CU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.37Å | 1.44Å | Aromatic |
| C17 | C16 | sing | 1.37Å | 1.44Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | N5 | doub | 1.34Å | 1.48Å | Aromatic |
| C19 | C15 | doub | 1.40Å | 1.46Å | Aromatic |
| N5 | C15 | sing | 1.35Å | 1.43Å | Aromatic |
| N5 | CU1 | sing | 2.30Å | 2.02Å | |
| C23 | C24 | doub | 1.37Å | 1.42Å | Aromatic |
| C23 | N6 | sing | 1.34Å | 1.45Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| CU1 | N6 | sing | 2.10Å | 2.09Å | |
| CU1 | N4 | sing | 2.08Å | 2.06Å | |
| C24 | C25 | sing | 1.37Å | 1.41Å | Aromatic |
| N6 | C22 | doub | 1.35Å | 1.50Å | Aromatic |
| C14 | C13 | sing | 1.54Å | 1.56Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.40Å | 1.46Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| N4 | C12 | sing | 1.51Å | 1.52Å | |
| N4 | C13 | sing | 1.51Å | 1.53Å | |
| N4 | C20 | sing | 1.51Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| O2 | C10 | doub | 1.24Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.51Å | 1.47Å | |
| C11 | N3 | sing | 1.47Å | 1.49Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C7 | sing | 1.55Å | 1.57Å | |
| C7 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.54Å | 1.59Å | |
| C5 | C4 | sing | 1.57Å | 1.52Å | |
| C5 | S1 | sing | 1.82Å | 1.84Å | |
| N2 | C4 | sing | 1.45Å | 1.44Å | |
| N2 | C1 | sing | 1.35Å | 1.39Å | |
| C4 | C2 | sing | 1.55Å | 1.57Å | |
| S1 | C3 | sing | 1.79Å | 1.82Å | |
| C1 | O1 | doub | 1.24Å | 1.32Å | |
| C1 | N1 | sing | 1.34Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C2 | N1 | sing | 1.45Å | 1.45Å | |
| CU1 | O4 | sing | 2.01Å | 2.46Å | |
| CU1 | O3 | sing | 2.00Å | 2.51Å | |
| C2 | H1 | sing | 0.99Å | 1.10Å | |
| C3 | H2 | sing | 0.99Å | 1.10Å | |
| C3 | H3 | sing | 0.99Å | 1.10Å | |
| C4 | H4 | sing | 0.99Å | 1.10Å | |
| C5 | H5 | sing | 1.00Å | 1.10Å | |
| C6 | H6 | sing | 0.98Å | 1.10Å | |
| C6 | H7 | sing | 0.98Å | 1.10Å | |
| C7 | H8 | sing | 0.98Å | 1.10Å | |
| C7 | H9 | sing | 0.98Å | 1.10Å | |
| C8 | H10 | sing | 0.98Å | 1.10Å | |
| C8 | H11 | sing | 0.98Å | 1.10Å | |
| C9 | H12 | sing | 0.98Å | 1.10Å | |
| C9 | H13 | sing | 0.98Å | 1.10Å | |
| C11 | H14 | sing | 0.98Å | 1.10Å | |
| C11 | H15 | sing | 0.98Å | 1.10Å | |
| C13 | H16 | sing | 0.98Å | 1.10Å | |
| C13 | H17 | sing | 0.98Å | 1.10Å | |
| C14 | H18 | sing | 0.98Å | 1.10Å | |
| C14 | H19 | sing | 0.98Å | 1.10Å | |
| C16 | H20 | sing | 0.94Å | 1.08Å | |
| C17 | H21 | sing | 0.94Å | 1.08Å | |
| C19 | H22 | sing | 0.93Å | 1.08Å | |
| C20 | H23 | sing | 0.98Å | 1.10Å | |
| C20 | H24 | sing | 0.98Å | 1.10Å | |
| C25 | H25 | sing | 0.94Å | 1.08Å | |
| C26 | H26 | sing | 0.93Å | 1.08Å | |
| C23 | H27 | sing | 0.94Å | 1.08Å | |
| C24 | H28 | sing | 0.94Å | 1.08Å | |
| C21 | H29 | sing | 0.98Å | 1.10Å | |
| C21 | H30 | sing | 0.98Å | 1.10Å | |
| C18 | H31 | sing | 0.94Å | 1.08Å | |
| C12 | H32 | sing | 0.98Å | 1.10Å | |
| C12 | H33 | sing | 0.98Å | 1.10Å | |
