J5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C12 | sing | 1.80Å | 1.76Å | |
| C12 | C11 | sing | 1.58Å | 1.53Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| O1 | C13 | sing | 1.44Å | 1.43Å | |
| O1 | C15 | sing | 1.44Å | 1.45Å | |
| C27 | N5 | sing | 1.47Å | 1.51Å | |
| O2 | C7 | doub | 1.22Å | 1.24Å | |
| C21 | N5 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C13 | C10 | sing | 1.55Å | 1.52Å | |
| C15 | C14 | sing | 1.54Å | 1.49Å | |
| N5 | C22 | sing | 1.47Å | 1.47Å | |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| C26 | C24 | sing | 1.53Å | 1.51Å | |
| C2 | C4 | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C1 | sing | 1.48Å | 1.50Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C10 | C14 | sing | 1.54Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.42Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C19 | sing | 1.53Å | 1.49Å | |
| N3 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C18 | doub | 1.30Å | 1.35Å | Aromatic |
| C9 | O3 | doub | 1.21Å | 1.22Å | |
| N4 | C18 | sing | 1.39Å | 1.37Å | |
| N4 | C19 | sing | 1.47Å | 1.45Å | |
| C5 | C16 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | O4 | sing | 1.43Å | 1.45Å | |
| C3 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | doub | 1.35Å | 1.49Å | Aromatic |
| C18 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C17 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C17 | F2 | sing | 1.35Å | 1.41Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.08Å | 1.08Å | |
| C6 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C12 | C11 | 103.3° | 110.9° |
| CL | C12 | C13 | 112.6° | 111.3° |
| CL | C12 | H8 | 111.0° | 110.9° |
| C11 | C12 | C13 | 100.3° | 101.8° |
| C12 | C11 | N2 | 100.4° | 104.5° |
| C12 | C11 | H6 | 111.7° | 110.3° |
| C12 | C11 | H7 | 111.7° | 110.8° |
| C11 | C12 | H8 | 114.4° | 110.9° |
| C12 | C13 | O1 | 110.3° | 108.4° |
| C12 | C13 | C10 | 104.5° | 103.0° |
| C13 | C12 | H8 | 114.4° | 110.7° |
| C12 | C13 | H9 | 112.0° | 113.1° |
| C11 | N2 | C10 | 109.5° | 108.8° |
| C11 | N2 | C9 | 126.1° | 125.6° |
| N2 | C11 | H6 | 111.7° | 110.4° |
| N2 | C11 | H7 | 111.7° | 110.4° |
| C13 | O1 | C15 | 112.8° | 105.6° |
| O1 | C13 | C10 | 103.8° | 104.8° |
| O1 | C13 | H9 | 113.5° | 113.6° |
| O1 | C15 | C14 | 104.5° | 104.8° |
| O1 | C15 | H11 | 110.7° | 110.4° |
| O1 | C15 | H12 | 110.7° | 110.5° |
