S18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.45Å | 1.45Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.47Å | Aromatic |
| C25 | C26 | sing | 1.45Å | 1.45Å | Aromatic |
| C23 | N6 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C22 | doub | 1.48Å | 1.48Å | Aromatic |
| N6 | C22 | sing | 1.32Å | 1.32Å | Aromatic |
| N6 | CU1 | sing | 1.99Å | 1.99Å | |
| N9 | N8 | doub | 1.13Å | 1.13Å | |
| N8 | N7 | doub | 1.15Å | 1.15Å | |
| N7 | CU1 | sing | 1.96Å | 1.96Å | |
| C22 | C21 | sing | 1.52Å | 1.52Å | |
| CU1 | N5 | sing | 2.11Å | 2.11Å | |
| CU1 | N4 | sing | 2.10Å | 2.10Å | |
| C16 | C17 | doub | 1.47Å | 1.47Å | Aromatic |
| C16 | N5 | sing | 1.35Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.45Å | 1.45Å | Aromatic |
| N5 | C15 | doub | 1.37Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.55Å | 1.55Å | |
| C18 | C19 | doub | 1.44Å | 1.44Å | Aromatic |
| C15 | C19 | sing | 1.50Å | 1.50Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| N4 | C20 | sing | 1.50Å | 1.50Å | |
| N4 | C12 | sing | 1.58Å | 1.58Å | |
| N4 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| C14 | C13 | sing | 1.55Å | 1.55Å | |
| O2 | C10 | doub | 1.24Å | 1.24Å | |
| C10 | N3 | sing | 1.34Å | 1.34Å | |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C11 | N3 | sing | 1.50Å | 1.50Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | C7 | sing | 1.57Å | 1.57Å | |
| C7 | C6 | sing | 1.52Å | 1.52Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C5 | C4 | sing | 1.57Å | 1.57Å | |
| C5 | S1 | sing | 1.82Å | 1.82Å | |
| N2 | C4 | sing | 1.48Å | 1.48Å | |
| N2 | C1 | sing | 1.29Å | 1.29Å | |
| C4 | C2 | sing | 1.61Å | 1.61Å | |
| S1 | C3 | sing | 1.78Å | 1.78Å | |
| C1 | O1 | doub | 1.32Å | 1.32Å | |
| C1 | N1 | sing | 1.30Å | 1.30Å | |
| C2 | C3 | sing | 1.59Å | 1.59Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N2 | H1 | sing | 1.00Å | 1.00Å | |
| N1 | H2 | sing | 1.00Å | 1.00Å | |
| C2 | H3 | sing | 1.10Å | 1.10Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C5 | H7 | sing | 1.10Å | 1.10Å | |
| C6 | H8 | sing | 1.10Å | 1.10Å | |
| C6 | H9 | sing | 1.10Å | 1.10Å | |
| C7 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| N3 | H16 | sing | 1.00Å | 1.00Å | |
| C11 | H17 | sing | 1.10Å | 1.10Å | |
| C11 | H18 | sing | 1.10Å | 1.10Å | |
| C12 | H19 | sing | 1.10Å | 1.10Å | |
| C12 | H20 | sing | 1.10Å | 1.10Å | |
| C13 | H21 | sing | 1.10Å | 1.10Å | |
| C13 | H22 | sing | 1.10Å | 1.10Å | |
| C14 | H23 | sing | 1.10Å | 1.10Å | |
| C14 | H24 | sing | 1.10Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| N9 | H29 | sing | 0.98Å | 0.98Å | |
| C20 | H30 | sing | 1.10Å | 1.10Å | |
| C20 | H31 | sing | 1.10Å | 1.10Å | |