| N3 | H34 | sing | 0.87Å | 1.00Å | |
| N2 | H35 | sing | 0.86Å | 1.00Å | |
| N1 | H36 | sing | 0.86Å | 1.00Å | |
| H37 | O3 | sing | 0.86Å | 0.95Å | |
| H38 | O3 | sing | 0.86Å | 0.95Å | |
| H39 | O4 | sing | 0.86Å | 0.95Å | |
| H40 | O4 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 118.9° | 118.5° |
| C17 | C18 | C19 | 121.2° | 119.1° |
| C18 | C17 | H21 | 120.5° | 120.8° |
| C17 | C18 | H31 | 119.4° | 120.5° |
| C17 | C16 | N5 | 120.3° | 123.8° |
| C17 | C16 | H20 | 119.9° | 118.2° |
| C16 | C17 | H21 | 120.5° | 120.7° |
| C18 | C19 | C15 | 119.9° | 119.7° |
| C18 | C19 | H22 | 120.1° | 120.3° |
| C19 | C18 | H31 | 119.4° | 120.4° |
| C16 | N5 | C15 | 120.4° | 118.0° |
| C16 | N5 | CU1 | 116.7° | 111.8° |
| N5 | C16 | H20 | 119.9° | 117.9° |
| C19 | C15 | N5 | 119.3° | 120.8° |
| C19 | C15 | C14 | 119.8° | 120.7° |
| C15 | C19 | H22 | 120.0° | 120.0° |
| C15 | N5 | CU1 | 123.0° | 121.4° |
| N5 | C15 | C14 | 120.9° | 118.5° |
| N5 | CU1 | N6 | 171.0° | 103.2° |
| N5 | CU1 | N4 | 101.6° | 94.4° |
| N5 | CU1 | O4 | 83.2° | 83.5° |
| N5 | CU1 | O3 | 84.7° | 100.8° |
| C24 | C23 | N6 | 120.5° | 124.1° |
| C23 | C24 | C25 | 124.1° | 118.6° |
| C24 | C23 | H27 | 119.8° | 117.8° |
| C23 | C24 | H28 | 117.9° | 120.6° |
| C23 | N6 | CU1 | 120.4° | 121.5° |
| C23 | N6 | C22 | 113.8° | 117.1° |
| N6 | C23 | H27 | 119.7° | 118.1° |
| C15 | C14 | C13 | 123.9° | 114.6° |
| C15 | C14 | H18 | 105.7° | 108.7° |
| C15 | C14 | H19 | 105.8° | 108.6° |
| N6 | CU1 | N4 | 86.9° | 97.3° |
| CU1 | N6 | C22 | 125.8° | 121.4° |
| N6 | CU1 | O4 | 89.3° | 163.7° |
| N6 | CU1 | O3 | 96.1° | 92.7° |
| CU1 | N4 | C12 | 98.7° | 100.4° |
| CU1 | N4 | C13 | 104.2° | 106.4° |
| CU1 | N4 | C20 | 123.9° | 110.6° |
| N4 | CU1 | O4 | 127.9° | 97.0° |
| N4 | CU1 | O3 | 103.8° | 159.4° |
| C24 | C25 | C26 | 119.9° | 119.0° |
| C24 | C25 | H25 | 120.0° | 120.5° |
| C25 | C24 | H28 | 118.0° | 120.8° |
| N6 | C22 | C26 | 123.9° | 121.6° |
| N6 | C22 | C21 | 117.7° | 117.5° |
| C14 | C13 | N4 | 126.1° | 124.2° |
| C14 | C13 | H16 | 105.2° | 105.7° |
| C14 | C13 | H17 | 105.2° | 106.0° |
| C13 | C14 | H18 | 105.8° | 108.3° |
| C13 | C14 | H19 | 105.7° | 109.6° |
| C25 | C26 | C22 | 117.7° | 119.5° |
| C26 | C25 | H25 | 120.1° | 120.5° |
| C25 | C26 | H26 | 121.1° | 120.4° |
| C26 | C22 | C21 | 118.4° | 120.8° |
| C22 | C26 | H26 | 121.2° | 120.0° |
| C22 | C21 | C20 | 105.4° | 112.9° |
| C22 | C21 | H29 | 110.5° | 108.5° |
| C22 | C21 | H30 | 110.5° | 109.3° |
| C12 | N4 | C13 | 107.3° | 111.3° |
| C12 | N4 | C20 | 116.6° | 112.3° |
| N4 | C12 | C11 | 111.6° | 119.1° |
| N4 | C12 | H32 | 109.0° | 108.8° |
| N4 | C12 | H33 | 108.9° | 108.1° |
| C13 | N4 | C20 | 104.8° | 114.7° |
| N4 | C13 | H16 | 105.2° | 107.5° |
| N4 | C13 | H17 | 105.2° | 106.4° |
| N4 | C20 | C21 | 118.3° | 118.9° |
| N4 | C20 | H23 | 107.2° | 108.6° |
| N4 | C20 | H24 | 107.2° | 107.8° |
| C12 | C11 | N3 | 119.7° | 113.9° |
