SQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.37Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | N5 | sing | 1.34Å | 1.43Å | Aromatic |
| C24 | C23 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.39Å | Aromatic |
| C23 | N6 | sing | 1.34Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| N5 | CU1 | sing | 1.90Å | 1.97Å | |
| N5 | C15 | doub | 1.35Å | 1.41Å | Aromatic |
| N6 | CU1 | sing | 1.90Å | 1.97Å | |
| N6 | C22 | doub | 1.35Å | 1.43Å | Aromatic |
| CU1 | N4 | sing | 2.00Å | 1.98Å | |
| C19 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.50Å | 1.53Å | |
| N4 | C12 | sing | 1.51Å | 1.46Å | |
| N4 | C20 | sing | 1.51Å | 1.43Å | |
| N4 | C13 | sing | 1.51Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| O2 | C10 | doub | 1.24Å | 1.37Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C11 | N3 | sing | 1.47Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.52Å | |
| C7 | C6 | sing | 1.54Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.57Å | 1.53Å | |
| C5 | S1 | sing | 1.82Å | 1.77Å | |
| N2 | C4 | sing | 1.45Å | 1.43Å | |
| N2 | C1 | sing | 1.34Å | 1.40Å | |
| C4 | C2 | sing | 1.55Å | 1.54Å | |
| S1 | C3 | sing | 1.79Å | 1.78Å | |
| C1 | O1 | doub | 1.24Å | 1.34Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.45Å | 1.41Å | |
| C23 | H1 | sing | 0.94Å | 1.08Å | |
| C24 | H2 | sing | 0.94Å | 1.08Å | |
| C25 | H3 | sing | 0.94Å | 1.08Å | |
| C26 | H4 | sing | 0.93Å | 1.08Å | |
| C21 | H5 | sing | 0.98Å | 1.10Å | |
| C21 | H6 | sing | 0.98Å | 1.10Å | |
| C20 | H7 | sing | 0.98Å | 1.10Å | |
| C20 | H8 | sing | 0.98Å | 1.10Å | |
| C16 | H9 | sing | 0.94Å | 1.08Å | |
| C17 | H10 | sing | 0.94Å | 1.08Å | |
| C18 | H11 | sing | 0.94Å | 1.08Å | |
| C19 | H12 | sing | 0.93Å | 1.08Å | |
| C14 | H13 | sing | 0.98Å | 1.10Å | |
| C14 | H14 | sing | 0.98Å | 1.10Å | |
| C13 | H15 | sing | 0.98Å | 1.10Å | |
| C13 | H16 | sing | 0.98Å | 1.10Å | |
| C12 | H17 | sing | 0.98Å | 1.10Å | |
| C11 | H18 | sing | 0.98Å | 1.10Å | |
| N3 | H19 | sing | 0.88Å | 1.00Å | |
| C9 | H20 | sing | 0.98Å | 1.10Å | |
| C9 | H21 | sing | 0.98Å | 1.10Å | |
| C8 | H22 | sing | 0.98Å | 1.10Å | |
| C8 | H23 | sing | 0.98Å | 1.10Å | |
| C7 | H24 | sing | 0.98Å | 1.10Å | |
| C7 | H25 | sing | 0.98Å | 1.10Å | |
| C6 | H26 | sing | 0.98Å | 1.10Å | |
| C6 | H27 | sing | 0.98Å | 1.10Å | |
| C5 | H28 | sing | 1.00Å | 1.10Å | |
| C4 | H29 | sing | 0.99Å | 1.10Å | |
| N2 | H30 | sing | 0.86Å | 1.00Å | |
| C3 | H31 | sing | 0.99Å | 1.10Å | |
| C3 | H32 | sing | 0.99Å | 1.10Å | |
| C2 | H33 | sing | 0.99Å | 1.10Å | |
| N1 | H34 | sing | 0.86Å | 1.00Å | |
