SI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | N3 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.46Å | Aromatic |
| C18 | C17 | sing | 1.50Å | 1.57Å | |
| C26 | N3 | sing | 1.50Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.37Å | 1.44Å | Aromatic |
| C17 | N4 | doub | 1.35Å | 1.38Å | Aromatic |
| N3 | C11 | sing | 1.52Å | 1.52Å | |
| N3 | CU | sing | 2.00Å | 2.24Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.51Å | 1.57Å | |
| C14 | C13 | doub | 1.37Å | 1.44Å | Aromatic |
| N4 | C13 | sing | 1.34Å | 1.42Å | Aromatic |
| N4 | CU | sing | 1.99Å | 2.20Å | |
| C27 | C12 | sing | 1.53Å | 1.53Å | |
| C27 | N6 | sing | 1.46Å | 1.53Å | |
| O2 | C1 | doub | 1.24Å | 1.26Å | |
| C24 | C23 | doub | 1.40Å | 1.32Å | Aromatic |
| C24 | N5 | sing | 1.35Å | 1.39Å | Aromatic |
| CU | N5 | sing | 1.97Å | 2.05Å | |
| C1 | N6 | sing | 1.35Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C23 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| N5 | C20 | doub | 1.34Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.54Å | 1.56Å | |
| C22 | C21 | doub | 1.37Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.37Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C10 | sing | 1.57Å | 1.55Å | |
| C6 | S1 | sing | 1.82Å | 1.80Å | |
| N2 | C10 | sing | 1.45Å | 1.47Å | |
| N2 | C9 | sing | 1.35Å | 1.32Å | |
| C10 | C8 | sing | 1.55Å | 1.56Å | |
| S1 | C7 | sing | 1.79Å | 1.84Å | |
| C9 | O3 | doub | 1.24Å | 1.26Å | |
| C9 | N1 | sing | 1.34Å | 1.32Å | |
| C8 | N1 | sing | 1.45Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.86Å | 1.00Å | |
| N2 | H2 | sing | 0.86Å | 1.00Å | |
| C10 | H3 | sing | 0.99Å | 1.10Å | |
| C8 | H4 | sing | 0.99Å | 1.10Å | |
| C7 | H5 | sing | 0.99Å | 1.10Å | |
| C7 | H6 | sing | 0.99Å | 1.10Å | |
| C6 | H7 | sing | 1.00Å | 1.10Å | |
| C5 | H8 | sing | 0.98Å | 1.10Å | |
| C5 | H9 | sing | 0.98Å | 1.10Å | |
| C4 | H10 | sing | 0.98Å | 1.10Å | |
| C4 | H11 | sing | 0.98Å | 1.10Å | |
| C3 | H12 | sing | 0.98Å | 1.10Å | |
| C3 | H13 | sing | 0.98Å | 1.10Å | |
| C2 | H14 | sing | 0.98Å | 1.10Å | |
| C2 | H15 | sing | 0.98Å | 1.10Å | |
| N6 | H16 | sing | 0.88Å | 1.00Å | |
| C27 | H17 | sing | 0.98Å | 1.10Å | |
| C12 | H18 | sing | 0.98Å | 1.10Å | |
| C11 | H19 | sing | 0.98Å | 1.10Å | |
| C11 | H20 | sing | 0.98Å | 1.10Å | |
| C26 | H21 | sing | 0.98Å | 1.10Å | |
| C26 | H22 | sing | 0.98Å | 1.10Å | |
| C25 | H23 | sing | 0.98Å | 1.10Å | |
| C25 | H24 | sing | 0.98Å | 1.10Å | |
| C23 | H25 | sing | 0.93Å | 1.08Å | |
| C22 | H26 | sing | 0.94Å | 1.08Å | |
| C21 | H27 | sing | 0.94Å | 1.08Å | |
| C20 | H28 | sing | 0.94Å | 1.08Å | |
| C19 | H29 | sing | 0.98Å | 1.10Å | |
| C19 | H30 | sing | 0.98Å | 1.10Å | |
| C18 | H31 | sing | 0.98Å | 1.10Å | |