| C21 | H32 | sing | 1.10Å | 1.10Å | |
| C21 | H33 | sing | 1.10Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C25 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 116.6° | 116.6° |
| C24 | C25 | C26 | 119.5° | 119.5° |
| C24 | C25 | H35 | 120.2° | 120.2° |
| C25 | C24 | H36 | 121.7° | 121.7° |
| C24 | C23 | N6 | 120.8° | 120.8° |
| C23 | C24 | H36 | 121.7° | 121.7° |
| C24 | C23 | H37 | 119.6° | 119.6° |
| C25 | C26 | C22 | 119.0° | 119.0° |
| C25 | C26 | H34 | 120.5° | 120.5° |
| C26 | C25 | H35 | 120.3° | 120.3° |
| C23 | N6 | C22 | 123.9° | 123.9° |
| C23 | N6 | CU1 | 113.0° | 113.0° |
| N6 | C23 | H37 | 119.6° | 119.6° |
| C26 | C22 | N6 | 119.3° | 119.3° |
| C26 | C22 | C21 | 114.6° | 114.6° |
| C22 | C26 | H34 | 120.5° | 120.5° |
| C22 | N6 | CU1 | 121.5° | 121.5° |
| N6 | C22 | C21 | 125.1° | 125.1° |
| N6 | CU1 | N7 | 94.7° | 94.7° |
| N6 | CU1 | N5 | 178.0° | 178.0° |
| N6 | CU1 | N4 | 97.0° | 97.0° |
| N9 | N8 | N7 | 177.0° | 177.0° |
| N8 | N9 | H29 | 124.5° | 124.5° |
| N8 | N7 | CU1 | 138.5° | 138.5° |
| N7 | CU1 | N5 | 86.5° | 86.5° |
| N7 | CU1 | N4 | 105.6° | 105.6° |
| C22 | C21 | C20 | 121.0° | 121.0° |
| C22 | C21 | H32 | 106.5° | 106.5° |
| C22 | C21 | H33 | 106.5° | 106.5° |
| N5 | CU1 | N4 | 84.2° | 84.2° |
| CU1 | N5 | C16 | 115.1° | 115.1° |
| CU1 | N5 | C15 | 124.5° | 124.5° |
| CU1 | N4 | C20 | 102.0° | 102.0° |
| CU1 | N4 | C12 | 110.3° | 110.3° |
| CU1 | N4 | C13 | 124.2° | 124.2° |
| C17 | C16 | N5 | 121.3° | 121.3° |
| C16 | C17 | C18 | 120.7° | 120.7° |
| C16 | C17 | H27 | 119.7° | 119.7° |
| C17 | C16 | H28 | 119.4° | 119.4° |
| C16 | N5 | C15 | 120.1° | 120.1° |
| N5 | C16 | H28 | 119.3° | 119.3° |
| C17 | C18 | C19 | 117.4° | 117.4° |
| C17 | C18 | H26 | 121.3° | 121.3° |
| C18 | C17 | H27 | 119.7° | 119.6° |
| N5 | C15 | C19 | 122.7° | 122.7° |
| N5 | C15 | C14 | 121.3° | 121.3° |
| C21 | C20 | N4 | 119.5° | 119.5° |
| C21 | C20 | H30 | 106.9° | 106.9° |
| C21 | C20 | H31 | 106.9° | 106.9° |
| C20 | C21 | H32 | 106.5° | 106.5° |
| C20 | C21 | H33 | 106.5° | 106.5° |
| C18 | C19 | C15 | 117.6° | 117.6° |
| C18 | C19 | H25 | 121.2° | 121.2° |
| C19 | C18 | H26 | 121.3° | 121.3° |
| C19 | C15 | C14 | 116.0° | 116.0° |
| C15 | C19 | H25 | 121.2° | 121.2° |
| C15 | C14 | C13 | 104.1° | 104.1° |
| C15 | C14 | H23 | 110.8° | 110.8° |
| C15 | C14 | H24 | 110.8° | 110.8° |
| C20 | N4 | C12 | 113.9° | 113.9° |
| C20 | N4 | C13 | 96.3° | 96.3° |
| N4 | C20 | H30 | 106.9° | 106.9° |
| N4 | C20 | H31 | 106.9° | 106.9° |
| C12 | N4 | C13 | 109.1° | 109.1° |
| N4 | C12 | C11 | 112.6° | 112.6° |
| N4 | C12 | H19 | 108.7° | 108.7° |
| N4 | C12 | H20 | 108.7° | 108.7° |
