SI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | N6 | doub | 1.42Å | 1.42Å | Aromatic |
| C26 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| N6 | C22 | sing | 1.42Å | 1.42Å | Aromatic |
| N6 | CU1 | sing | 1.98Å | 1.98Å | |
| O4 | O3 | sing | 1.54Å | 1.54Å | |
| O3 | CU1 | sing | 1.93Å | 1.93Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | N5 | sing | 1.42Å | 1.42Å | Aromatic |
| CU1 | N5 | sing | 1.99Å | 1.99Å | |
| CU1 | N4 | sing | 2.01Å | 2.01Å | |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.52Å | 1.52Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| C15 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.50Å | 1.50Å | |
| N4 | C12 | sing | 1.46Å | 1.46Å | |
| N4 | C13 | sing | 1.44Å | 1.44Å | |
| C12 | C11 | sing | 1.54Å | 1.54Å | |
| O2 | C10 | doub | 1.39Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C10 | N3 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C11 | N3 | sing | 1.45Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C5 | C4 | sing | 1.52Å | 1.52Å | |
| C5 | S1 | sing | 1.80Å | 1.80Å | |
| C4 | N2 | sing | 1.46Å | 1.46Å | |
| C4 | C2 | sing | 1.60Å | 1.60Å | |
| N2 | C1 | sing | 1.33Å | 1.33Å | |
| S1 | C3 | sing | 1.79Å | 1.79Å | |
| C1 | O1 | doub | 1.36Å | 1.36Å | |
| C1 | N1 | sing | 1.33Å | 1.33Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C2 | N1 | sing | 1.44Å | 1.44Å | |
| C23 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.10Å | 1.10Å | |
| C21 | H6 | sing | 1.10Å | 1.10Å | |
| C20 | H7 | sing | 1.10Å | 1.10Å | |
| C20 | H8 | sing | 1.10Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C13 | H15 | sing | 1.10Å | 1.10Å | |
| C13 | H16 | sing | 1.10Å | 1.10Å | |
| C12 | H17 | sing | 1.10Å | 1.10Å | |
| C12 | H18 | sing | 1.10Å | 1.10Å | |
| C11 | H19 | sing | 1.10Å | 1.10Å | |
| C11 | H20 | sing | 1.10Å | 1.10Å | |
| N3 | H21 | sing | 1.00Å | 1.00Å | |
| C9 | H22 | sing | 1.10Å | 1.10Å | |
| C9 | H23 | sing | 1.10Å | 1.10Å | |
| C8 | H24 | sing | 1.10Å | 1.10Å | |
| C8 | H25 | sing | 1.10Å | 1.10Å | |
| C7 | H26 | sing | 1.10Å | 1.10Å | |
| C7 | H27 | sing | 1.10Å | 1.10Å | |
| C6 | H28 | sing | 1.10Å | 1.10Å | |
| C6 | H29 | sing | 1.10Å | 1.10Å | |
| C5 | H30 | sing | 1.10Å | 1.10Å | |
| C4 | H31 | sing | 1.10Å | 1.10Å | |
| N2 | H32 | sing | 1.00Å | 1.00Å | |
| C3 | H33 | sing | 1.10Å | 1.10Å | |
| C3 | H34 | sing | 1.10Å | 1.10Å | |
| C2 | H35 | sing | 1.10Å | 1.10Å | |
| N1 | H36 | sing | 1.00Å | 1.00Å | |
| O4 | H37 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.2° | 120.2° |
| C24 | C25 | C26 | 120.8° | 120.8° |
| C25 | C24 | H2 | 119.9° | 119.9° |
| C24 | C25 | H3 | 119.6° | 119.6° |