| C12 | C11 | H14 | 106.9° | 108.6° |
| C12 | C11 | H15 | 106.9° | 109.3° |
| C11 | C12 | H32 | 108.9° | 106.6° |
| C11 | C12 | H33 | 108.9° | 107.4° |
| C21 | C20 | H23 | 107.2° | 107.0° |
| C21 | C20 | H24 | 107.2° | 107.5° |
| C20 | C21 | H29 | 110.5° | 109.8° |
| C20 | C21 | H30 | 110.5° | 108.9° |
| O2 | C10 | N3 | 119.1° | 122.4° |
| O2 | C10 | C9 | 117.7° | 120.5° |
| N3 | C10 | C9 | 123.0° | 117.1° |
| C10 | N3 | C11 | 118.0° | 127.7° |
| C10 | N3 | H34 | 121.0° | 116.0° |
| C10 | C9 | C8 | 112.0° | 113.0° |
| C10 | C9 | H12 | 108.8° | 108.8° |
| C10 | C9 | H13 | 108.8° | 108.8° |
| N3 | C11 | H14 | 106.9° | 109.0° |
| N3 | C11 | H15 | 106.9° | 108.5° |
| C11 | N3 | H34 | 121.0° | 116.3° |
| C9 | C8 | C7 | 111.3° | 117.9° |
| C9 | C8 | H10 | 109.0° | 108.2° |
| C9 | C8 | H11 | 109.0° | 108.0° |
| C8 | C9 | H12 | 108.9° | 108.9° |
| C8 | C9 | H13 | 108.8° | 109.5° |
| C8 | C7 | C6 | 109.4° | 116.0° |
| C8 | C7 | H8 | 109.5° | 107.9° |
| C8 | C7 | H9 | 109.5° | 108.5° |
| C7 | C8 | H10 | 109.0° | 108.2° |
| C7 | C8 | H11 | 109.0° | 107.4° |
| C7 | C6 | C5 | 116.4° | 117.6° |
| C7 | C6 | H6 | 107.7° | 107.6° |
| C7 | C6 | H7 | 107.7° | 108.6° |
| C6 | C7 | H8 | 109.5° | 109.2° |
| C6 | C7 | H9 | 109.5° | 108.2° |
| C6 | C5 | C4 | 115.1° | 119.7° |
| C6 | C5 | S1 | 112.3° | 111.8° |
| C6 | C5 | H5 | 108.7° | 107.4° |
| C5 | C6 | H6 | 107.7° | 107.8° |
| C5 | C6 | H7 | 107.7° | 108.1° |
| C4 | C5 | S1 | 104.8° | 102.4° |
| C5 | C4 | N2 | 115.5° | 116.4° |
| C5 | C4 | C2 | 108.3° | 108.1° |
| C5 | C4 | H4 | 109.2° | 110.2° |
| C4 | C5 | H5 | 109.5° | 107.5° |
| C5 | S1 | C3 | 87.0° | 90.1° |
| S1 | C5 | H5 | 106.0° | 107.4° |
| C4 | N2 | C1 | 111.9° | 113.8° |
| N2 | C4 | C2 | 104.9° | 102.1° |
| N2 | C4 | H4 | 110.3° | 109.6° |
| C4 | N2 | H35 | 124.1° | 124.6° |
| N2 | C1 | O1 | 122.8° | 126.0° |
| N2 | C1 | N1 | 107.3° | 107.9° |
| C1 | N2 | H35 | 124.1° | 121.6° |
| C4 | C2 | C3 | 107.1° | 109.3° |
| C4 | C2 | N1 | 102.4° | 102.7° |
| C4 | C2 | H1 | 112.8° | 110.8° |
| C2 | C4 | H4 | 108.5° | 110.2° |
| S1 | C3 | C2 | 106.2° | 106.0° |
| S1 | C3 | H2 | 110.3° | 110.7° |
| S1 | C3 | H3 | 110.3° | 110.6° |
| O1 | C1 | N1 | 127.3° | 126.0° |
| C1 | N1 | C2 | 112.3° | 113.3° |
| C1 | N1 | H36 | 123.9° | 122.2° |
| C3 | C2 | N1 | 106.5° | 112.9° |
| C3 | C2 | H1 | 112.5° | 110.6° |
| C2 | C3 | H2 | 110.3° | 110.4° |
| C2 | C3 | H3 | 110.3° | 110.5° |
| N1 | C2 | H1 | 114.8° | 110.2° |
| C2 | N1 | H36 | 123.8° | 124.5° |
| O4 | CU1 | O3 | 128.3° | 71.4° |
| CU1 | O4 | H39 | 109.5° | 113.6° |
| CU1 | O4 | H40 | 109.5° | 122.2° |
| CU1 | O3 | H37 | 109.5° | 115.5° |
| CU1 | O3 | H38 | 109.5° | 122.2° |
| H2 | C3 | H3 | 109.5° | 108.6° |
| H6 | C6 | H7 | 109.5° | 106.7° |
| H8 | C7 | H9 | 109.5° | 106.6° |
| H10 | C8 | H11 | 109.4° | 106.6° |
| H12 | C9 | H13 | 109.4° | 107.6° |
| H14 | C11 | H15 | 109.5° | 107.3° |
| H16 | C13 | H17 | 109.5° | 105.8° |
| H18 | C14 | H19 | 109.5° | 106.8° |