| C12 | H35 | sing | 0.98Å | 1.10Å | |
| C11 | H36 | sing | 0.98Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 119.0° | 118.5° |
| C17 | C16 | N5 | 121.2° | 123.5° |
| C17 | C16 | H9 | 119.4° | 118.5° |
| C16 | C17 | H10 | 120.5° | 120.7° |
| C17 | C18 | C19 | 120.8° | 119.2° |
| C18 | C17 | H10 | 120.5° | 120.8° |
| C17 | C18 | H11 | 119.6° | 120.4° |
| C16 | N5 | CU1 | 117.0° | 127.8° |
| C16 | N5 | C15 | 118.6° | 118.1° |
| N5 | C16 | H9 | 119.4° | 118.0° |
| C23 | C24 | C25 | 119.8° | 118.5° |
| C24 | C23 | N6 | 121.5° | 123.6° |
| C24 | C23 | H1 | 119.3° | 118.5° |
| C23 | C24 | H2 | 120.1° | 120.8° |
| C24 | C25 | C26 | 120.2° | 119.2° |
| C25 | C24 | H2 | 120.1° | 120.8° |
| C24 | C25 | H3 | 119.9° | 120.5° |
| C23 | N6 | CU1 | 119.7° | 123.5° |
| C23 | N6 | C22 | 117.9° | 118.0° |
| N6 | C23 | H1 | 119.3° | 117.9° |
| C18 | C19 | C15 | 120.3° | 119.3° |
| C19 | C18 | H11 | 119.6° | 120.4° |
| C18 | C19 | H12 | 119.8° | 120.5° |
| C25 | C26 | C22 | 121.0° | 119.3° |
| C26 | C25 | H3 | 119.9° | 120.4° |
| C25 | C26 | H4 | 119.5° | 120.6° |
| CU1 | N5 | C15 | 124.4° | 113.9° |
| N5 | CU1 | N6 | 165.3° | 135.5° |
| N5 | CU1 | N4 | 102.0° | 99.1° |
| N5 | C15 | C19 | 120.1° | 121.4° |
| N5 | C15 | C14 | 116.1° | 116.2° |
| CU1 | N6 | C22 | 122.3° | 117.3° |
| N6 | CU1 | N4 | 92.3° | 104.1° |
| N6 | C22 | C26 | 119.6° | 121.4° |
| N6 | C22 | C21 | 121.9° | 116.4° |
| CU1 | N4 | C12 | 108.6° | 101.2° |
| CU1 | N4 | C20 | 107.8° | 107.5° |
| CU1 | N4 | C13 | 111.3° | 105.6° |
| C19 | C15 | C14 | 123.8° | 122.4° |
| C15 | C19 | H12 | 119.9° | 120.1° |
| C26 | C22 | C21 | 118.5° | 122.2° |
| C22 | C26 | H4 | 119.5° | 120.1° |
| C15 | C14 | C13 | 116.5° | 112.0° |
| C15 | C14 | H13 | 107.7° | 109.0° |
| C15 | C14 | H14 | 107.7° | 109.4° |
| C22 | C21 | C20 | 120.3° | 112.1° |
| C22 | C21 | H5 | 106.7° | 108.8° |
| C22 | C21 | H6 | 106.7° | 109.4° |
| C12 | N4 | C20 | 127.6° | 115.4° |
| C12 | N4 | C13 | 88.5° | 111.2° |
| N4 | C12 | C11 | 118.6° | 120.2° |
| N4 | C12 | H17 | 107.1° | 107.7° |
| N4 | C12 | H35 | 107.1° | 108.1° |
| C20 | N4 | C13 | 111.6° | 114.4° |
| N4 | C20 | C21 | 115.7° | 118.4° |
| N4 | C20 | H7 | 107.9° | 108.9° |
| N4 | C20 | H8 | 107.9° | 108.1° |
| N4 | C13 | C14 | 119.1° | 117.4° |
| N4 | C13 | H15 | 107.0° | 108.8° |
| N4 | C13 | H16 | 107.0° | 109.1° |
| C13 | C14 | H13 | 107.7° | 109.3° |
| C13 | C14 | H14 | 107.7° | 109.3° |
| C14 | C13 | H15 | 107.0° | 107.5° |
| C14 | C13 | H16 | 107.0° | 107.2° |
| C20 | C21 | H5 | 106.7° | 109.6° |
| C20 | C21 | H6 | 106.7° | 109.3° |
| C21 | C20 | H7 | 107.9° | 106.8° |
