NJ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C8 | sing | 1.74Å | 1.76Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C10 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.38Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C4 | sing | 1.53Å | 1.52Å | |
| C24 | O3 | sing | 1.43Å | 1.43Å | |
| N1 | C4 | sing | 1.46Å | 1.47Å | |
| C4 | C11 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O3 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C14 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C19 | N3 | sing | 1.47Å | 1.45Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | C22 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C21 | C14 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| O2 | C17 | doub | 1.21Å | 1.22Å | |
| N3 | C17 | sing | 1.35Å | 1.33Å | |
| N3 | C16 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | CL1 | sing | 1.80Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H31 | sing | 1.09Å | 1.10Å | |
| N1 | H32 | sing | 0.97Å | 1.00Å | |
| C10 | H33 | sing | 1.08Å | 1.08Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C8 | C9 | 118.5° | 119.9° |
| CL2 | C8 | C7 | 119.3° | 120.0° |
| C9 | C8 | C7 | 122.1° | 120.1° |
| C8 | C9 | C10 | 119.7° | 120.1° |
| C8 | C9 | H34 | 120.2° | 120.0° |
| C8 | C7 | C6 | 118.1° | 120.0° |
| C8 | C7 | H35 | 120.9° | 119.9° |
| C9 | C10 | C5 | 120.3° | 119.9° |
| C9 | C10 | H33 | 119.9° | 120.0° |
| C10 | C9 | H34 | 120.1° | 120.0° |
| C7 | C6 | C5 | 121.7° | 120.0° |
| C6 | C7 | H35 | 120.9° | 120.0° |
| C7 | C6 | H36 | 119.1° | 120.0° |
| C25 | C24 | C23 | 110.3° | 109.5° |
| C25 | C24 | O3 | 108.2° | 109.5° |
| C25 | C24 | H24 | 109.1° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C10 | C5 | C6 | 118.0° | 119.9° |
| C10 | C5 | N1 | 124.7° | 120.1° |
| C5 | C10 | H33 | 119.9° | 120.0° |
| C6 | C5 | N1 | 117.3° | 120.1° |
| C5 | C6 | H36 | 119.2° | 120.0° |
| C5 | N1 | C4 | 124.8° | 120.0° |
| C5 | N1 | H32 | 105.5° | 120.0° |
| C24 | C23 | C4 | 115.2° | 109.2° |
| C23 | C24 | O3 | 109.7° | 109.4° |
| C24 | C23 | H22 | 108.0° | 109.5° |
| C24 | C23 | H23 | 108.0° | 109.5° |
| C23 | C24 | H24 | 109.0° | 109.5° |
| C23 | C4 | N1 | 109.5° | 109.6° |
| C23 | C4 | C11 | 110.1° | 109.5° |
| C23 | C4 | C3 | 108.6° | 109.0° |
| C4 | C23 | H22 | 108.0° | 109.5° |
| C4 | C23 | H23 | 108.0° | 109.5° |
| C24 | O3 | C2 | 112.9° | 114.1° |
| O3 | C24 | H24 | 110.5° | 109.4° |
| N1 | C4 | C11 | 111.9° | 109.6° |
| N1 | C4 | C3 | 108.7° | 109.5° |
| C4 | N1 | H32 | 105.5° | 120.0° |
| C11 | C4 | C3 | 107.9° | 109.6° |