| H23 | C20 | H24 | 109.5° | 106.3° |
| H29 | C21 | H30 | 109.4° | 107.3° |
| H32 | C12 | H33 | 109.5° | 106.1° |
| H37 | O3 | H38 | 109.5° | 107.6° |
| H39 | O4 | H40 | 109.5° | 107.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H21 | 180.0° | 179.1° |
| C17 | C18 | C19 | H31 | 180.0° | 179.9° |
| C18 | C17 | C16 | N5 | 0.9° | 2.5° |
| C17 | C18 | C19 | C15 | 1.0° | 0.5° |
| C18 | C17 | C16 | H20 | 179.1° | 179.2° |
| C17 | C18 | C19 | H22 | 179.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.6° | 0.8° |
| C17 | C16 | N5 | H20 | 180.0° | 176.7° |
| C17 | C16 | N5 | C15 | 0.5° | 2.6° |
| C17 | C16 | N5 | CU1 | 178.8° | 145.5° |
| C16 | C17 | C18 | H31 | 179.4° | 179.3° |
| C18 | C19 | C15 | H22 | 180.0° | 179.5° |
| C18 | C19 | C15 | N5 | 2.4° | 0.4° |
| C18 | C19 | C15 | C14 | 178.3° | 178.9° |
| C19 | C18 | C17 | H21 | 179.4° | 180.0° |
| C16 | N5 | C15 | C19 | 2.2° | 1.1° |
| C16 | N5 | C15 | CU1 | 179.3° | 144.9° |
| C16 | N5 | C15 | C14 | 178.5° | 177.4° |
| C16 | N5 | CU1 | N6 | 41.3° | 85.2° |
| C16 | N5 | CU1 | N4 | 157.4° | 176.3° |
| C16 | N5 | CU1 | O4 | 75.2° | 79.7° |
| C16 | N5 | CU1 | O3 | 54.4° | 10.2° |
| N5 | C16 | C17 | H21 | 179.1° | 178.4° |
| C19 | C15 | N5 | C14 | 179.3° | 178.6° |
| C19 | C15 | N5 | CU1 | 177.1° | 143.8° |
| C19 | C15 | C14 | C13 | 179.8° | 130.8° |
| C19 | C15 | C14 | H18 | 58.2° | 9.5° |
| C19 | C15 | C14 | H19 | 57.9° | 106.3° |
| C15 | C19 | C18 | H31 | 179.0° | 179.4° |
| C15 | N5 | CU1 | N6 | 138.1° | 127.9° |
| C15 | N5 | CU1 | N4 | 23.2° | 29.4° |
| N5 | C15 | C14 | C13 | 0.9° | 50.6° |
| C15 | N5 | CU1 | O4 | 104.1° | 67.2° |
| C15 | N5 | CU1 | O3 | 126.3° | 136.7° |
| N5 | C15 | C14 | H18 | 121.1° | 171.9° |
| N5 | C15 | C14 | H19 | 122.8° | 72.3° |
| C15 | N5 | C16 | H20 | 179.5° | 179.3° |
| N5 | C15 | C19 | H22 | 177.6° | 179.8° |
| N5 | CU1 | N6 | C23 | 50.2° | 114.0° |
| CU1 | N5 | C15 | C14 | 2.1° | 37.6° |
| N5 | CU1 | N6 | N4 | 161.7° | 96.3° |
| N5 | CU1 | N6 | O4 | 33.7° | 112.8° |
| N5 | CU1 | N6 | O3 | 94.8° | 101.8° |
| N5 | CU1 | N4 | O4 | 90.4° | 84.0° |
| N5 | CU1 | N4 | O3 | 87.3° | 137.9° |
| N5 | CU1 | N6 | C22 | 129.6° | 64.6° |
| N5 | CU1 | N4 | C12 | 68.5° | 150.3° |
| N5 | CU1 | N4 | C13 | 41.9° | 34.3° |
| N5 | CU1 | N4 | C20 | 161.1° | 91.0° |
| N5 | CU1 | O4 | O3 | 77.7° | 103.8° |
| CU1 | N5 | C16 | H20 | 1.1° | 31.2° |
| N5 | CU1 | O3 | H37 | 180.0° | 44.7° |
| N5 | CU1 | O3 | H38 | 60.0° | 89.5° |
| N5 | CU1 | O4 | H39 | 180.0° | 7.8° |
| N5 | CU1 | O4 | H40 | 60.0° | 123.0° |
| C24 | C23 | N6 | H27 | 180.0° | 179.6° |
| C24 | C23 | N6 | CU1 | 179.8° | 177.3° |
| C23 | C24 | C25 | H28 | 180.0° | 179.9° |
| C24 | C23 | N6 | C22 | 0.1° | 1.3° |
| C23 | C24 | C25 | C26 | 1.9° | 0.1° |
| C23 | C24 | C25 | H25 | 178.1° | 179.9° |
| C23 | N6 | CU1 | C22 | 179.8° | 178.6° |
| C23 | N6 | CU1 | N4 | 148.2° | 149.7° |
| N6 | C23 | C24 | C25 | 1.3° | 0.5° |
| C23 | N6 | C22 | C26 | 0.7° | 1.9° |
