A1H9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N3 | sing | 1.46Å | 1.47Å | |
| O6 | C24 | doub | 1.22Å | 1.24Å | |
| N3 | C24 | sing | 1.37Å | 1.42Å | |
| N3 | C25 | sing | 1.36Å | 1.43Å | |
| O7 | C25 | doub | 1.22Å | 1.23Å | |
| C24 | N4 | sing | 1.34Å | 1.33Å | |
| C25 | N5 | sing | 1.34Å | 1.33Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| N4 | C18 | sing | 1.41Å | 1.49Å | |
| N4 | FE1 | sing | 1.86Å | 1.86Å | |
| C21 | C17 | sing | 1.53Å | 1.53Å | |
| N5 | C17 | sing | 1.45Å | 1.48Å | |
| N5 | FE1 | sing | 1.86Å | 1.86Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C15 | sing | 1.53Å | 1.57Å | |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.56Å | 1.57Å | |
| FE1 | N7 | sing | 1.84Å | 1.87Å | |
| FE1 | N6 | sing | 1.87Å | 1.86Å | |
| C15 | N7 | sing | 1.34Å | 1.37Å | |
| C15 | O4 | doub | 1.21Å | 1.22Å | |
| N7 | C13 | sing | 1.41Å | 1.41Å | |
| C16 | N6 | sing | 1.36Å | 1.36Å | |
| C16 | O5 | doub | 1.21Å | 1.23Å | |
| N6 | C14 | sing | 1.40Å | 1.42Å | |
| C13 | C14 | doub | 1.42Å | 1.41Å | Aromatic |
| C13 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.50Å | |
| O3 | C8 | doub | 1.22Å | 1.16Å | |
| C8 | N2 | sing | 1.35Å | 1.44Å | |
| N2 | C26 | sing | 1.47Å | 1.48Å | |
| C26 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | S1 | sing | 1.76Å | 1.81Å | |
| N1 | S1 | sing | 1.66Å | 1.66Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| N1 | H27 | sing | 0.97Å | 1.00Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N3 | C24 | 112.0° | 113.6° |
| C23 | N3 | C25 | 118.7° | 113.7° |
| N3 | C23 | H22 | 109.5° | 109.5° |
| N3 | C23 | H23 | 109.5° | 109.5° |
| N3 | C23 | H24 | 109.5° | 109.5° |
| O6 | C24 | N3 | 116.7° | 122.7° |
| O6 | C24 | N4 | 124.5° | 122.7° |
| C24 | N3 | C25 | 128.4° | 132.7° |
| N3 | C24 | N4 | 118.6° | 114.6° |
| N3 | C25 | O7 | 116.2° | 121.9° |
| N3 | C25 | N5 | 123.3° | 115.7° |
| O7 | C25 | N5 | 119.1° | 122.3° |
| C24 | N4 | C18 | 117.6° | 142.2° |
| C24 | N4 | FE1 | 127.1° | 115.3° |
| C25 | N5 | C17 | 123.9° | 143.5° |
| C25 | N5 | FE1 | 122.3° | 115.5° |
| C19 | C18 | N4 | 116.7° | 107.5° |
| C19 | C18 | C20 | 109.0° | 108.7° |
| C19 | C18 | C15 | 105.9° | 108.8° |
| C18 | C19 | H10 | 109.5° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.4° | 109.5° |
| C18 | N4 | FE1 | 115.4° | 98.6° |
| N4 | C18 | C20 | 115.9° | 108.8° |
| N4 | C18 | C15 | 105.6° | 114.2° |
| N4 | FE1 | N5 | 99.0° | 100.9° |
| N4 | FE1 | N7 | 86.3° | 99.7° |
| N4 | FE1 | N6 | 162.3° | 130.6° |