| C21 | C20 | H8 | 107.9° | 107.6° |
| C12 | C11 | N3 | 121.0° | 111.4° |
| C11 | C12 | H17 | 107.1° | 107.6° |
| C12 | C11 | H18 | 106.5° | 109.1° |
| C11 | C12 | H35 | 107.1° | 106.1° |
| C12 | C11 | H36 | 106.5° | 110.0° |
| O2 | C10 | N3 | 119.8° | 122.2° |
| O2 | C10 | C9 | 118.5° | 120.0° |
| N3 | C10 | C9 | 121.3° | 117.8° |
| C10 | N3 | C11 | 126.9° | 127.1° |
| C10 | N3 | H19 | 116.5° | 117.5° |
| C10 | C9 | C8 | 113.7° | 113.5° |
| C10 | C9 | H20 | 108.4° | 108.5° |
| C10 | C9 | H21 | 108.4° | 109.2° |
| N3 | C11 | H18 | 106.5° | 108.8° |
| C11 | N3 | H19 | 116.6° | 115.3° |
| N3 | C11 | H36 | 106.5° | 109.9° |
| C9 | C8 | C7 | 113.1° | 116.8° |
| C8 | C9 | H20 | 108.4° | 108.5° |
| C8 | C9 | H21 | 108.4° | 109.5° |
| C9 | C8 | H22 | 108.6° | 108.5° |
| C9 | C8 | H23 | 108.6° | 108.3° |
| C8 | C7 | C6 | 115.7° | 115.7° |
| C7 | C8 | H22 | 108.6° | 108.2° |
| C7 | C8 | H23 | 108.6° | 107.8° |
| C8 | C7 | H24 | 107.9° | 108.2° |
| C8 | C7 | H25 | 107.9° | 108.3° |
| C7 | C6 | C5 | 114.1° | 118.1° |
| C6 | C7 | H24 | 107.9° | 109.3° |
| C6 | C7 | H25 | 107.9° | 108.4° |
| C7 | C6 | H26 | 108.3° | 107.6° |
| C7 | C6 | H27 | 108.3° | 108.4° |
| C6 | C5 | C4 | 112.5° | 118.7° |
| C6 | C5 | S1 | 118.3° | 111.1° |
| C5 | C6 | H26 | 108.3° | 107.6° |
| C5 | C6 | H27 | 108.3° | 108.0° |
| C6 | C5 | H28 | 108.2° | 107.7° |
| C4 | C5 | S1 | 103.7° | 103.6° |
| C5 | C4 | N2 | 115.6° | 116.3° |
| C5 | C4 | C2 | 108.4° | 108.3° |
| C4 | C5 | H28 | 108.0° | 107.5° |
| C5 | C4 | H29 | 110.1° | 110.0° |
| C5 | S1 | C3 | 87.2° | 90.6° |
| S1 | C5 | H28 | 105.5° | 107.7° |
| C4 | N2 | C1 | 116.9° | 113.7° |
| N2 | C4 | C2 | 100.6° | 102.2° |
| N2 | C4 | H29 | 111.6° | 109.5° |
| C4 | N2 | H30 | 121.5° | 124.7° |
| N2 | C1 | O1 | 126.1° | 126.0° |
| N2 | C1 | N1 | 102.3° | 108.0° |
| C1 | N2 | H30 | 121.6° | 121.6° |
| C4 | C2 | C3 | 106.7° | 109.7° |
| C4 | C2 | N1 | 105.2° | 102.7° |
| C2 | C4 | H29 | 110.0° | 110.2° |
| C4 | C2 | H33 | 108.9° | 110.6° |
| S1 | C3 | C2 | 104.3° | 106.5° |
| S1 | C3 | H31 | 110.8° | 110.5° |
| S1 | C3 | H32 | 110.8° | 110.5° |
| O1 | C1 | N1 | 131.6° | 126.0° |
| C1 | N1 | C2 | 115.0° | 113.4° |
| C1 | N1 | H34 | 122.5° | 122.1° |
| C3 | C2 | N1 | 115.8° | 113.1° |
| C2 | C3 | H31 | 110.8° | 110.4° |
| C2 | C3 | H32 | 110.7° | 110.3° |
| C3 | C2 | H33 | 109.3° | 110.5° |
| N1 | C2 | H33 | 110.6° | 110.1° |
| C2 | N1 | H34 | 122.5° | 124.5° |
| H5 | C21 | H6 | 109.5° | 107.6° |
| H7 | C20 | H8 | 109.5° | 106.5° |
| H13 | C14 | H14 | 109.5° | 107.7° |
| H15 | C13 | H16 | 109.5° | 106.2° |
| H17 | C12 | H35 | 109.5° | 106.3° |