| C23 | N6 | C22 | C21 | 179.6° | 179.6° |
| C23 | N6 | CU1 | O4 | 83.9° | 1.2° |
| C23 | N6 | CU1 | O3 | 44.6° | 12.2° |
| N6 | C23 | C24 | H28 | 178.6° | 179.6° |
| C15 | C14 | C13 | H18 | 122.0° | 121.5° |
| C15 | C14 | C13 | H19 | 122.0° | 122.3° |
| C15 | C14 | C13 | N4 | 31.4° | 71.4° |
| C15 | C14 | C13 | H16 | 90.8° | 53.3° |
| C15 | C14 | C13 | H17 | 153.6° | 165.3° |
| C15 | C14 | H18 | H19 | 113.5° | 116.9° |
| C14 | C15 | C19 | H22 | 1.7° | 1.6° |
| N6 | CU1 | N4 | O4 | 86.7° | 172.1° |
| N6 | CU1 | N4 | O3 | 95.6° | 118.2° |
| CU1 | N6 | C22 | C26 | 179.5° | 176.8° |
| CU1 | N6 | C22 | C21 | 0.6° | 1.0° |
| N6 | CU1 | N4 | C12 | 114.3° | 105.8° |
| N6 | CU1 | N4 | C13 | 135.2° | 138.2° |
| N6 | CU1 | N4 | C20 | 16.1° | 12.9° |
| N6 | CU1 | O4 | O3 | 97.3° | 11.7° |
| CU1 | N6 | C23 | H27 | 0.2° | 2.3° |
| N6 | CU1 | O3 | H37 | 9.0° | 59.3° |
| N6 | CU1 | O3 | H38 | 129.0° | 166.5° |
| N6 | CU1 | O4 | H39 | 5.0° | 107.6° |
| N6 | CU1 | O4 | H40 | 115.0° | 121.6° |
| N4 | CU1 | N6 | C22 | 32.0° | 31.7° |
| CU1 | N4 | C13 | C14 | 51.9° | 64.0° |
| CU1 | N4 | C12 | C13 | 107.9° | 112.3° |
| CU1 | N4 | C12 | C20 | 135.0° | 117.5° |
| CU1 | N4 | C13 | C20 | 131.4° | 122.7° |
| CU1 | N4 | C12 | C11 | 177.6° | 40.5° |
| CU1 | N4 | C20 | C21 | 31.9° | 32.6° |
| N4 | CU1 | O4 | O3 | 177.1° | 162.5° |
| CU1 | N4 | C13 | H16 | 70.3° | 59.9° |
| CU1 | N4 | C13 | H17 | 174.2° | 172.9° |
| CU1 | N4 | C20 | H23 | 153.1° | 90.0° |
| CU1 | N4 | C20 | H24 | 89.4° | 155.2° |
| CU1 | N4 | C12 | H32 | 57.3° | 81.8° |
| CU1 | N4 | C12 | H33 | 62.1° | 163.3° |
| N4 | CU1 | O3 | H37 | 79.3° | 178.2° |
| N4 | CU1 | O3 | H38 | 40.7° | 47.6° |
| N4 | CU1 | O4 | H39 | 80.5° | 101.5° |
| N4 | CU1 | O4 | H40 | 159.4° | 29.3° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C22 | 1.0° | 0.6° |
| C24 | C25 | C26 | H26 | 179.0° | 180.0° |
| C25 | C24 | C23 | H27 | 178.7° | 179.9° |
| N6 | C22 | C26 | C25 | 0.2° | 1.5° |
| N6 | C22 | C26 | C21 | 178.9° | 177.7° |
| N6 | C22 | C21 | C20 | 53.1° | 54.4° |
| C22 | N6 | CU1 | O4 | 96.0° | 177.4° |
| C22 | N6 | CU1 | O3 | 135.6° | 166.4° |
| N6 | C22 | C26 | H26 | 179.8° | 179.1° |
| C22 | N6 | C23 | H27 | 179.9° | 179.1° |
| N6 | C22 | C21 | H29 | 172.5° | 67.6° |
| N6 | C22 | C21 | H30 | 66.3° | 175.8° |
| C14 | C13 | N4 | C12 | 52.1° | 172.5° |
| C14 | C13 | N4 | H16 | 122.2° | 123.9° |
| C14 | C13 | N4 | H17 | 122.2° | 123.1° |
| C14 | C13 | N4 | C20 | 176.6° | 58.7° |
| C14 | C13 | H16 | H17 | 112.6° | 112.1° |
| C13 | C14 | H18 | H19 | 113.5° | 118.0° |
| C25 | C26 | C22 | H26 | 180.0° | 179.4° |
| C25 | C26 | C22 | C21 | 179.1° | 179.2° |
| C26 | C25 | C24 | H28 | 178.1° | 180.0° |
| C26 | C22 | C21 | C20 | 125.9° | 127.8° |
| C22 | C26 | C25 | H25 | 179.0° | 179.4° |
| C26 | C22 | C21 | H29 | 6.5° | 110.2° |
| C26 | C22 | C21 | H30 | 114.7° | 6.5° |
| C22 | C21 | C20 | N4 | 72.4° | 77.2° |
| C22 | C21 | C20 | H29 | 119.4° | 121.2° |