| C27 | N5 | C21 | 109.0° | 111.0° |
| C27 | N5 | C22 | 107.4° | 111.0° |
| N5 | C27 | H22 | 109.5° | 109.5° |
| N5 | C27 | H23 | 109.5° | 109.4° |
| N5 | C27 | H24 | 109.4° | 109.4° |
| O2 | C7 | C1 | 118.4° | 120.0° |
| O2 | C7 | N1 | 120.6° | 120.0° |
| N5 | C21 | C20 | 113.3° | 109.3° |
| C21 | N5 | C22 | 107.0° | 110.9° |
| N5 | C21 | H17 | 108.5° | 109.5° |
| N5 | C21 | H18 | 108.5° | 109.5° |
| C21 | C20 | N4 | 111.0° | 109.4° |
| C21 | C20 | H15 | 109.1° | 109.5° |
| C21 | C20 | H16 | 109.1° | 109.5° |
| C20 | C21 | H17 | 108.5° | 109.5° |
| C20 | C21 | H18 | 108.5° | 109.5° |
| C13 | C10 | N2 | 103.6° | 107.9° |
| C13 | C10 | C14 | 105.0° | 104.0° |
| C13 | C10 | H5 | 110.8° | 111.8° |
| C10 | C13 | H9 | 112.1° | 113.2° |
| C15 | C14 | C10 | 102.0° | 104.2° |
| C15 | C14 | O4 | 109.0° | 110.5° |
| C15 | C14 | H10 | 111.1° | 110.6° |
| C14 | C15 | H11 | 110.7° | 110.4° |
| C14 | C15 | H12 | 110.7° | 110.4° |
| N5 | C22 | C19 | 113.1° | 109.4° |
| N5 | C22 | H19 | 108.6° | 109.4° |
| N5 | C22 | H20 | 108.5° | 109.5° |
| C20 | N4 | C18 | 119.0° | 111.1° |
| C20 | N4 | C19 | 120.8° | 110.8° |
| N4 | C20 | H15 | 109.1° | 109.5° |
| N4 | C20 | H16 | 109.1° | 109.4° |
| C26 | C24 | C23 | 108.3° | 109.4° |
| C26 | C24 | C25 | 115.2° | 109.5° |
| C26 | C24 | H21 | 107.5° | 109.5° |
| C24 | C26 | H31 | 109.5° | 109.5° |
| C24 | C26 | H32 | 109.5° | 109.5° |
| C24 | C26 | H33 | 109.5° | 109.5° |
| C4 | C2 | C1 | 121.8° | 120.0° |
| C2 | C4 | C5 | 119.3° | 120.0° |
| C4 | C2 | H1 | 119.1° | 119.9° |
| C2 | C4 | H26 | 120.4° | 120.0° |
| C2 | C1 | C7 | 118.0° | 120.0° |
| C2 | C1 | C3 | 118.9° | 120.0° |
| C1 | C2 | H1 | 119.1° | 120.1° |
| C1 | C7 | N1 | 120.2° | 120.0° |
| C7 | C1 | C3 | 123.1° | 120.0° |
| C7 | N1 | C8 | 119.9° | 119.9° |
| C7 | N1 | H28 | 120.0° | 120.0° |
| C10 | N2 | C9 | 123.5° | 125.5° |
| N2 | C10 | C14 | 115.1° | 109.3° |
| N2 | C10 | H5 | 111.4° | 111.7° |
| N2 | C9 | C8 | 120.3° | 119.9° |
| N2 | C9 | O3 | 121.1° | 120.1° |
| C4 | C5 | C16 | 118.0° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.1° |
| C5 | C4 | H26 | 120.3° | 120.0° |
| C1 | C3 | C6 | 120.6° | 120.0° |
| C1 | C3 | H2 | 119.7° | 120.0° |
| C10 | C14 | O4 | 112.1° | 110.5° |
| C14 | C10 | H5 | 110.5° | 111.7° |
| C10 | C14 | H10 | 110.4° | 110.5° |
| N1 | C8 | C9 | 110.0° | 109.4° |
| N1 | C8 | C23 | 111.1° | 109.5° |
| N1 | C8 | H4 | 110.9° | 109.5° |