| H18 | C11 | H36 | 109.5° | 107.6° |
| H20 | C9 | H21 | 109.5° | 107.4° |
| H22 | C8 | H23 | 109.5° | 106.8° |
| H24 | C7 | H25 | 109.5° | 106.7° |
| H26 | C6 | H27 | 109.5° | 106.6° |
| H31 | C3 | H32 | 109.4° | 108.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C17 | C16 | N5 | H9 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | N5 | CU1 | 179.9° | 174.9° |
| C17 | C16 | N5 | C15 | 0.1° | 0.1° |
| C16 | C17 | C18 | H11 | 179.8° | 179.9° |
| C18 | C17 | C16 | N5 | 0.1° | 0.1° |
| C17 | C18 | C19 | H11 | 180.0° | 179.9° |
| C17 | C18 | C19 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | H9 | 179.9° | 179.9° |
| C17 | C18 | C19 | H12 | 179.7° | 180.0° |
| C16 | N5 | CU1 | C15 | 180.0° | 175.2° |
| C16 | N5 | CU1 | N6 | 30.0° | 110.8° |
| C16 | N5 | CU1 | N4 | 164.0° | 128.1° |
| C16 | N5 | C15 | C19 | 0.2° | 0.1° |
| C16 | N5 | C15 | C14 | 180.0° | 179.7° |
| N5 | C16 | C17 | H10 | 179.8° | 179.8° |
| C23 | C24 | C25 | H2 | 180.0° | 179.8° |
| C24 | C23 | N6 | H1 | 180.0° | 179.4° |
| C23 | C24 | C25 | C26 | 0.5° | 0.2° |
| C24 | C23 | N6 | CU1 | 179.9° | 166.8° |
| C24 | C23 | N6 | C22 | 0.1° | 0.3° |
| C23 | C24 | C25 | H3 | 179.5° | 179.9° |
| C25 | C24 | C23 | N6 | 0.6° | 0.4° |
| C24 | C25 | C26 | H3 | 180.0° | 179.9° |
| C24 | C25 | C26 | C22 | 0.0° | 0.1° |
| C25 | C24 | C23 | H1 | 179.4° | 179.8° |
| C24 | C25 | C26 | H4 | 180.0° | 179.9° |
| C23 | N6 | CU1 | N5 | 41.9° | 16.7° |
| C23 | N6 | CU1 | C22 | 179.8° | 167.1° |
| C23 | N6 | CU1 | N4 | 151.9° | 136.0° |
| C23 | N6 | C22 | C26 | 0.4° | 0.0° |
| C23 | N6 | C22 | C21 | 179.8° | 179.5° |
| N6 | C23 | C24 | H2 | 179.4° | 179.8° |
| C18 | C19 | C15 | N5 | 0.3° | 0.1° |
| C18 | C19 | C15 | H12 | 180.0° | 179.9° |
| C18 | C19 | C15 | C14 | 179.9° | 179.7° |
| C19 | C18 | C17 | H10 | 179.8° | 179.9° |
| C25 | C26 | C22 | N6 | 0.5° | 0.2° |
| C25 | C26 | C22 | H4 | 180.0° | 180.0° |
| C25 | C26 | C22 | C21 | 179.7° | 179.6° |
| C26 | C25 | C24 | H2 | 179.5° | 180.0° |
| N5 | CU1 | N6 | N4 | 166.3° | 119.3° |
| N5 | CU1 | N6 | C22 | 138.4° | 150.4° |
| CU1 | N5 | C15 | C19 | 179.9° | 175.7° |
| CU1 | N5 | C15 | C14 | 0.0° | 4.6° |
| N5 | CU1 | N4 | C12 | 102.8° | 68.7° |
| N5 | CU1 | N4 | C20 | 115.6° | 169.8° |
| N5 | CU1 | N4 | C13 | 7.0° | 47.2° |
| CU1 | N5 | C16 | H9 | 0.1° | 4.9° |
| C15 | N5 | CU1 | N6 | 150.0° | 74.0° |
| C15 | N5 | CU1 | N4 | 15.9° | 47.1° |
| N5 | C15 | C19 | C14 | 179.8° | 179.6° |
| N5 | C15 | C14 | C13 | 41.3° | 66.8° |
| C15 | N5 | C16 | H9 | 179.9° | 179.9° |
| N5 | C15 | C19 | H12 | 179.7° | 180.0° |
| N5 | C15 | C14 | H13 | 162.4° | 54.3° |