| N4 | C13 | C14 | 111.7° | 111.7° |
| N4 | C13 | H21 | 108.9° | 108.9° |
| N4 | C13 | H22 | 108.9° | 108.9° |
| C12 | C11 | N3 | 103.2° | 103.2° |
| C12 | C11 | H17 | 111.0° | 111.0° |
| C12 | C11 | H18 | 111.0° | 111.0° |
| C11 | C12 | H19 | 108.7° | 108.7° |
| C11 | C12 | H20 | 108.7° | 108.7° |
| C14 | C13 | H21 | 108.9° | 108.9° |
| C14 | C13 | H22 | 108.9° | 108.9° |
| C13 | C14 | H23 | 110.8° | 110.8° |
| C13 | C14 | H24 | 110.8° | 110.8° |
| O2 | C10 | N3 | 123.4° | 123.4° |
| O2 | C10 | C9 | 121.4° | 121.4° |
| N3 | C10 | C9 | 115.2° | 115.2° |
| C10 | N3 | C11 | 115.0° | 115.0° |
| C10 | N3 | H16 | 122.5° | 122.5° |
| C10 | C9 | C8 | 110.5° | 110.5° |
| C10 | C9 | H14 | 109.2° | 109.2° |
| C10 | C9 | H15 | 109.2° | 109.2° |
| C11 | N3 | H16 | 122.5° | 122.5° |
| N3 | C11 | H17 | 111.0° | 111.0° |
| N3 | C11 | H18 | 111.0° | 111.0° |
| C9 | C8 | C7 | 112.3° | 112.3° |
| C9 | C8 | H12 | 108.8° | 108.8° |
| C9 | C8 | H13 | 108.8° | 108.8° |
| C8 | C9 | H14 | 109.2° | 109.2° |
| C8 | C9 | H15 | 109.2° | 109.2° |
| C8 | C7 | C6 | 109.2° | 109.2° |
| C8 | C7 | H10 | 109.5° | 109.5° |
| C8 | C7 | H11 | 109.6° | 109.6° |
| C7 | C8 | H12 | 108.8° | 108.8° |
| C7 | C8 | H13 | 108.8° | 108.8° |
| C7 | C6 | C5 | 110.0° | 110.0° |
| C7 | C6 | H8 | 109.3° | 109.3° |
| C7 | C6 | H9 | 109.4° | 109.3° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.6° | 109.6° |
| C6 | C5 | C4 | 114.3° | 114.3° |
| C6 | C5 | S1 | 118.6° | 118.6° |
| C6 | C5 | H7 | 107.4° | 107.4° |
| C5 | C6 | H8 | 109.3° | 109.3° |
| C5 | C6 | H9 | 109.3° | 109.3° |
| C4 | C5 | S1 | 104.0° | 104.0° |
| C5 | C4 | N2 | 110.8° | 110.8° |
| C5 | C4 | C2 | 110.5° | 110.5° |
| C5 | C4 | H4 | 111.3° | 111.3° |
| C4 | C5 | H7 | 107.1° | 107.1° |
| C5 | S1 | C3 | 90.1° | 90.1° |
| S1 | C5 | H7 | 104.7° | 104.7° |
| C4 | N2 | C1 | 108.2° | 108.2° |
| N2 | C4 | C2 | 100.4° | 100.4° |
| C4 | N2 | H1 | 125.9° | 125.9° |
| N2 | C4 | H4 | 112.6° | 112.6° |
| N2 | C1 | O1 | 121.0° | 121.0° |
| N2 | C1 | N1 | 120.7° | 120.7° |
| C1 | N2 | H1 | 125.9° | 125.9° |
| C4 | C2 | C3 | 104.1° | 104.1° |
| C4 | C2 | N1 | 104.7° | 104.7° |
| C4 | C2 | H3 | 110.7° | 110.7° |
| C2 | C4 | H4 | 110.7° | 110.7° |
| S1 | C3 | C2 | 107.0° | 107.0° |
| S1 | C3 | H5 | 110.1° | 110.1° |
| S1 | C3 | H6 | 110.1° | 110.1° |
| O1 | C1 | N1 | 118.0° | 118.0° |
| C1 | N1 | C2 | 105.9° | 105.9° |
| C1 | N1 | H2 | 127.1° | 127.1° |
| C3 | C2 | N1 | 112.9° | 112.9° |
| C3 | C2 | H3 | 111.0° | 111.0° |
| C2 | C3 | H5 | 110.1° | 110.1° |
| C2 | C3 | H6 | 110.1° | 110.1° |
| C2 | N1 | H2 | 127.0° | 127.0° |
| N1 | C2 | H3 | 112.8° | 112.8° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H36 | 180.0° | 180.0° |