| C8 | N1 | H28 | 120.0° | 120.0° |
| C9 | C8 | C23 | 105.6° | 109.5° |
| C8 | C9 | O3 | 118.6° | 120.0° |
| C9 | C8 | H4 | 109.5° | 109.5° |
| C8 | C23 | C24 | 113.9° | 109.5° |
| C23 | C8 | H4 | 109.5° | 109.5° |
| C8 | C23 | H29 | 108.3° | 109.5° |
| C8 | C23 | H30 | 108.3° | 109.5° |
| C22 | C19 | N4 | 106.0° | 109.4° |
| C22 | C19 | H13 | 110.3° | 109.4° |
| C22 | C19 | H14 | 110.3° | 109.5° |
| C19 | C22 | H19 | 108.5° | 109.5° |
| C19 | C22 | H20 | 108.6° | 109.5° |
| C16 | N3 | C18 | 111.4° | 116.9° |
| N3 | C16 | C5 | 125.1° | 122.4° |
| N3 | C16 | C17 | 111.0° | 115.2° |
| N3 | C18 | N4 | 120.4° | 125.3° |
| N3 | C18 | S1 | 117.6° | 109.6° |
| C18 | N4 | C19 | 119.4° | 111.0° |
| N4 | C18 | S1 | 121.8° | 125.2° |
| N4 | C19 | H13 | 110.4° | 109.5° |
| N4 | C19 | H14 | 110.3° | 109.5° |
| C16 | C5 | C6 | 122.4° | 119.9° |
| C5 | C16 | C17 | 123.3° | 122.4° |
| C5 | C6 | C3 | 120.1° | 120.0° |
| C5 | C6 | H27 | 119.9° | 120.0° |
| C14 | O4 | H3 | 109.5° | 114.0° |
| O4 | C14 | H10 | 111.8° | 110.4° |
| C6 | C3 | H2 | 119.7° | 120.0° |
| C3 | C6 | H27 | 120.0° | 120.0° |
| C23 | C24 | C25 | 110.7° | 109.4° |
| C23 | C24 | H21 | 107.6° | 109.5° |
| C24 | C23 | H29 | 108.3° | 109.5° |
| C24 | C23 | H30 | 108.4° | 109.4° |
| C25 | C24 | H21 | 107.3° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C24 | C25 | H35 | 109.5° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C16 | C17 | S1 | 112.7° | 108.2° |
| C16 | C17 | F2 | 125.6° | 125.9° |
| C18 | S1 | C17 | 87.0° | 90.2° |
| S1 | C17 | F2 | 121.7° | 125.8° |
| H6 | C11 | H7 | 109.5° | 110.3° |
| H11 | C15 | H12 | 109.4° | 110.3° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H22 | C27 | H24 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.4° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H31 | C26 | H33 | 109.5° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.5° | 109.4° |
| H35 | C25 | H36 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C12 | C11 | C13 | 116.3° | 118.6° |
| CL | C12 | C11 | H8 | 120.7° | 123.6° |
| CL | C12 | C13 | H8 | 127.9° | 123.8° |
| CL | C12 | C11 | N2 | 161.9° | 155.2° |
| CL | C12 | C13 | O1 | 36.8° | 41.4° |
| CL | C12 | C13 | C10 | 147.7° | 152.0° |
| CL | C12 | C11 | H6 | 43.4° | 36.6° |
| CL | C12 | C11 | H7 | 79.6° | 85.9° |
| CL | C12 | C13 | H9 | 90.7° | 85.5° |
| C11 | C12 | C13 | H8 | 122.9° | 118.0° |