| C18 | H32 | sing | 0.98Å | 1.10Å | |
| C16 | H33 | sing | 0.93Å | 1.08Å | |
| C15 | H34 | sing | 0.94Å | 1.08Å | |
| C14 | H35 | sing | 0.94Å | 1.08Å | |
| C13 | H36 | sing | 0.94Å | 1.08Å | |
| C27 | H37 | sing | 0.98Å | 1.10Å | |
| C12 | H38 | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N3 | 117.4° | 116.1° |
| C19 | C18 | C17 | 123.0° | 111.2° |
| C18 | C19 | H29 | 107.5° | 107.8° |
| C18 | C19 | H30 | 107.4° | 107.7° |
| C19 | C18 | H31 | 106.0° | 109.6° |
| C19 | C18 | H32 | 106.0° | 109.6° |
| C19 | N3 | C26 | 92.3° | 111.3° |
| C19 | N3 | C11 | 108.2° | 113.6° |
| C19 | N3 | CU | 114.4° | 107.2° |
| N3 | C19 | H29 | 107.5° | 109.3° |
| N3 | C19 | H30 | 107.5° | 109.2° |
| C15 | C16 | C17 | 123.6° | 119.4° |
| C16 | C15 | C14 | 119.4° | 119.1° |
| C15 | C16 | H33 | 118.2° | 120.5° |
| C16 | C15 | H34 | 120.3° | 120.5° |
| C16 | C17 | C18 | 123.3° | 122.2° |
| C16 | C17 | N4 | 117.5° | 121.5° |
| C17 | C16 | H33 | 118.2° | 120.1° |
| C18 | C17 | N4 | 119.1° | 116.2° |
| C17 | C18 | H31 | 106.0° | 109.5° |
| C17 | C18 | H32 | 106.0° | 109.1° |
| N3 | C26 | C25 | 113.1° | 122.6° |
| C26 | N3 | C11 | 108.3° | 118.9° |
| C26 | N3 | CU | 119.2° | 96.4° |
| N3 | C26 | H21 | 108.5° | 106.8° |
| N3 | C26 | H22 | 108.6° | 107.2° |
| C26 | C25 | C24 | 115.6° | 113.3° |
| C25 | C26 | H21 | 108.6° | 106.6° |
| C25 | C26 | H22 | 108.5° | 106.1° |
| C26 | C25 | H23 | 107.9° | 109.8° |
| C26 | C25 | H24 | 107.9° | 108.8° |
| C15 | C14 | C13 | 114.1° | 118.6° |
| C14 | C15 | H34 | 120.3° | 120.5° |
| C15 | C14 | H35 | 122.9° | 120.8° |
| C17 | N4 | C13 | 118.5° | 117.7° |
| C17 | N4 | CU | 117.6° | 112.9° |
| C11 | N3 | CU | 112.5° | 107.4° |
| N3 | C11 | C12 | 124.0° | 118.5° |
| N3 | C11 | H19 | 105.7° | 109.1° |
| N3 | C11 | H20 | 105.8° | 107.6° |
| N3 | CU | N4 | 93.5° | 103.6° |
| N3 | CU | N5 | 91.6° | 109.9° |
| C11 | C12 | C27 | 117.6° | 117.5° |
| C11 | C12 | H18 | 107.4° | 108.1° |
| C12 | C11 | H19 | 105.7° | 107.4° |
| C12 | C11 | H20 | 105.7° | 107.5° |
| C11 | C12 | H38 | 107.4° | 108.6° |
| C25 | C24 | C23 | 117.0° | 121.6° |
| C25 | C24 | N5 | 131.8° | 117.5° |
| C24 | C25 | H23 | 107.9° | 108.7° |
| C24 | C25 | H24 | 107.9° | 109.0° |
| C14 | C13 | N4 | 126.8° | 123.7° |
| C13 | C14 | H35 | 123.0° | 120.6° |
| C14 | C13 | H36 | 116.6° | 118.2° |
| C13 | N4 | CU | 123.9° | 128.0° |
| N4 | C13 | H36 | 116.6° | 118.1° |
| N4 | CU | N5 | 96.4° | 109.0° |
| C12 | C27 | N6 | 124.9° | 111.2° |
| C12 | C27 | H17 | 105.5° | 109.6° |
| C27 | C12 | H18 | 107.4° | 108.1° |
| C12 | C27 | H37 | 105.5° | 109.6° |
| C27 | C12 | H38 | 107.4° | 108.2° |
| C27 | N6 | C1 | 114.6° | 127.9° |
| C27 | N6 | H16 | 122.7° | 113.8° |
| N6 | C27 | H17 | 105.5° | 109.0° |
| N6 | C27 | H37 | 105.5° | 109.3° |