| C24 | C25 | C26 | H35 | 180.0° | 180.0° |
| C25 | C24 | C23 | N6 | 3.7° | 3.7° |
| C24 | C25 | C26 | C22 | 1.4° | 1.4° |
| C24 | C25 | C26 | H34 | 178.6° | 178.6° |
| C25 | C24 | C23 | H37 | 176.3° | 176.3° |
| C23 | C24 | C25 | C26 | 1.9° | 1.9° |
| C24 | C23 | N6 | H37 | 180.0° | 180.0° |
| C24 | C23 | N6 | C22 | 10.8° | 10.8° |
| C24 | C23 | N6 | CU1 | 176.5° | 176.5° |
| C23 | C24 | C25 | H35 | 178.1° | 178.1° |
| C25 | C26 | C22 | H34 | 180.0° | 180.0° |
| C25 | C26 | C22 | N6 | 4.9° | 4.9° |
| C25 | C26 | C22 | C21 | 174.4° | 174.4° |
| C26 | C25 | C24 | H36 | 178.1° | 178.1° |
| C23 | N6 | C22 | C26 | 11.2° | 11.2° |
| C23 | N6 | C22 | CU1 | 164.5° | 164.5° |
| C23 | N6 | CU1 | N7 | 53.4° | 53.4° |
| C23 | N6 | C22 | C21 | 179.5° | 179.5° |
| C23 | N6 | CU1 | N5 | 75.0° | 75.0° |
| C23 | N6 | CU1 | N4 | 159.8° | 159.8° |
| N6 | C23 | C24 | H36 | 176.2° | 176.2° |
| C26 | C22 | N6 | C21 | 168.2° | 168.2° |
| C26 | C22 | N6 | CU1 | 175.7° | 175.7° |
| C26 | C22 | C21 | C20 | 178.5° | 178.5° |
| C26 | C22 | C21 | H32 | 56.9° | 56.9° |
| C26 | C22 | C21 | H33 | 59.9° | 59.9° |
| C22 | C26 | C25 | H35 | 178.6° | 178.6° |
| C22 | N6 | CU1 | N7 | 140.5° | 140.5° |
| C22 | N6 | CU1 | N5 | 91.0° | 91.0° |
| C22 | N6 | CU1 | N4 | 34.2° | 34.2° |
| N6 | C22 | C21 | C20 | 12.8° | 12.8° |
| N6 | C22 | C21 | H32 | 134.4° | 134.4° |
| N6 | C22 | C21 | H33 | 108.9° | 108.9° |
| N6 | C22 | C26 | H34 | 175.1° | 175.1° |
| C22 | N6 | C23 | H37 | 169.2° | 169.2° |
| N6 | CU1 | N7 | N8 | 32.6° | 32.6° |
| N6 | CU1 | N7 | N5 | 178.4° | 178.4° |
| N6 | CU1 | N7 | N4 | 98.6° | 98.6° |
| CU1 | N6 | C22 | C21 | 16.0° | 16.0° |
| N6 | CU1 | N5 | N4 | 125.4° | 125.4° |
| N6 | CU1 | N5 | C16 | 87.0° | 87.0° |
| N6 | CU1 | N5 | C15 | 87.0° | 87.0° |
| N6 | CU1 | N4 | C20 | 52.4° | 52.4° |
| N6 | CU1 | N4 | C12 | 69.0° | 69.0° |
| N6 | CU1 | N4 | C13 | 158.7° | 158.7° |
| CU1 | N6 | C23 | H37 | 3.5° | 3.5° |
| N9 | N8 | N7 | CU1 | 127.8° | 127.8° |
| N8 | N7 | CU1 | N5 | 149.0° | 149.0° |
| N8 | N7 | CU1 | N4 | 66.1° | 66.1° |
| N7 | N8 | N9 | H29 | 145.2° | 145.2° |
| N7 | CU1 | N5 | N4 | 106.1° | 106.1° |
| N7 | CU1 | N5 | C16 | 41.5° | 41.5° |
| N7 | CU1 | N5 | C15 | 144.5° | 144.5° |
| N7 | CU1 | N4 | C20 | 149.3° | 149.3° |
| N7 | CU1 | N4 | C12 | 27.9° | 27.9° |
| N7 | CU1 | N4 | C13 | 104.4° | 104.4° |
| C22 | C21 | C20 | H32 | 121.6° | 121.6° |
| C22 | C21 | C20 | H33 | 121.6° | 121.6° |
| C22 | C21 | C20 | N4 | 44.3° | 44.3° |
| C22 | C21 | C20 | H30 | 77.1° | 77.1° |
| C22 | C21 | C20 | H31 | 165.7° | 165.7° |
| C22 | C21 | H32 | H33 | 114.8° | 114.8° |
| C21 | C22 | C26 | H34 | 5.6° | 5.6° |
| CU1 | N5 | C16 | C17 | 179.2° | 179.2° |