| C24 | C23 | N6 | 119.7° | 119.7° |
| C24 | C23 | H1 | 120.2° | 120.2° |
| C23 | C24 | H2 | 119.9° | 119.9° |
| C25 | C26 | C22 | 120.2° | 120.2° |
| C26 | C25 | H3 | 119.6° | 119.6° |
| C25 | C26 | H4 | 119.9° | 119.9° |
| C23 | N6 | C22 | 119.7° | 119.7° |
| C23 | N6 | CU1 | 119.8° | 119.8° |
| N6 | C23 | H1 | 120.2° | 120.2° |
| C26 | C22 | N6 | 119.3° | 119.3° |
| C26 | C22 | C21 | 120.4° | 120.4° |
| C22 | C26 | H4 | 119.9° | 119.9° |
| C22 | N6 | CU1 | 120.5° | 120.5° |
| N6 | C22 | C21 | 120.2° | 120.2° |
| N6 | CU1 | O3 | 87.5° | 87.5° |
| N6 | CU1 | N5 | 164.2° | 164.2° |
| N6 | CU1 | N4 | 101.0° | 101.0° |
| O4 | O3 | CU1 | 143.3° | 143.3° |
| O3 | O4 | H37 | 109.5° | 109.5° |
| O3 | CU1 | N5 | 90.8° | 90.8° |
| O3 | CU1 | N4 | 107.3° | 107.3° |
| C22 | C21 | C20 | 110.1° | 110.1° |
| C22 | C21 | H5 | 109.3° | 109.3° |
| C22 | C21 | H6 | 109.3° | 109.3° |
| C17 | C16 | N5 | 119.8° | 119.8° |
| C16 | C17 | C18 | 120.4° | 120.4° |
| C17 | C16 | H9 | 120.1° | 120.1° |
| C16 | C17 | H10 | 119.8° | 119.8° |
| C16 | N5 | CU1 | 120.4° | 120.4° |
| C16 | N5 | C15 | 119.1° | 119.1° |
| N5 | C16 | H9 | 120.1° | 120.1° |
| N5 | CU1 | N4 | 94.5° | 94.5° |
| CU1 | N5 | C15 | 120.6° | 120.6° |
| CU1 | N4 | C20 | 91.2° | 91.2° |
| CU1 | N4 | C12 | 108.2° | 108.2° |
| CU1 | N4 | C13 | 126.0° | 126.0° |
| C17 | C18 | C19 | 120.4° | 120.4° |
| C18 | C17 | H10 | 119.8° | 119.8° |
| C17 | C18 | H11 | 119.8° | 119.8° |
| N5 | C15 | C19 | 120.1° | 120.1° |
| N5 | C15 | C14 | 119.8° | 119.8° |
| C21 | C20 | N4 | 111.3° | 111.3° |
| C20 | C21 | H5 | 109.3° | 109.3° |
| C20 | C21 | H6 | 109.3° | 109.3° |
| C21 | C20 | H7 | 109.0° | 109.0° |
| C21 | C20 | H8 | 109.0° | 109.0° |
| C18 | C19 | C15 | 120.3° | 120.3° |
| C19 | C18 | H11 | 119.8° | 119.8° |
| C18 | C19 | H12 | 119.9° | 119.9° |
| C20 | N4 | C12 | 111.8° | 111.8° |
| C20 | N4 | C13 | 108.8° | 108.8° |
| N4 | C20 | H7 | 109.0° | 109.0° |
| N4 | C20 | H8 | 109.0° | 109.0° |
| C19 | C15 | C14 | 120.1° | 120.1° |
| C15 | C19 | H12 | 119.9° | 119.9° |
| C15 | C14 | C13 | 119.6° | 119.6° |
| C15 | C14 | H13 | 106.9° | 106.9° |
| C15 | C14 | H14 | 106.9° | 106.9° |
| C12 | N4 | C13 | 109.4° | 109.4° |
| N4 | C12 | C11 | 111.6° | 111.6° |
| N4 | C12 | H17 | 108.9° | 108.9° |
| N4 | C12 | H18 | 108.9° | 108.9° |
| N4 | C13 | C14 | 110.4° | 110.4° |
| N4 | C13 | H15 | 109.3° | 109.3° |
| N4 | C13 | H16 | 109.2° | 109.2° |
| C12 | C11 | N3 | 110.2° | 110.2° |
| C11 | C12 | H17 | 108.9° | 108.9° |
| C11 | C12 | H18 | 108.9° | 108.9° |
| C12 | C11 | H19 | 109.3° | 109.3° |
| C12 | C11 | H20 | 109.3° | 109.3° |
| O2 | C10 | N3 | 120.8° | 120.8° |
