SI9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | N3 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C26 | N3 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.52Å | 1.57Å | |
| C11 | C12 | sing | 1.55Å | 1.56Å | |
| N3 | CU1 | sing | 2.01Å | 2.28Å | |
| C17 | N4 | sing | 1.35Å | 1.41Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C12 | C27 | sing | 1.53Å | 1.59Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| N4 | C13 | doub | 1.34Å | 1.40Å | Aromatic |
| N4 | CU1 | sing | 1.97Å | 2.12Å | |
| C14 | C13 | sing | 1.37Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | N5 | sing | 1.35Å | 1.40Å | Aromatic |
| O1 | C1 | doub | 1.24Å | 1.27Å | |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| CU1 | N5 | sing | 1.97Å | 2.10Å | |
| N5 | C20 | doub | 1.34Å | 1.32Å | Aromatic |
| C28 | N6 | sing | 1.46Å | 1.54Å | |
| C1 | N6 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C22 | C21 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.37Å | 1.29Å | Aromatic |
| C3 | C4 | sing | 1.54Å | 1.57Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C10 | sing | 1.57Å | 1.52Å | |
| C6 | S1 | sing | 1.82Å | 1.82Å | |
| N2 | C10 | sing | 1.45Å | 1.49Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| C10 | C8 | sing | 1.55Å | 1.60Å | |
| S1 | C7 | sing | 1.79Å | 1.82Å | |
| C9 | O3 | doub | 1.24Å | 1.28Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | N1 | sing | 1.45Å | 1.45Å | |
| 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 | |
| C28 | H17 | sing | 0.98Å | 1.10Å | |
| C28 | H18 | sing | 0.98Å | 1.10Å | |
| C27 | H19 | sing | 0.98Å | 1.10Å | |
| C27 | H20 | sing | 0.98Å | 1.10Å | |
| C12 | H21 | sing | 0.98Å | 1.10Å | |
| C12 | H22 | sing | 0.98Å | 1.10Å | |
| C11 | H23 | sing | 0.98Å | 1.10Å | |
| C11 | H24 | sing | 0.98Å | 1.10Å | |
| C26 | H25 | sing | 0.98Å | 1.10Å | |
| C26 | H26 | sing | 0.98Å | 1.10Å | |
| C25 | H27 | sing | 0.98Å | 1.10Å | |
| C25 | H28 | sing | 0.98Å | 1.10Å | |
| C23 | H29 | sing | 0.93Å | 1.08Å | |
| C22 | H30 | sing | 0.94Å | 1.08Å | |
| C21 | H31 | sing | 0.94Å | 1.08Å | |
| C20 | H32 | sing | 0.94Å | 1.08Å | |
| C19 | H33 | sing | 0.98Å | 1.10Å | |
| C19 | H34 | sing | 0.98Å | 1.10Å | |
| C18 | H35 | sing | 0.98Å | 1.10Å | |
| C18 | H36 | sing | 0.98Å | 1.10Å | |
| C16 | H37 | sing | 0.93Å | 1.08Å | |
| C15 | H38 | sing | 0.94Å | 1.08Å | |
| C14 | H39 | sing | 0.94Å | 1.08Å | |
| C13 | H40 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N3 | 111.9° | 117.7° |
| C19 | C18 | C17 | 107.6° | 111.8° |
| C18 | C19 | H33 | 108.9° | 107.3° |
| C18 | C19 | H34 | 108.9° | 107.3° |
| C19 | C18 | H35 | 109.9° | 109.4° |
| C19 | C18 | H36 | 109.9° | 109.5° |
| C19 | N3 | C26 | 100.2° | 114.7° |
| C19 | N3 | C11 | 102.7° | 111.5° |
| C19 | N3 | CU1 | 116.6° | 107.4° |