| CU1 | N5 | C16 | C15 | 174.3° | 174.3° |
| CU1 | N5 | C15 | C19 | 178.1° | 178.1° |
| CU1 | N5 | C15 | C14 | 4.1° | 4.1° |
| N5 | CU1 | N4 | C20 | 126.0° | 126.0° |
| N5 | CU1 | N4 | C12 | 112.7° | 112.7° |
| N5 | CU1 | N4 | C13 | 19.7° | 19.7° |
| CU1 | N5 | C16 | H28 | 0.8° | 0.8° |
| N4 | CU1 | N5 | C16 | 147.6° | 147.6° |
| N4 | CU1 | N5 | C15 | 38.4° | 38.4° |
| CU1 | N4 | C20 | C21 | 63.3° | 63.3° |
| CU1 | N4 | C20 | C12 | 118.8° | 118.8° |
| CU1 | N4 | C20 | C13 | 127.0° | 127.0° |
| CU1 | N4 | C12 | C13 | 139.7° | 139.7° |
| CU1 | N4 | C12 | C11 | 177.2° | 177.2° |
| CU1 | N4 | C13 | C14 | 29.4° | 29.4° |
| CU1 | N4 | C12 | H19 | 56.7° | 56.7° |
| CU1 | N4 | C12 | H20 | 62.3° | 62.3° |
| CU1 | N4 | C13 | H21 | 149.7° | 149.7° |
| CU1 | N4 | C13 | H22 | 90.9° | 90.9° |
| CU1 | N4 | C20 | H30 | 58.1° | 58.1° |
| CU1 | N4 | C20 | H31 | 175.2° | 175.2° |
| C17 | C16 | N5 | H28 | 180.0° | 180.0° |
| C16 | C17 | C18 | H27 | 180.0° | 180.0° |
| C17 | C16 | N5 | C15 | 4.9° | 4.9° |
| C16 | C17 | C18 | C19 | 0.9° | 0.9° |
| C16 | C17 | C18 | H26 | 179.1° | 179.0° |
| N5 | C16 | C17 | C18 | 3.2° | 3.2° |
| C16 | N5 | C15 | C19 | 4.4° | 4.4° |
| C16 | N5 | C15 | C14 | 177.9° | 177.9° |
| N5 | C16 | C17 | H27 | 176.8° | 176.8° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C17 | C18 | C19 | C15 | 0.4° | 0.4° |
| C17 | C18 | C19 | H25 | 179.6° | 179.6° |
| C18 | C17 | C16 | H28 | 176.8° | 176.8° |
| N5 | C15 | C19 | C18 | 2.1° | 2.1° |
| N5 | C15 | C19 | C14 | 177.8° | 177.8° |
| N5 | C15 | C14 | C13 | 58.4° | 58.4° |
| N5 | C15 | C14 | H23 | 177.5° | 177.5° |
| N5 | C15 | C14 | H24 | 60.7° | 60.7° |
| N5 | C15 | C19 | H25 | 177.9° | 177.9° |
| C15 | N5 | C16 | H28 | 175.1° | 175.1° |
| C21 | C20 | N4 | H30 | 121.4° | 121.4° |
| C21 | C20 | N4 | H31 | 121.4° | 121.4° |
| C21 | C20 | N4 | C12 | 55.5° | 55.5° |
| C21 | C20 | N4 | C13 | 169.7° | 169.7° |
| C21 | C20 | H30 | H31 | 115.5° | 115.5° |
| C20 | C21 | H32 | H33 | 114.8° | 114.8° |
| C18 | C19 | C15 | H25 | 180.0° | 180.0° |
| C18 | C19 | C15 | C14 | 180.0° | 180.0° |
| C19 | C18 | C17 | H27 | 179.1° | 179.1° |
| C19 | C15 | C14 | C13 | 119.5° | 119.5° |
| C19 | C15 | C14 | H23 | 0.3° | 0.3° |
| C19 | C15 | C14 | H24 | 121.4° | 121.4° |
| C15 | C19 | C18 | H26 | 179.6° | 179.6° |
| C15 | C14 | C13 | N4 | 73.6° | 73.6° |
| C15 | C14 | C13 | H23 | 119.2° | 119.2° |
| C15 | C14 | C13 | H24 | 119.1° | 119.1° |
| C15 | C14 | C13 | H21 | 166.1° | 166.1° |
| C15 | C14 | C13 | H22 | 46.7° | 46.7° |
| C15 | C14 | H23 | H24 | 122.5° | 122.5° |
| C14 | C15 | C19 | H25 | 0.0° | 0.0° |
| C20 | N4 | C12 | C13 | 106.4° | 106.4° |
| C20 | N4 | C12 | C11 | 63.2° | 63.2° |
