A1CSS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C7 | sing | 1.74Å | 1.76Å | |
| C8 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.30Å | |
| O2 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.30Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | C30 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C29 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | N2 | sing | 1.46Å | 1.49Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C14 | sing | 1.47Å | 1.47Å | |
| N2 | C21 | sing | 1.35Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | O4 | sing | 1.43Å | 1.45Å | |
| C21 | O3 | doub | 1.21Å | 1.30Å | |
| O4 | C23 | sing | 1.36Å | 1.30Å | |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | CL2 | sing | 1.74Å | 1.74Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C7 | C8 | 126.0° | 120.0° |
| CL1 | C7 | C6 | 116.4° | 120.0° |
| C7 | C8 | C9 | 120.6° | 120.0° |
| C8 | C7 | C6 | 117.7° | 120.1° |
| C7 | C8 | H21 | 119.7° | 120.0° |
| C8 | C9 | C4 | 120.7° | 120.0° |
| C8 | C9 | H4 | 119.6° | 120.0° |
| C9 | C8 | H21 | 119.7° | 120.0° |
| C7 | C6 | C5 | 121.7° | 120.1° |
| C7 | C6 | H20 | 119.1° | 120.0° |
| C9 | C4 | C5 | 117.7° | 119.9° |
| C9 | C4 | O2 | 126.6° | 120.1° |
| C4 | C9 | H4 | 119.6° | 120.0° |
| C6 | C5 | C4 | 121.5° | 120.0° |
| C6 | C5 | H3 | 119.3° | 120.1° |
| C5 | C6 | H20 | 119.2° | 119.9° |
| C5 | C4 | O2 | 115.7° | 120.1° |
| C4 | C5 | H3 | 119.3° | 120.0° |
| C4 | O2 | C3 | 125.5° | 117.0° |
| O2 | C3 | C2 | 108.6° | 109.5° |
| O2 | C3 | H18 | 109.7° | 109.4° |
| O2 | C3 | H19 | 109.7° | 109.5° |
| C3 | C2 | C1 | 114.2° | 109.4° |
| C3 | C2 | H1 | 108.3° | 109.4° |
| C3 | C2 | H2 | 108.3° | 109.4° |
| C2 | C3 | H18 | 109.7° | 109.5° |
| C2 | C3 | H19 | 109.7° | 109.5° |
| C2 | C1 | O1 | 121.4° | 120.0° |
| C2 | C1 | N1 | 117.4° | 119.9° |
| C1 | C2 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| O1 | C1 | N1 | 121.1° | 120.0° |
| C1 | N1 | C10 | 122.6° | 120.0° |
| C1 | N1 | H22 | 118.7° | 120.0° |
| N1 | C10 | C11 | 110.2° | 109.5° |
| N1 | C10 | C30 | 109.2° | 109.5° |
| N1 | C10 | H5 | 108.9° | 109.5° |
| C10 | N1 | H22 | 118.7° | 120.0° |
| C11 | C10 | C30 | 112.4° | 109.5° |
| C10 | C11 | C12 | 113.2° | 109.4° |
| C11 | C10 | H5 | 108.0° | 109.5° |
| C10 | C11 | H23 | 108.6° | 109.5° |
| C10 | C11 | H24 | 108.5° | 109.5° |
| C10 | C30 | C29 | 112.5° | 109.5° |
| C30 | C10 | H5 | 108.1° | 109.5° |
| C10 | C30 | H31 | 108.7° | 109.5° |
| C10 | C30 | H32 | 108.7° | 109.5° |
| C11 | C12 | C13 | 111.9° | 109.5° |
| C11 | C12 | H6 | 108.8° | 109.4° |
| C11 | C12 | H7 | 108.8° | 109.5° |
| C12 | C11 | H23 | 108.5° | 109.4° |
| C12 | C11 | H24 | 108.6° | 109.5° |
| C30 | C29 | C13 | 109.0° | 109.5° |
| C30 | C29 | H29 | 109.6° | 109.5° |
| C30 | C29 | H30 | 109.6° | 109.5° |
| C29 | C30 | H31 | 108.7° | 109.4° |