| N3 | C19 | H33 | 108.9° | 109.2° |
| N3 | C19 | H34 | 108.9° | 108.6° |
| C18 | C17 | C16 | 116.9° | 122.3° |
| C18 | C17 | N4 | 120.4° | 116.2° |
| C17 | C18 | H35 | 109.9° | 109.3° |
| C17 | C18 | H36 | 109.9° | 109.1° |
| N3 | C26 | C25 | 117.3° | 117.2° |
| C26 | N3 | C11 | 100.2° | 117.6° |
| C26 | N3 | CU1 | 118.8° | 106.9° |
| N3 | C26 | H25 | 107.5° | 109.2° |
| N3 | C26 | H26 | 107.5° | 108.4° |
| C26 | C25 | C24 | 112.7° | 111.7° |
| C25 | C26 | H25 | 107.5° | 107.1° |
| C25 | C26 | H26 | 107.5° | 107.7° |
| C26 | C25 | H27 | 108.6° | 109.4° |
| C26 | C25 | H28 | 108.7° | 109.5° |
| C17 | C16 | C15 | 116.2° | 119.3° |
| C16 | C17 | N4 | 122.6° | 121.4° |
| C17 | C16 | H37 | 121.9° | 120.1° |
| C16 | C15 | C14 | 119.3° | 119.2° |
| C15 | C16 | H37 | 121.9° | 120.6° |
| C16 | C15 | H38 | 120.3° | 120.3° |
| N3 | C11 | C12 | 114.4° | 122.3° |
| C11 | N3 | CU1 | 115.5° | 96.6° |
| N3 | C11 | H23 | 108.2° | 106.5° |
| N3 | C11 | H24 | 108.2° | 106.9° |
| C11 | C12 | C27 | 118.9° | 115.4° |
| C11 | C12 | H21 | 107.1° | 108.3° |
| C11 | C12 | H22 | 107.1° | 109.2° |
| C12 | C11 | H23 | 108.2° | 107.9° |
| C12 | C11 | H24 | 108.2° | 106.3° |
| N3 | CU1 | N4 | 87.4° | 101.7° |
| N3 | CU1 | N5 | 88.3° | 102.2° |
| C17 | N4 | C13 | 123.2° | 118.0° |
| C17 | N4 | CU1 | 117.8° | 114.0° |
| C15 | C14 | C13 | 126.5° | 118.5° |
| C14 | C15 | H38 | 120.3° | 120.5° |
| C15 | C14 | H39 | 116.7° | 120.8° |
| C25 | C24 | C23 | 116.0° | 122.3° |
| C25 | C24 | N5 | 125.0° | 116.3° |
| C24 | C25 | H27 | 108.7° | 109.4° |
| C24 | C25 | H28 | 108.7° | 109.0° |
| C12 | C27 | C28 | 102.9° | 116.1° |
| C12 | C27 | H19 | 111.1° | 108.9° |
| C12 | C27 | H20 | 111.1° | 108.3° |
| C27 | C12 | H21 | 107.1° | 108.2° |
| C27 | C12 | H22 | 107.1° | 108.9° |
| C27 | C28 | N6 | 104.3° | 112.8° |
| C27 | C28 | H17 | 110.7° | 109.0° |
| C27 | C28 | H18 | 110.8° | 109.3° |
| C28 | C27 | H19 | 111.1° | 108.0° |
| C28 | C27 | H20 | 111.1° | 108.4° |
| C13 | N4 | CU1 | 118.9° | 126.1° |
| N4 | C13 | C14 | 111.9° | 123.6° |
| N4 | C13 | H40 | 124.0° | 117.9° |
| N4 | CU1 | N5 | 105.4° | 120.0° |
| C13 | C14 | H39 | 116.8° | 120.7° |
| C14 | C13 | H40 | 124.0° | 118.5° |
| C23 | C24 | N5 | 119.0° | 121.4° |
| C24 | C23 | C22 | 112.2° | 119.4° |
| C24 | C23 | H29 | 123.9° | 120.1° |
| C24 | N5 | CU1 | 130.8° | 113.2° |
| C24 | N5 | C20 | 127.5° | 118.0° |
| O1 | C1 | N6 | 125.5° | 122.0° |
| O1 | C1 | C2 | 119.0° | 120.1° |
| C23 | C22 | C21 | 124.4° | 119.1° |
| C22 | C23 | H29 | 123.9° | 120.5° |
| C23 | C22 | H30 | 117.8° | 120.4° |
| CU1 | N5 | C20 | 101.6° | 127.4° |
| N5 | C20 | C21 | 113.8° | 123.5° |
| N5 | C20 | H32 | 123.1° | 117.9° |
| C28 | N6 | C1 | 115.0° | 127.8° |
| C28 | N6 | H16 | 122.5° | 115.2° |
| N6 | C28 | H17 | 110.7° | 108.9° |