| O2 | C1 | N6 | 120.7° | 121.9° |
| O2 | C1 | C2 | 120.0° | 120.3° |
| C23 | C24 | N5 | 111.2° | 121.0° |
| C24 | C23 | C22 | 120.0° | 119.5° |
| C24 | C23 | H25 | 120.0° | 120.1° |
| C24 | N5 | CU | 123.8° | 115.8° |
| C24 | N5 | C20 | 131.3° | 118.3° |
| CU | N5 | C20 | 105.0° | 116.2° |
| N6 | C1 | C2 | 117.4° | 117.8° |
| C1 | N6 | H16 | 122.7° | 118.3° |
| C1 | C2 | C3 | 114.2° | 113.1° |
| C1 | C2 | H14 | 108.3° | 109.3° |
| C1 | C2 | H15 | 108.3° | 108.7° |
| C23 | C22 | C21 | 127.4° | 119.2° |
| C22 | C23 | H25 | 120.0° | 120.4° |
| C23 | C22 | H26 | 116.3° | 120.4° |
| N5 | C20 | C21 | 118.2° | 123.6° |
| N5 | C20 | H28 | 120.9° | 117.9° |
| C2 | C3 | C4 | 104.1° | 116.5° |
| C2 | C3 | H12 | 110.8° | 108.4° |
| C2 | C3 | H13 | 110.8° | 108.3° |
| C3 | C2 | H14 | 108.3° | 109.3° |
| C3 | C2 | H15 | 108.3° | 108.7° |
| C3 | C4 | C5 | 110.8° | 115.0° |
| C3 | C4 | H10 | 109.1° | 108.4° |
| C3 | C4 | H11 | 109.2° | 108.3° |
| C4 | C3 | H12 | 110.8° | 108.0° |
| C4 | C3 | H13 | 110.8° | 108.4° |
| C22 | C21 | C20 | 111.8° | 118.5° |
| C21 | C22 | H26 | 116.3° | 120.4° |
| C22 | C21 | H27 | 124.1° | 120.8° |
| C20 | C21 | H27 | 124.1° | 120.7° |
| C21 | C20 | H28 | 120.9° | 118.4° |
| C4 | C5 | C6 | 117.5° | 116.2° |
| C4 | C5 | H8 | 107.4° | 108.3° |
| C4 | C5 | H9 | 107.4° | 108.3° |
| C5 | C4 | H10 | 109.1° | 108.9° |
| C5 | C4 | H11 | 109.1° | 108.8° |
| C5 | C6 | C10 | 115.5° | 119.0° |
| C5 | C6 | S1 | 120.7° | 112.1° |
| C5 | C6 | H7 | 105.0° | 107.6° |
| C6 | C5 | H8 | 107.4° | 108.2° |
| C6 | C5 | H9 | 107.4° | 108.3° |
| C10 | C6 | S1 | 106.2° | 102.2° |
| C6 | C10 | N2 | 109.0° | 116.5° |
| C6 | C10 | C8 | 108.2° | 108.0° |
| C6 | C10 | H3 | 111.1° | 110.2° |
| C10 | C6 | H7 | 104.7° | 107.5° |
| C6 | S1 | C7 | 89.2° | 90.5° |
| S1 | C6 | H7 | 102.7° | 107.8° |
| C10 | N2 | C9 | 108.0° | 113.6° |
| N2 | C10 | C8 | 105.0° | 101.9° |
| C10 | N2 | H2 | 126.0° | 124.9° |
| N2 | C10 | H3 | 112.3° | 109.6° |
| N2 | C9 | O3 | 123.6° | 126.1° |
| N2 | C9 | N1 | 112.4° | 107.9° |
| C9 | N2 | H2 | 126.0° | 121.5° |
| C10 | C8 | N1 | 99.7° | 102.5° |
| C10 | C8 | C7 | 109.6° | 109.4° |
| C8 | C10 | H3 | 110.9° | 110.3° |
| C10 | C8 | H4 | 113.0° | 110.8° |
| S1 | C7 | C8 | 106.1° | 107.0° |
| S1 | C7 | H5 | 110.3° | 110.3° |
| S1 | C7 | H6 | 110.3° | 110.4° |
| O3 | C9 | N1 | 122.8° | 126.0° |
| C9 | N1 | C8 | 112.9° | 113.2° |
| C9 | N1 | H1 | 123.5° | 122.3° |
| N1 | C8 | C7 | 104.9° | 113.1° |
| C8 | N1 | H1 | 123.5° | 124.6° |
| N1 | C8 | H4 | 115.0° | 110.2° |
| C7 | C8 | H4 | 113.5° | 110.6° |
| C8 | C7 | H5 | 110.3° | 110.3° |
| C8 | C7 | H6 | 110.3° | 110.4° |
| H5 | C7 | H6 | 109.5° | 108.4° |
| H8 | C5 | H9 | 109.5° | 107.3° |
| H10 | C4 | H11 | 109.4° | 107.2° |