| C29 | C30 | H32 | 108.7° | 109.5° |
| C12 | C13 | C29 | 109.2° | 109.4° |
| C12 | C13 | N2 | 115.2° | 109.5° |
| C13 | C12 | H6 | 108.9° | 109.5° |
| C13 | C12 | H7 | 108.9° | 109.5° |
| C12 | C13 | H8 | 106.5° | 109.5° |
| C29 | C13 | N2 | 111.4° | 109.5° |
| C29 | C13 | H8 | 106.7° | 109.4° |
| C13 | C29 | H29 | 109.6° | 109.4° |
| C13 | C29 | H30 | 109.6° | 109.4° |
| C13 | N2 | C14 | 119.7° | 120.0° |
| C13 | N2 | C21 | 121.7° | 120.0° |
| N2 | C13 | H8 | 107.4° | 109.5° |
| C17 | C16 | C15 | 122.1° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H11 | 119.0° | 120.0° |
| C16 | C17 | H12 | 120.1° | 120.0° |
| C16 | C15 | C14 | 117.5° | 120.0° |
| C16 | C15 | C20 | 118.2° | 120.0° |
| C15 | C16 | H11 | 119.0° | 120.0° |
| C17 | C18 | C19 | 118.6° | 120.0° |
| C18 | C17 | H12 | 120.0° | 120.0° |
| C17 | C18 | H25 | 120.7° | 120.0° |
| C14 | N2 | C21 | 118.6° | 120.0° |
| N2 | C14 | C15 | 115.8° | 109.4° |
| N2 | C14 | H9 | 107.9° | 109.5° |
| N2 | C14 | H10 | 107.9° | 109.5° |
| N2 | C21 | C22 | 120.2° | 120.0° |
| N2 | C21 | O3 | 122.1° | 120.0° |
| C14 | C15 | C20 | 124.3° | 120.0° |
| C15 | C14 | H9 | 107.9° | 109.5° |
| C15 | C14 | H10 | 107.8° | 109.5° |
| C15 | C20 | C19 | 119.4° | 120.0° |
| C15 | C20 | H13 | 120.3° | 120.1° |
| C18 | C19 | C20 | 121.9° | 120.0° |
| C19 | C18 | H25 | 120.7° | 120.0° |
| C18 | C19 | H26 | 119.1° | 120.0° |
| C19 | C20 | H13 | 120.3° | 120.0° |
| C20 | C19 | H26 | 119.1° | 120.0° |
| C21 | C22 | O4 | 106.5° | 109.5° |
| C22 | C21 | O3 | 117.4° | 120.0° |
| C21 | C22 | H14 | 110.2° | 109.5° |
| C21 | C22 | H15 | 110.2° | 109.5° |
| C22 | O4 | C23 | 123.2° | 117.0° |
| O4 | C22 | H14 | 110.2° | 109.5° |
| O4 | C22 | H15 | 110.2° | 109.4° |
| O4 | C23 | C24 | 118.2° | 120.0° |
| O4 | C23 | C28 | 124.1° | 120.1° |
| C24 | C23 | C28 | 117.7° | 119.9° |
| C23 | C24 | C25 | 121.5° | 120.0° |
| C23 | C24 | H16 | 119.2° | 120.0° |
| C23 | C28 | C27 | 121.2° | 120.0° |
| C23 | C28 | H28 | 119.4° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | H16 | 119.2° | 120.0° |
| C24 | C25 | H17 | 120.0° | 120.0° |
| C28 | C27 | C26 | 119.6° | 120.0° |
| C28 | C27 | H27 | 120.2° | 120.0° |
| C27 | C28 | H28 | 119.4° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C25 | C26 | CL2 | 120.8° | 120.0° |
| C26 | C25 | H17 | 120.0° | 120.0° |
| C27 | C26 | CL2 | 119.3° | 119.9° |
| C26 | C27 | H27 | 120.2° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.4° | 109.5° |
| H14 | C22 | H15 | 109.4° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.4° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H31 | C30 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C7 | C8 | C6 | 178.9° | 179.4° |
| CL1 | C7 | C8 | C9 | 179.6° | 179.7° |
| CL1 | C7 | C6 | C5 | 178.5° | 180.0° |
| CL1 | C7 | C6 | H20 | 1.5° | 0.0° |