| O2 | C10 | C9 | 119.5° | 119.5° |
| C13 | C14 | H13 | 106.9° | 106.9° |
| C13 | C14 | H14 | 106.9° | 106.9° |
| C14 | C13 | H15 | 109.2° | 109.2° |
| C14 | C13 | H16 | 109.2° | 109.2° |
| N3 | C10 | C9 | 119.6° | 119.6° |
| C10 | N3 | C11 | 110.9° | 110.9° |
| C10 | N3 | H21 | 124.5° | 124.5° |
| C10 | C9 | C8 | 109.9° | 109.9° |
| C10 | C9 | H22 | 109.4° | 109.4° |
| C10 | C9 | H23 | 109.4° | 109.4° |
| N3 | C11 | H19 | 109.3° | 109.3° |
| N3 | C11 | H20 | 109.3° | 109.3° |
| C11 | N3 | H21 | 124.6° | 124.6° |
| C9 | C8 | C7 | 110.4° | 110.4° |
| C8 | C9 | H22 | 109.4° | 109.4° |
| C8 | C9 | H23 | 109.4° | 109.4° |
| C9 | C8 | H24 | 109.3° | 109.3° |
| C9 | C8 | H25 | 109.2° | 109.2° |
| C8 | C7 | C6 | 109.8° | 109.8° |
| C7 | C8 | H24 | 109.3° | 109.3° |
| C7 | C8 | H25 | 109.3° | 109.3° |
| C8 | C7 | H26 | 109.4° | 109.4° |
| C8 | C7 | H27 | 109.4° | 109.4° |
| C7 | C6 | C5 | 109.9° | 109.9° |
| C6 | C7 | H26 | 109.4° | 109.4° |
| C6 | C7 | H27 | 109.4° | 109.4° |
| C7 | C6 | H28 | 109.4° | 109.4° |
| C7 | C6 | H29 | 109.3° | 109.3° |
| C6 | C5 | C4 | 109.8° | 109.8° |
| C6 | C5 | S1 | 110.6° | 110.6° |
| C5 | C6 | H28 | 109.4° | 109.4° |
| C5 | C6 | H29 | 109.4° | 109.4° |
| C6 | C5 | H30 | 112.2° | 112.2° |
| C4 | C5 | S1 | 102.5° | 102.5° |
| C5 | C4 | N2 | 119.4° | 119.4° |
| C5 | C4 | C2 | 106.3° | 106.3° |
| C4 | C5 | H30 | 112.5° | 112.5° |
| C5 | C4 | H31 | 110.1° | 110.1° |
| C5 | S1 | C3 | 86.7° | 86.7° |
| S1 | C5 | H30 | 108.8° | 108.8° |
| N2 | C4 | C2 | 100.2° | 100.2° |
| C4 | N2 | C1 | 111.8° | 111.8° |
| N2 | C4 | H31 | 111.0° | 111.0° |
| C4 | N2 | H32 | 124.1° | 124.1° |
| C4 | C2 | C3 | 106.6° | 106.6° |
| C4 | C2 | N1 | 104.7° | 104.7° |
| C2 | C4 | H31 | 109.0° | 109.0° |
| C4 | C2 | H35 | 107.5° | 107.5° |
| N2 | C1 | O1 | 122.7° | 122.7° |
| N2 | C1 | N1 | 113.8° | 113.8° |
| C1 | N2 | H32 | 124.1° | 124.1° |
| S1 | C3 | C2 | 101.7° | 101.7° |
| S1 | C3 | H33 | 111.4° | 111.4° |
| S1 | C3 | H34 | 111.4° | 111.4° |
| O1 | C1 | N1 | 123.2° | 123.2° |
| C1 | N1 | C2 | 109.4° | 109.4° |
| C1 | N1 | H36 | 125.3° | 125.3° |
| C3 | C2 | N1 | 119.4° | 119.4° |
| C2 | C3 | H33 | 111.4° | 111.4° |
| C2 | C3 | H34 | 111.4° | 111.4° |
| C3 | C2 | H35 | 108.4° | 108.4° |
| N1 | C2 | H35 | 109.6° | 109.5° |
| C2 | N1 | H36 | 125.3° | 125.3° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H24 | C8 | H25 | 109.5° | 109.5° |
| H26 | C7 | H27 | 109.5° | 109.5° |
| H28 | C6 | H29 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H2 | 180.0° | 180.0° |
| C24 | C25 | C26 | H3 | 180.0° | 180.0° |
| C25 | C24 | C23 | N6 | 0.1° | 0.1° |
| C24 | C25 | C26 | C22 | 0.1° | 0.1° |