| H12 | C3 | H13 | 109.5° | 107.0° |
| H14 | C2 | H15 | 109.5° | 107.5° |
| H17 | C27 | H37 | 109.5° | 108.0° |
| H18 | C12 | H38 | 109.5° | 105.7° |
| H19 | C11 | H20 | 109.5° | 106.1° |
| H21 | C26 | H22 | 109.5° | 106.4° |
| H23 | C25 | H24 | 109.5° | 107.1° |
| H29 | C19 | H30 | 109.5° | 106.4° |
| H31 | C18 | H32 | 109.5° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N3 | H29 | 121.1° | 122.2° |
| C18 | C19 | N3 | H30 | 121.1° | 121.9° |
| C19 | C18 | C17 | C16 | 125.8° | 106.1° |
| C19 | C18 | C17 | H31 | 121.9° | 121.2° |
| C19 | C18 | C17 | H32 | 121.9° | 121.0° |
| C18 | C19 | N3 | C26 | 118.7° | 118.6° |
| C19 | C18 | C17 | N4 | 57.5° | 72.9° |
| C18 | C19 | N3 | C11 | 131.2° | 104.0° |
| C18 | C19 | N3 | CU | 4.9° | 14.4° |
| C18 | C19 | H29 | H30 | 116.4° | 115.3° |
| C19 | C18 | H31 | H32 | 113.9° | 119.2° |
| N3 | C19 | C18 | C17 | 51.4° | 73.8° |
| C19 | N3 | C26 | C11 | 110.0° | 134.8° |
| C19 | N3 | C26 | CU | 119.7° | 111.2° |
| C19 | N3 | C26 | C25 | 176.6° | 171.7° |
| C19 | N3 | C11 | CU | 127.4° | 118.3° |
| C19 | N3 | C11 | C12 | 124.9° | 136.8° |
| C19 | N3 | CU | N4 | 38.4° | 31.4° |
| C19 | N3 | CU | N5 | 134.9° | 147.7° |
| C19 | N3 | C11 | H19 | 113.2° | 13.5° |
| C19 | N3 | C11 | H20 | 2.9° | 101.2° |
| C19 | N3 | C26 | H21 | 56.1° | 65.0° |
| C19 | N3 | C26 | H22 | 62.9° | 48.7° |
| N3 | C19 | H29 | H30 | 116.4° | 117.7° |
| N3 | C19 | C18 | H31 | 70.4° | 165.0° |
| N3 | C19 | C18 | H32 | 173.3° | 46.8° |
| C15 | C16 | C17 | H33 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 179.2° | 179.8° |
| C16 | C15 | C14 | H34 | 180.0° | 180.0° |
| C15 | C16 | C17 | N4 | 2.4° | 0.8° |
| C16 | C15 | C14 | C13 | 1.2° | 0.1° |
| C16 | C15 | C14 | H35 | 178.7° | 180.0° |
| C16 | C17 | C18 | N4 | 176.7° | 179.0° |
| C17 | C16 | C15 | C14 | 2.5° | 0.3° |
| C16 | C17 | N4 | C13 | 1.2° | 1.2° |
| C16 | C17 | N4 | CU | 179.0° | 166.4° |
| C16 | C17 | C18 | H31 | 112.4° | 15.2° |
| C16 | C17 | C18 | H32 | 3.9° | 133.0° |
| C17 | C16 | C15 | H34 | 177.5° | 179.7° |
| C18 | C17 | N4 | C13 | 178.2° | 179.8° |
| C18 | C17 | N4 | CU | 2.1° | 12.6° |
| C17 | C18 | C19 | H29 | 69.7° | 163.3° |
| C17 | C18 | C19 | H30 | 172.6° | 48.8° |
| C17 | C18 | H31 | H32 | 113.9° | 118.6° |
| C18 | C17 | C16 | H33 | 0.8° | 0.6° |
| N3 | C26 | C25 | H21 | 120.5° | 123.4° |
| N3 | C26 | C25 | H22 | 120.6° | 123.5° |
| C26 | N3 | C11 | CU | 133.9° | 107.8° |
| C26 | N3 | C11 | C12 | 136.4° | 89.4° |
| N3 | C26 | C25 | C24 | 55.5° | 77.9° |
| C26 | N3 | CU | N4 | 69.3° | 83.3° |
| C26 | N3 | CU | N5 | 27.3° | 33.1° |
| C26 | N3 | C11 | H19 | 14.4° | 147.4° |
| C26 | N3 | C11 | H20 | 101.7° | 32.6° |
| N3 | C26 | H21 | H22 | 118.4° | 114.3° |
| N3 | C26 | C25 | H23 | 176.4° | 43.9° |