| C21 | C17 | N5 | 112.6° | 109.8° |
| C21 | C17 | C22 | 118.8° | 109.9° |
| C21 | C17 | C16 | 109.4° | 109.9° |
| C17 | C21 | H16 | 109.5° | 109.5° |
| C17 | C21 | H17 | 109.5° | 109.5° |
| C17 | C21 | H18 | 109.4° | 109.5° |
| C17 | N5 | FE1 | 113.7° | 97.8° |
| N5 | C17 | C22 | 106.1° | 110.4° |
| N5 | C17 | C16 | 107.4° | 107.0° |
| N5 | FE1 | N7 | 157.4° | 133.5° |
| N5 | FE1 | N6 | 87.8° | 98.3° |
| C20 | C18 | C15 | 102.0° | 108.8° |
| C18 | C20 | H13 | 109.5° | 109.4° |
| C18 | C20 | H14 | 109.5° | 109.5° |
| C18 | C20 | H15 | 109.4° | 109.5° |
| C18 | C15 | N7 | 114.5° | 114.6° |
| C18 | C15 | O4 | 121.3° | 122.7° |
| C22 | C17 | C16 | 101.5° | 109.9° |
| C17 | C22 | H19 | 109.5° | 109.4° |
| C17 | C22 | H20 | 109.5° | 109.5° |
| C17 | C22 | H21 | 109.5° | 109.5° |
| C17 | C16 | N6 | 113.7° | 109.2° |
| C17 | C16 | O5 | 119.4° | 125.4° |
| N7 | FE1 | N6 | 81.5° | 99.1° |
| FE1 | N7 | C15 | 113.6° | 98.0° |
| FE1 | N7 | C13 | 117.3° | 98.8° |
| FE1 | N6 | C16 | 115.5° | 96.8° |
| FE1 | N6 | C14 | 118.0° | 98.2° |
| N7 | C15 | O4 | 124.2° | 122.7° |
| C15 | N7 | C13 | 126.8° | 158.1° |
| N7 | C13 | C14 | 112.1° | 116.4° |
| N7 | C13 | C11 | 129.1° | 122.3° |
| N6 | C16 | O5 | 126.3° | 125.4° |
| C16 | N6 | C14 | 126.0° | 160.1° |
| N6 | C14 | C13 | 110.2° | 117.1° |
| N6 | C14 | C12 | 129.9° | 122.0° |
| C14 | C13 | C11 | 118.8° | 120.0° |
| C13 | C14 | C12 | 119.9° | 119.7° |
| C13 | C11 | C9 | 120.0° | 117.9° |
| C13 | C11 | H8 | 120.0° | 121.1° |
| C14 | C12 | C10 | 121.9° | 118.3° |
| C14 | C12 | H9 | 119.0° | 120.8° |
| C11 | C9 | C10 | 122.4° | 121.0° |
| C11 | C9 | C8 | 119.2° | 119.4° |
| C9 | C11 | H8 | 120.0° | 121.0° |
| C12 | C10 | C9 | 117.0° | 121.5° |
| C12 | C10 | H7 | 121.5° | 119.3° |
| C10 | C12 | H9 | 119.0° | 120.9° |
| C10 | C9 | C8 | 118.4° | 119.5° |
| C9 | C10 | H7 | 121.5° | 119.3° |
| C9 | C8 | O3 | 114.6° | 120.0° |
| C9 | C8 | N2 | 121.1° | 119.9° |
| O3 | C8 | N2 | 124.2° | 120.0° |
| C8 | N2 | C26 | 116.8° | 120.0° |
| C8 | N2 | H29 | 121.6° | 120.0° |
| N2 | C26 | C7 | 116.4° | 109.4° |
| N2 | C26 | H25 | 107.7° | 109.4° |
| N2 | C26 | H26 | 107.7° | 109.5° |
| C26 | N2 | H29 | 121.6° | 120.0° |
| C26 | C7 | C6 | 101.5° | 109.5° |
| C26 | C7 | H5 | 111.4° | 109.5° |
| C26 | C7 | H6 | 111.4° | 109.5° |
| C7 | C26 | H25 | 107.7° | 109.5° |
| C7 | C26 | H26 | 107.7° | 109.5° |
| C7 | C6 | C5 | 119.5° | 120.0° |
| C7 | C6 | C3 | 118.5° | 120.0° |
| C6 | C7 | H5 | 111.4° | 109.5° |