| CL1 | C7 | C8 | H21 | 0.5° | 0.7° |
| C7 | C8 | C9 | H21 | 180.0° | 179.1° |
| C7 | C8 | C9 | C4 | 0.7° | 0.5° |
| C8 | C7 | C6 | C5 | 2.5° | 0.6° |
| C7 | C8 | C9 | H4 | 179.3° | 179.4° |
| C8 | C7 | C6 | H20 | 177.5° | 179.4° |
| C9 | C8 | C7 | C6 | 1.5° | 0.9° |
| C8 | C9 | C4 | H4 | 180.0° | 179.9° |
| C8 | C9 | C4 | C5 | 2.0° | 0.1° |
| C8 | C9 | C4 | O2 | 178.6° | 179.7° |
| C7 | C6 | C5 | H20 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H3 | 178.8° | 180.0° |
| C6 | C7 | C8 | H21 | 178.5° | 180.0° |
| C9 | C4 | C5 | C6 | 1.1° | 0.3° |
| C9 | C4 | C5 | O2 | 179.4° | 179.6° |
| C9 | C4 | O2 | C3 | 12.8° | 0.4° |
| C9 | C4 | C5 | H3 | 178.9° | 179.7° |
| C4 | C9 | C8 | H21 | 179.3° | 179.6° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | O2 | 179.5° | 179.9° |
| C5 | C4 | O2 | C3 | 167.9° | 180.0° |
| C5 | C4 | C9 | H4 | 178.0° | 180.0° |
| C4 | C5 | C6 | H20 | 178.8° | 180.0° |
| C4 | O2 | C3 | C2 | 176.3° | 180.0° |
| O2 | C4 | C5 | H3 | 0.5° | 0.1° |
| O2 | C4 | C9 | H4 | 1.3° | 0.4° |
| C4 | O2 | C3 | H18 | 63.8° | 60.0° |
| C4 | O2 | C3 | H19 | 56.5° | 59.9° |
| O2 | C3 | C2 | H18 | 119.8° | 120.0° |
| O2 | C3 | C2 | H19 | 119.9° | 120.0° |
| O2 | C3 | C2 | C1 | 71.8° | 180.0° |
| O2 | C3 | C2 | H1 | 167.5° | 60.0° |
| O2 | C3 | C2 | H2 | 48.9° | 60.0° |
| O2 | C3 | H18 | H19 | 120.4° | 119.9° |
| C3 | C2 | C1 | H1 | 120.7° | 119.9° |
| C3 | C2 | C1 | H2 | 120.7° | 120.0° |
| C3 | C2 | C1 | O1 | 18.9° | 0.0° |
| C3 | C2 | C1 | N1 | 163.9° | 180.0° |
| C3 | C2 | H1 | H2 | 117.9° | 120.0° |
| C2 | C3 | H18 | H19 | 120.4° | 120.0° |
| C2 | C1 | O1 | N1 | 177.1° | 179.9° |
| C2 | C1 | N1 | C10 | 172.8° | 180.0° |
| C1 | C2 | H1 | H2 | 117.8° | 120.1° |
| C1 | C2 | C3 | H18 | 48.1° | 60.0° |
| C1 | C2 | C3 | H19 | 168.4° | 60.0° |
| C2 | C1 | N1 | H22 | 7.2° | 0.1° |
| O1 | C1 | N1 | C10 | 4.4° | 0.0° |
| O1 | C1 | C2 | H1 | 101.7° | 120.0° |
| O1 | C1 | C2 | H2 | 139.7° | 119.9° |
| O1 | C1 | N1 | H22 | 175.6° | 180.0° |
| C1 | N1 | C10 | H22 | 180.0° | 180.0° |
| C1 | N1 | C10 | C11 | 83.5° | 155.0° |
| C1 | N1 | C10 | C30 | 152.6° | 85.0° |
| N1 | C1 | C2 | H1 | 75.4° | 60.1° |
| N1 | C1 | C2 | H2 | 43.2° | 60.0° |
| C1 | N1 | C10 | H5 | 34.8° | 35.0° |
| N1 | C10 | C11 | C30 | 122.0° | 120.0° |
| N1 | C10 | C11 | H5 | 118.8° | 120.0° |
| N1 | C10 | C30 | H5 | 118.3° | 120.0° |
| N1 | C10 | C11 | C12 | 167.9° | 180.0° |
| N1 | C10 | C30 | C29 | 173.9° | 180.0° |
| N1 | C10 | C11 | H23 | 71.5° | 60.0° |
| N1 | C10 | C11 | H24 | 47.4° | 60.0° |
| N1 | C10 | C30 | H31 | 53.4° | 60.0° |
| N1 | C10 | C30 | H32 | 65.7° | 60.0° |
| C11 | C10 | C30 | H5 | 119.1° | 120.0° |
| C10 | C11 | C12 | H23 | 120.6° | 120.0° |
| C10 | C11 | C12 | H24 | 120.5° | 120.0° |
| C11 | C10 | C30 | C29 | 51.3° | 60.0° |
| C10 | C11 | C12 | C13 | 49.6° | 60.0° |