| C4 | C11 | O1 | 119.0° | 120.0° |
| C4 | C11 | N2 | 122.9° | 120.0° |
| C4 | C3 | C2 | 112.7° | 109.2° |
| C4 | C3 | H20 | 108.6° | 109.5° |
| C4 | C3 | H21 | 108.7° | 109.6° |
| O3 | C2 | C3 | 109.1° | 109.4° |
| O3 | C2 | C1 | 109.8° | 109.5° |
| O3 | C2 | H28 | 109.5° | 109.4° |
| O1 | C11 | N2 | 118.1° | 120.0° |
| C11 | N2 | C12 | 127.6° | 120.6° |
| C11 | N2 | C22 | 120.3° | 120.7° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C2 | C3 | H20 | 108.6° | 109.5° |
| C2 | C3 | H21 | 108.6° | 109.5° |
| C3 | C2 | H28 | 108.1° | 109.5° |
| C19 | C20 | C14 | 113.3° | 109.4° |
| C20 | C19 | N3 | 103.1° | 108.8° |
| C20 | C19 | H8 | 111.0° | 109.6° |
| C20 | C19 | H9 | 111.0° | 109.8° |
| C19 | C20 | H10 | 108.5° | 109.5° |
| C19 | C20 | H11 | 108.5° | 109.5° |
| C20 | C14 | C13 | 110.1° | 109.4° |
| C20 | C14 | C21 | 106.3° | 109.5° |
| C20 | C14 | C15 | 108.9° | 109.4° |
| C14 | C20 | H10 | 108.5° | 109.6° |
| C14 | C20 | H11 | 108.5° | 109.4° |
| C1 | C2 | H28 | 108.1° | 109.5° |
| C2 | C1 | H29 | 109.5° | 109.5° |
| C2 | C1 | H30 | 109.5° | 109.5° |
| C2 | C1 | H31 | 109.5° | 109.5° |
| C19 | N3 | C17 | 120.3° | 120.6° |
| C19 | N3 | C16 | 114.4° | 118.7° |
| N3 | C19 | H8 | 111.0° | 109.5° |
| N3 | C19 | H9 | 111.0° | 109.5° |
| C12 | N2 | C22 | 112.1° | 118.7° |
| N2 | C12 | C13 | 109.6° | 108.8° |
| N2 | C12 | H14 | 109.5° | 109.5° |
| N2 | C12 | H15 | 109.5° | 109.7° |
| N2 | C22 | C21 | 106.3° | 108.8° |
| N2 | C22 | H18 | 110.3° | 109.6° |
| N2 | C22 | H19 | 110.3° | 109.7° |
| C14 | C13 | C12 | 114.8° | 109.3° |
| C13 | C14 | C21 | 109.7° | 109.6° |
| C13 | C14 | C15 | 112.3° | 109.3° |
| C14 | C13 | H12 | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C12 | C13 | H12 | 108.1° | 109.5° |
| C12 | C13 | H13 | 108.1° | 109.5° |
| C13 | C12 | H14 | 109.4° | 109.6° |
| C13 | C12 | H15 | 109.4° | 109.6° |
| C14 | C21 | C22 | 115.0° | 109.3° |
| C21 | C14 | C15 | 109.4° | 109.7° |
| C14 | C21 | H16 | 108.1° | 109.5° |
| C14 | C21 | H17 | 108.0° | 109.5° |
| C22 | C21 | H16 | 108.1° | 109.5° |
| C22 | C21 | H17 | 108.1° | 109.4° |
| C21 | C22 | H18 | 110.3° | 109.6° |
| C21 | C22 | H19 | 110.3° | 109.6° |
| C14 | C15 | C16 | 111.5° | 109.4° |
| C14 | C15 | H6 | 109.0° | 109.5° |
| C14 | C15 | H7 | 109.0° | 109.5° |
| O2 | C17 | N3 | 122.1° | 120.0° |
| O2 | C17 | C18 | 121.4° | 120.0° |
| C17 | N3 | C16 | 125.2° | 120.7° |
| N3 | C17 | C18 | 116.5° | 120.0° |
| N3 | C16 | C15 | 108.8° | 108.7° |
| N3 | C16 | H4 | 109.6° | 109.6° |
| N3 | C16 | H5 | 109.7° | 109.6° |
| C17 | C18 | H1 | 109.5° | 109.5° |
| C17 | C18 | H2 | 109.5° | 109.5° |