| C6 | C7 | H6 | 111.4° | 109.4° |
| C6 | C5 | C4 | 118.1° | 120.0° |
| C5 | C6 | C3 | 122.0° | 120.0° |
| C6 | C5 | H4 | 120.9° | 120.0° |
| C5 | C4 | C1 | 118.9° | 120.0° |
| C5 | C4 | H3 | 120.5° | 120.0° |
| C4 | C5 | H4 | 120.9° | 120.0° |
| C6 | C3 | C2 | 119.5° | 120.0° |
| C6 | C3 | H2 | 120.2° | 120.0° |
| C4 | C1 | C2 | 122.5° | 120.0° |
| C4 | C1 | S1 | 119.4° | 120.0° |
| C1 | C4 | H3 | 120.6° | 120.0° |
| C3 | C2 | C1 | 118.9° | 120.0° |
| C3 | C2 | H1 | 120.5° | 120.0° |
| C2 | C3 | H2 | 120.2° | 120.0° |
| C2 | C1 | S1 | 118.1° | 120.0° |
| C1 | C2 | H1 | 120.5° | 120.0° |
| C1 | S1 | N1 | 107.6° | 107.2° |
| C1 | S1 | O2 | 106.8° | 106.4° |
| C1 | S1 | O1 | 106.5° | 106.4° |
| N1 | S1 | O2 | 106.7° | 106.4° |
| N1 | S1 | O1 | 112.2° | 106.4° |
| S1 | N1 | H27 | 109.5° | 120.0° |
| S1 | N1 | H28 | 109.5° | 120.0° |
| O2 | S1 | O1 | 116.5° | 123.2° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H16 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H22 | C23 | H24 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H27 | N1 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N3 | C24 | O6 | 4.7° | 24.8° |
| C23 | N3 | C24 | C25 | 169.1° | 179.2° |
| C23 | N3 | C25 | O7 | 12.1° | 26.9° |
| C23 | N3 | C24 | N4 | 179.9° | 155.1° |
| C23 | N3 | C25 | N5 | 178.8° | 153.6° |
| N3 | C23 | H22 | H23 | 120.0° | 120.0° |
| N3 | C23 | H22 | H24 | 120.0° | 120.0° |
| N3 | C23 | H23 | H24 | 120.0° | 120.1° |
| O6 | C24 | N3 | N4 | 175.5° | 180.0° |
| O6 | C24 | N3 | C25 | 173.7° | 155.9° |
| O6 | C24 | N4 | C18 | 4.7° | 73.8° |
| O6 | C24 | N4 | FE1 | 174.7° | 134.6° |
| C24 | N3 | C25 | O7 | 179.5° | 152.3° |
| C24 | N3 | C25 | N5 | 12.8° | 27.1° |
| N3 | C24 | N4 | C18 | 179.8° | 106.2° |
| N3 | C24 | N4 | FE1 | 0.4° | 45.5° |
| C24 | N3 | C23 | H22 | 180.0° | 90.0° |
| C24 | N3 | C23 | H23 | 60.0° | 150.0° |
| C24 | N3 | C23 | H24 | 60.0° | 30.0° |
| N3 | C25 | O7 | N5 | 167.3° | 179.4° |
| C25 | N3 | C24 | N4 | 10.8° | 24.1° |
| N3 | C25 | N5 | C17 | 177.5° | 110.3° |
| N3 | C25 | N5 | FE1 | 2.8° | 43.2° |
| C25 | N3 | C23 | H22 | 9.7° | 89.4° |
| C25 | N3 | C23 | H23 | 129.7° | 30.6° |
| C25 | N3 | C23 | H24 | 110.3° | 150.6° |
| O7 | C25 | N5 | C17 | 11.2° | 70.2° |
| O7 | C25 | N5 | FE1 | 169.1° | 136.3° |
| C24 | N4 | C18 | C19 | 70.3° | 105.3° |
| C24 | N4 | C18 | FE1 | 179.4° | 154.2° |
| C24 | N4 | FE1 | N5 | 6.9° | 25.2° |
| C24 | N4 | C18 | C20 | 60.3° | 12.2° |
| C24 | N4 | C18 | C15 | 172.4° | 133.9° |