| N6 | C28 | H18 | 110.7° | 109.0° |
| N6 | C1 | C2 | 115.4° | 117.9° |
| C1 | N6 | H16 | 122.5° | 117.1° |
| C1 | C2 | C3 | 112.3° | 113.4° |
| C1 | C2 | H14 | 108.8° | 109.1° |
| C1 | C2 | H15 | 108.8° | 108.6° |
| C22 | C21 | C20 | 123.1° | 118.5° |
| C21 | C22 | H30 | 117.8° | 120.4° |
| C22 | C21 | H31 | 118.5° | 120.8° |
| C2 | C3 | C4 | 110.8° | 116.9° |
| C2 | C3 | H12 | 109.1° | 108.2° |
| C2 | C3 | H13 | 109.2° | 108.4° |
| C3 | C2 | H14 | 108.8° | 109.5° |
| C3 | C2 | H15 | 108.8° | 108.6° |
| C20 | C21 | H31 | 118.5° | 120.7° |
| C21 | C20 | H32 | 123.1° | 118.5° |
| C3 | C4 | C5 | 110.1° | 116.9° |
| C3 | C4 | H10 | 109.3° | 108.1° |
| C3 | C4 | H11 | 109.3° | 108.0° |
| C4 | C3 | H12 | 109.1° | 107.8° |
| C4 | C3 | H13 | 109.1° | 108.4° |
| C4 | C5 | C6 | 111.8° | 118.6° |
| C4 | C5 | H8 | 108.9° | 108.4° |
| C4 | C5 | H9 | 108.9° | 107.3° |
| C5 | C4 | H10 | 109.3° | 108.1° |
| C5 | C4 | H11 | 109.3° | 109.0° |
| C5 | C6 | C10 | 115.1° | 118.4° |
| C5 | C6 | S1 | 115.3° | 112.3° |
| C5 | C6 | H7 | 108.2° | 107.7° |
| C6 | C5 | H8 | 108.9° | 107.6° |
| C6 | C5 | H9 | 108.9° | 107.8° |
| C10 | C6 | S1 | 104.0° | 102.8° |
| C6 | C10 | N2 | 112.8° | 116.4° |
| C6 | C10 | C8 | 109.6° | 108.3° |
| C6 | C10 | H3 | 110.8° | 110.1° |
| C10 | C6 | H7 | 108.3° | 107.4° |
| C6 | S1 | C7 | 90.4° | 90.6° |
| S1 | C6 | H7 | 105.3° | 107.6° |
| C10 | N2 | C9 | 111.4° | 113.7° |
| N2 | C10 | C8 | 102.1° | 102.1° |
| C10 | N2 | H2 | 124.3° | 124.8° |
| N2 | C10 | H3 | 111.3° | 109.5° |
| N2 | C9 | O3 | 124.8° | 126.0° |
| N2 | C9 | N1 | 111.0° | 107.9° |
| C9 | N2 | H2 | 124.3° | 121.5° |
| C10 | C8 | C7 | 107.9° | 109.5° |
| C10 | C8 | N1 | 102.0° | 102.7° |
| C8 | C10 | H3 | 109.8° | 110.2° |
| C10 | C8 | H4 | 110.5° | 110.7° |
| S1 | C7 | C8 | 104.5° | 106.7° |
| S1 | C7 | H5 | 110.7° | 110.5° |
| S1 | C7 | H6 | 110.7° | 110.5° |
| O3 | C9 | N1 | 124.2° | 126.1° |
| C9 | N1 | C8 | 113.4° | 113.4° |
| C9 | N1 | H1 | 123.3° | 122.1° |
| C7 | C8 | N1 | 112.1° | 113.1° |
| C7 | C8 | H4 | 111.1° | 110.5° |
| C8 | C7 | H5 | 110.7° | 110.4° |
| C8 | C7 | H6 | 110.7° | 110.4° |
| C8 | N1 | H1 | 123.3° | 124.5° |
| N1 | C8 | H4 | 112.8° | 110.1° |
| H5 | C7 | H6 | 109.5° | 108.5° |
| H8 | C5 | H9 | 109.5° | 106.6° |
| H10 | C4 | H11 | 109.5° | 106.3° |
| H12 | C3 | H13 | 109.5° | 106.7° |
| H14 | C2 | H15 | 109.5° | 107.4° |
| H17 | C28 | H18 | 109.5° | 107.8° |
| H19 | C27 | H20 | 109.5° | 106.8° |
| H21 | C12 | H22 | 109.5° | 106.5° |
| H23 | C11 | H24 | 109.5° | 106.1° |
| H25 | C26 | H26 | 109.5° | 106.6° |
| H27 | C25 | H28 | 109.5° | 107.8° |
| H33 | C19 | H34 | 109.5° | 106.2° |
| H35 | C18 | H36 | 109.4° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N3 | H33 | 120.4° | 122.5° |
| C18 | C19 | N3 | H34 | 120.4° | 122.1° |