| N3 | C26 | C25 | H24 | 65.3° | 160.8° |
| C26 | N3 | C19 | H29 | 2.4° | 119.2° |
| C26 | N3 | C19 | H30 | 120.2° | 3.2° |
| C25 | C26 | N3 | C11 | 73.4° | 53.5° |
| C25 | C26 | N3 | CU | 56.9° | 60.4° |
| C26 | C25 | C24 | H23 | 120.9° | 122.3° |
| C26 | C25 | C24 | H24 | 120.9° | 121.2° |
| C26 | C25 | C24 | C23 | 152.1° | 123.1° |
| C26 | C25 | C24 | N5 | 28.0° | 56.7° |
| C25 | C26 | H21 | H22 | 118.3° | 113.0° |
| C26 | C25 | H23 | H24 | 117.2° | 117.9° |
| C15 | C14 | C13 | H35 | 180.0° | 179.9° |
| C15 | C14 | C13 | N4 | 0.2° | 0.6° |
| C14 | C15 | C16 | H33 | 177.6° | 179.9° |
| C15 | C14 | C13 | H36 | 179.8° | 179.9° |
| C17 | N4 | CU | N3 | 35.4° | 34.4° |
| C17 | N4 | C13 | C14 | 0.2° | 1.1° |
| C17 | N4 | C13 | CU | 179.7° | 165.5° |
| C17 | N4 | CU | N5 | 127.5° | 151.3° |
| N4 | C17 | C18 | H31 | 64.3° | 165.8° |
| N4 | C17 | C18 | H32 | 179.4° | 48.0° |
| N4 | C17 | C16 | H33 | 177.6° | 179.5° |
| C17 | N4 | C13 | H36 | 179.8° | 179.6° |
| N3 | C11 | C12 | H19 | 122.0° | 124.1° |
| N3 | C11 | C12 | H20 | 122.0° | 122.1° |
| C11 | N3 | CU | N4 | 162.4° | 153.8° |
| N3 | C11 | C12 | C27 | 121.4° | 91.0° |
| C11 | N3 | CU | N5 | 101.1° | 89.9° |
| N3 | C11 | C12 | H18 | 0.2° | 146.5° |
| N3 | C11 | H19 | H20 | 113.5° | 115.7° |
| C11 | N3 | C26 | H21 | 166.1° | 69.8° |
| C11 | N3 | C26 | H22 | 47.1° | 176.5° |
| C11 | N3 | C19 | H29 | 107.7° | 18.1° |
| C11 | N3 | C19 | H30 | 10.1° | 134.1° |
| N3 | C11 | C12 | H38 | 117.5° | 32.2° |
| CU | N3 | C11 | C12 | 2.5° | 18.4° |
| N3 | CU | N4 | C13 | 144.3° | 131.7° |
| N3 | CU | N4 | N5 | 92.0° | 116.9° |
| N3 | CU | N5 | C24 | 0.1° | 28.2° |
| N3 | CU | N5 | C20 | 179.5° | 173.6° |
| CU | N3 | C11 | H19 | 119.5° | 104.8° |
| CU | N3 | C11 | H20 | 124.5° | 140.5° |
| CU | N3 | C26 | H21 | 63.6° | 176.3° |
| CU | N3 | C26 | H22 | 177.4° | 62.5° |
| CU | N3 | C19 | H29 | 126.0° | 136.6° |
| CU | N3 | C19 | H30 | 116.2° | 107.4° |
| C11 | C12 | C27 | H18 | 121.2° | 122.6° |
| C11 | C12 | C27 | H38 | 121.1° | 123.4° |
| C11 | C12 | C27 | N6 | 163.4° | 172.8° |
| C11 | C12 | C27 | H17 | 41.3° | 52.2° |
| C11 | C12 | H18 | H38 | 116.3° | 116.2° |
| C12 | C11 | H19 | H20 | 113.5° | 114.7° |
| C11 | C12 | C27 | H37 | 74.5° | 66.1° |
| C25 | C24 | C23 | N5 | 179.9° | 179.9° |
| C25 | C24 | N5 | CU | 0.5° | 38.0° |
| C25 | C24 | C23 | C22 | 179.7° | 179.5° |
| C25 | C24 | N5 | C20 | 178.7° | 177.4° |
| C24 | C25 | C26 | H21 | 65.0° | 158.7° |
| C24 | C25 | C26 | H22 | 176.1° | 45.6° |
| C24 | C25 | H23 | H24 | 117.2° | 117.6° |
| C25 | C24 | C23 | H25 | 0.4° | 0.9° |
| C14 | C13 | N4 | H36 | 180.0° | 179.3° |
| C14 | C13 | N4 | CU | 179.9° | 164.4° |
| C13 | C14 | C15 | H34 | 178.8° | 179.9° |
| C13 | N4 | CU | N5 | 52.3° | 14.7° |