| C24 | N4 | FE1 | N7 | 164.8° | 163.3° |
| C24 | N4 | FE1 | N6 | 118.5° | 85.8° |
| C25 | N5 | FE1 | N4 | 5.1° | 19.2° |
| C25 | N5 | C17 | C21 | 74.3° | 0.7° |
| C25 | N5 | C17 | FE1 | 179.7° | 156.0° |
| C25 | N5 | C17 | C22 | 57.2° | 122.0° |
| C25 | N5 | C17 | C16 | 165.1° | 118.5° |
| C25 | N5 | FE1 | N7 | 107.4° | 95.6° |
| C25 | N5 | FE1 | N6 | 168.7° | 153.5° |
| C19 | C18 | N4 | C20 | 130.6° | 117.5° |
| C19 | C18 | N4 | C15 | 117.3° | 120.8° |
| C19 | C18 | N4 | FE1 | 109.2° | 100.4° |
| C19 | C18 | C20 | C15 | 111.7° | 118.3° |
| C19 | C18 | C15 | N7 | 132.3° | 75.7° |
| C19 | C18 | C15 | O4 | 51.6° | 104.3° |
| C18 | C19 | H10 | H11 | 120.0° | 120.0° |
| C18 | C19 | H10 | H12 | 120.0° | 120.1° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C18 | C20 | H13 | 180.0° | 176.8° |
| C19 | C18 | C20 | H14 | 60.0° | 63.2° |
| C19 | C18 | C20 | H15 | 60.0° | 56.9° |
| C18 | N4 | FE1 | N5 | 173.7° | 137.7° |
| N4 | C18 | C20 | C15 | 114.2° | 125.0° |
| C18 | N4 | FE1 | N7 | 15.8° | 0.4° |
| C18 | N4 | FE1 | N6 | 62.1° | 111.3° |
| N4 | C18 | C15 | N7 | 7.9° | 44.3° |
| N4 | C18 | C15 | O4 | 176.0° | 135.6° |
| N4 | C18 | C19 | H10 | 180.0° | 56.8° |
| N4 | C18 | C19 | H11 | 60.0° | 63.2° |
| N4 | C18 | C19 | H12 | 60.0° | 176.9° |
| N4 | C18 | C20 | H13 | 45.9° | 66.5° |
| N4 | C18 | C20 | H14 | 74.2° | 53.5° |
| N4 | C18 | C20 | H15 | 165.8° | 173.6° |
| N4 | FE1 | N5 | C17 | 174.6° | 145.2° |
| N4 | FE1 | N5 | N7 | 102.2° | 114.8° |
| N4 | FE1 | N5 | N6 | 163.6° | 134.3° |
| FE1 | N4 | C18 | C20 | 120.2° | 142.1° |
| FE1 | N4 | C18 | C15 | 8.1° | 20.3° |
| N4 | FE1 | N7 | N6 | 167.2° | 134.1° |
| N4 | FE1 | N7 | C15 | 20.5° | 22.1° |
| N4 | FE1 | N7 | C13 | 175.7° | 143.7° |
| N4 | FE1 | N6 | C16 | 116.9° | 90.2° |
| N4 | FE1 | N6 | C14 | 55.4° | 102.9° |
| C21 | C17 | N5 | C22 | 131.5° | 121.3° |
| C21 | C17 | N5 | C16 | 120.6° | 119.2° |
| C21 | C17 | N5 | FE1 | 106.0° | 156.7° |
| C21 | C17 | C22 | C16 | 119.9° | 121.0° |
| C21 | C17 | C16 | N6 | 110.7° | 176.4° |
| C21 | C17 | C16 | O5 | 61.5° | 3.5° |
| C17 | C21 | H16 | H17 | 120.0° | 120.0° |
| C17 | C21 | H16 | H18 | 120.0° | 120.0° |
| C17 | C21 | H17 | H18 | 120.0° | 120.0° |
| C21 | C17 | C22 | H19 | 180.0° | 59.5° |
| C21 | C17 | C22 | H20 | 60.0° | 60.4° |
| C21 | C17 | C22 | H21 | 60.0° | 179.5° |
| N5 | C17 | C22 | C16 | 112.2° | 117.7° |
| C17 | N5 | FE1 | N7 | 72.3° | 99.9° |
| C17 | N5 | FE1 | N6 | 11.0° | 11.0° |
| N5 | C17 | C16 | N6 | 11.9° | 64.4° |
| N5 | C17 | C16 | O5 | 175.9° | 115.6° |