| C20 | N4 | C13 | C14 | 79.8° | 79.8° |
| C20 | N4 | C12 | H19 | 57.2° | 57.2° |
| C20 | N4 | C12 | H20 | 176.3° | 176.3° |
| C20 | N4 | C13 | H21 | 40.6° | 40.6° |
| C20 | N4 | C13 | H22 | 159.9° | 159.9° |
| N4 | C20 | H30 | H31 | 115.4° | 115.4° |
| N4 | C20 | C21 | H32 | 165.9° | 165.9° |
| N4 | C20 | C21 | H33 | 77.4° | 77.4° |
| N4 | C12 | C11 | H19 | 120.4° | 120.4° |
| N4 | C12 | C11 | H20 | 120.5° | 120.5° |
| C12 | N4 | C13 | C14 | 162.2° | 162.2° |
| N4 | C12 | C11 | N3 | 171.5° | 171.5° |
| N4 | C12 | C11 | H17 | 69.5° | 69.5° |
| N4 | C12 | C11 | H18 | 52.5° | 52.5° |
| N4 | C12 | H19 | H20 | 118.6° | 118.6° |
| C12 | N4 | C13 | H21 | 77.5° | 77.5° |
| C12 | N4 | C13 | H22 | 41.8° | 41.8° |
| C12 | N4 | C20 | H30 | 176.9° | 176.9° |
| C12 | N4 | C20 | H31 | 66.0° | 66.0° |
| C13 | N4 | C12 | C11 | 43.1° | 43.1° |
| N4 | C13 | C14 | H21 | 120.3° | 120.3° |
| N4 | C13 | C14 | H22 | 120.3° | 120.3° |
| C13 | N4 | C12 | H19 | 163.6° | 163.6° |
| C13 | N4 | C12 | H20 | 77.3° | 77.3° |
| N4 | C13 | H21 | H22 | 119.0° | 119.0° |
| N4 | C13 | C14 | H23 | 167.2° | 167.2° |
| N4 | C13 | C14 | H24 | 45.5° | 45.5° |
| C13 | N4 | C20 | H30 | 68.9° | 68.9° |
| C13 | N4 | C20 | H31 | 48.2° | 48.2° |
| C12 | C11 | N3 | C10 | 88.3° | 88.3° |
| C12 | C11 | N3 | H17 | 119.0° | 119.0° |
| C12 | C11 | N3 | H18 | 119.0° | 119.0° |
| C12 | C11 | N3 | H16 | 91.7° | 91.7° |
| C12 | C11 | H17 | H18 | 122.9° | 122.9° |
| C11 | C12 | H19 | H20 | 118.6° | 118.6° |
| C14 | C13 | H21 | H22 | 119.0° | 119.0° |
| C13 | C14 | H23 | H24 | 122.5° | 122.5° |
| O2 | C10 | N3 | C9 | 179.6° | 179.6° |
| O2 | C10 | N3 | C11 | 19.5° | 19.5° |
| O2 | C10 | C9 | C8 | 47.3° | 47.3° |
| O2 | C10 | C9 | H14 | 72.8° | 72.8° |
| O2 | C10 | C9 | H15 | 167.5° | 167.5° |
| O2 | C10 | N3 | H16 | 160.5° | 160.5° |
| C10 | N3 | C11 | H16 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 132.2° | 132.2° |
| N3 | C10 | C9 | H14 | 107.6° | 107.6° |
| N3 | C10 | C9 | H15 | 12.1° | 12.1° |
| C10 | N3 | C11 | H17 | 152.7° | 152.7° |
| C10 | N3 | C11 | H18 | 30.7° | 30.7° |
| C9 | C10 | N3 | C11 | 160.1° | 160.1° |
| C10 | C9 | C8 | H14 | 120.1° | 120.2° |
| C10 | C9 | C8 | H15 | 120.1° | 120.1° |
| C10 | C9 | C8 | C7 | 61.2° | 61.2° |
| C10 | C9 | C8 | H12 | 59.2° | 59.2° |
| C10 | C9 | C8 | H13 | 178.4° | 178.4° |
| C10 | C9 | H14 | H15 | 119.5° | 119.5° |
| C9 | C10 | N3 | H16 | 19.9° | 19.9° |
| N3 | C11 | H17 | H18 | 122.9° | 122.9° |
| N3 | C11 | C12 | H19 | 51.1° | 51.1° |
| N3 | C11 | C12 | H20 | 68.0° | 68.0° |
| C9 | C8 | C7 | H12 | 120.4° | 120.4° |
| C9 | C8 | C7 | H13 | 120.4° | 120.4° |
| C9 | C8 | C7 | C6 | 175.8° | 175.8° |
| C9 | C8 | C7 | H10 | 64.2° | 64.2° |