| C25 | C24 | C23 | H1 | 179.9° | 179.9° |
| C24 | C25 | C26 | H4 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.3° |
| C24 | C23 | N6 | H1 | 180.0° | 180.0° |
| C24 | C23 | N6 | C22 | 0.7° | 0.7° |
| C24 | C23 | N6 | CU1 | 179.7° | 179.7° |
| C23 | C24 | C25 | H3 | 179.7° | 179.7° |
| C25 | C26 | C22 | H4 | 180.0° | 180.0° |
| C25 | C26 | C22 | N6 | 0.5° | 0.5° |
| C25 | C26 | C22 | C21 | 178.8° | 178.8° |
| C26 | C25 | C24 | H2 | 179.7° | 179.7° |
| C23 | N6 | C22 | C26 | 0.9° | 0.9° |
| C23 | N6 | C22 | CU1 | 179.0° | 179.0° |
| C23 | N6 | CU1 | O3 | 60.2° | 60.2° |
| C23 | N6 | C22 | C21 | 179.2° | 179.2° |
| C23 | N6 | CU1 | N5 | 23.6° | 23.6° |
| C23 | N6 | CU1 | N4 | 167.3° | 167.3° |
| N6 | C23 | C24 | H2 | 179.9° | 179.9° |
| C26 | C22 | N6 | C21 | 178.2° | 178.2° |
| C26 | C22 | N6 | CU1 | 180.0° | 180.0° |
| C26 | C22 | C21 | C20 | 156.0° | 156.0° |
| C22 | C26 | C25 | H3 | 179.9° | 179.9° |
| C26 | C22 | C21 | H5 | 35.9° | 35.9° |
| C26 | C22 | C21 | H6 | 83.9° | 83.9° |
| C22 | N6 | CU1 | O3 | 120.8° | 120.8° |
| C22 | N6 | CU1 | N5 | 155.4° | 155.4° |
| C22 | N6 | CU1 | N4 | 13.7° | 13.7° |
| N6 | C22 | C21 | C20 | 25.8° | 25.8° |
| C22 | N6 | C23 | H1 | 179.3° | 179.3° |
| N6 | C22 | C26 | H4 | 179.4° | 179.4° |
| N6 | C22 | C21 | H5 | 145.9° | 145.9° |
| N6 | C22 | C21 | H6 | 94.3° | 94.3° |
| N6 | CU1 | O3 | O4 | 50.6° | 50.6° |
| N6 | CU1 | O3 | N5 | 164.3° | 164.3° |
| N6 | CU1 | O3 | N4 | 100.7° | 100.7° |
| CU1 | N6 | C22 | C21 | 1.8° | 1.8° |
| N6 | CU1 | N5 | C16 | 37.1° | 37.1° |
| N6 | CU1 | N5 | N4 | 169.2° | 169.2° |
| N6 | CU1 | N5 | C15 | 142.5° | 142.5° |
| N6 | CU1 | N4 | C20 | 48.2° | 48.2° |
| N6 | CU1 | N4 | C12 | 65.2° | 65.2° |
| N6 | CU1 | N4 | C13 | 162.7° | 162.7° |
| CU1 | N6 | C23 | H1 | 0.3° | 0.3° |
| O4 | O3 | CU1 | N5 | 145.1° | 145.1° |
| O4 | O3 | CU1 | N4 | 50.2° | 50.2° |
| O3 | CU1 | N5 | C16 | 46.3° | 46.3° |
| O3 | CU1 | N5 | N4 | 107.4° | 107.4° |
| O3 | CU1 | N5 | C15 | 134.1° | 134.1° |
| O3 | CU1 | N4 | C20 | 139.0° | 139.0° |
| O3 | CU1 | N4 | C12 | 25.6° | 25.6° |
| O3 | CU1 | N4 | C13 | 106.5° | 106.5° |
| CU1 | O3 | O4 | H37 | 180.0° | 180.0° |
| C22 | C21 | C20 | H5 | 120.1° | 120.1° |
| C22 | C21 | C20 | H6 | 120.1° | 120.1° |
| C22 | C21 | C20 | N4 | 85.6° | 85.6° |
| C21 | C22 | C26 | H4 | 1.2° | 1.2° |
| C22 | C21 | H5 | H6 | 119.7° | 119.7° |
| C22 | C21 | C20 | H7 | 34.7° | 34.7° |
| C22 | C21 | C20 | H8 | 154.1° | 154.1° |
| C17 | C16 | N5 | H9 | 180.0° | 180.0° |
| C17 | C16 | N5 | CU1 | 180.0° | 180.0° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C17 | C16 | N5 | C15 | 0.4° | 0.4° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | N5 | CU1 | C15 | 179.6° | 179.6° |