| N5 | C17 | C21 | H16 | 180.0° | 179.0° |
| N5 | C17 | C21 | H17 | 60.0° | 59.1° |
| N5 | C17 | C21 | H18 | 60.0° | 60.9° |
| N5 | C17 | C22 | H19 | 52.1° | 179.2° |
| N5 | C17 | C22 | H20 | 172.1° | 60.8° |
| N5 | C17 | C22 | H21 | 67.9° | 59.2° |
| FE1 | N5 | C17 | C22 | 122.5° | 82.0° |
| FE1 | N5 | C17 | C16 | 14.6° | 37.5° |
| N5 | FE1 | N7 | N6 | 62.5° | 110.6° |
| N5 | FE1 | N7 | C15 | 125.2° | 93.1° |
| N5 | FE1 | N7 | C13 | 71.0° | 101.0° |
| N5 | FE1 | N6 | C16 | 3.7° | 21.9° |
| N5 | FE1 | N6 | C14 | 168.6° | 145.0° |
| C20 | C18 | C15 | N7 | 113.7° | 166.0° |
| C20 | C18 | C15 | O4 | 62.5° | 13.9° |
| C20 | C18 | C19 | H10 | 46.2° | 60.7° |
| C20 | C18 | C19 | H11 | 73.8° | 179.3° |
| C20 | C18 | C19 | H12 | 166.3° | 59.4° |
| C18 | C20 | H13 | H14 | 120.0° | 120.0° |
| C18 | C20 | H13 | H15 | 120.0° | 120.0° |
| C18 | C20 | H14 | H15 | 120.0° | 120.0° |
| C18 | C15 | N7 | FE1 | 20.5° | 37.5° |
| C18 | C15 | N7 | O4 | 176.0° | 179.9° |
| C18 | C15 | N7 | C13 | 177.5° | 102.1° |
| C15 | C18 | C19 | H10 | 62.9° | 179.0° |
| C15 | C18 | C19 | H11 | 177.1° | 61.0° |
| C15 | C18 | C19 | H12 | 57.1° | 58.9° |
| C15 | C18 | C20 | H13 | 68.3° | 58.5° |
| C15 | C18 | C20 | H14 | 171.7° | 178.5° |
| C15 | C18 | C20 | H15 | 51.7° | 61.4° |
| C22 | C17 | C16 | N6 | 123.0° | 55.4° |
| C22 | C17 | C16 | O5 | 64.8° | 124.5° |
| C22 | C17 | C21 | H16 | 55.2° | 59.3° |
| C22 | C17 | C21 | H17 | 175.2° | 179.3° |
| C22 | C17 | C21 | H18 | 64.8° | 60.7° |
| C17 | C22 | H19 | H20 | 120.0° | 119.9° |
| C17 | C22 | H19 | H21 | 120.0° | 120.0° |
| C17 | C22 | H20 | H21 | 120.0° | 120.1° |
| C17 | C16 | N6 | FE1 | 4.0° | 47.6° |
| C17 | C16 | N6 | O5 | 171.6° | 179.9° |
| C17 | C16 | N6 | C14 | 175.6° | 91.1° |
| C16 | C17 | C21 | H16 | 60.6° | 61.6° |
| C16 | C17 | C21 | H17 | 59.4° | 58.3° |
| C16 | C17 | C21 | H18 | 179.4° | 178.3° |
| C16 | C17 | C22 | H19 | 60.1° | 61.5° |
| C16 | C17 | C22 | H20 | 59.9° | 178.6° |
| C16 | C17 | C22 | H21 | 179.9° | 58.5° |
| FE1 | N7 | C15 | C13 | 162.0° | 139.7° |
| FE1 | N7 | C15 | O4 | 163.5° | 142.4° |
| N7 | FE1 | N6 | C16 | 163.8° | 158.6° |
| N7 | FE1 | N6 | C14 | 8.6° | 8.3° |
| FE1 | N7 | C13 | C14 | 6.9° | 26.8° |
| FE1 | N7 | C13 | C11 | 173.4° | 166.1° |
| N6 | FE1 | N7 | C15 | 172.3° | 156.3° |
| N6 | FE1 | N7 | C13 | 8.5° | 9.6° |
| FE1 | N6 | C16 | C14 | 171.6° | 138.8° |
| FE1 | N6 | C16 | O5 | 175.6° | 132.4° |
| FE1 | N6 | C14 | C13 | 6.9° | 26.0° |
| FE1 | N6 | C14 | C12 | 172.8° | 166.8° |