| C12 | C11 | N2 | H6 | 118.5° | 118.6° |
| C12 | C11 | N2 | H7 | 118.5° | 119.2° |
| C11 | C12 | C13 | O1 | 72.4° | 76.9° |
| C11 | C12 | C13 | C10 | 38.6° | 33.7° |
| C12 | C11 | N2 | C10 | 37.4° | 25.1° |
| C12 | C11 | N2 | C9 | 131.8° | 154.7° |
| C12 | C11 | H6 | H7 | 124.2° | 122.8° |
| C11 | C12 | C13 | H9 | 160.2° | 156.2° |
| C13 | C12 | C11 | N2 | 45.6° | 36.7° |
| C12 | C13 | O1 | C10 | 111.5° | 109.4° |
| C12 | C13 | O1 | H9 | 126.6° | 126.6° |
| C12 | C13 | O1 | C15 | 113.5° | 149.1° |
| C12 | C13 | C10 | H9 | 121.5° | 122.4° |
| C12 | C13 | C10 | N2 | 16.7° | 20.0° |
| C12 | C13 | C10 | C14 | 137.9° | 136.0° |
| C12 | C13 | C10 | H5 | 102.9° | 103.2° |
| C13 | C12 | C11 | H6 | 72.9° | 82.0° |
| C13 | C12 | C11 | H7 | 164.1° | 155.5° |
| C11 | N2 | C10 | C13 | 13.2° | 3.4° |
| C11 | N2 | C10 | C9 | 169.5° | 179.8° |
| C11 | N2 | C10 | C14 | 100.9° | 109.2° |
| C11 | N2 | C9 | C8 | 21.7° | 4.1° |
| C11 | N2 | C9 | O3 | 158.0° | 175.9° |
| C11 | N2 | C10 | H5 | 132.3° | 126.7° |
| N2 | C11 | H6 | H7 | 124.2° | 122.2° |
| N2 | C11 | C12 | H8 | 77.3° | 81.1° |
| O1 | C13 | C10 | H9 | 122.8° | 124.3° |
| C13 | O1 | C15 | C14 | 19.6° | 40.5° |
| O1 | C13 | C10 | N2 | 98.9° | 93.3° |
| O1 | C13 | C10 | C14 | 22.2° | 22.7° |
| O1 | C13 | C10 | H5 | 141.5° | 143.5° |
| O1 | C13 | C12 | H8 | 164.7° | 165.1° |
| C13 | O1 | C15 | H11 | 138.8° | 159.4° |
| C13 | O1 | C15 | H12 | 99.7° | 78.4° |
| C15 | O1 | C13 | C10 | 2.1° | 39.7° |
| O1 | C15 | C14 | H11 | 119.2° | 118.8° |
| O1 | C15 | C14 | H12 | 119.2° | 119.0° |
| O1 | C15 | C14 | C10 | 31.8° | 24.6° |
| O1 | C15 | C14 | O4 | 86.9° | 143.3° |
| C15 | O1 | C13 | H9 | 119.8° | 84.3° |
| O1 | C15 | C14 | H10 | 149.5° | 94.1° |
| O1 | C15 | H11 | H12 | 122.3° | 122.3° |
| C27 | N5 | C21 | C22 | 115.8° | 123.9° |
| C27 | N5 | C21 | C20 | 173.2° | 176.8° |
| C27 | N5 | C22 | C19 | 178.0° | 176.8° |
| C27 | N5 | C21 | H17 | 66.2° | 63.3° |
| C27 | N5 | C21 | H18 | 52.6° | 56.8° |
| C27 | N5 | C22 | H19 | 61.4° | 56.8° |
| C27 | N5 | C22 | H20 | 57.5° | 63.2° |
| N5 | C27 | H22 | H23 | 120.0° | 120.0° |
| N5 | C27 | H22 | H24 | 120.0° | 120.0° |
| N5 | C27 | H23 | H24 | 120.0° | 120.0° |
| O2 | C7 | C1 | C2 | 18.9° | 179.7° |
| O2 | C7 | C1 | N1 | 170.2° | 180.0° |
| O2 | C7 | C1 | C3 | 164.1° | 0.0° |
| O2 | C7 | N1 | C8 | 9.5° | 5.1° |
| O2 | C7 | N1 | H28 | 170.5° | 174.9° |