| C19 | C18 | C17 | H35 | 119.7° | 121.3° |
| C19 | C18 | C17 | H36 | 119.7° | 121.3° |
| C18 | C19 | N3 | C26 | 152.0° | 114.4° |
| C19 | C18 | C17 | C16 | 111.3° | 106.6° |
| C18 | C19 | N3 | C11 | 105.0° | 108.8° |
| C18 | C19 | N3 | CU1 | 22.4° | 4.2° |
| C19 | C18 | C17 | N4 | 65.1° | 72.9° |
| C18 | C19 | H33 | H34 | 118.9° | 114.5° |
| C19 | C18 | H35 | H36 | 120.8° | 118.9° |
| N3 | C19 | C18 | C17 | 77.5° | 64.9° |
| C19 | N3 | C26 | C11 | 105.1° | 134.1° |
| C19 | N3 | C26 | CU1 | 128.2° | 118.9° |
| C19 | N3 | C26 | C25 | 179.0° | 125.8° |
| C19 | N3 | C11 | CU1 | 128.1° | 111.6° |
| C19 | N3 | C11 | C12 | 173.1° | 171.2° |
| C19 | N3 | CU1 | N4 | 28.7° | 38.5° |
| C19 | N3 | CU1 | N5 | 134.1° | 86.0° |
| C19 | N3 | C11 | H23 | 66.2° | 64.4° |
| C19 | N3 | C11 | H24 | 52.4° | 48.6° |
| C19 | N3 | C26 | H25 | 57.9° | 3.8° |
| C19 | N3 | C26 | H26 | 59.9° | 112.1° |
| N3 | C19 | H33 | H34 | 118.9° | 116.9° |
| N3 | C19 | C18 | H35 | 42.3° | 173.8° |
| N3 | C19 | C18 | H36 | 162.8° | 56.1° |
| C18 | C17 | C16 | N4 | 176.3° | 179.5° |
| C18 | C17 | C16 | C15 | 179.8° | 180.0° |
| C18 | C17 | N4 | C13 | 179.4° | 179.7° |
| C18 | C17 | N4 | CU1 | 5.0° | 15.1° |
| C17 | C18 | C19 | H33 | 42.9° | 171.6° |
| C17 | C18 | C19 | H34 | 162.2° | 57.8° |
| C17 | C18 | H35 | H36 | 120.8° | 118.4° |
| C18 | C17 | C16 | H37 | 0.2° | 0.2° |
| N3 | C26 | C25 | H25 | 121.1° | 123.1° |
| N3 | C26 | C25 | H26 | 121.1° | 122.5° |
| C26 | N3 | C11 | CU1 | 128.9° | 112.9° |
| C26 | N3 | C11 | C12 | 83.9° | 53.4° |
| N3 | C26 | C25 | C24 | 63.9° | 67.9° |
| C26 | N3 | CU1 | N4 | 91.4° | 162.0° |
| C26 | N3 | CU1 | N5 | 14.0° | 37.5° |
| C26 | N3 | C11 | H23 | 36.8° | 71.1° |
| C26 | N3 | C11 | H24 | 155.4° | 175.9° |
| N3 | C26 | H25 | H26 | 116.5° | 116.9° |
| N3 | C26 | C25 | H27 | 175.7° | 170.8° |
| N3 | C26 | C25 | H28 | 56.6° | 52.9° |
| C26 | N3 | C19 | H33 | 31.7° | 8.1° |
| C26 | N3 | C19 | H34 | 87.6° | 123.6° |
| C25 | C26 | N3 | C11 | 75.9° | 100.1° |
| C25 | C26 | N3 | CU1 | 50.8° | 6.9° |
| C26 | C25 | C24 | H27 | 120.5° | 121.3° |
| C26 | C25 | C24 | H28 | 120.5° | 121.1° |
| C26 | C25 | C24 | C23 | 141.3° | 107.7° |
| C26 | C25 | C24 | N5 | 37.9° | 72.4° |
| C25 | C26 | H25 | H26 | 116.4° | 115.1° |
| C26 | C25 | H27 | H28 | 118.5° | 119.0° |
| C17 | C16 | C15 | H37 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 4.8° | 0.2° |
| C16 | C17 | N4 | C13 | 3.1° | 0.8° |
| C16 | C17 | N4 | CU1 | 178.8° | 164.4° |
| C16 | C17 | C18 | H35 | 128.9° | 14.6° |
| C16 | C17 | C18 | H36 | 8.4° | 132.1° |
| C17 | C16 | C15 | H38 | 175.2° | 179.9° |
| C15 | C16 | C17 | N4 | 3.8° | 0.5° |
| C16 | C15 | C14 | H38 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 5.5° | 0.2° |
| C16 | C15 | C14 | H39 | 174.5° | 180.0° |