| C22 | C21 | C20 | H30 | 119.4° | 121.6° |
| C22 | C21 | C20 | H23 | 166.4° | 46.1° |
| C22 | C21 | C20 | H24 | 48.9° | 160.0° |
| C21 | C22 | C26 | H26 | 0.9° | 1.4° |
| C22 | C21 | H29 | H30 | 121.9° | 117.9° |
| C12 | N4 | C13 | C20 | 124.6° | 128.9° |
| N4 | C12 | C11 | H32 | 120.3° | 123.3° |
| N4 | C12 | C11 | H33 | 120.3° | 123.2° |
| C12 | N4 | C20 | C21 | 154.5° | 143.8° |
| N4 | C12 | C11 | N3 | 174.9° | 92.1° |
| C12 | N4 | CU1 | O4 | 158.9° | 66.3° |
| C12 | N4 | CU1 | O3 | 18.8° | 12.4° |
| N4 | C12 | C11 | H14 | 63.6° | 146.2° |
| N4 | C12 | C11 | H15 | 53.5° | 29.4° |
| C12 | N4 | C13 | H16 | 174.3° | 48.6° |
| C12 | N4 | C13 | H17 | 70.2° | 64.4° |
| C12 | N4 | C20 | H23 | 84.2° | 21.3° |
| C12 | N4 | C20 | H24 | 33.3° | 93.6° |
| N4 | C12 | H32 | H33 | 119.1° | 116.2° |
| C13 | N4 | C12 | C11 | 69.6° | 152.8° |
| C13 | N4 | C20 | C21 | 87.0° | 87.8° |
| C13 | N4 | CU1 | O4 | 48.5° | 49.7° |
| C13 | N4 | CU1 | O3 | 129.2° | 103.6° |
| N4 | C13 | H16 | H17 | 112.6° | 113.4° |
| N4 | C13 | C14 | H18 | 153.4° | 167.1° |
| N4 | C13 | C14 | H19 | 90.6° | 50.9° |
| C13 | N4 | C20 | H23 | 34.3° | 149.6° |
| C13 | N4 | C20 | H24 | 151.8° | 34.8° |
| C13 | N4 | C12 | H32 | 50.7° | 30.5° |
| C13 | N4 | C12 | H33 | 170.1° | 84.4° |
| C20 | N4 | C12 | C11 | 47.4° | 77.1° |
| N4 | C20 | C21 | H23 | 121.2° | 123.4° |
| N4 | C20 | C21 | H24 | 121.3° | 122.8° |
| C20 | N4 | CU1 | O4 | 70.7° | 175.0° |
| C20 | N4 | CU1 | O3 | 111.6° | 131.2° |
| C20 | N4 | C13 | H16 | 61.2° | 177.4° |
| C20 | N4 | C13 | H17 | 54.4° | 64.5° |
| N4 | C20 | H23 | H24 | 116.0° | 115.8° |
| N4 | C20 | C21 | H29 | 168.2° | 44.0° |
| N4 | C20 | C21 | H30 | 47.0° | 161.2° |
| C20 | N4 | C12 | H32 | 167.7° | 160.7° |
| C20 | N4 | C12 | H33 | 72.9° | 45.8° |
| C12 | C11 | N3 | C10 | 83.4° | 131.2° |
| C12 | C11 | N3 | H14 | 121.4° | 121.4° |
| C12 | C11 | N3 | H15 | 121.4° | 122.0° |
| C12 | C11 | H14 | H15 | 115.4° | 118.1° |
| C11 | C12 | H32 | H33 | 119.0° | 114.3° |
| C12 | C11 | N3 | H34 | 96.6° | 50.9° |
| C21 | C20 | H23 | H24 | 116.0° | 114.7° |
| C20 | C21 | H29 | H30 | 121.9° | 118.2° |
| O2 | C10 | N3 | C9 | 174.6° | 179.8° |
| O2 | C10 | N3 | C11 | 6.5° | 1.9° |
| O2 | C10 | C9 | C8 | 43.6° | 100.7° |
| O2 | C10 | C9 | H12 | 76.8° | 20.4° |
| O2 | C10 | C9 | H13 | 164.0° | 137.4° |
| O2 | C10 | N3 | H34 | 173.5° | 175.9° |
| C10 | N3 | C11 | H34 | 180.0° | 177.8° |
| N3 | C10 | C9 | C8 | 131.1° | 79.0° |
| N3 | C10 | C9 | H12 | 108.5° | 159.9° |
| N3 | C10 | C9 | H13 | 10.7° | 42.8° |
| C10 | N3 | C11 | H14 | 155.2° | 9.8° |
| C10 | N3 | C11 | H15 | 38.1° | 106.8° |
| C9 | C10 | N3 | C11 | 168.1° | 177.8° |
| C10 | C9 | C8 | H12 | 120.4° | 121.1° |
| C10 | C9 | C8 | H13 | 120.4° | 121.5° |
| C10 | C9 | C8 | C7 | 57.8° | 146.5° |
| C10 | C9 | C8 | H10 | 62.5° | 23.4° |
| C10 | C9 | C8 | H11 | 178.1° | 91.6° |
| C10 | C9 | H12 | H13 | 118.8° | 117.8° |
| C9 | C10 | N3 | H34 | 11.9° | 4.3° |