| C16 | N5 | CU1 | N4 | 153.7° | 153.7° |
| N5 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | N5 | C15 | C19 | 0.9° | 0.9° |
| C16 | N5 | C15 | C14 | 179.3° | 179.3° |
| N5 | C16 | C17 | H10 | 180.0° | 180.0° |
| N5 | CU1 | N4 | C20 | 128.8° | 128.8° |
| CU1 | N5 | C15 | C19 | 179.5° | 179.5° |
| CU1 | N5 | C15 | C14 | 1.1° | 1.1° |
| N5 | CU1 | N4 | C12 | 117.8° | 117.8° |
| N5 | CU1 | N4 | C13 | 14.3° | 14.3° |
| CU1 | N5 | C16 | H9 | 0.1° | 0.1° |
| N4 | CU1 | N5 | C15 | 26.7° | 26.7° |
| CU1 | N4 | C20 | C21 | 90.6° | 90.6° |
| CU1 | N4 | C20 | C12 | 110.1° | 110.1° |
| CU1 | N4 | C20 | C13 | 128.9° | 128.9° |
| CU1 | N4 | C12 | C13 | 140.5° | 140.5° |
| CU1 | N4 | C12 | C11 | 171.4° | 171.4° |
| CU1 | N4 | C13 | C14 | 22.7° | 22.7° |
| CU1 | N4 | C20 | H7 | 29.7° | 29.7° |
| CU1 | N4 | C20 | H8 | 149.1° | 149.1° |
| CU1 | N4 | C13 | H15 | 142.8° | 142.8° |
| CU1 | N4 | C13 | H16 | 97.4° | 97.4° |
| CU1 | N4 | C12 | H17 | 68.3° | 68.3° |
| CU1 | N4 | C12 | H18 | 51.1° | 51.1° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C17 | C18 | C19 | C15 | 0.4° | 0.4° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | H12 | 179.6° | 179.6° |
| N5 | C15 | C19 | C18 | 0.9° | 0.9° |
| N5 | C15 | C19 | C14 | 178.4° | 178.4° |
| N5 | C15 | C14 | C13 | 50.5° | 50.5° |
| C15 | N5 | C16 | H9 | 179.5° | 179.5° |
| N5 | C15 | C19 | H12 | 179.1° | 179.1° |
| N5 | C15 | C14 | H13 | 172.0° | 171.9° |
| N5 | C15 | C14 | H14 | 70.9° | 70.9° |
| C21 | C20 | N4 | H7 | 120.3° | 120.3° |
| C21 | C20 | N4 | H8 | 120.3° | 120.3° |
| C21 | C20 | N4 | C12 | 19.5° | 19.5° |
| C21 | C20 | N4 | C13 | 140.4° | 140.4° |
| C20 | C21 | H5 | H6 | 119.7° | 119.7° |
| C21 | C20 | H7 | H8 | 119.1° | 119.1° |
| C18 | C19 | C15 | H12 | 180.0° | 180.0° |
| C18 | C19 | C15 | C14 | 179.3° | 179.3° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C20 | N4 | C12 | C13 | 120.6° | 120.6° |
| C20 | N4 | C12 | C11 | 89.7° | 89.7° |
| C20 | N4 | C13 | C14 | 83.3° | 83.3° |
| N4 | C20 | C21 | H5 | 154.3° | 154.3° |
| N4 | C20 | C21 | H6 | 34.5° | 34.5° |
| N4 | C20 | H7 | H8 | 119.2° | 119.2° |
| C20 | N4 | C13 | H15 | 36.9° | 36.9° |
| C20 | N4 | C13 | H16 | 156.6° | 156.6° |
| C20 | N4 | C12 | H17 | 30.6° | 30.6° |
| C20 | N4 | C12 | H18 | 150.0° | 150.0° |
| C19 | C15 | C14 | C13 | 127.8° | 127.8° |
| C15 | C19 | C18 | H11 | 179.6° | 179.6° |
| C19 | C15 | C14 | H13 | 6.4° | 6.4° |
| C19 | C15 | C14 | H14 | 110.7° | 110.7° |
| C15 | C14 | C13 | N4 | 61.4° | 61.4° |
| C15 | C14 | C13 | H13 | 121.4° | 121.4° |
| C15 | C14 | C13 | H14 | 121.4° | 121.4° |