| N5 | C21 | C20 | H17 | 120.6° | 119.9° |
| N5 | C21 | C20 | H18 | 120.6° | 120.0° |
| N5 | C21 | C20 | N4 | 45.9° | 58.4° |
| C21 | N5 | C22 | C19 | 65.0° | 59.3° |
| N5 | C21 | C20 | H15 | 74.4° | 61.6° |
| N5 | C21 | C20 | H16 | 166.1° | 178.4° |
| N5 | C21 | H17 | H18 | 118.3° | 120.1° |
| C21 | N5 | C22 | H19 | 55.5° | 179.3° |
| C21 | N5 | C22 | H20 | 174.4° | 60.7° |
| C21 | N5 | C27 | H22 | 180.0° | 60.0° |
| C21 | N5 | C27 | H23 | 60.0° | 179.9° |
| C21 | N5 | C27 | H24 | 60.0° | 60.1° |
| C20 | C21 | N5 | C22 | 57.4° | 59.3° |
| C21 | C20 | N4 | H15 | 120.2° | 120.0° |
| C21 | C20 | N4 | H16 | 120.3° | 120.0° |
| C21 | C20 | N4 | C18 | 147.7° | 176.8° |
| C21 | C20 | N4 | C19 | 42.4° | 59.3° |
| C21 | C20 | H15 | H16 | 119.3° | 120.1° |
| C20 | C21 | H17 | H18 | 118.3° | 120.1° |
| C13 | C10 | C14 | C15 | 33.6° | 1.1° |
| C13 | C10 | N2 | C14 | 114.1° | 112.5° |
| C13 | C10 | N2 | H5 | 119.1° | 123.3° |
| C13 | C10 | N2 | C9 | 156.3° | 176.4° |
| C13 | C10 | C14 | H5 | 119.5° | 120.8° |
| C13 | C10 | C14 | O4 | 82.8° | 119.8° |
| C10 | C13 | C12 | H8 | 84.3° | 84.2° |
| C13 | C10 | C14 | H10 | 151.8° | 117.7° |
| C15 | C14 | C10 | N2 | 79.7° | 116.2° |
| C15 | C14 | C10 | O4 | 116.5° | 118.7° |
| C15 | C14 | C10 | H10 | 118.2° | 118.8° |
| C15 | C14 | O4 | H10 | 123.2° | 122.7° |
| C15 | C14 | O4 | H3 | 180.0° | 65.2° |
| C15 | C14 | C10 | H5 | 153.1° | 119.7° |
| C14 | C15 | H11 | H12 | 122.3° | 122.3° |
| N5 | C22 | C19 | H19 | 120.6° | 119.9° |
| N5 | C22 | C19 | H20 | 120.5° | 120.0° |
| N5 | C22 | C19 | N4 | 57.7° | 58.4° |
| N5 | C22 | C19 | H13 | 177.2° | 178.4° |
| N5 | C22 | C19 | H14 | 61.8° | 61.6° |
| C22 | N5 | C21 | H17 | 177.9° | 60.6° |
| C22 | N5 | C21 | H18 | 63.2° | 179.3° |
| N5 | C22 | H19 | H20 | 118.3° | 120.0° |
| C22 | N5 | C27 | H22 | 64.4° | 176.2° |
| C22 | N5 | C27 | H23 | 55.7° | 56.2° |
| C22 | N5 | C27 | H24 | 175.6° | 63.8° |
| C20 | N4 | C19 | C22 | 46.8° | 59.3° |
| C20 | N4 | C18 | N3 | 4.1° | 180.0° |
| C20 | N4 | C18 | C19 | 170.1° | 123.8° |
| C20 | N4 | C18 | S1 | 170.6° | 0.0° |
| C20 | N4 | C19 | H13 | 166.3° | 179.2° |
| C20 | N4 | C19 | H14 | 72.6° | 60.7° |
| N4 | C20 | H15 | H16 | 119.3° | 120.0° |
| N4 | C20 | C21 | H17 | 166.4° | 61.5° |
| N4 | C20 | C21 | H18 | 74.7° | 178.4° |
| C26 | C24 | C23 | C8 | 70.6° | 68.1° |
| C26 | C24 | C23 | C25 | 127.2° | 120.0° |