| N4 | C13 | C14 | H35 | 179.8° | 179.5° |
| N4 | CU | N5 | C24 | 93.8° | 84.7° |
| N4 | CU | N5 | C20 | 86.8° | 60.7° |
| CU | N4 | C13 | H36 | 0.1° | 14.9° |
| C12 | C27 | N6 | H17 | 122.1° | 121.0° |
| C12 | C27 | N6 | H37 | 122.1° | 121.2° |
| C12 | C27 | N6 | C1 | 95.6° | 87.4° |
| C12 | C27 | N6 | H16 | 84.4° | 92.7° |
| C12 | C27 | H17 | H37 | 113.1° | 119.3° |
| C27 | C12 | H18 | H38 | 116.3° | 115.7° |
| C27 | C12 | C11 | H19 | 116.7° | 33.2° |
| C27 | C12 | C11 | H20 | 0.6° | 147.0° |
| C27 | N6 | C1 | O2 | 32.7° | 4.6° |
| C27 | N6 | C1 | H16 | 180.0° | 179.9° |
| C27 | N6 | C1 | C2 | 162.9° | 173.5° |
| N6 | C27 | H17 | H37 | 113.1° | 118.7° |
| N6 | C27 | C12 | H18 | 75.4° | 64.6° |
| N6 | C27 | C12 | H38 | 42.3° | 49.5° |
| O2 | C1 | N6 | C2 | 164.3° | 178.1° |
| O2 | C1 | C2 | C3 | 22.3° | 86.7° |
| O2 | C1 | C2 | H14 | 98.4° | 151.3° |
| O2 | C1 | C2 | H15 | 143.0° | 34.2° |
| O2 | C1 | N6 | H16 | 147.3° | 175.2° |
| C23 | C24 | N5 | CU | 179.6° | 141.9° |
| C24 | C23 | C22 | H25 | 180.0° | 179.6° |
| C23 | C24 | N5 | C20 | 1.2° | 2.7° |
| C24 | C23 | C22 | C21 | 1.4° | 0.5° |
| C23 | C24 | C25 | H23 | 31.2° | 114.5° |
| C23 | C24 | C25 | H24 | 87.0° | 1.9° |
| C24 | C23 | C22 | H26 | 178.6° | 180.0° |
| C24 | N5 | CU | C20 | 179.4° | 145.4° |
| N5 | C24 | C23 | C22 | 0.3° | 0.6° |
| C24 | N5 | C20 | C21 | 3.1° | 3.9° |
| N5 | C24 | C25 | H23 | 148.9° | 65.6° |
| N5 | C24 | C25 | H24 | 92.9° | 178.0° |
| N5 | C24 | C23 | H25 | 179.7° | 179.0° |
| C24 | N5 | C20 | H28 | 176.9° | 179.6° |
| CU | N5 | C20 | C21 | 177.6° | 140.5° |
| CU | N5 | C20 | H28 | 2.4° | 35.2° |
| N6 | C1 | C2 | C3 | 142.2° | 91.5° |
| N6 | C1 | C2 | H14 | 97.1° | 30.6° |
| N6 | C1 | C2 | H15 | 21.5° | 147.7° |
| C1 | N6 | C27 | H17 | 26.4° | 151.6° |
| C1 | N6 | C27 | H37 | 142.3° | 33.7° |
| C1 | C2 | C3 | H14 | 120.7° | 122.1° |
| C1 | C2 | C3 | H15 | 120.7° | 120.9° |
| C1 | C2 | C3 | C4 | 81.5° | 75.7° |
| C1 | C2 | C3 | H12 | 37.6° | 162.3° |
| C1 | C2 | C3 | H13 | 159.4° | 46.6° |
| C1 | C2 | H14 | H15 | 117.8° | 117.9° |
| C2 | C1 | N6 | H16 | 17.0° | 6.7° |
| C23 | C22 | C21 | H26 | 180.0° | 179.5° |
| C23 | C22 | C21 | C20 | 3.0° | 0.6° |
| C23 | C22 | C21 | H27 | 177.0° | 179.8° |
| N5 | C20 | C21 | C22 | 3.4° | 2.9° |
| N5 | C20 | C21 | H28 | 180.0° | 175.7° |
| N5 | C20 | C21 | H27 | 176.6° | 177.9° |
| C2 | C3 | C4 | H12 | 119.2° | 122.2° |
| C2 | C3 | C4 | H13 | 119.2° | 122.3° |
| C2 | C3 | C4 | C5 | 174.5° | 172.0° |
| C2 | C3 | C4 | H10 | 65.3° | 49.9° |
| C2 | C3 | C4 | H11 | 54.3° | 66.1° |
| C2 | C3 | H12 | H13 | 122.5° | 116.5° |
| C3 | C2 | H14 | H15 | 117.8° | 117.8° |
| C3 | C4 | C5 | H10 | 120.2° | 121.8° |
| C3 | C4 | C5 | H11 | 120.2° | 121.7° |
| C3 | C4 | C5 | C6 | 175.8° | 174.6° |