| N5 | C15 | C14 | H14 | 79.7° | 171.8° |
| CU1 | N6 | C22 | C26 | 179.3° | 167.9° |
| CU1 | N6 | C22 | C21 | 0.4° | 12.7° |
| N6 | CU1 | N4 | C12 | 80.7° | 149.4° |
| N6 | CU1 | N4 | C20 | 60.9° | 28.0° |
| N6 | CU1 | N4 | C13 | 176.5° | 94.6° |
| CU1 | N6 | C23 | H1 | 0.1° | 12.7° |
| C22 | N6 | CU1 | N4 | 27.9° | 31.1° |
| N6 | C22 | C26 | C21 | 179.8° | 179.4° |
| N6 | C22 | C21 | C20 | 5.0° | 67.1° |
| C22 | N6 | C23 | H1 | 179.9° | 179.7° |
| N6 | C22 | C26 | H4 | 179.5° | 179.8° |
| N6 | C22 | C21 | H5 | 116.5° | 54.3° |
| N6 | C22 | C21 | H6 | 126.5° | 171.5° |
| CU1 | N4 | C12 | C20 | 131.7° | 115.8° |
| CU1 | N4 | C12 | C13 | 112.0° | 111.8° |
| CU1 | N4 | C20 | C13 | 122.4° | 117.0° |
| CU1 | N4 | C13 | C14 | 46.9° | 0.8° |
| CU1 | N4 | C20 | C21 | 71.2° | 14.8° |
| CU1 | N4 | C12 | C11 | 155.1° | 50.9° |
| CU1 | N4 | C20 | H7 | 167.9° | 107.3° |
| CU1 | N4 | C20 | H8 | 49.7° | 137.4° |
| CU1 | N4 | C13 | H15 | 168.3° | 123.2° |
| CU1 | N4 | C13 | H16 | 74.4° | 121.3° |
| CU1 | N4 | C12 | H17 | 33.8° | 174.5° |
| CU1 | N4 | C12 | H35 | 83.6° | 71.0° |
| C19 | C15 | C14 | C13 | 138.8° | 113.6° |
| C15 | C19 | C18 | H11 | 179.8° | 179.8° |
| C19 | C15 | C14 | H13 | 17.8° | 125.3° |
| C19 | C15 | C14 | H14 | 100.1° | 7.8° |
| C26 | C22 | C21 | C20 | 174.8° | 113.4° |
| C22 | C26 | C25 | H3 | 180.0° | 179.8° |
| C26 | C22 | C21 | H5 | 63.7° | 125.2° |
| C26 | C22 | C21 | H6 | 53.3° | 8.0° |
| C15 | C14 | C13 | N4 | 72.2° | 61.5° |
| C15 | C14 | C13 | H13 | 121.0° | 120.9° |
| C15 | C14 | C13 | H14 | 121.0° | 121.4° |
| C14 | C15 | C19 | H12 | 0.1° | 0.4° |
| C15 | C14 | H13 | H14 | 116.8° | 118.6° |
| C15 | C14 | C13 | H15 | 166.4° | 61.5° |
| C15 | C14 | C13 | H16 | 49.1° | 175.3° |
| C22 | C21 | C20 | N4 | 35.3° | 68.3° |
| C22 | C21 | C20 | H5 | 121.5° | 120.9° |
| C22 | C21 | C20 | H6 | 121.5° | 121.4° |
| C21 | C22 | C26 | H4 | 0.3° | 0.4° |
| C22 | C21 | H5 | H6 | 115.2° | 118.4° |
| C22 | C21 | C20 | H7 | 156.2° | 54.9° |
| C22 | C21 | C20 | H8 | 85.6° | 168.9° |
| C12 | N4 | C20 | C13 | 105.5° | 130.9° |
| C12 | N4 | C13 | C14 | 156.3° | 108.2° |
| C12 | N4 | C20 | C21 | 60.8° | 97.3° |
| N4 | C12 | C11 | H17 | 121.3° | 123.6° |
| N4 | C12 | C11 | H35 | 121.3° | 122.9° |
| N4 | C12 | C11 | N3 | 161.0° | 116.1° |
| C12 | N4 | C20 | H7 | 60.1° | 140.6° |
| C12 | N4 | C20 | H8 | 178.3° | 25.3° |
| C12 | N4 | C13 | H15 | 82.3° | 14.2° |
| C12 | N4 | C13 | H16 | 35.0° | 129.7° |
| N4 | C12 | H17 | H35 | 115.8° | 115.6° |
| N4 | C12 | C11 | H18 | 77.4° | 123.7° |
| N4 | C12 | C11 | H36 | 39.4° | 5.9° |
| C20 | N4 | C13 | C14 | 73.5° | 118.9° |