| C14 | C15 | C19 | H12 | 0.7° | 0.7° |
| C15 | C14 | H13 | H14 | 115.4° | 115.4° |
| C15 | C14 | C13 | H15 | 178.5° | 178.5° |
| C15 | C14 | C13 | H16 | 58.7° | 58.7° |
| N4 | C12 | C11 | H17 | 120.3° | 120.3° |
| N4 | C12 | C11 | H18 | 120.3° | 120.3° |
| C12 | N4 | C13 | C14 | 154.3° | 154.3° |
| N4 | C12 | C11 | N3 | 174.8° | 174.8° |
| C12 | N4 | C20 | H7 | 139.8° | 139.8° |
| C12 | N4 | C20 | H8 | 100.8° | 100.8° |
| C12 | N4 | C13 | H15 | 85.5° | 85.5° |
| C12 | N4 | C13 | H16 | 34.2° | 34.2° |
| N4 | C12 | H17 | H18 | 119.0° | 119.0° |
| N4 | C12 | C11 | H19 | 54.7° | 54.7° |
| N4 | C12 | C11 | H20 | 65.1° | 65.1° |
| C13 | N4 | C12 | C11 | 30.9° | 30.9° |
| N4 | C13 | C14 | H15 | 120.1° | 120.1° |
| N4 | C13 | C14 | H16 | 120.1° | 120.1° |
| C13 | N4 | C20 | H7 | 99.3° | 99.3° |
| C13 | N4 | C20 | H8 | 20.2° | 20.2° |
| N4 | C13 | C14 | H13 | 177.2° | 177.2° |
| N4 | C13 | C14 | H14 | 60.0° | 60.0° |
| N4 | C13 | H15 | H16 | 119.6° | 119.6° |
| C13 | N4 | C12 | H17 | 151.2° | 151.2° |
| C13 | N4 | C12 | H18 | 89.4° | 89.4° |
| C12 | C11 | N3 | C10 | 87.6° | 87.6° |
| C12 | C11 | N3 | H19 | 120.1° | 120.1° |
| C12 | C11 | N3 | H20 | 120.1° | 120.1° |
| C11 | C12 | H17 | H18 | 119.0° | 119.0° |
| C12 | C11 | H19 | H20 | 119.7° | 119.7° |
| C12 | C11 | N3 | H21 | 92.4° | 92.4° |
| O2 | C10 | N3 | C9 | 175.5° | 175.5° |
| O2 | C10 | N3 | C11 | 22.4° | 22.4° |
| O2 | C10 | C9 | C8 | 45.5° | 45.5° |
| O2 | C10 | N3 | H21 | 157.6° | 157.6° |
| O2 | C10 | C9 | H22 | 74.6° | 74.6° |
| O2 | C10 | C9 | H23 | 165.5° | 165.5° |
| C13 | C14 | H13 | H14 | 115.5° | 115.5° |
| C14 | C13 | H15 | H16 | 119.6° | 119.6° |
| C10 | N3 | C11 | H21 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 139.0° | 139.0° |
| C10 | N3 | C11 | H19 | 152.3° | 152.3° |
| C10 | N3 | C11 | H20 | 32.5° | 32.5° |
| N3 | C10 | C9 | H22 | 101.0° | 101.0° |
| N3 | C10 | C9 | H23 | 18.9° | 18.9° |
| C9 | C10 | N3 | C11 | 162.1° | 162.1° |
| C10 | C9 | C8 | H22 | 120.1° | 120.1° |
| C10 | C9 | C8 | H23 | 120.1° | 120.1° |
| C10 | C9 | C8 | C7 | 63.9° | 63.9° |
| C9 | C10 | N3 | H21 | 17.9° | 17.9° |
| C10 | C9 | H22 | H23 | 119.8° | 119.8° |
| C10 | C9 | C8 | H24 | 56.2° | 56.2° |
| C10 | C9 | C8 | H25 | 176.0° | 176.0° |
| N3 | C11 | C12 | H17 | 64.9° | 64.9° |
| N3 | C11 | C12 | H18 | 54.5° | 54.5° |
| N3 | C11 | H19 | H20 | 119.7° | 119.7° |
| C9 | C8 | C7 | H24 | 120.1° | 120.1° |
| C9 | C8 | C7 | H25 | 120.1° | 120.1° |
| C9 | C8 | C7 | C6 | 177.6° | 177.6° |
| C8 | C9 | H22 | H23 | 119.8° | 119.8° |
| C9 | C8 | H24 | H25 | 119.6° | 119.6° |
| C9 | C8 | C7 | H26 | 57.6° | 57.6° |
| C9 | C8 | C7 | H27 | 62.3° | 62.3° |