| C3 | C4 | C5 | H8 | 63.1° | 63.4° |
| C3 | C4 | C5 | H9 | 54.6° | 52.5° |
| C3 | C4 | H10 | H11 | 119.4° | 116.7° |
| C4 | C3 | H12 | H13 | 122.4° | 116.5° |
| C4 | C3 | C2 | H14 | 157.8° | 46.4° |
| C4 | C3 | C2 | H15 | 39.2° | 163.4° |
| C22 | C21 | C20 | H27 | 180.0° | 179.2° |
| C21 | C22 | C23 | H25 | 178.6° | 179.9° |
| C22 | C21 | C20 | H28 | 176.5° | 178.6° |
| C20 | C21 | C22 | H26 | 177.0° | 178.9° |
| C4 | C5 | C6 | H8 | 121.2° | 122.0° |
| C4 | C5 | C6 | H9 | 121.1° | 122.0° |
| C4 | C5 | C6 | C10 | 171.9° | 163.6° |
| C4 | C5 | C6 | S1 | 58.0° | 77.2° |
| C4 | C5 | C6 | H7 | 57.1° | 41.1° |
| C4 | C5 | H8 | H9 | 116.4° | 116.6° |
| C5 | C4 | H10 | H11 | 119.3° | 117.5° |
| C5 | C4 | C3 | H12 | 55.3° | 65.8° |
| C5 | C4 | C3 | H13 | 66.3° | 49.8° |
| C5 | C6 | C10 | S1 | 136.8° | 124.1° |
| C5 | C6 | C10 | H7 | 115.0° | 122.6° |
| C5 | C6 | S1 | H7 | 116.3° | 118.3° |
| C5 | C6 | C10 | N2 | 54.8° | 48.6° |
| C5 | C6 | C10 | C8 | 168.6° | 162.4° |
| C5 | C6 | S1 | C7 | 175.4° | 172.9° |
| C5 | C6 | C10 | H3 | 69.4° | 77.1° |
| C6 | C5 | H8 | H9 | 116.3° | 116.6° |
| C6 | C5 | C4 | H10 | 55.6° | 52.7° |
| C6 | C5 | C4 | H11 | 64.0° | 63.8° |
| C10 | C6 | S1 | H7 | 109.7° | 113.1° |
| C6 | C10 | N2 | C8 | 115.8° | 117.3° |
| C6 | C10 | N2 | H3 | 123.6° | 125.9° |
| C6 | C10 | N2 | C9 | 119.8° | 124.9° |
| C6 | C10 | C8 | H3 | 122.1° | 120.4° |
| C10 | C6 | S1 | C7 | 41.3° | 44.3° |
| C6 | C10 | C8 | N1 | 112.4° | 132.2° |
| C6 | C10 | C8 | C7 | 2.7° | 11.9° |
| C6 | C10 | N2 | H2 | 60.2° | 56.0° |
| C6 | C10 | C8 | H4 | 125.0° | 110.3° |
| C10 | C6 | C5 | H8 | 50.8° | 74.4° |
| C10 | C6 | C5 | H9 | 66.9° | 41.6° |
| S1 | C6 | C10 | N2 | 82.0° | 75.6° |
| S1 | C6 | C10 | C8 | 31.8° | 38.3° |
| C6 | S1 | C7 | C8 | 39.7° | 38.7° |
| S1 | C6 | C10 | H3 | 153.8° | 158.8° |
| C6 | S1 | C7 | H5 | 159.2° | 81.3° |
| C6 | S1 | C7 | H6 | 79.7° | 158.9° |
| S1 | C6 | C5 | H8 | 179.1° | 44.8° |
| S1 | C6 | C5 | H9 | 63.2° | 160.7° |
| C10 | N2 | C9 | H2 | 180.0° | 179.1° |
| N2 | C10 | C8 | H3 | 121.6° | 116.4° |
| C10 | N2 | C9 | O3 | 179.3° | 177.0° |
| C10 | N2 | C9 | N1 | 11.5° | 2.8° |
| N2 | C10 | C8 | N1 | 3.9° | 9.0° |
| N2 | C10 | C8 | C7 | 113.6° | 111.3° |
| N2 | C10 | C8 | H4 | 118.7° | 126.5° |
| N2 | C10 | C6 | H7 | 169.8° | 171.1° |
| C9 | N2 | C10 | C8 | 4.0° | 7.6° |
| N2 | C9 | O3 | N1 | 166.5° | 179.7° |
| N2 | C9 | N1 | C8 | 15.1° | 4.0° |
| N2 | C9 | N1 | H1 | 164.9° | 176.0° |
| C9 | N2 | C10 | H3 | 116.7° | 109.2° |
| C10 | C8 | C7 | S1 | 26.8° | 20.7° |
| C10 | C8 | N1 | C9 | 11.0° | 8.4° |
| C10 | C8 | N1 | C7 | 113.4° | 117.7° |
| C10 | C8 | N1 | H4 | 121.1° | 118.0° |
| C10 | C8 | C7 | H4 | 127.3° | 122.3° |
| C10 | C8 | N1 | H1 | 169.0° | 171.6° |