| N3 | C11 | C12 | H23 | 120.7° | 123.8° |
| N3 | C11 | C12 | H24 | 120.7° | 122.8° |
| N3 | C11 | C12 | C27 | 140.7° | 126.1° |
| C11 | N3 | CU1 | N4 | 149.5° | 76.5° |
| C11 | N3 | CU1 | N5 | 105.0° | 159.0° |
| N3 | C11 | C12 | H21 | 19.3° | 112.5° |
| N3 | C11 | C12 | H22 | 98.0° | 3.1° |
| N3 | C11 | H23 | H24 | 117.8° | 113.6° |
| C11 | N3 | C26 | H25 | 162.9° | 137.8° |
| C11 | N3 | C26 | H26 | 45.2° | 22.0° |
| C11 | N3 | C19 | H33 | 134.6° | 128.7° |
| C11 | N3 | C19 | H34 | 15.4° | 13.3° |
| C12 | C11 | N3 | CU1 | 45.0° | 59.5° |
| C11 | C12 | C27 | H21 | 121.4° | 121.4° |
| C11 | C12 | C27 | H22 | 121.3° | 123.2° |
| C11 | C12 | C27 | C28 | 161.9° | 162.9° |
| C11 | C12 | C27 | H19 | 79.1° | 40.7° |
| C11 | C12 | C27 | H20 | 43.0° | 75.0° |
| C11 | C12 | H21 | H22 | 115.7° | 117.3° |
| C12 | C11 | H23 | H24 | 117.8° | 113.6° |
| N3 | CU1 | N4 | C17 | 42.9° | 35.1° |
| N3 | CU1 | N4 | C13 | 141.3° | 128.8° |
| N3 | CU1 | N4 | N5 | 87.5° | 111.5° |
| N3 | CU1 | N5 | C24 | 9.8° | 36.7° |
| N3 | CU1 | N5 | C20 | 167.3° | 129.6° |
| CU1 | N3 | C11 | H23 | 165.7° | 176.0° |
| CU1 | N3 | C11 | H24 | 75.7° | 63.0° |
| CU1 | N3 | C26 | H25 | 70.3° | 115.1° |
| CU1 | N3 | C26 | H26 | 171.9° | 129.1° |
| CU1 | N3 | C19 | H33 | 98.0° | 126.7° |
| CU1 | N3 | C19 | H34 | 142.7° | 117.9° |
| C17 | N4 | C13 | CU1 | 175.6° | 163.2° |
| C17 | N4 | C13 | C14 | 3.0° | 0.9° |
| C17 | N4 | CU1 | N5 | 130.3° | 76.5° |
| N4 | C17 | C18 | H35 | 54.6° | 165.8° |
| N4 | C17 | C18 | H36 | 175.2° | 48.4° |
| N4 | C17 | C16 | H37 | 176.2° | 179.7° |
| C17 | N4 | C13 | H40 | 176.9° | 179.9° |
| C15 | C14 | C13 | N4 | 4.4° | 0.6° |
| C15 | C14 | C13 | H39 | 180.0° | 179.8° |
| C14 | C15 | C16 | H37 | 175.2° | 180.0° |
| C15 | C14 | C13 | H40 | 175.6° | 179.8° |
| C25 | C24 | C23 | N5 | 179.3° | 179.9° |
| C25 | C24 | C23 | C22 | 178.2° | 179.8° |
| C25 | C24 | N5 | CU1 | 1.4° | 12.8° |
| C25 | C24 | N5 | C20 | 177.9° | 179.5° |
| C24 | C25 | C26 | H25 | 57.3° | 55.3° |
| C24 | C25 | C26 | H26 | 175.0° | 169.6° |
| C24 | C25 | H27 | H28 | 118.5° | 118.3° |
| C25 | C24 | C23 | H29 | 1.8° | 0.1° |
| C12 | C27 | C28 | H19 | 118.9° | 122.6° |
| C12 | C27 | C28 | H20 | 119.0° | 122.1° |
| C12 | C27 | C28 | N6 | 176.4° | 162.7° |
| C12 | C27 | C28 | H17 | 64.4° | 76.2° |
| C12 | C27 | C28 | H18 | 57.2° | 41.4° |
| C12 | C27 | H19 | H20 | 123.1° | 116.7° |
| C27 | C12 | H21 | H22 | 115.7° | 117.0° |
| C27 | C12 | C11 | H23 | 98.6° | 2.3° |
| C27 | C12 | C11 | H24 | 20.0° | 111.1° |
| C27 | C28 | N6 | H17 | 119.2° | 121.2° |
| C27 | C28 | N6 | H18 | 119.2° | 121.5° |
| C27 | C28 | N6 | C1 | 98.3° | 143.2° |
| C27 | C28 | N6 | H16 | 81.7° | 38.3° |
| C27 | C28 | H17 | H18 | 122.4° | 118.5° |
| C28 | C27 | H19 | H20 | 123.1° | 116.4° |