| N3 | C11 | H14 | H15 | 115.4° | 117.3° |
| N3 | C11 | C12 | H32 | 54.6° | 31.3° |
| N3 | C11 | C12 | H33 | 64.7° | 144.7° |
| C9 | C8 | C7 | H10 | 120.3° | 123.1° |
| C9 | C8 | C7 | H11 | 120.3° | 122.2° |
| C9 | C8 | C7 | C6 | 178.3° | 153.4° |
| C9 | C8 | C7 | H8 | 61.7° | 83.7° |
| C9 | C8 | C7 | H9 | 58.3° | 31.5° |
| C9 | C8 | H10 | H11 | 119.1° | 116.0° |
| C8 | C9 | H12 | H13 | 118.8° | 118.6° |
| C8 | C7 | C6 | H8 | 120.0° | 122.1° |
| C8 | C7 | C6 | H9 | 120.0° | 122.1° |
| C8 | C7 | C6 | C5 | 176.0° | 141.6° |
| C8 | C7 | C6 | H6 | 63.0° | 96.6° |
| C8 | C7 | C6 | H7 | 55.0° | 18.5° |
| C8 | C7 | H8 | H9 | 120.1° | 116.4° |
| C7 | C8 | H10 | H11 | 119.2° | 115.3° |
| C7 | C8 | C9 | H12 | 178.2° | 92.5° |
| C7 | C8 | C9 | H13 | 62.6° | 25.0° |
| C7 | C6 | C5 | H6 | 121.0° | 121.7° |
| C7 | C6 | C5 | H7 | 121.0° | 123.3° |
| C7 | C6 | C5 | C4 | 167.6° | 85.8° |
| C7 | C6 | C5 | S1 | 72.6° | 154.6° |
| C7 | C6 | C5 | H5 | 44.4° | 37.0° |
| C7 | C6 | H6 | H7 | 116.9° | 116.4° |
| C6 | C7 | H8 | H9 | 120.0° | 116.7° |
| C6 | C7 | C8 | H10 | 58.0° | 30.4° |
| C6 | C7 | C8 | H11 | 61.4° | 84.4° |
| C6 | C5 | C4 | S1 | 123.9° | 124.2° |
| C6 | C5 | C4 | H5 | 122.8° | 122.7° |
| C6 | C5 | S1 | H5 | 118.6° | 117.6° |
| C6 | C5 | C4 | N2 | 46.1° | 45.8° |
| C6 | C5 | C4 | C2 | 163.3° | 159.8° |
| C6 | C5 | S1 | C3 | 173.6° | 174.0° |
| C6 | C5 | C4 | H4 | 78.8° | 79.7° |
| C5 | C6 | H6 | H7 | 116.9° | 115.9° |
| C5 | C6 | C7 | H8 | 56.0° | 19.4° |
| C5 | C6 | C7 | H9 | 64.0° | 96.3° |
| C4 | C5 | S1 | H5 | 115.8° | 113.1° |
| C5 | C4 | N2 | C2 | 119.1° | 117.4° |
| C5 | C4 | N2 | H4 | 124.3° | 125.8° |
| C5 | C4 | N2 | C1 | 122.4° | 120.1° |
| C5 | C4 | C2 | H4 | 118.4° | 120.5° |
| C4 | C5 | S1 | C3 | 48.0° | 44.7° |
| C5 | C4 | C2 | C3 | 8.5° | 6.8° |
| C5 | C4 | C2 | N1 | 120.3° | 127.0° |
| C5 | C4 | C2 | H1 | 115.8° | 115.4° |
| C4 | C5 | C6 | H6 | 46.6° | 152.4° |
| C4 | C5 | C6 | H7 | 71.4° | 37.5° |
| C5 | C4 | N2 | H35 | 57.6° | 60.6° |
| S1 | C5 | C4 | N2 | 77.8° | 78.5° |
| S1 | C5 | C4 | C2 | 39.4° | 35.5° |
| C5 | S1 | C3 | C2 | 42.5° | 42.0° |
| C5 | S1 | C3 | H2 | 162.0° | 77.8° |
| C5 | S1 | C3 | H3 | 77.0° | 161.8° |
| S1 | C5 | C4 | H4 | 157.4° | 156.0° |
| S1 | C5 | C6 | H6 | 166.4° | 32.8° |
| S1 | C5 | C6 | H7 | 48.4° | 82.1° |
| C4 | N2 | C1 | H35 | 180.0° | 179.3° |
| N2 | C4 | C2 | H4 | 117.8° | 116.4° |
| C4 | N2 | C1 | O1 | 172.0° | 179.1° |
| C4 | N2 | C1 | N1 | 9.1° | 0.4° |
| N2 | C4 | C2 | C3 | 115.3° | 116.4° |
| N2 | C4 | C2 | N1 | 3.5° | 3.8° |
| N2 | C4 | C2 | H1 | 120.4° | 121.4° |
| N2 | C4 | C5 | H5 | 168.9° | 168.5° |
| C1 | N2 | C4 | C2 | 3.3° | 2.8° |
| N2 | C1 | O1 | N1 | 159.4° | 179.5° |
| N2 | C1 | N1 | C2 | 11.8° | 2.5° |
| C1 | N2 | C4 | H4 | 113.3° | 114.0° |
| N2 | C1 | N1 | H36 | 168.2° | 177.6° |
| C4 | C2 | C3 | S1 | 26.3° | 25.9° |
| C4 | C2 | N1 | C1 | 9.3° | 4.0° |
| C4 | C2 | C3 | N1 | 109.0° | 113.7° |