| C26 | C24 | C23 | H21 | 115.9° | 120.0° |
| C26 | C24 | C25 | H21 | 119.7° | 120.1° |
| C26 | C24 | C23 | H29 | 168.8° | 51.9° |
| C26 | C24 | C23 | H30 | 50.1° | 171.9° |
| C24 | C26 | H31 | H32 | 120.0° | 120.0° |
| C24 | C26 | H31 | H33 | 120.0° | 120.0° |
| C24 | C26 | H32 | H33 | 120.0° | 120.0° |
| C26 | C24 | C25 | H34 | 180.0° | 180.0° |
| C26 | C24 | C25 | H35 | 60.0° | 60.0° |
| C26 | C24 | C25 | H36 | 60.0° | 60.0° |
| C4 | C2 | C1 | H1 | 180.0° | 179.9° |
| C4 | C2 | C1 | C7 | 179.6° | 179.7° |
| C2 | C4 | C5 | H26 | 180.0° | 180.0° |
| C4 | C2 | C1 | C3 | 2.5° | 0.0° |
| C2 | C4 | C5 | C16 | 176.1° | 180.0° |
| C2 | C4 | C5 | C6 | 1.8° | 0.0° |
| C2 | C1 | C7 | C3 | 177.0° | 179.7° |
| C2 | C1 | C7 | N1 | 151.3° | 0.3° |
| C1 | C2 | C4 | C5 | 0.6° | 0.0° |
| C2 | C1 | C3 | C6 | 2.0° | 0.0° |
| C2 | C1 | C3 | H2 | 178.0° | 180.0° |
| C1 | C2 | C4 | H26 | 179.4° | 180.0° |
| C1 | C7 | N1 | C8 | 160.5° | 174.9° |
| C7 | C1 | C3 | C6 | 179.0° | 179.7° |
| C7 | C1 | C2 | H1 | 0.4° | 0.3° |
| C7 | C1 | C3 | H2 | 1.0° | 0.3° |
| C1 | C7 | N1 | H28 | 19.5° | 5.1° |
| N1 | C7 | C1 | C3 | 25.7° | 180.0° |
| C7 | N1 | C8 | H28 | 180.0° | 180.0° |
| C7 | N1 | C8 | C9 | 67.7° | 152.7° |
| C7 | N1 | C8 | C23 | 175.7° | 87.4° |
| C7 | N1 | C8 | H4 | 53.6° | 32.6° |
| N2 | C10 | C14 | H5 | 127.2° | 124.1° |
| C10 | N2 | C9 | C8 | 170.6° | 175.7° |
| C10 | N2 | C9 | O3 | 9.7° | 4.3° |
| N2 | C10 | C14 | O4 | 163.9° | 125.2° |
| C10 | N2 | C11 | H6 | 81.1° | 93.5° |
| C10 | N2 | C11 | H7 | 155.9° | 144.3° |
| N2 | C10 | C13 | H9 | 138.2° | 142.4° |
| N2 | C10 | C14 | H10 | 38.5° | 2.6° |
| C9 | N2 | C10 | C14 | 89.6° | 71.0° |
| N2 | C9 | C8 | N1 | 125.7° | 173.6° |
| N2 | C9 | C8 | O3 | 179.7° | 180.0° |
| N2 | C9 | C8 | C23 | 114.3° | 66.5° |
| N2 | C9 | C8 | H4 | 3.6° | 53.5° |
| C9 | N2 | C10 | H5 | 37.2° | 53.1° |
| C9 | N2 | C11 | H6 | 109.7° | 86.7° |
| C9 | N2 | C11 | H7 | 13.3° | 35.5° |
| C4 | C5 | C16 | N3 | 18.3° | 35.3° |
| C4 | C5 | C16 | C6 | 174.1° | 180.0° |
| C4 | C5 | C6 | C3 | 2.3° | 0.1° |
| C4 | C5 | C16 | C17 | 152.5° | 145.0° |
| C5 | C4 | C2 | H1 | 179.4° | 179.9° |
| C4 | C5 | C6 | H27 | 177.7° | 180.0° |
| C1 | C3 | C6 | C5 | 0.3° | 0.1° |
| C1 | C3 | C6 | H2 | 180.0° | 180.0° |
| C3 | C1 | C2 | H1 | 177.5° | 180.0° |
| C1 | C3 | C6 | H27 | 179.7° | 180.0° |
| C10 | C14 | O4 | H10 | 124.6° | 122.6° |
| C10 | C14 | O4 | H3 | 67.8° | 180.0° |