| C28 | C27 | C12 | H21 | 40.6° | 75.7° |
| C28 | C27 | C12 | H22 | 76.7° | 39.7° |
| N4 | C13 | C14 | H40 | 180.0° | 179.2° |
| C13 | N4 | CU1 | N5 | 53.9° | 119.7° |
| N4 | C13 | C14 | H39 | 175.7° | 179.6° |
| CU1 | N4 | C13 | C14 | 178.6° | 162.3° |
| N4 | CU1 | N5 | C24 | 96.5° | 148.0° |
| N4 | CU1 | N5 | C20 | 80.6° | 18.3° |
| CU1 | N4 | C13 | H40 | 1.4° | 16.9° |
| C13 | C14 | C15 | H38 | 174.5° | 179.9° |
| C24 | C23 | C22 | H29 | 180.0° | 179.9° |
| C23 | C24 | N5 | CU1 | 177.8° | 167.3° |
| C23 | C24 | N5 | C20 | 1.3° | 0.5° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C24 | C25 | H27 | 20.9° | 13.6° |
| C23 | C24 | C25 | H28 | 98.2° | 131.2° |
| C24 | C23 | C22 | H30 | 179.8° | 180.0° |
| N5 | C24 | C23 | C22 | 1.1° | 0.1° |
| C24 | N5 | CU1 | C20 | 177.1° | 166.3° |
| C24 | N5 | C20 | C21 | 0.0° | 0.7° |
| N5 | C24 | C25 | H27 | 158.4° | 166.3° |
| N5 | C24 | C25 | H28 | 82.6° | 48.7° |
| N5 | C24 | C23 | H29 | 178.9° | 180.0° |
| C24 | N5 | C20 | H32 | 179.9° | 179.9° |
| O1 | C1 | N6 | C28 | 8.4° | 4.1° |
| O1 | C1 | N6 | C2 | 179.6° | 178.9° |
| O1 | C1 | C2 | C3 | 43.3° | 91.3° |
| O1 | C1 | C2 | H14 | 77.1° | 146.4° |
| O1 | C1 | C2 | H15 | 163.8° | 29.5° |
| O1 | C1 | N6 | H16 | 171.6° | 174.3° |
| C23 | C22 | C21 | H30 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 1.7° | 0.2° |
| C23 | C22 | C21 | H31 | 178.3° | 180.0° |
| CU1 | N5 | C20 | C21 | 177.2° | 165.1° |
| CU1 | N5 | C20 | H32 | 2.8° | 14.2° |
| N5 | C20 | C21 | C22 | 1.5° | 0.6° |
| N5 | C20 | C21 | H32 | 180.0° | 179.2° |
| N5 | C20 | C21 | H31 | 178.5° | 179.6° |
| C28 | N6 | C1 | H16 | 180.0° | 178.4° |
| C28 | N6 | C1 | C2 | 172.0° | 174.9° |
| N6 | C28 | H17 | H18 | 122.4° | 118.1° |
| N6 | C28 | C27 | H19 | 57.5° | 40.1° |
| N6 | C28 | C27 | H20 | 64.6° | 75.2° |
| N6 | C1 | C2 | C3 | 137.1° | 87.6° |
| N6 | C1 | C2 | H14 | 102.5° | 34.7° |
| N6 | C1 | C2 | H15 | 16.6° | 151.5° |
| C1 | N6 | C28 | H17 | 142.5° | 95.6° |
| C1 | N6 | C28 | H18 | 20.9° | 21.7° |
| C1 | C2 | C3 | H14 | 120.4° | 122.1° |
| C1 | C2 | C3 | H15 | 120.4° | 120.9° |
| C1 | C2 | C3 | C4 | 63.5° | 98.6° |
| C1 | C2 | C3 | H12 | 56.7° | 139.6° |
| C1 | C2 | C3 | H13 | 176.3° | 24.2° |
| C1 | C2 | H14 | H15 | 118.7° | 117.6° |
| C2 | C1 | N6 | H16 | 8.0° | 6.7° |
| C22 | C21 | C20 | H31 | 180.0° | 179.8° |
| C21 | C22 | C23 | H29 | 179.7° | 179.9° |
| C22 | C21 | C20 | H32 | 178.5° | 179.8° |
| C2 | C3 | C4 | H12 | 120.2° | 122.0° |
| C2 | C3 | C4 | H13 | 120.2° | 122.8° |
| C2 | C3 | C4 | C5 | 178.7° | 163.4° |
| C2 | C3 | C4 | H10 | 61.2° | 41.3° |
| C2 | C3 | C4 | H11 | 58.6° | 73.3° |
| C2 | C3 | H12 | H13 | 119.4° | 116.5° |
| C3 | C2 | H14 | H15 | 118.7° | 117.8° |
| C20 | C21 | C22 | H30 | 178.3° | 179.8° |
| C3 | C4 | C5 | H10 | 120.1° | 122.2° |