| C17 | C18 | CL1 | 109.5° | 109.5° |
| C15 | C16 | H4 | 109.6° | 109.6° |
| C15 | C16 | H5 | 109.6° | 109.7° |
| C16 | C15 | H6 | 109.0° | 109.5° |
| C16 | C15 | H7 | 109.0° | 109.6° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | CL1 | 109.5° | 109.4° |
| H2 | C18 | CL1 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.6° |
| H6 | C15 | H7 | 109.4° | 109.4° |
| H8 | C19 | H9 | 109.5° | 109.6° |
| H10 | C20 | H11 | 109.5° | 109.6° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.6° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.4° | 109.6° |
| H20 | C3 | H21 | 109.5° | 109.6° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H29 | C1 | H30 | 109.5° | 109.4° |
| H29 | C1 | H31 | 109.5° | 109.5° |
| H30 | C1 | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C8 | C9 | C7 | 179.1° | 180.0° |
| CL2 | C8 | C9 | C10 | 178.3° | 180.0° |
| CL2 | C8 | C7 | C6 | 178.2° | 179.7° |
| CL2 | C8 | C9 | H34 | 1.7° | 0.0° |
| CL2 | C8 | C7 | H35 | 1.8° | 0.0° |
| C8 | C9 | C10 | H34 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.9° | 0.3° |
| C8 | C9 | C10 | C5 | 1.1° | 0.0° |
| C8 | C9 | C10 | H33 | 178.9° | 179.9° |
| C9 | C8 | C7 | H35 | 179.1° | 180.0° |
| C7 | C8 | C9 | C10 | 0.8° | 0.0° |
| C8 | C7 | C6 | H35 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 1.3° | 0.6° |
| C7 | C8 | C9 | H34 | 179.2° | 180.0° |
| C8 | C7 | C6 | H36 | 178.7° | 179.9° |
| C9 | C10 | C5 | H33 | 180.0° | 179.9° |
| C9 | C10 | C5 | C6 | 1.5° | 0.3° |
| C9 | C10 | C5 | N1 | 178.5° | 180.0° |
| C7 | C6 | C5 | C10 | 1.7° | 0.6° |
| C7 | C6 | C5 | H36 | 180.0° | 179.5° |
| C7 | C6 | C5 | N1 | 178.8° | 179.7° |
| C25 | C24 | C23 | O3 | 119.1° | 120.0° |
| C25 | C24 | C23 | H24 | 119.8° | 120.1° |
| C25 | C24 | C23 | C4 | 169.9° | 177.6° |
| C25 | C24 | O3 | H24 | 119.4° | 120.0° |
| C25 | C24 | O3 | C2 | 179.5° | 178.9° |
| C25 | C24 | C23 | H22 | 69.3° | 57.7° |
| C25 | C24 | C23 | H23 | 49.0° | 62.5° |
| C24 | C25 | H25 | H26 | 120.0° | 120.0° |
| C24 | C25 | H25 | H27 | 120.0° | 120.0° |
| C24 | C25 | H26 | H27 | 120.0° | 120.0° |
| C10 | C5 | C6 | N1 | 177.2° | 179.7° |
| C10 | C5 | N1 | C4 | 0.4° | 179.0° |
| C10 | C5 | N1 | H32 | 122.4° | 1.0° |
| C5 | C10 | C9 | H34 | 178.9° | 180.0° |
| C10 | C5 | C6 | H36 | 178.4° | 179.9° |
| C6 | C5 | N1 | C4 | 176.6° | 0.7° |
| C6 | C5 | N1 | H32 | 54.5° | 179.3° |
| C6 | C5 | C10 | H33 | 178.5° | 179.8° |
| C5 | C6 | C7 | H35 | 178.6° | 179.7° |
| C5 | N1 | C4 | C23 | 74.3° | 65.5° |
| C5 | N1 | C4 | H32 | 122.1° | 180.0° |
| C5 | N1 | C4 | C11 | 48.0° | 54.8° |
