S | C25 | C26 | H30 | 51.0° | 168.8° |
| S | C25 | H28 | H29 | 119.4° | 121.2° |
| C25 | C26 | C27 | H31 | 120.0° | 119.9° |
| C25 | C26 | C27 | H30 | 120.0° | 119.9° |
| C25 | C26 | C27 | C22 | 59.4° | 61.8° |
| C25 | C26 | H31 | H30 | 119.9° | 120.1° |
| C26 | C25 | H28 | H29 | 119.5° | 121.2° |
| C25 | C26 | C27 | H32 | 61.2° | 59.4° |
| C25 | C26 | C27 | H33 | 179.9° | 177.1° |
| C26 | C27 | C22 | H32 | 120.6° | 121.1° |
| C26 | C27 | C22 | H33 | 120.6° | 121.1° |
| C27 | C26 | H31 | H30 | 119.9° | 120.2° |
| C27 | C26 | C25 | H28 | 51.1° | 48.1° |
| C27 | C26 | C25 | H29 | 170.8° | 169.4° |
| C26 | C27 | H32 | H33 | 118.2° | 117.8° |
| C27 | C22 | C21 | H26 | 3.1° | 1.9° |
| C22 | C27 | C26 | H31 | 179.4° | 58.1° |
| C22 | C27 | C26 | H30 | 60.7° | 178.3° |
| C22 | C27 | H32 | H33 | 118.2° | 117.9° |
| H12 | C10 | C9 | H11 | 1.2° | 0.1° |
| H16 | C13 | C12 | H14 | 67.9° | 55.0° |
| H16 | C13 | C12 | H13 | 51.4° | 65.0° |
| H15 | C13 | C12 | H14 | 174.1° | 65.0° |
| H15 | C13 | C12 | H13 | 66.5° | 175.0° |
| H20 | C15 | H21 | H22 | 120.0° | 120.0° |
| H25 | C20 | C21 | H26 | 0.2° | 0.0° |
| H31 | C26 | C25 | H28 | 68.9° | 168.0° |
| H31 | C26 | C25 | H29 | 50.8° | 70.7° |
| H31 | C26 | C27 | H32 | 58.8° | 179.3° |
| H31 | C26 | C27 | H33 | 60.0° | 63.0° |
| H30 | C26 | C25 | H28 | 171.1° | 71.9° |
| H30 | C26 | C25 | H29 | 69.2° | 49.4° |
| H30 | C26 | C27 | H32 | 178.8° | 60.5° |
| H30 | C26 | C27 | H33 | 59.9° | 57.2° |
| H | C3 | C1 | H5 | 176.4° | 180.0° |
| H | C3 | N | H9 | 147.6° | 145.0° |
| H5 | C1 | C2 | H8 | 62.2° | 180.0° |
| H5 | C1 | C2 | H7 | 57.8° | 60.0° |
| H5 | C1 | C2 | H6 | 177.8° | 60.0° |
| H5 | C1 | C | H3 | 62.2° | 60.0° |
| H5 | C1 | C | H2 | 177.8° | 60.0° |
| H5 | C1 | C | H4 | 57.7° | 180.0° |
| H8 | C2 | H7 | H6 | 120.0° | 120.0° |
| H3 | C | H2 | H4 | 119.9° | 120.0° |
| H19 | C14 | H17 | H18 | 120.0° | 119.9° |