| C3 | C4 | C5 | H11 | 120.1° | 122.8° |
| C3 | C4 | C5 | C6 | 176.7° | 94.0° |
| C3 | C4 | C5 | H8 | 62.9° | 29.0° |
| C3 | C4 | C5 | H9 | 56.4° | 143.7° |
| C3 | C4 | H10 | H11 | 119.7° | 115.7° |
| C4 | C3 | H12 | H13 | 119.3° | 116.3° |
| C4 | C3 | C2 | H14 | 176.0° | 23.5° |
| C4 | C3 | C2 | H15 | 56.9° | 140.5° |
| C4 | C5 | C6 | H8 | 120.4° | 123.4° |
| C4 | C5 | C6 | H9 | 120.4° | 122.0° |
| C4 | C5 | C6 | C10 | 163.5° | 157.9° |
| C4 | C5 | C6 | S1 | 75.4° | 82.5° |
| C4 | C5 | C6 | H7 | 42.1° | 35.8° |
| C4 | C5 | H8 | H9 | 118.9° | 115.2° |
| C5 | C4 | H10 | H11 | 119.8° | 116.9° |
| C5 | C4 | C3 | H12 | 58.5° | 74.6° |
| C5 | C4 | C3 | H13 | 61.1° | 40.6° |
| C5 | C6 | C10 | S1 | 127.1° | 124.5° |
| C5 | C6 | C10 | H7 | 121.3° | 122.2° |
| C5 | C6 | S1 | H7 | 119.2° | 118.4° |
| C5 | C6 | C10 | N2 | 46.5° | 45.6° |
| C5 | C6 | C10 | C8 | 159.6° | 159.8° |
| C5 | C6 | S1 | C7 | 171.0° | 171.6° |
| C5 | C6 | C10 | H3 | 79.1° | 79.8° |
| C6 | C5 | H8 | H9 | 118.9° | 115.4° |
| C6 | C5 | C4 | H10 | 56.6° | 143.8° |
| C6 | C5 | C4 | H11 | 63.2° | 28.7° |
| C10 | C6 | S1 | H7 | 113.8° | 113.2° |
| C6 | C10 | N2 | C8 | 117.6° | 117.6° |
| C6 | C10 | N2 | H3 | 125.3° | 125.6° |
| C6 | C10 | N2 | C9 | 117.1° | 121.8° |
| C6 | C10 | C8 | H3 | 122.0° | 120.4° |
| C10 | C6 | S1 | C7 | 44.0° | 43.2° |
| C6 | C10 | C8 | C7 | 2.2° | 8.1° |
| C6 | C10 | C8 | N1 | 120.4° | 128.5° |
| C6 | C10 | N2 | H2 | 62.9° | 59.4° |
| C6 | C10 | C8 | H4 | 119.4° | 114.0° |
| C10 | C6 | C5 | H8 | 43.1° | 78.7° |
| C10 | C6 | C5 | H9 | 76.2° | 35.9° |
| S1 | C6 | C10 | N2 | 80.6° | 78.9° |
| S1 | C6 | C10 | C8 | 32.5° | 35.3° |
| C6 | S1 | C7 | C8 | 42.8° | 39.8° |
| S1 | C6 | C10 | H3 | 153.8° | 155.8° |
| C6 | S1 | C7 | H5 | 162.0° | 80.3° |
| C6 | S1 | C7 | H6 | 76.4° | 159.7° |
| S1 | C6 | C5 | H8 | 164.2° | 40.9° |
| S1 | C6 | C5 | H9 | 44.9° | 155.5° |
| C10 | N2 | C9 | H2 | 180.0° | 178.9° |
| N2 | C10 | C8 | H3 | 118.2° | 116.3° |
| C10 | N2 | C9 | O3 | 178.7° | 178.4° |
| C10 | N2 | C9 | N1 | 1.5° | 1.3° |
| N2 | C10 | C8 | C7 | 117.6° | 115.2° |
| N2 | C10 | C8 | N1 | 0.6° | 5.2° |
| N2 | C10 | C8 | H4 | 120.8° | 122.7° |
| N2 | C10 | C6 | H7 | 167.8° | 167.7° |
| C9 | N2 | C10 | C8 | 0.4° | 4.2° |
| N2 | C9 | O3 | N1 | 176.9° | 179.7° |
| N2 | C9 | N1 | C8 | 2.0° | 2.6° |
| N2 | C9 | N1 | H1 | 178.0° | 177.3° |
| C9 | N2 | C10 | H3 | 117.6° | 112.5° |
| C10 | C8 | C7 | S1 | 29.0° | 23.6° |
| C10 | C8 | N1 | C9 | 1.6° | 5.0° |
| C10 | C8 | C7 | N1 | 111.5° | 113.8° |
| C10 | C8 | C7 | H4 | 121.3° | 122.2° |
| C10 | C8 | N1 | H4 | 118.5° | 117.9° |
| C10 | C8 | N1 | H1 | 178.4° | 174.9° |
| C8 | C10 | N2 | H2 | 179.5° | 177.0° |
| C10 | C8 | C7 | H5 | 148.2° | 96.5° |
| C10 | C8 | C7 | H6 | 90.2° | 143.7° |
| C8 | C10 | C6 | H7 | 79.1° | 78.1° |