| C5 | N1 | C4 | C3 | 167.1° | 175.0° |
| N1 | C5 | C10 | H33 | 1.5° | 0.1° |
| N1 | C5 | C6 | H36 | 1.2° | 0.2° |
| C24 | C23 | C4 | H22 | 120.9° | 119.9° |
| C24 | C23 | C4 | H23 | 120.8° | 119.9° |
| C23 | C24 | O3 | H24 | 120.2° | 119.9° |
| C24 | C23 | C4 | N1 | 163.7° | 176.9° |
| C24 | C23 | C4 | C11 | 72.9° | 62.8° |
| C24 | C23 | C4 | C3 | 45.0° | 57.0° |
| C23 | C24 | O3 | C2 | 60.2° | 61.1° |
| C24 | C23 | H22 | H23 | 117.4° | 120.1° |
| C23 | C24 | C25 | H25 | 180.0° | 60.0° |
| C23 | C24 | C25 | H26 | 60.0° | 180.0° |
| C23 | C24 | C25 | H27 | 60.0° | 60.0° |
| C4 | C23 | C24 | O3 | 50.8° | 57.6° |
| C23 | C4 | N1 | C11 | 122.3° | 120.2° |
| C23 | C4 | N1 | C3 | 118.6° | 119.5° |
| C23 | C4 | C11 | C3 | 118.4° | 119.5° |
| C23 | C4 | C11 | O1 | 6.0° | 8.4° |
| C23 | C4 | C11 | N2 | 172.7° | 171.6° |
| C23 | C4 | C3 | C2 | 48.1° | 57.0° |
| C23 | C4 | C3 | H20 | 168.6° | 176.9° |
| C23 | C4 | C3 | H21 | 72.4° | 62.9° |
| C4 | C23 | H22 | H23 | 117.3° | 120.1° |
| C4 | C23 | C24 | H24 | 70.4° | 62.3° |
| C23 | C4 | N1 | H32 | 163.6° | 114.6° |
| C24 | O3 | C2 | C3 | 64.4° | 61.1° |
| C24 | O3 | C2 | C1 | 172.4° | 178.9° |
| O3 | C24 | C23 | H22 | 171.6° | 62.3° |
| O3 | C24 | C23 | H23 | 70.0° | 177.5° |
| O3 | C24 | C25 | H25 | 60.0° | 179.9° |
| O3 | C24 | C25 | H26 | 60.0° | 60.0° |
| O3 | C24 | C25 | H27 | 180.0° | 60.0° |
| C24 | O3 | C2 | H28 | 53.8° | 58.8° |
| N1 | C4 | C11 | C3 | 119.6° | 120.2° |
| N1 | C4 | C11 | O1 | 128.0° | 128.7° |
| N1 | C4 | C11 | N2 | 50.7° | 51.3° |
| N1 | C4 | C3 | C2 | 167.2° | 176.9° |
| N1 | C4 | C3 | H20 | 72.3° | 63.2° |
| N1 | C4 | C3 | H21 | 46.8° | 57.0° |
| N1 | C4 | C23 | H22 | 75.5° | 56.9° |
| N1 | C4 | C23 | H23 | 42.8° | 63.2° |
| C4 | C11 | O1 | N2 | 178.8° | 180.0° |
| C11 | C4 | C3 | C2 | 71.2° | 62.9° |
| C4 | C11 | N2 | C12 | 1.3° | 176.8° |
| C4 | C11 | N2 | C22 | 179.9° | 3.2° |
| C11 | C4 | C3 | H20 | 49.3° | 57.0° |
| C11 | C4 | C3 | H21 | 168.3° | 177.2° |
| C11 | C4 | C23 | H22 | 48.0° | 177.2° |
| C11 | C4 | C23 | H23 | 166.3° | 57.1° |
| C11 | C4 | N1 | H32 | 74.1° | 125.2° |
| C4 | C3 | C2 | O3 | 58.0° | 57.6° |
| C3 | C4 | C11 | O1 | 112.4° | 111.1° |
| C3 | C4 | C11 | N2 | 68.9° | 68.9° |
| C4 | C3 | C2 | H20 | 120.5° | 119.9° |
| C4 | C3 | C2 | H21 | 120.5° | 120.0° |
| C4 | C3 | C2 | C1 | 179.9° | 177.6° |
| C4 | C3 | H20 | H21 | 118.5° | 120.2° |
| C3 | C4 | C23 | H22 | 165.9° | 62.9° |
| C3 | C4 | C23 | H23 | 75.8° | 176.9° |
| C4 | C3 | C2 | H28 | 61.1° | 62.3° |
| C3 | C4 | N1 | H32 | 45.0° | 5.0° |
| O3 | C2 | C3 | C1 | 121.9° | 120.0° |