| C8 | C7 | C6 | H26 | 120.0° | 120.0° |
| C8 | C7 | C6 | H27 | 120.1° | 120.1° |
| C8 | C7 | C6 | C5 | 177.1° | 177.1° |
| C7 | C8 | C9 | H22 | 176.0° | 176.0° |
| C7 | C8 | C9 | H23 | 56.2° | 56.2° |
| C7 | C8 | H24 | H25 | 119.6° | 119.6° |
| C8 | C7 | H26 | H27 | 119.8° | 119.8° |
| C8 | C7 | C6 | H28 | 57.1° | 57.1° |
| C8 | C7 | C6 | H29 | 62.8° | 62.8° |
| C7 | C6 | C5 | H28 | 120.1° | 120.1° |
| C7 | C6 | C5 | H29 | 120.1° | 120.1° |
| C7 | C6 | C5 | C4 | 164.8° | 164.8° |
| C7 | C6 | C5 | S1 | 82.7° | 82.7° |
| C6 | C7 | C8 | H24 | 62.3° | 62.3° |
| C6 | C7 | C8 | H25 | 57.5° | 57.5° |
| C6 | C7 | H26 | H27 | 119.9° | 119.9° |
| C7 | C6 | H28 | H29 | 119.8° | 119.8° |
| C7 | C6 | C5 | H30 | 39.0° | 39.0° |
| C6 | C5 | C4 | S1 | 117.6° | 117.6° |
| C6 | C5 | C4 | H30 | 125.7° | 125.7° |
| C6 | C5 | S1 | H30 | 123.7° | 123.7° |
| C6 | C5 | C4 | N2 | 41.5° | 41.5° |
| C6 | C5 | C4 | C2 | 153.5° | 153.5° |
| C6 | C5 | S1 | C3 | 169.8° | 169.8° |
| C5 | C6 | C7 | H26 | 62.8° | 62.8° |
| C5 | C6 | C7 | H27 | 57.1° | 57.1° |
| C5 | C6 | H28 | H29 | 119.8° | 119.8° |
| C6 | C5 | C4 | H31 | 88.6° | 88.6° |
| C4 | C5 | S1 | H30 | 119.3° | 119.3° |
| C5 | C4 | N2 | C2 | 115.3° | 115.3° |
| C5 | C4 | N2 | H31 | 129.7° | 129.7° |
| C5 | C4 | C2 | H31 | 118.6° | 118.6° |
| C5 | C4 | N2 | C1 | 117.0° | 117.0° |
| C4 | C5 | S1 | C3 | 52.8° | 52.8° |
| C5 | C4 | C2 | C3 | 1.7° | 1.7° |
| C5 | C4 | C2 | N1 | 125.7° | 125.7° |
| C4 | C5 | C6 | H28 | 44.8° | 44.8° |
| C4 | C5 | C6 | H29 | 75.1° | 75.1° |
| C5 | C4 | N2 | H32 | 63.0° | 63.0° |
| C5 | C4 | C2 | H35 | 117.8° | 117.8° |
| S1 | C5 | C4 | N2 | 76.1° | 76.1° |
| S1 | C5 | C4 | C2 | 35.9° | 35.9° |
| C5 | S1 | C3 | C2 | 53.4° | 53.4° |
| S1 | C5 | C6 | H28 | 157.2° | 157.2° |
| S1 | C5 | C6 | H29 | 37.3° | 37.3° |
| S1 | C5 | C4 | H31 | 153.8° | 153.8° |
| C5 | S1 | C3 | H33 | 172.1° | 172.1° |
| C5 | S1 | C3 | H34 | 65.3° | 65.3° |
| N2 | C4 | C2 | H31 | 116.5° | 116.5° |
| C4 | N2 | C1 | H32 | 180.0° | 180.0° |
| C4 | N2 | C1 | O1 | 175.5° | 175.5° |
| C4 | N2 | C1 | N1 | 2.0° | 2.0° |
| N2 | C4 | C2 | C3 | 126.5° | 126.5° |
| N2 | C4 | C2 | N1 | 0.9° | 0.9° |
| N2 | C4 | C5 | H30 | 167.2° | 167.2° |
| N2 | C4 | C2 | H35 | 117.4° | 117.3° |
| C2 | C4 | N2 | C1 | 1.7° | 1.7° |
| C4 | C2 | C3 | S1 | 38.7° | 38.7° |
| C4 | C2 | N1 | C1 | 0.1° | 0.1° |
| C4 | C2 | C3 | N1 | 118.2° | 118.2° |
| C4 | C2 | C3 | H35 | 115.5° | 115.5° |
| C4 | C2 | N1 | H35 | 115.0° | 115.0° |
| C2 | C4 | C5 | H30 | 80.7° | 80.7° |
| C2 | C4 | N2 | H32 | 178.3° | 178.3° |
| C4 | C2 | C3 | H33 | 157.5° | 157.5° |
| C4 | C2 | C3 | H34 | 80.1° | 80.1° |