| C15 | N7 | C13 | C14 | 168.4° | 112.8° |
| C15 | N7 | C13 | C11 | 12.0° | 54.4° |
| O4 | C15 | N7 | C13 | 1.4° | 77.9° |
| N7 | C13 | C14 | N6 | 0.0° | 40.0° |
| N7 | C13 | C14 | C11 | 179.7° | 167.5° |
| N7 | C13 | C14 | C12 | 179.7° | 152.4° |
| N7 | C13 | C11 | C9 | 179.5° | 157.0° |
| N7 | C13 | C11 | H8 | 0.5° | 23.1° |
| C16 | N6 | C14 | C13 | 164.5° | 112.6° |
| C16 | N6 | C14 | C12 | 15.8° | 54.6° |
| O5 | C16 | N6 | C14 | 12.8° | 88.8° |
| N6 | C14 | C13 | C12 | 179.7° | 167.6° |
| N6 | C14 | C13 | C11 | 179.7° | 152.5° |
| N6 | C14 | C12 | C10 | 179.8° | 157.1° |
| N6 | C14 | C12 | H9 | 0.1° | 23.0° |
| C14 | C13 | C11 | C9 | 0.9° | 9.7° |
| C13 | C14 | C12 | C10 | 0.5° | 9.8° |
| C14 | C13 | C11 | H8 | 179.1° | 170.2° |
| C13 | C14 | C12 | H9 | 179.5° | 170.1° |
| C11 | C13 | C14 | C12 | 0.6° | 15.0° |
| C13 | C11 | C9 | H8 | 180.0° | 179.9° |
| C13 | C11 | C9 | C10 | 1.2° | 0.3° |
| C13 | C11 | C9 | C8 | 179.0° | 179.9° |
| C14 | C12 | C10 | H9 | 180.0° | 179.9° |
| C14 | C12 | C10 | C9 | 0.7° | 0.2° |
| C14 | C12 | C10 | H7 | 179.3° | 180.0° |
| C11 | C9 | C10 | C12 | 1.1° | 5.4° |
| C11 | C9 | C10 | C8 | 177.8° | 179.7° |
| C11 | C9 | C8 | O3 | 16.5° | 0.3° |
| C11 | C9 | C8 | N2 | 165.5° | 179.6° |
| C11 | C9 | C10 | H7 | 179.0° | 174.7° |
| C12 | C10 | C9 | H7 | 180.0° | 179.9° |
| C12 | C10 | C9 | C8 | 178.9° | 175.0° |
| C10 | C9 | C8 | O3 | 161.4° | 179.9° |
| C10 | C9 | C8 | N2 | 16.6° | 0.0° |
| C10 | C9 | C11 | H8 | 178.8° | 179.8° |
| C9 | C10 | C12 | H9 | 179.3° | 179.9° |
| C9 | C8 | O3 | N2 | 177.9° | 179.9° |
| C9 | C8 | N2 | C26 | 177.6° | 180.0° |
| C8 | C9 | C10 | H7 | 1.1° | 4.9° |
| C8 | C9 | C11 | H8 | 1.0° | 0.2° |
| C9 | C8 | N2 | H29 | 2.4° | 0.1° |
| O3 | C8 | N2 | C26 | 0.2° | 0.1° |
| O3 | C8 | N2 | H29 | 179.8° | 180.0° |
| C8 | N2 | C26 | H29 | 180.0° | 179.9° |
| C8 | N2 | C26 | C7 | 153.4° | 179.9° |
| C8 | N2 | C26 | H25 | 85.6° | 60.1° |
| C8 | N2 | C26 | H26 | 32.4° | 59.9° |
| N2 | C26 | C7 | H25 | 121.0° | 119.9° |
| N2 | C26 | C7 | H26 | 121.0° | 120.0° |
| N2 | C26 | C7 | C6 | 163.2° | 179.9° |
| N2 | C26 | C7 | H5 | 78.1° | 60.0° |
| N2 | C26 | C7 | H6 | 44.5° | 60.0° |
| N2 | C26 | H25 | H26 | 116.8° | 120.0° |
| C26 | C7 | C6 | H5 | 118.7° | 120.0° |
| C26 | C7 | C6 | H6 | 118.7° | 120.0° |
| C26 | C7 | C6 | C5 | 75.0° | 90.0° |
| C26 | C7 | C6 | C3 | 104.7° | 90.9° |
| C26 | C7 | H5 | H6 | 123.7° | 120.0° |
| C7 | C26 | H25 | H26 | 116.8° | 120.0° |