| C14 | C10 | C13 | H9 | 100.6° | 101.5° |
| C10 | C14 | C15 | H11 | 151.0° | 143.4° |
| C10 | C14 | C15 | H12 | 87.4° | 94.4° |
| N1 | C8 | C9 | C23 | 120.0° | 119.9° |
| N1 | C8 | C9 | H4 | 122.1° | 120.0° |
| N1 | C8 | C23 | H4 | 122.9° | 120.0° |
| N1 | C8 | C9 | O3 | 53.9° | 6.4° |
| N1 | C8 | C23 | C24 | 60.4° | 54.7° |
| N1 | C8 | C23 | H29 | 60.2° | 174.7° |
| N1 | C8 | C23 | H30 | 178.9° | 65.3° |
| C9 | C8 | C23 | H4 | 117.9° | 120.1° |
| C9 | C8 | C23 | C24 | 179.6° | 65.2° |
| C9 | C8 | N1 | H28 | 112.3° | 27.3° |
| C9 | C8 | C23 | H29 | 59.0° | 54.8° |
| C9 | C8 | C23 | H30 | 59.7° | 174.8° |
| C23 | C8 | C9 | O3 | 66.0° | 113.5° |
| C8 | C23 | C24 | H29 | 120.6° | 120.0° |
| C8 | C23 | C24 | H30 | 120.6° | 120.0° |
| C8 | C23 | C24 | C25 | 162.3° | 171.9° |
| C8 | C23 | C24 | H21 | 45.4° | 51.9° |
| C23 | C8 | N1 | H28 | 4.3° | 92.6° |
| C8 | C23 | H29 | H30 | 117.9° | 120.0° |
| C22 | C19 | N4 | C18 | 143.3° | 176.8° |
| C22 | C19 | N4 | H13 | 119.5° | 119.9° |
| C22 | C19 | N4 | H14 | 119.5° | 120.0° |
| C22 | C19 | H13 | H14 | 121.6° | 120.1° |
| C19 | C22 | H19 | H20 | 118.4° | 120.1° |
| C16 | N3 | C18 | N4 | 178.1° | 180.0° |
| N3 | C16 | C5 | C17 | 170.7° | 179.8° |
| N3 | C16 | C5 | C6 | 167.6° | 144.8° |
| C16 | N3 | C18 | S1 | 7.0° | 0.0° |
| N3 | C16 | C17 | S1 | 4.1° | 0.0° |
| N3 | C16 | C17 | F2 | 177.3° | 180.0° |
| N3 | C18 | N4 | S1 | 174.7° | 180.0° |
| N3 | C18 | N4 | C19 | 174.1° | 56.2° |
| C18 | N3 | C16 | C5 | 178.4° | 179.8° |
| C18 | N3 | C16 | C17 | 6.7° | 0.0° |
| N3 | C18 | S1 | C17 | 3.8° | 0.0° |
| O3 | C9 | C8 | H4 | 176.1° | 126.4° |
| N4 | C18 | S1 | C17 | 178.6° | 180.0° |
| C18 | N4 | C19 | H13 | 23.8° | 56.9° |
| C18 | N4 | C19 | H14 | 97.3° | 63.2° |
| C18 | N4 | C20 | H15 | 92.1° | 63.2° |
| C18 | N4 | C20 | H16 | 27.4° | 56.8° |
| C19 | N4 | C18 | S1 | 0.6° | 123.8° |
| N4 | C19 | H13 | H14 | 121.6° | 120.0° |
| C19 | N4 | C20 | H15 | 77.8° | 60.7° |
| C19 | N4 | C20 | H16 | 162.7° | 179.4° |
| N4 | C19 | C22 | H19 | 62.9° | 178.3° |
| N4 | C19 | C22 | H20 | 178.2° | 61.6° |
| C16 | C5 | C6 | C3 | 176.3° | 180.0° |
| C5 | C16 | C17 | S1 | 176.0° | 179.8° |
| C5 | C16 | C17 | F2 | 5.4° | 0.2° |
| C16 | C5 | C4 | H26 | 3.9° | 0.0° |
| C16 | C5 | C6 | H27 | 3.7° | 0.0° |
| C5 | C6 | C3 | H27 | 180.0° | 179.9° |
| C6 | C5 | C16 | C17 | 21.6° | 35.0° |