| C9 | C8 | C7 | H11 | 55.8° | 55.8° |
| C9 | C8 | H12 | H13 | 118.7° | 118.7° |
| C8 | C9 | H14 | H15 | 119.6° | 119.5° |
| C8 | C7 | C6 | H10 | 120.0° | 120.0° |
| C8 | C7 | C6 | H11 | 120.0° | 120.0° |
| C8 | C7 | C6 | C5 | 176.5° | 176.5° |
| C8 | C7 | C6 | H8 | 63.4° | 63.4° |
| C8 | C7 | C6 | H9 | 56.4° | 56.4° |
| C8 | C7 | H10 | H11 | 120.1° | 120.1° |
| C7 | C8 | H12 | H13 | 118.7° | 118.7° |
| C7 | C8 | C9 | H14 | 178.6° | 178.6° |
| C7 | C8 | C9 | H15 | 58.9° | 58.9° |
| C7 | C6 | C5 | H8 | 120.1° | 120.1° |
| C7 | C6 | C5 | H9 | 120.1° | 120.1° |
| C7 | C6 | C5 | C4 | 164.2° | 164.2° |
| C7 | C6 | C5 | S1 | 72.6° | 72.6° |
| C7 | C6 | C5 | H7 | 45.5° | 45.5° |
| C7 | C6 | H8 | H9 | 119.8° | 119.7° |
| C6 | C7 | H10 | H11 | 120.1° | 120.1° |
| C6 | C7 | C8 | H12 | 55.4° | 55.4° |
| C6 | C7 | C8 | H13 | 63.8° | 63.8° |
| C6 | C5 | C4 | S1 | 130.8° | 130.8° |
| C6 | C5 | C4 | H7 | 118.8° | 118.8° |
| C6 | C5 | S1 | H7 | 119.6° | 119.6° |
| C6 | C5 | C4 | N2 | 49.3° | 49.3° |
| C6 | C5 | C4 | C2 | 159.7° | 159.7° |
| C6 | C5 | S1 | C3 | 171.1° | 171.1° |
| C6 | C5 | C4 | H4 | 76.8° | 76.8° |
| C5 | C6 | H8 | H9 | 119.7° | 119.7° |
| C5 | C6 | C7 | H10 | 56.5° | 56.5° |
| C5 | C6 | C7 | H11 | 63.5° | 63.5° |
| C4 | C5 | S1 | H7 | 112.2° | 112.2° |
| C5 | C4 | N2 | C2 | 116.8° | 116.8° |
| C5 | C4 | N2 | H4 | 125.4° | 125.4° |
| C5 | C4 | N2 | C1 | 115.8° | 115.8° |
| C5 | C4 | C2 | H4 | 123.8° | 123.8° |
| C4 | C5 | S1 | C3 | 42.9° | 42.9° |
| C5 | C4 | C2 | C3 | 1.9° | 1.9° |
| C5 | C4 | C2 | N1 | 116.9° | 116.9° |
| C5 | C4 | N2 | H1 | 64.2° | 64.2° |
| C5 | C4 | C2 | H3 | 121.2° | 121.2° |
| C4 | C5 | C6 | H8 | 44.1° | 44.1° |
| C4 | C5 | C6 | H9 | 75.7° | 75.8° |
| S1 | C5 | C4 | N2 | 81.5° | 81.5° |
| S1 | C5 | C4 | C2 | 28.9° | 28.9° |
| C5 | S1 | C3 | C2 | 45.9° | 45.9° |
| S1 | C5 | C4 | H4 | 152.4° | 152.4° |
| C5 | S1 | C3 | H5 | 165.5° | 165.5° |
| C5 | S1 | C3 | H6 | 73.8° | 73.8° |
| S1 | C5 | C6 | H8 | 167.3° | 167.3° |
| S1 | C5 | C6 | H9 | 47.5° | 47.4° |
| C4 | N2 | C1 | H1 | 180.0° | 180.0° |
| N2 | C4 | C2 | H4 | 119.1° | 119.1° |
| C4 | N2 | C1 | O1 | 176.5° | 176.5° |
| C4 | N2 | C1 | N1 | 1.8° | 1.8° |
| N2 | C4 | C2 | C3 | 119.0° | 119.0° |
| N2 | C4 | C2 | N1 | 0.2° | 0.2° |
| N2 | C4 | C2 | H3 | 121.7° | 121.7° |
| N2 | C4 | C5 | H7 | 168.1° | 168.1° |
| C1 | N2 | C4 | C2 | 1.0° | 1.0° |
| N2 | C1 | O1 | N1 | 174.8° | 174.8° |
| N2 | C1 | N1 | C2 | 1.6° | 1.6° |
| N2 | C1 | N1 | H2 | 178.4° | 178.4° |
| C1 | N2 | C4 | H4 | 118.8° | 118.8° |
| C4 | C2 | C3 | S1 | 33.4° | 33.4° |
| C4 | C2 | N1 | C1 | 0.7° | 0.7° |
| C4 | C2 | C3 | N1 | 113.0° | 113.0° |
| C4 | C2 | C3 | H3 | 119.1° | 119.1° |