| C7 | C26 | N2 | H29 | 26.6° | 0.0° |
| C7 | C6 | C5 | C3 | 179.7° | 179.1° |
| C7 | C6 | C5 | C4 | 179.8° | 179.9° |
| C7 | C6 | C3 | C2 | 179.6° | 179.7° |
| C7 | C6 | C3 | H2 | 0.4° | 0.3° |
| C7 | C6 | C5 | H4 | 0.2° | 0.9° |
| C6 | C7 | H5 | H6 | 123.7° | 119.9° |
| C6 | C7 | C26 | H25 | 42.2° | 60.0° |
| C6 | C7 | C26 | H26 | 75.8° | 60.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.0° |
| C6 | C5 | C4 | C1 | 0.2° | 0.7° |
| C5 | C6 | C3 | C2 | 0.1° | 0.6° |
| C5 | C6 | C3 | H2 | 179.9° | 179.4° |
| C6 | C5 | C4 | H3 | 179.8° | 179.4° |
| C5 | C6 | C7 | H5 | 43.7° | 150.0° |
| C5 | C6 | C7 | H6 | 166.3° | 30.0° |
| C4 | C5 | C6 | C3 | 0.1° | 1.0° |
| C5 | C4 | C1 | H3 | 180.0° | 179.9° |
| C5 | C4 | C1 | C2 | 0.1° | 0.1° |
| C5 | C4 | C1 | S1 | 179.7° | 179.7° |
| C6 | C3 | C2 | H2 | 180.0° | 180.0° |
| C6 | C3 | C2 | C1 | 0.2° | 0.0° |
| C6 | C3 | C2 | H1 | 179.8° | 180.0° |
| C3 | C6 | C5 | H4 | 179.9° | 180.0° |
| C3 | C6 | C7 | H5 | 136.6° | 29.1° |
| C3 | C6 | C7 | H6 | 14.0° | 149.1° |
| C4 | C1 | C2 | C3 | 0.1° | 0.2° |
| C4 | C1 | C2 | S1 | 179.6° | 179.8° |
| C4 | C1 | S1 | N1 | 40.7° | 90.2° |
| C4 | C1 | S1 | O2 | 73.6° | 156.2° |
| C4 | C1 | S1 | O1 | 161.2° | 23.3° |
| C4 | C1 | C2 | H1 | 179.9° | 179.8° |
| C1 | C4 | C5 | H4 | 179.8° | 179.7° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | S1 | 179.5° | 180.0° |
| C2 | C1 | S1 | N1 | 139.7° | 90.0° |
| C2 | C1 | S1 | O2 | 106.1° | 23.6° |
| C2 | C1 | S1 | O1 | 19.1° | 156.5° |
| C1 | C2 | C3 | H2 | 179.8° | 180.0° |
| C2 | C1 | C4 | H3 | 179.9° | 180.0° |
| C1 | S1 | N1 | O2 | 114.3° | 113.5° |
| C1 | S1 | N1 | O1 | 116.9° | 113.5° |
| C1 | S1 | O2 | O1 | 118.9° | 122.9° |
| S1 | C1 | C2 | H1 | 0.5° | 0.0° |
| S1 | C1 | C4 | H3 | 0.3° | 0.2° |
| C1 | S1 | N1 | H27 | 180.0° | 0.0° |
| C1 | S1 | N1 | H28 | 60.0° | 180.0° |
| N1 | S1 | O2 | O1 | 126.3° | 123.0° |
| S1 | N1 | H27 | H28 | 120.0° | 179.9° |
| O2 | S1 | N1 | H27 | 65.7° | 113.6° |
| O2 | S1 | N1 | H28 | 174.3° | 66.5° |
| O1 | S1 | N1 | H27 | 63.1° | 113.5° |
| O1 | S1 | N1 | H28 | 56.9° | 66.5° |
| H1 | C2 | C3 | H2 | 0.2° | 0.0° |
| H3 | C4 | C5 | H4 | 0.3° | 0.4° |
| H5 | C7 | C26 | H25 | 160.9° | 180.0° |
| H5 | C7 | C26 | H26 | 42.9° | 60.0° |
| H6 | C7 | C26 | H25 | 76.6° | 59.9° |
| H6 | C7 | C26 | H26 | 165.5° | 180.0° |
| H7 | C10 | C12 | H9 | 0.7° | 0.0° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 119.9° |
| H25 | C26 | N2 | H29 | 94.4° | 120.0° |
| H26 | C26 | N2 | H29 | 147.6° | 120.0° |