| C4 | C2 | C3 | H1 | 124.4° | 122.3° |
| C4 | C2 | N1 | H1 | 122.6° | 118.0° |
| C4 | C2 | C3 | H2 | 145.8° | 94.0° |
| C4 | C2 | C3 | H3 | 93.2° | 145.8° |
| C2 | C4 | C5 | H5 | 74.0° | 77.5° |
| C2 | C4 | N2 | H35 | 176.7° | 178.0° |
| C4 | C2 | N1 | H36 | 170.7° | 176.0° |
| S1 | C3 | C2 | H2 | 119.5° | 119.9° |
| S1 | C3 | C2 | H3 | 119.5° | 119.9° |
| S1 | C3 | C2 | N1 | 82.7° | 87.8° |
| S1 | C3 | C2 | H1 | 150.7° | 148.2° |
| S1 | C3 | H2 | H3 | 121.5° | 121.6° |
| C3 | S1 | C5 | H5 | 67.8° | 68.4° |
| O1 | C1 | N1 | C2 | 173.7° | 178.0° |
| O1 | C1 | N2 | H35 | 7.9° | 0.1° |
| O1 | C1 | N1 | H36 | 6.3° | 2.0° |
| C1 | N1 | C2 | C3 | 121.5° | 113.7° |
| C1 | N1 | C2 | H36 | 180.0° | 180.0° |
| C1 | N1 | C2 | H1 | 113.3° | 122.1° |
| N1 | C1 | N2 | H35 | 170.9° | 179.7° |
| C3 | C2 | N1 | H1 | 125.2° | 124.3° |
| C2 | C3 | H2 | H3 | 121.5° | 121.3° |
| C3 | C2 | C4 | H4 | 126.9° | 127.3° |
| C3 | C2 | N1 | H36 | 58.4° | 66.3° |
| N1 | C2 | C3 | H2 | 36.8° | 152.3° |
| N1 | C2 | C3 | H3 | 157.8° | 32.1° |
| N1 | C2 | C4 | H4 | 121.3° | 112.6° |
| O4 | CU1 | O3 | H37 | 103.0° | 124.0° |
| O4 | CU1 | O3 | H38 | 137.0° | 10.3° |
| CU1 | O4 | H39 | H40 | 120.0° | 137.9° |
| CU1 | O3 | H37 | H38 | 120.0° | 140.5° |
| O3 | CU1 | O4 | H39 | 102.3° | 95.9° |
| O3 | CU1 | O4 | H40 | 17.7° | 133.2° |
| H1 | C2 | C3 | H2 | 89.8° | 28.3° |
| H1 | C2 | C3 | H3 | 31.2° | 91.9° |
| H1 | C2 | C4 | H4 | 2.6° | 5.1° |
| H1 | C2 | N1 | H36 | 66.7° | 58.0° |
| H4 | C4 | C5 | H5 | 44.0° | 43.0° |
| H4 | C4 | N2 | H35 | 66.7° | 65.2° |
| H5 | C5 | C6 | H6 | 76.6° | 84.8° |
| H5 | C5 | C6 | H7 | 165.4° | 160.3° |
| H6 | C6 | C7 | H8 | 177.0° | 141.3° |
| H6 | C6 | C7 | H9 | 57.0° | 25.5° |
| H7 | C6 | C7 | H8 | 65.0° | 103.6° |
| H7 | C6 | C7 | H9 | 175.0° | 140.7° |
| H8 | C7 | C8 | H10 | 178.0° | 153.2° |
| H8 | C7 | C8 | H11 | 58.5° | 38.5° |
| H9 | C7 | C8 | H10 | 62.0° | 91.6° |
| H9 | C7 | C8 | H11 | 178.6° | 153.7° |
| H10 | C8 | C9 | H12 | 57.9° | 144.5° |
| H10 | C8 | C9 | H13 | 177.1° | 98.1° |
| H11 | C8 | C9 | H12 | 61.6° | 29.4° |
| H11 | C8 | C9 | H13 | 57.7° | 146.9° |
| H14 | C11 | C12 | H32 | 176.0° | 90.4° |
| H14 | C11 | C12 | H33 | 56.7° | 23.0° |
| H14 | C11 | N3 | H34 | 24.8° | 172.3° |
| H15 | C11 | C12 | H32 | 66.8° | 152.8° |
| H15 | C11 | C12 | H33 | 173.8° | 93.8° |
| H15 | C11 | N3 | H34 | 141.9° | 71.1° |
| H16 | C13 | C14 | H18 | 31.2° | 68.2° |
| H16 | C13 | C14 | H19 | 147.2° | 175.6° |
| H17 | C13 | C14 | H18 | 84.4° | 43.8° |
| H17 | C13 | C14 | H19 | 31.7° | 72.4° |
| H20 | C16 | C17 | H21 | 0.9° | 1.7° |
| H21 | C17 | C18 | H31 | 0.7° | 0.1° |
| H22 | C19 | C18 | H31 | 1.0° | 0.0° |
| H23 | C20 | C21 | H29 | 47.0° | 167.3° |
| H23 | C20 | C21 | H30 | 74.3° | 75.4° |
| H24 | C20 | C21 | H29 | 70.5° | 78.8° |
| H24 | C20 | C21 | H30 | 168.2° | 38.4° |
| H25 | C25 | C26 | H26 | 1.0° | 0.0° |
| H25 | C25 | C24 | H28 | 1.9° | 0.0° |
| H27 | C23 | C24 | H28 | 1.3° | 0.0° |