| N4 | C20 | C21 | H7 | 120.9° | 123.2° |
| N4 | C20 | C21 | H8 | 120.9° | 122.8° |
| C20 | N4 | C12 | C11 | 23.4° | 64.8° |
| N4 | C20 | C21 | H5 | 156.9° | 52.7° |
| N4 | C20 | C21 | H6 | 86.2° | 170.3° |
| N4 | C20 | H7 | H8 | 117.2° | 116.4° |
| C20 | N4 | C13 | H15 | 47.9° | 118.8° |
| C20 | N4 | C13 | H16 | 165.2° | 3.3° |
| C20 | N4 | C12 | H17 | 97.9° | 58.8° |
| C20 | N4 | C12 | H35 | 144.7° | 173.2° |
| N4 | C13 | C14 | H15 | 121.3° | 123.0° |
| N4 | C13 | C14 | H16 | 121.3° | 123.1° |
| C13 | N4 | C20 | C21 | 166.3° | 131.8° |
| C13 | N4 | C12 | C11 | 92.9° | 162.7° |
| C13 | N4 | C20 | H7 | 45.4° | 9.7° |
| C13 | N4 | C20 | H8 | 72.8° | 105.7° |
| N4 | C13 | C14 | H13 | 166.8° | 59.4° |
| N4 | C13 | C14 | H14 | 48.8° | 177.0° |
| N4 | C13 | H15 | H16 | 115.7° | 117.4° |
| C13 | N4 | C12 | H17 | 145.8° | 73.7° |
| C13 | N4 | C12 | H35 | 28.4° | 40.8° |
| C13 | C14 | H13 | H14 | 116.8° | 118.7° |
| C14 | C13 | H15 | H16 | 115.6° | 114.5° |
| C20 | C21 | H5 | H6 | 115.1° | 118.7° |
| C21 | C20 | H7 | H8 | 117.2° | 114.7° |
| C12 | C11 | N3 | C10 | 88.8° | 107.1° |
| C12 | C11 | N3 | H18 | 121.6° | 120.3° |
| C12 | C11 | N3 | H36 | 121.6° | 122.1° |
| C11 | C12 | H17 | H35 | 115.9° | 113.4° |
| C12 | C11 | H18 | H36 | 114.8° | 119.3° |
| C12 | C11 | N3 | H19 | 91.2° | 74.3° |
| O2 | C10 | N3 | C9 | 171.8° | 177.8° |
| O2 | C10 | N3 | C11 | 6.5° | 7.9° |
| O2 | C10 | C9 | C8 | 38.6° | 85.3° |
| O2 | C10 | N3 | H19 | 173.4° | 170.7° |
| O2 | C10 | C9 | H20 | 82.0° | 35.4° |
| O2 | C10 | C9 | H21 | 159.2° | 152.2° |
| C10 | N3 | C11 | H19 | 180.0° | 178.6° |
| N3 | C10 | C9 | C8 | 133.4° | 96.8° |
| C10 | N3 | C11 | H18 | 149.6° | 132.5° |
| N3 | C10 | C9 | H20 | 106.0° | 142.5° |
| N3 | C10 | C9 | H21 | 12.7° | 25.7° |
| C10 | N3 | C11 | H36 | 32.8° | 15.0° |
| C9 | C10 | N3 | C11 | 165.3° | 170.0° |
| C10 | C9 | C8 | H20 | 120.6° | 120.7° |
| C10 | C9 | C8 | H21 | 120.6° | 122.3° |
| C10 | C9 | C8 | C7 | 68.4° | 96.5° |
| C9 | C10 | N3 | H19 | 14.7° | 11.5° |
| C10 | C9 | H20 | H21 | 118.0° | 117.9° |
| C10 | C9 | C8 | H22 | 52.2° | 26.1° |
| C10 | C9 | C8 | H23 | 171.1° | 141.7° |
| N3 | C11 | C12 | H17 | 39.7° | 7.5° |
| N3 | C11 | H18 | H36 | 114.8° | 119.0° |
| N3 | C11 | C12 | H35 | 77.7° | 121.0° |
| C9 | C8 | C7 | H22 | 120.5° | 122.8° |
| C9 | C8 | C7 | H23 | 120.5° | 122.1° |
| C9 | C8 | C7 | C6 | 175.0° | 173.8° |
| C8 | C9 | H20 | H21 | 118.1° | 118.3° |
| C9 | C8 | H22 | H23 | 118.3° | 116.5° |
| C9 | C8 | C7 | H24 | 64.1° | 63.2° |
| C9 | C8 | C7 | H25 | 54.1° | 52.0° |
| C8 | C7 | C6 | H24 | 120.9° | 122.4° |
| C8 | C7 | C6 | H25 | 120.9° | 121.7° |