| C5 | C6 | C3 | H2 | 179.7° | 180.0° |
| C6 | C5 | C4 | H26 | 178.2° | 179.9° |
| O4 | C14 | C10 | H5 | 36.7° | 1.1° |
| O4 | C14 | C15 | H11 | 32.3° | 97.9° |
| O4 | C14 | C15 | H12 | 153.9° | 24.3° |
| C23 | C24 | C25 | H21 | 117.1° | 120.0° |
| C24 | C23 | C8 | H4 | 62.5° | 174.7° |
| C24 | C23 | H29 | H30 | 118.0° | 120.0° |
| C23 | C24 | C26 | H31 | 180.0° | 164.3° |
| C23 | C24 | C26 | H32 | 60.0° | 75.8° |
| C23 | C24 | C26 | H33 | 60.0° | 44.3° |
| C23 | C24 | C25 | H34 | 56.7° | 60.0° |
| C23 | C24 | C25 | H35 | 63.3° | 180.0° |
| C23 | C24 | C25 | H36 | 176.7° | 60.0° |
| C25 | C24 | C23 | H29 | 41.6° | 68.1° |
| C25 | C24 | C23 | H30 | 77.1° | 51.9° |
| C25 | C24 | C26 | H31 | 55.5° | 44.3° |
| C25 | C24 | C26 | H32 | 64.5° | 164.3° |
| C25 | C24 | C26 | H33 | 175.5° | 75.7° |
| C24 | C25 | H34 | H35 | 120.0° | 120.0° |
| C24 | C25 | H34 | H36 | 120.0° | 120.1° |
| C24 | C25 | H35 | H36 | 120.0° | 120.0° |
| C16 | C17 | S1 | C18 | 0.3° | 0.0° |
| C16 | C17 | S1 | F2 | 178.6° | 180.0° |
| C18 | S1 | C17 | F2 | 178.9° | 180.0° |
| H1 | C2 | C4 | H26 | 0.6° | 0.1° |
| H2 | C3 | C6 | H27 | 0.3° | 0.0° |
| H3 | O4 | C14 | H10 | 56.8° | 57.4° |
| H4 | C8 | N1 | H28 | 126.4° | 147.4° |
| H4 | C8 | C23 | H29 | 176.9° | 65.3° |
| H4 | C8 | C23 | H30 | 58.2° | 54.8° |
| H5 | C10 | C13 | H9 | 18.7° | 19.2° |
| H5 | C10 | C14 | H10 | 88.7° | 121.5° |
| H6 | C11 | C12 | H8 | 164.1° | 160.2° |
| H7 | C11 | C12 | H8 | 41.2° | 37.7° |
| H8 | C12 | C13 | H9 | 37.3° | 38.3° |
| H10 | C14 | C15 | H11 | 91.3° | 24.7° |
| H10 | C14 | C15 | H12 | 30.3° | 146.9° |
| H13 | C19 | C22 | H19 | 56.6° | 61.7° |
| H13 | C19 | C22 | H20 | 62.3° | 58.3° |
| H14 | C19 | C22 | H19 | 177.6° | 58.3° |
| H14 | C19 | C22 | H20 | 58.7° | 178.4° |
| H15 | C20 | C21 | H17 | 46.2° | 178.5° |
| H15 | C20 | C21 | H18 | 165.1° | 58.4° |
| H16 | C20 | C21 | H17 | 73.3° | 58.4° |
| H16 | C20 | C21 | H18 | 45.5° | 61.7° |
| H21 | C24 | C23 | H29 | 75.3° | 171.9° |
| H21 | C24 | C23 | H30 | 166.0° | 68.1° |
| H21 | C24 | C26 | H31 | 64.1° | 75.7° |
| H21 | C24 | C26 | H32 | 175.9° | 44.2° |
| H21 | C24 | C26 | H33 | 56.0° | 164.3° |
| H21 | C24 | C25 | H34 | 60.3° | 59.9° |
| H21 | C24 | C25 | H35 | 179.6° | 60.1° |
| H21 | C24 | C25 | H36 | 59.7° | 180.0° |
| H22 | C27 | H23 | H24 | 120.0° | 120.1° |
| H31 | C26 | H32 | H33 | 120.0° | 120.0° |
| H34 | C25 | H35 | H36 | 120.0° | 119.9° |