| O3 | C2 | C3 | H28 | 119.0° | 119.9° |
| O3 | C2 | C1 | H28 | 119.4° | 120.0° |
| O3 | C2 | C3 | H20 | 178.4° | 177.5° |
| O3 | C2 | C3 | H21 | 62.5° | 62.3° |
| C2 | O3 | C24 | H24 | 60.1° | 58.8° |
| O3 | C2 | C1 | H29 | 180.0° | 60.0° |
| O3 | C2 | C1 | H30 | 60.0° | 60.0° |
| O3 | C2 | C1 | H31 | 60.0° | 180.0° |
| O1 | C11 | N2 | C12 | 177.4° | 3.2° |
| O1 | C11 | N2 | C22 | 1.2° | 176.8° |
| C11 | N2 | C12 | C22 | 178.7° | 180.0° |
| C11 | N2 | C12 | C13 | 115.6° | 126.4° |
| C11 | N2 | C22 | C21 | 114.0° | 126.4° |
| C11 | N2 | C12 | H14 | 4.4° | 6.6° |
| C11 | N2 | C12 | H15 | 124.3° | 113.8° |
| C11 | N2 | C22 | H18 | 126.5° | 113.8° |
| C11 | N2 | C22 | H19 | 5.5° | 6.5° |
| C3 | C2 | C1 | H28 | 119.1° | 120.1° |
| C2 | C3 | H20 | H21 | 118.5° | 120.1° |
| C3 | C2 | C1 | H29 | 58.5° | 60.0° |
| C3 | C2 | C1 | H30 | 61.5° | 180.0° |
| C3 | C2 | C1 | H31 | 178.5° | 60.0° |
| C19 | C20 | C14 | H10 | 120.6° | 120.1° |
| C19 | C20 | C14 | H11 | 120.6° | 119.9° |
| C20 | C19 | N3 | H8 | 119.0° | 119.7° |
| C20 | C19 | N3 | H9 | 119.0° | 120.0° |
| C19 | C20 | C14 | C13 | 66.6° | 178.7° |
| C19 | C20 | C14 | C21 | 174.7° | 58.6° |
| C19 | C20 | C14 | C15 | 57.0° | 61.6° |
| C20 | C19 | N3 | C17 | 112.0° | 126.3° |
| C20 | C19 | N3 | C16 | 66.1° | 53.4° |
| C20 | C19 | H8 | H9 | 122.9° | 120.5° |
| C19 | C20 | H10 | H11 | 118.2° | 120.1° |
| C14 | C20 | C19 | N3 | 62.3° | 54.8° |
| C20 | C14 | C13 | C21 | 116.6° | 120.0° |
| C20 | C14 | C13 | C15 | 121.5° | 119.7° |
| C20 | C14 | C13 | C12 | 160.0° | 58.7° |
| C20 | C14 | C21 | C15 | 117.4° | 120.0° |
| C20 | C14 | C21 | C22 | 166.1° | 58.7° |
| C20 | C14 | C15 | C16 | 49.5° | 61.6° |
| C20 | C14 | C15 | H6 | 169.9° | 178.5° |
| C20 | C14 | C15 | H7 | 70.8° | 58.5° |
| C14 | C20 | C19 | H8 | 178.7° | 174.5° |
| C14 | C20 | C19 | H9 | 56.7° | 65.1° |
| C14 | C20 | H10 | H11 | 118.3° | 120.0° |
| C20 | C14 | C13 | H12 | 79.2° | 178.7° |
| C20 | C14 | C13 | H13 | 39.2° | 61.2° |
| C20 | C14 | C21 | H16 | 45.3° | 61.3° |
| C20 | C14 | C21 | H17 | 73.1° | 178.6° |
| C1 | C2 | C3 | H20 | 59.6° | 62.5° |
| C1 | C2 | C3 | H21 | 59.4° | 57.6° |
| C2 | C1 | H29 | H30 | 120.0° | 120.1° |
| C2 | C1 | H29 | H31 | 120.0° | 120.0° |
| C2 | C1 | H30 | H31 | 120.0° | 120.0° |
| C19 | N3 | C17 | O2 | 16.6° | 179.7° |
| C19 | N3 | C17 | C16 | 177.9° | 179.7° |
| C19 | N3 | C17 | C18 | 163.3° | 0.5° |
| C19 | N3 | C16 | C15 | 63.2° | 53.4° |
| C19 | N3 | C16 | H4 | 177.0° | 66.4° |
| C19 | N3 | C16 | H5 | 56.8° | 173.3° |
| N3 | C19 | H8 | H9 | 123.0° | 120.2° |