| C8 | C7 | C6 | C5 | 178.5° | 104.5° |
| C7 | C8 | C9 | H20 | 171.0° | 142.7° |
| C7 | C8 | C9 | H21 | 52.2° | 25.8° |
| C7 | C8 | H22 | H23 | 118.4° | 115.8° |
| C8 | C7 | H24 | H25 | 117.2° | 116.3° |
| C8 | C7 | C6 | H26 | 60.8° | 133.6° |
| C8 | C7 | C6 | H27 | 57.8° | 18.7° |
| C7 | C6 | C5 | H26 | 120.7° | 121.9° |
| C7 | C6 | C5 | H27 | 120.7° | 123.3° |
| C7 | C6 | C5 | C4 | 168.7° | 163.1° |
| C7 | C6 | C5 | S1 | 70.3° | 77.0° |
| C6 | C7 | C8 | H22 | 54.4° | 51.0° |
| C6 | C7 | C8 | H23 | 64.5° | 64.1° |
| C6 | C7 | H24 | H25 | 117.2° | 117.0° |
| C7 | C6 | H26 | H27 | 117.9° | 116.1° |
| C7 | C6 | C5 | H28 | 49.4° | 40.8° |
| C6 | C5 | C4 | S1 | 129.0° | 123.7° |
| C6 | C5 | C4 | H28 | 119.3° | 122.5° |
| C6 | C5 | S1 | H28 | 121.1° | 117.8° |
| C6 | C5 | C4 | N2 | 49.8° | 41.9° |
| C6 | C5 | C4 | C2 | 161.7° | 156.1° |
| C6 | C5 | S1 | C3 | 172.5° | 170.7° |
| C5 | C6 | C7 | H24 | 57.6° | 17.9° |
| C5 | C6 | C7 | H25 | 60.6° | 133.8° |
| C5 | C6 | H26 | H27 | 117.9° | 115.6° |
| C6 | C5 | C4 | H29 | 77.9° | 83.4° |
| C4 | C5 | S1 | H28 | 113.4° | 113.7° |
| C5 | C4 | N2 | C2 | 116.4° | 117.7° |
| C5 | C4 | N2 | H29 | 126.9° | 125.5° |
| C5 | C4 | N2 | C1 | 114.2° | 118.6° |
| C5 | C4 | C2 | H29 | 120.4° | 120.4° |
| C4 | C5 | S1 | C3 | 47.1° | 42.1° |
| C5 | C4 | C2 | C3 | 2.4° | 4.5° |
| C5 | C4 | C2 | N1 | 121.2° | 125.0° |
| C4 | C5 | C6 | H26 | 48.0° | 75.0° |
| C4 | C5 | C6 | H27 | 70.6° | 39.8° |
| C5 | C4 | N2 | H30 | 65.8° | 62.5° |
| C5 | C4 | C2 | H33 | 120.2° | 117.6° |
| S1 | C5 | C4 | N2 | 79.3° | 81.9° |
| S1 | C5 | C4 | C2 | 32.6° | 32.4° |
| C5 | S1 | C3 | C2 | 49.4° | 40.5° |
| S1 | C5 | C6 | H26 | 169.0° | 44.9° |
| S1 | C5 | C6 | H27 | 50.4° | 159.7° |
| S1 | C5 | C4 | H29 | 153.0° | 152.9° |
| C5 | S1 | C3 | H31 | 168.5° | 79.5° |
| C5 | S1 | C3 | H32 | 69.8° | 160.3° |
| C4 | N2 | C1 | H30 | 180.0° | 179.0° |
| N2 | C4 | C2 | H29 | 117.8° | 116.3° |
| C4 | N2 | C1 | O1 | 177.6° | 179.8° |
| C4 | N2 | C1 | N1 | 3.0° | 0.3° |
| N2 | C4 | C2 | C3 | 124.1° | 118.8° |
| N2 | C4 | C2 | N1 | 0.5° | 1.7° |
| N2 | C4 | C5 | H28 | 169.1° | 164.3° |
| N2 | C4 | C2 | H33 | 118.1° | 119.1° |
| C1 | N2 | C4 | C2 | 2.2° | 0.9° |
| N2 | C1 | O1 | N1 | 179.2° | 179.4° |
| N2 | C1 | N1 | C2 | 2.5° | 1.6° |
| C1 | N2 | C4 | H29 | 118.9° | 115.9° |
| N2 | C1 | N1 | H34 | 177.5° | 178.4° |
| C4 | C2 | C3 | S1 | 36.3° | 26.3° |
| C4 | C2 | N1 | C1 | 1.3° | 2.0° |
| C4 | C2 | C3 | N1 | 116.7° | 114.0° |
| C4 | C2 | C3 | H33 | 117.6° | 122.2° |
| C4 | C2 | N1 | H33 | 117.5° | 117.8° |
| C2 | C4 | C5 | H28 | 79.0° | 81.4° |