| C8 | C10 | N2 | H2 | 176.0° | 173.3° |
| C10 | C8 | C7 | H5 | 146.2° | 99.4° |
| C10 | C8 | C7 | H6 | 92.7° | 140.9° |
| C8 | C10 | C6 | H7 | 76.5° | 75.0° |
| S1 | C7 | C8 | N1 | 79.5° | 92.9° |
| S1 | C7 | C8 | H5 | 119.5° | 120.0° |
| S1 | C7 | C8 | H6 | 119.5° | 120.2° |
| S1 | C7 | C8 | H4 | 154.1° | 143.0° |
| S1 | C7 | H5 | H6 | 121.6° | 121.0° |
| C7 | S1 | C6 | H7 | 68.3° | 68.8° |
| O3 | C9 | N1 | C8 | 177.0° | 176.2° |
| O3 | C9 | N1 | H1 | 3.0° | 3.8° |
| O3 | C9 | N2 | H2 | 0.7° | 2.2° |
| C9 | N1 | C8 | H1 | 180.0° | 180.0° |
| C9 | N1 | C8 | C7 | 124.4° | 109.3° |
| N1 | C9 | N2 | H2 | 168.4° | 178.1° |
| C9 | N1 | C8 | H4 | 110.1° | 126.4° |
| N1 | C8 | C7 | H4 | 126.4° | 124.1° |
| N1 | C8 | C10 | H3 | 125.4° | 107.4° |
| N1 | C8 | C7 | H5 | 39.9° | 147.0° |
| N1 | C8 | C7 | H6 | 161.0° | 27.3° |
| C7 | C8 | N1 | H1 | 55.5° | 70.7° |
| C7 | C8 | C10 | H3 | 124.8° | 132.3° |
| C8 | C7 | H5 | H6 | 121.5° | 121.0° |
| H1 | N1 | C8 | H4 | 69.9° | 53.6° |
| H2 | N2 | C10 | H3 | 63.4° | 69.9° |
| H3 | C10 | C8 | H4 | 2.9° | 10.1° |
| H3 | C10 | C6 | H7 | 45.5° | 45.4° |
| H4 | C8 | C7 | H5 | 86.5° | 23.0° |
| H4 | C8 | C7 | H6 | 34.6° | 96.8° |
| H7 | C6 | C5 | H8 | 64.1° | 163.1° |
| H7 | C6 | C5 | H9 | 178.3° | 80.9° |
| H8 | C5 | C4 | H10 | 176.7° | 174.7° |
| H8 | C5 | C4 | H11 | 57.2° | 58.2° |
| H9 | C5 | C4 | H10 | 65.6° | 69.3° |
| H9 | C5 | C4 | H11 | 174.9° | 174.2° |
| H10 | C4 | C3 | H12 | 175.6° | 172.1° |
| H10 | C4 | C3 | H13 | 53.9° | 72.4° |
| H11 | C4 | C3 | H12 | 64.8° | 56.1° |
| H11 | C4 | C3 | H13 | 173.5° | 171.7° |
| H12 | C3 | C2 | H14 | 83.1° | 75.6° |
| H12 | C3 | C2 | H15 | 158.3° | 41.4° |
| H13 | C3 | C2 | H14 | 38.7° | 168.7° |
| H13 | C3 | C2 | H15 | 79.9° | 74.2° |
| H16 | N6 | C27 | H17 | 153.5° | 28.3° |
| H16 | N6 | C27 | H37 | 37.7° | 146.2° |
| H17 | C27 | C12 | H18 | 162.5° | 174.8° |
| H17 | C27 | C12 | H38 | 79.8° | 71.1° |
| H18 | C12 | C11 | H19 | 122.1° | 89.4° |
| H18 | C12 | C11 | H20 | 121.8° | 24.4° |
| H18 | C12 | C27 | H37 | 46.7° | 56.5° |
| H19 | C11 | C12 | H38 | 4.5° | 156.3° |
| H20 | C11 | C12 | H38 | 120.5° | 89.9° |
| H21 | C26 | C25 | H23 | 55.9° | 79.5° |
| H21 | C26 | C25 | H24 | 174.1° | 37.4° |
| H22 | C26 | C25 | H23 | 63.0° | 167.4° |
| H22 | C26 | C25 | H24 | 55.2° | 75.7° |
| H25 | C23 | C22 | H26 | 1.4° | 0.4° |
| H26 | C22 | C21 | H27 | 3.0° | 0.3° |
| H27 | C21 | C20 | H28 | 3.5° | 2.2° |
| H29 | C19 | C18 | H31 | 168.4° | 42.1° |
| H29 | C19 | C18 | H32 | 52.1° | 76.1° |
| H30 | C19 | C18 | H31 | 50.7° | 72.4° |
| H30 | C19 | C18 | H32 | 65.6° | 169.5° |
| H33 | C16 | C15 | H34 | 2.5° | 0.1° |
| H34 | C15 | C14 | H35 | 1.3° | 0.0° |
| H35 | C14 | C13 | H36 | 0.2° | 0.2° |
| H37 | C27 | C12 | H38 | 164.4° | 170.5° |