| S1 | C7 | C8 | H5 | 119.2° | 120.1° |
| S1 | C7 | C8 | H6 | 119.2° | 120.0° |
| S1 | C7 | C8 | N1 | 82.5° | 90.2° |
| S1 | C7 | C8 | H4 | 150.3° | 145.8° |
| S1 | C7 | H5 | H6 | 122.3° | 121.2° |
| C7 | S1 | C6 | H7 | 69.9° | 70.0° |
| O3 | C9 | N1 | C8 | 179.2° | 177.6° |
| O3 | C9 | N1 | H1 | 0.8° | 2.4° |
| O3 | C9 | N2 | H2 | 1.3° | 0.4° |
| C9 | N1 | C8 | C7 | 113.6° | 112.9° |
| C9 | N1 | C8 | H1 | 180.0° | 180.0° |
| N1 | C9 | N2 | H2 | 178.5° | 179.9° |
| C9 | N1 | C8 | H4 | 120.1° | 122.9° |
| C7 | C8 | N1 | H4 | 126.4° | 124.2° |
| C7 | C8 | N1 | H1 | 66.4° | 67.1° |
| C7 | C8 | C10 | H3 | 124.2° | 128.5° |
| C8 | C7 | H5 | H6 | 122.3° | 121.0° |
| N1 | C8 | C10 | H3 | 117.6° | 111.1° |
| N1 | C8 | C7 | H5 | 36.7° | 149.7° |
| N1 | C8 | C7 | H6 | 158.3° | 29.8° |
| H1 | N1 | C8 | H4 | 59.9° | 57.1° |
| H2 | N2 | C10 | H3 | 62.4° | 66.3° |
| H3 | C10 | C8 | H4 | 2.5° | 6.4° |
| H3 | C10 | C6 | H7 | 42.2° | 42.4° |
| H4 | C8 | C7 | H5 | 90.5° | 25.7° |
| H4 | C8 | C7 | H6 | 31.1° | 94.2° |
| H7 | C6 | C5 | H8 | 78.2° | 159.3° |
| H7 | C6 | C5 | H9 | 162.5° | 86.2° |
| H8 | C5 | C4 | H10 | 177.0° | 93.2° |
| H8 | C5 | C4 | H11 | 57.1° | 151.8° |
| H9 | C5 | C4 | H10 | 63.7° | 21.6° |
| H9 | C5 | C4 | H11 | 176.4° | 93.5° |
| H10 | C4 | C3 | H12 | 178.6° | 163.3° |
| H10 | C4 | C3 | H13 | 59.0° | 81.5° |
| H11 | C4 | C3 | H12 | 61.6° | 48.7° |
| H11 | C4 | C3 | H13 | 178.8° | 163.9° |
| H12 | C3 | C2 | H14 | 63.7° | 98.3° |
| H12 | C3 | C2 | H15 | 177.1° | 18.8° |
| H13 | C3 | C2 | H14 | 55.8° | 146.3° |
| H13 | C3 | C2 | H15 | 63.3° | 96.7° |
| H16 | N6 | C28 | H17 | 37.5° | 82.8° |
| H16 | N6 | C28 | H18 | 159.1° | 159.9° |
| H17 | C28 | C27 | H19 | 176.7° | 161.2° |
| H17 | C28 | C27 | H20 | 54.5° | 45.9° |
| H18 | C28 | C27 | H19 | 61.7° | 81.2° |
| H18 | C28 | C27 | H20 | 176.2° | 163.4° |
| H19 | C27 | C12 | H21 | 159.5° | 162.2° |
| H19 | C27 | C12 | H22 | 42.2° | 82.4° |
| H20 | C27 | C12 | H21 | 78.4° | 46.4° |
| H20 | C27 | C12 | H22 | 164.3° | 161.8° |
| H21 | C12 | C11 | H23 | 140.0° | 123.7° |
| H21 | C12 | C11 | H24 | 101.4° | 10.3° |
| H22 | C12 | C11 | H23 | 22.7° | 120.7° |
| H22 | C12 | C11 | H24 | 141.3° | 125.9° |
| H25 | C26 | C25 | H27 | 63.2° | 66.1° |
| H25 | C26 | C25 | H28 | 177.8° | 176.0° |
| H26 | C26 | C25 | H27 | 54.5° | 48.3° |
| H26 | C26 | C25 | H28 | 64.5° | 69.6° |
| H29 | C23 | C22 | H30 | 0.2° | 0.1° |
| H30 | C22 | C21 | H31 | 1.7° | 0.0° |
| H31 | C21 | C20 | H32 | 1.5° | 0.4° |
| H33 | C19 | C18 | H35 | 162.6° | 50.4° |
| H33 | C19 | C18 | H36 | 76.8° | 67.4° |
| H34 | C19 | C18 | H35 | 78.1° | 63.4° |
| H34 | C19 | C18 | H36 | 42.4° | 178.8° |
| H37 | C16 | C15 | H38 | 4.8° | 0.1° |
| H38 | C15 | C14 | H39 | 5.5° | 0.1° |
| H39 | C14 | C13 | H40 | 4.4° | 0.4° |