| C2 | C4 | N2 | H30 | 177.7° | 179.8° |
| C4 | C2 | C3 | H31 | 155.5° | 93.7° |
| C4 | C2 | C3 | H32 | 82.9° | 146.2° |
| C4 | C2 | N1 | H34 | 178.7° | 178.0° |
| S1 | C3 | C2 | H31 | 119.2° | 120.0° |
| S1 | C3 | C2 | H32 | 119.2° | 119.9° |
| S1 | C3 | C2 | N1 | 80.3° | 87.7° |
| C3 | S1 | C5 | H28 | 66.4° | 71.6° |
| S1 | C3 | H31 | H32 | 122.4° | 121.4° |
| S1 | C3 | C2 | H33 | 153.9° | 148.5° |
| O1 | C1 | N1 | C2 | 178.2° | 178.9° |
| O1 | C1 | N2 | H30 | 2.4° | 0.8° |
| O1 | C1 | N1 | H34 | 1.8° | 1.1° |
| C1 | N1 | C2 | C3 | 116.2° | 116.0° |
| C1 | N1 | C2 | H34 | 180.0° | 180.0° |
| N1 | C1 | N2 | H30 | 177.0° | 178.7° |
| C1 | N1 | C2 | H33 | 118.7° | 119.9° |
| C3 | C2 | N1 | H33 | 125.1° | 124.1° |
| C3 | C2 | C4 | H29 | 118.1° | 124.9° |
| C2 | C3 | H31 | H32 | 122.4° | 121.1° |
| C3 | C2 | N1 | H34 | 63.8° | 64.0° |
| N1 | C2 | C4 | H29 | 118.4° | 114.7° |
| N1 | C2 | C3 | H31 | 38.9° | 152.3° |
| N1 | C2 | C3 | H32 | 160.5° | 32.3° |
| H1 | C23 | C24 | H2 | 0.6° | 0.4° |
| H2 | C24 | C25 | H3 | 0.5° | 0.1° |
| H3 | C25 | C26 | H4 | 0.0° | 0.2° |
| H5 | C21 | C20 | H7 | 82.2° | 175.9° |
| H5 | C21 | C20 | H8 | 36.0° | 70.2° |
| H6 | C21 | C20 | H7 | 34.7° | 66.5° |
| H6 | C21 | C20 | H8 | 152.9° | 47.5° |
| H9 | C16 | C17 | H10 | 0.1° | 0.0° |
| H10 | C17 | C18 | H11 | 0.2° | 0.1° |
| H11 | C18 | C19 | H12 | 0.3° | 0.1° |
| H13 | C14 | C13 | H15 | 45.4° | 177.6° |
| H13 | C14 | C13 | H16 | 71.9° | 63.8° |
| H14 | C14 | C13 | H15 | 72.5° | 60.0° |
| H14 | C14 | C13 | H16 | 170.2° | 53.9° |
| H17 | C12 | C11 | H18 | 161.3° | 112.7° |
| H17 | C12 | C11 | H36 | 81.9° | 129.6° |
| H18 | C11 | N3 | H19 | 30.4° | 46.1° |
| H18 | C11 | C12 | H35 | 43.9° | 0.8° |
| H19 | N3 | C11 | H36 | 147.2° | 163.6° |
| H20 | C9 | C8 | H22 | 68.5° | 94.6° |
| H20 | C9 | C8 | H23 | 50.4° | 20.9° |
| H21 | C9 | C8 | H22 | 172.8° | 148.4° |
| H21 | C9 | C8 | H23 | 68.3° | 96.0° |
| H22 | C8 | C7 | H24 | 175.3° | 174.0° |
| H22 | C8 | C7 | H25 | 66.5° | 70.8° |
| H23 | C8 | C7 | H24 | 56.4° | 58.9° |
| H23 | C8 | C7 | H25 | 174.6° | 174.1° |
| H24 | C7 | C6 | H26 | 178.3° | 104.0° |
| H24 | C7 | C6 | H27 | 63.1° | 141.0° |
| H25 | C7 | C6 | H26 | 60.1° | 11.9° |
| H25 | C7 | C6 | H27 | 178.7° | 103.1° |
| H26 | C6 | C5 | H28 | 71.2° | 162.7° |
| H27 | C6 | C5 | H28 | 170.2° | 82.6° |
| H28 | C5 | C4 | H29 | 41.4° | 39.1° |
| H29 | C4 | N2 | H30 | 61.1° | 63.1° |
| H29 | C4 | C2 | H33 | 0.3° | 2.8° |
| H31 | C3 | C2 | H33 | 86.9° | 28.5° |
| H32 | C3 | C2 | H33 | 34.7° | 91.6° |
| H33 | C2 | N1 | H34 | 61.2° | 60.1° |
| H35 | C12 | C11 | H36 | 160.7° | 116.9° |