| N3 | C19 | C20 | H10 | 177.2° | 65.3° |
| N3 | C19 | C20 | H11 | 58.3° | 174.6° |
| N2 | C12 | C13 | C14 | 51.2° | 54.6° |
| N2 | C12 | C13 | H14 | 120.0° | 119.7° |
| N2 | C12 | C13 | H15 | 120.0° | 119.9° |
| C12 | N2 | C22 | C21 | 64.9° | 53.6° |
| N2 | C12 | C13 | H12 | 172.0° | 65.4° |
| N2 | C12 | C13 | H13 | 69.6° | 174.6° |
| N2 | C12 | H14 | H15 | 120.0° | 120.4° |
| C12 | N2 | C22 | H18 | 54.6° | 66.2° |
| C12 | N2 | C22 | H19 | 175.6° | 173.5° |
| C22 | N2 | C12 | C13 | 63.1° | 53.6° |
| N2 | C22 | C21 | C14 | 57.4° | 54.6° |
| N2 | C22 | C21 | H18 | 119.5° | 119.8° |
| N2 | C22 | C21 | H19 | 119.5° | 119.9° |
| C22 | N2 | C12 | H14 | 176.9° | 173.4° |
| C22 | N2 | C12 | H15 | 56.9° | 66.2° |
| N2 | C22 | C21 | H16 | 63.5° | 174.6° |
| N2 | C22 | C21 | H17 | 178.2° | 65.3° |
| N2 | C22 | H18 | H19 | 121.4° | 120.4° |
| C14 | C13 | C12 | H12 | 120.8° | 120.0° |
| C14 | C13 | C12 | H13 | 120.8° | 120.0° |
| C13 | C14 | C21 | C15 | 123.6° | 120.0° |
| C13 | C14 | C21 | C22 | 47.2° | 61.3° |
| C13 | C14 | C15 | C16 | 72.6° | 178.6° |
| C13 | C14 | C15 | H6 | 47.7° | 58.7° |
| C13 | C14 | C15 | H7 | 167.1° | 61.3° |
| C13 | C14 | C20 | H10 | 54.0° | 61.2° |
| C13 | C14 | C20 | H11 | 172.9° | 58.9° |
| C14 | C13 | H12 | H13 | 117.6° | 120.1° |
| C14 | C13 | C12 | H14 | 171.2° | 174.4° |
| C14 | C13 | C12 | H15 | 68.8° | 65.3° |
| C13 | C14 | C21 | H16 | 73.7° | 178.8° |
| C13 | C14 | C21 | H17 | 168.0° | 58.6° |
| C12 | C13 | C14 | C21 | 43.4° | 61.3° |
| C12 | C13 | C14 | C15 | 78.5° | 178.4° |
| C12 | C13 | H12 | H13 | 117.6° | 120.0° |
| C13 | C12 | H14 | H15 | 119.9° | 120.3° |
| C14 | C21 | C22 | H16 | 120.8° | 120.0° |
| C14 | C21 | C22 | H17 | 120.8° | 119.9° |
| C21 | C14 | C15 | C16 | 165.4° | 58.5° |
| C21 | C14 | C15 | H6 | 74.3° | 61.5° |
| C21 | C14 | C15 | H7 | 45.0° | 178.6° |
| C21 | C14 | C20 | H10 | 64.7° | 178.7° |
| C21 | C14 | C20 | H11 | 54.2° | 61.2° |
| C21 | C14 | C13 | H12 | 164.1° | 58.6° |
| C21 | C14 | C13 | H13 | 77.4° | 178.7° |
| C14 | C21 | H16 | H17 | 117.4° | 120.1° |
| C14 | C21 | C22 | H18 | 62.2° | 65.2° |
| C14 | C21 | C22 | H19 | 176.9° | 174.5° |
| C22 | C21 | C14 | C15 | 76.5° | 178.7° |
| C22 | C21 | H16 | H17 | 117.5° | 120.0° |
| C21 | C22 | H18 | H19 | 121.5° | 120.3° |
| C14 | C15 | C16 | N3 | 51.9° | 54.7° |
| C14 | C15 | C16 | H6 | 120.3° | 119.9° |
| C14 | C15 | C16 | H7 | 120.3° | 120.1° |
| C14 | C15 | C16 | H4 | 171.8° | 65.1° |
| C14 | C15 | C16 | H5 | 68.1° | 174.5° |
| C14 | C15 | H6 | H7 | 119.1° | 120.1° |
| C15 | C14 | C20 | H10 | 177.5° | 58.4° |