| C4 | C2 | N1 | H36 | 179.9° | 179.9° |
| N2 | C1 | O1 | N1 | 172.9° | 172.9° |
| N2 | C1 | N1 | C2 | 1.3° | 1.3° |
| C1 | N2 | C4 | H31 | 113.4° | 113.4° |
| N2 | C1 | N1 | H36 | 178.7° | 178.7° |
| S1 | C3 | C2 | H33 | 118.8° | 118.8° |
| S1 | C3 | C2 | H34 | 118.8° | 118.8° |
| S1 | C3 | C2 | N1 | 79.5° | 79.5° |
| C3 | S1 | C5 | H30 | 66.5° | 66.5° |
| S1 | C3 | H33 | H34 | 123.6° | 123.6° |
| S1 | C3 | C2 | H35 | 154.2° | 154.2° |
| O1 | C1 | N1 | C2 | 174.7° | 174.7° |
| O1 | C1 | N2 | H32 | 4.5° | 4.5° |
| O1 | C1 | N1 | H36 | 5.3° | 5.3° |
| C1 | N1 | C2 | C3 | 119.3° | 119.3° |
| C1 | N1 | C2 | H36 | 180.0° | 180.0° |
| N1 | C1 | N2 | H32 | 178.0° | 178.0° |
| C1 | N1 | C2 | H35 | 114.9° | 114.9° |
| C3 | C2 | N1 | H35 | 125.8° | 125.8° |
| C3 | C2 | C4 | H31 | 116.9° | 116.9° |
| C2 | C3 | H33 | H34 | 123.6° | 123.6° |
| C3 | C2 | N1 | H36 | 60.7° | 60.7° |
| N1 | C2 | C4 | H31 | 115.6° | 115.6° |
| N1 | C2 | C3 | H33 | 39.3° | 39.3° |
| N1 | C2 | C3 | H34 | 161.7° | 161.7° |
| H1 | C23 | C24 | H2 | 0.1° | 0.1° |
| H2 | C24 | C25 | H3 | 0.3° | 0.3° |
| H3 | C25 | C26 | H4 | 0.1° | 0.1° |
| H5 | C21 | C20 | H7 | 85.4° | 85.4° |
| H5 | C21 | C20 | H8 | 34.0° | 34.0° |
| H6 | C21 | C20 | H7 | 154.8° | 154.8° |
| H6 | C21 | C20 | H8 | 85.8° | 85.8° |
| H9 | C16 | C17 | H10 | 0.0° | 0.0° |
| H10 | C17 | C18 | H11 | 0.0° | 0.0° |
| H11 | C18 | C19 | H12 | 0.4° | 0.4° |
| H13 | C14 | C13 | H15 | 57.0° | 57.1° |
| H13 | C14 | C13 | H16 | 62.7° | 62.7° |
| H14 | C14 | C13 | H15 | 60.1° | 60.1° |
| H14 | C14 | C13 | H16 | 179.8° | 179.8° |
| H17 | C12 | C11 | H19 | 175.0° | 175.0° |
| H17 | C12 | C11 | H20 | 55.2° | 55.2° |
| H18 | C12 | C11 | H19 | 65.6° | 65.6° |
| H18 | C12 | C11 | H20 | 174.6° | 174.6° |
| H19 | C11 | N3 | H21 | 27.7° | 27.7° |
| H20 | C11 | N3 | H21 | 147.5° | 147.5° |
| H22 | C9 | C8 | H24 | 63.8° | 63.8° |
| H22 | C9 | C8 | H25 | 55.9° | 55.9° |
| H23 | C9 | C8 | H24 | 176.3° | 176.3° |
| H23 | C9 | C8 | H25 | 64.0° | 64.0° |
| H24 | C8 | C7 | H26 | 177.7° | 177.7° |
| H24 | C8 | C7 | H27 | 57.8° | 57.8° |
| H25 | C8 | C7 | H26 | 62.6° | 62.6° |
| H25 | C8 | C7 | H27 | 177.5° | 177.5° |
| H26 | C7 | C6 | H28 | 177.1° | 177.1° |
| H26 | C7 | C6 | H29 | 57.3° | 57.3° |
| H27 | C7 | C6 | H28 | 63.0° | 63.0° |
| H27 | C7 | C6 | H29 | 177.2° | 177.2° |
| H28 | C6 | C5 | H30 | 81.1° | 81.1° |
| H29 | C6 | C5 | H30 | 159.0° | 159.0° |
| H30 | C5 | C4 | H31 | 37.1° | 37.1° |
| H31 | C4 | N2 | H32 | 66.7° | 66.7° |
| H31 | C4 | C2 | H35 | 0.9° | 0.8° |
| H33 | C3 | C2 | H35 | 87.1° | 87.1° |
| H34 | C3 | C2 | H35 | 35.4° | 35.4° |
| H35 | C2 | N1 | H36 | 65.1° | 65.1° |