| C4 | C2 | N1 | H3 | 120.5° | 120.5° |
| C2 | C4 | N2 | H1 | 179.0° | 179.0° |
| C4 | C2 | N1 | H2 | 179.3° | 179.3° |
| C4 | C2 | C3 | H5 | 152.9° | 152.9° |
| C4 | C2 | C3 | H6 | 86.2° | 86.2° |
| C2 | C4 | C5 | H7 | 81.5° | 81.5° |
| S1 | C3 | C2 | H5 | 119.6° | 119.6° |
| S1 | C3 | C2 | H6 | 119.6° | 119.6° |
| S1 | C3 | C2 | N1 | 79.6° | 79.6° |
| S1 | C3 | C2 | H3 | 152.5° | 152.5° |
| S1 | C3 | H5 | H6 | 121.1° | 121.1° |
| C3 | S1 | C5 | H7 | 69.3° | 69.3° |
| O1 | C1 | N1 | C2 | 176.5° | 176.5° |
| O1 | C1 | N2 | H1 | 3.5° | 3.5° |
| O1 | C1 | N1 | H2 | 3.5° | 3.5° |
| C1 | N1 | C2 | C3 | 112.0° | 112.0° |
| C1 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C1 | N2 | H1 | 178.2° | 178.2° |
| C1 | N1 | C2 | H3 | 121.2° | 121.2° |
| C3 | C2 | N1 | H3 | 126.9° | 126.9° |
| C3 | C2 | N1 | H2 | 68.1° | 68.1° |
| C3 | C2 | C4 | H4 | 121.9° | 121.9° |
| C2 | C3 | H5 | H6 | 121.2° | 121.2° |
| N1 | C2 | C4 | H4 | 119.3° | 119.3° |
| N1 | C2 | C3 | H5 | 39.9° | 39.9° |
| N1 | C2 | C3 | H6 | 160.7° | 160.7° |
| H1 | N2 | C4 | H4 | 61.2° | 61.2° |
| H2 | N1 | C2 | H3 | 58.8° | 58.8° |
| H3 | C2 | C4 | H4 | 2.6° | 2.6° |
| H3 | C2 | C3 | H5 | 87.9° | 87.9° |
| H3 | C2 | C3 | H6 | 32.9° | 32.9° |
| H4 | C4 | C5 | H7 | 42.0° | 42.0° |
| H7 | C5 | C6 | H8 | 74.6° | 74.6° |
| H7 | C5 | C6 | H9 | 165.7° | 165.6° |
| H8 | C6 | C7 | H10 | 176.6° | 176.6° |
| H8 | C6 | C7 | H11 | 56.6° | 56.6° |
| H9 | C6 | C7 | H10 | 63.6° | 63.6° |
| H9 | C6 | C7 | H11 | 176.4° | 176.4° |
| H10 | C7 | C8 | H12 | 175.4° | 175.4° |
| H10 | C7 | C8 | H13 | 56.2° | 56.2° |
| H11 | C7 | C8 | H12 | 64.6° | 64.6° |
| H11 | C7 | C8 | H13 | 176.3° | 176.3° |
| H12 | C8 | C9 | H14 | 61.0° | 61.0° |
| H12 | C8 | C9 | H15 | 179.3° | 179.3° |
| H13 | C8 | C9 | H14 | 58.2° | 58.2° |
| H13 | C8 | C9 | H15 | 61.5° | 61.5° |
| H16 | N3 | C11 | H17 | 27.3° | 27.3° |
| H16 | N3 | C11 | H18 | 149.3° | 149.3° |
| H17 | C11 | C12 | H19 | 170.1° | 170.1° |
| H17 | C11 | C12 | H20 | 51.0° | 51.0° |
| H18 | C11 | C12 | H19 | 67.9° | 67.9° |
| H18 | C11 | C12 | H20 | 173.0° | 173.0° |
| H21 | C13 | C14 | H23 | 46.9° | 46.9° |
| H21 | C13 | C14 | H24 | 74.8° | 74.8° |
| H22 | C13 | C14 | H23 | 72.4° | 72.4° |
| H22 | C13 | C14 | H24 | 165.9° | 165.9° |
| H25 | C19 | C18 | H26 | 0.4° | 0.5° |
| H26 | C18 | C17 | H27 | 0.9° | 1.0° |
| H27 | C17 | C16 | H28 | 3.2° | 3.2° |
| H30 | C20 | C21 | H32 | 44.5° | 44.5° |
| H30 | C20 | C21 | H33 | 161.3° | 161.3° |
| H31 | C20 | C21 | H32 | 72.7° | 72.7° |
| H31 | C20 | C21 | H33 | 44.1° | 44.1° |
| H34 | C26 | C25 | H35 | 1.4° | 1.4° |
| H35 | C25 | C24 | H36 | 1.9° | 1.9° |
| H36 | C24 | C23 | H37 | 3.7° | 3.7° |