| C15 | C14 | C20 | H11 | 63.6° | 178.5° |
| C15 | C14 | C13 | H12 | 42.3° | 61.6° |
| C15 | C14 | C13 | H13 | 160.7° | 58.5° |
| C15 | C14 | C21 | H16 | 162.7° | 58.8° |
| C15 | C14 | C21 | H17 | 44.4° | 61.4° |
| O2 | C17 | N3 | C18 | 179.9° | 179.8° |
| O2 | C17 | N3 | C16 | 161.3° | 0.0° |
| O2 | C17 | C18 | H1 | 0.0° | 120.0° |
| O2 | C17 | C18 | H2 | 120.0° | 120.0° |
| O2 | C17 | C18 | CL1 | 120.0° | 0.1° |
| C17 | N3 | C16 | C15 | 114.9° | 126.3° |
| N3 | C17 | C18 | H1 | 179.9° | 59.8° |
| N3 | C17 | C18 | H2 | 59.9° | 60.2° |
| N3 | C17 | C18 | CL1 | 60.1° | 179.7° |
| C17 | N3 | C16 | H4 | 5.0° | 113.9° |
| C17 | N3 | C16 | H5 | 125.2° | 6.4° |
| C17 | N3 | C19 | H8 | 7.0° | 6.6° |
| C17 | N3 | C19 | H9 | 129.0° | 113.7° |
| C16 | N3 | C17 | C18 | 18.8° | 179.8° |
| N3 | C16 | C15 | H4 | 119.9° | 119.8° |
| N3 | C16 | C15 | H5 | 119.9° | 119.8° |
| N3 | C16 | H4 | H5 | 120.3° | 120.3° |
| N3 | C16 | C15 | H6 | 172.2° | 174.6° |
| N3 | C16 | C15 | H7 | 68.5° | 65.4° |
| C16 | N3 | C19 | H8 | 174.9° | 173.1° |
| C16 | N3 | C19 | H9 | 52.8° | 66.6° |
| C17 | C18 | H1 | H2 | 120.0° | 120.0° |
| C17 | C18 | H1 | CL1 | 120.0° | 120.0° |
| C17 | C18 | H2 | CL1 | 120.0° | 120.1° |
| C15 | C16 | H4 | H5 | 120.3° | 120.5° |
| C16 | C15 | H6 | H7 | 119.0° | 120.1° |
| H1 | C18 | H2 | CL1 | 120.0° | 119.9° |
| H4 | C16 | C15 | H6 | 67.9° | 54.8° |
| H4 | C16 | C15 | H7 | 51.4° | 174.8° |
| H5 | C16 | C15 | H6 | 52.3° | 65.6° |
| H5 | C16 | C15 | H7 | 171.6° | 54.4° |
| H8 | C19 | C20 | H10 | 58.2° | 54.4° |
| H8 | C19 | C20 | H11 | 60.7° | 65.7° |
| H9 | C19 | C20 | H10 | 63.9° | 174.9° |
| H9 | C19 | C20 | H11 | 177.3° | 54.7° |
| H12 | C13 | C12 | H14 | 68.0° | 54.4° |
| H12 | C13 | C12 | H15 | 51.9° | 174.7° |
| H13 | C13 | C12 | H14 | 50.5° | 65.7° |
| H13 | C13 | C12 | H15 | 170.4° | 54.7° |
| H16 | C21 | C22 | H18 | 177.0° | 54.8° |
| H16 | C21 | C22 | H19 | 56.0° | 65.5° |
| H17 | C21 | C22 | H18 | 58.6° | 174.9° |
| H17 | C21 | C22 | H19 | 62.3° | 54.5° |
| H20 | C3 | C2 | H28 | 59.4° | 57.6° |
| H21 | C3 | C2 | H28 | 178.4° | 177.7° |
| H22 | C23 | C24 | H24 | 50.5° | 177.7° |
| H23 | C23 | C24 | H24 | 168.8° | 57.6° |
| H24 | C24 | C25 | H25 | 60.3° | 60.1° |
| H24 | C24 | C25 | H26 | 179.7° | 60.0° |
| H24 | C24 | C25 | H27 | 59.7° | 179.9° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H28 | C2 | C1 | H29 | 60.6° | 180.0° |
| H28 | C2 | C1 | H30 | 179.4° | 59.9° |
| H28 | C2 | C1 | H31 | 59.4° | 60.0° |
| H29 | C1 | H30 | H31 | 120.0° | 119.9° |
| H33 | C10 | C9 | H34 | 1.1° | 0.1° |
| H35 | C7 | C6 | H36 | 1.4° | 0.2° |