| C10 | C11 | C12 | H6 | 70.7° | 180.0° |
| C10 | C11 | C12 | H7 | 170.0° | 60.0° |
| C11 | C10 | N1 | H22 | 96.5° | 25.0° |
| C10 | C11 | H23 | H24 | 118.3° | 120.0° |
| C11 | C10 | C30 | H31 | 69.2° | 60.0° |
| C11 | C10 | C30 | H32 | 171.8° | 180.0° |
| C30 | C10 | C11 | C12 | 45.9° | 60.0° |
| C10 | C30 | C29 | H31 | 120.5° | 120.0° |
| C10 | C30 | C29 | H32 | 120.4° | 120.0° |
| C10 | C30 | C29 | C13 | 59.8° | 60.0° |
| C30 | C10 | N1 | H22 | 27.4° | 95.0° |
| C30 | C10 | C11 | H23 | 166.5° | 180.0° |
| C30 | C10 | C11 | H24 | 74.6° | 60.0° |
| C10 | C30 | C29 | H29 | 179.7° | 60.0° |
| C10 | C30 | C29 | H30 | 60.2° | 180.0° |
| C10 | C30 | H31 | H32 | 118.6° | 120.0° |
| C11 | C12 | C13 | H6 | 120.4° | 120.0° |
| C11 | C12 | C13 | H7 | 120.3° | 120.0° |
| C11 | C12 | C13 | C29 | 57.7° | 60.0° |
| C11 | C12 | C13 | N2 | 176.1° | 180.0° |
| C12 | C11 | C10 | H5 | 73.3° | 60.0° |
| C11 | C12 | H6 | H7 | 118.9° | 120.0° |
| C11 | C12 | C13 | H8 | 57.2° | 59.9° |
| C12 | C11 | H23 | H24 | 118.3° | 120.0° |
| C30 | C29 | C13 | C12 | 62.0° | 60.0° |
| C30 | C29 | C13 | H29 | 119.9° | 120.0° |
| C30 | C29 | C13 | H30 | 119.9° | 120.0° |
| C30 | C29 | C13 | N2 | 169.7° | 180.0° |
| C29 | C30 | C10 | H5 | 67.8° | 60.0° |
| C30 | C29 | C13 | H8 | 52.8° | 60.0° |
| C30 | C29 | H29 | H30 | 120.2° | 120.0° |
| C29 | C30 | H31 | H32 | 118.6° | 120.0° |
| C12 | C13 | C29 | N2 | 128.4° | 120.1° |
| C12 | C13 | C29 | H8 | 114.8° | 119.9° |
| C12 | C13 | N2 | H8 | 118.4° | 120.0° |
| C12 | C13 | N2 | C14 | 37.7° | 120.0° |
| C12 | C13 | N2 | C21 | 140.5° | 60.0° |
| C13 | C12 | H6 | H7 | 118.9° | 120.0° |
| C13 | C12 | C11 | H23 | 170.2° | 180.0° |
| C13 | C12 | C11 | H24 | 70.9° | 60.0° |
| C12 | C13 | C29 | H29 | 178.1° | 60.1° |
| C12 | C13 | C29 | H30 | 57.9° | 180.0° |
| C29 | C13 | N2 | H8 | 116.5° | 120.0° |
| C29 | C13 | N2 | C14 | 87.4° | 120.0° |
| C29 | C13 | N2 | C21 | 94.4° | 60.0° |
| C29 | C13 | C12 | H6 | 62.6° | 179.9° |
| C29 | C13 | C12 | H7 | 178.1° | 60.1° |
| C13 | C29 | H29 | H30 | 120.2° | 119.9° |
| C13 | C29 | C30 | H31 | 60.7° | 60.0° |
| C13 | C29 | C30 | H32 | 179.8° | 180.0° |
| C13 | N2 | C14 | C21 | 178.2° | 179.9° |
| C13 | N2 | C14 | C15 | 89.0° | 84.3° |
| C13 | N2 | C21 | C22 | 29.3° | 174.2° |
| C13 | N2 | C21 | O3 | 157.1° | 5.8° |
| N2 | C13 | C12 | H6 | 63.6° | 60.0° |
| N2 | C13 | C12 | H7 | 55.7° | 60.0° |
| C13 | N2 | C14 | H9 | 150.0° | 35.7° |
| C13 | N2 | C14 | H10 | 31.9° | 155.7° |
| N2 | C13 | C29 | H29 | 49.7° | 60.0° |
| N2 | C13 | C29 | H30 | 70.4° | 59.9° |
| C17 | C16 | C15 | H11 | 180.0° | 179.9° |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.6° | 180.0° |
| C17 | C16 | C15 | C20 | 0.2° | 0.2° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | H25 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C16 | C15 | C14 | N2 | 154.2° | 88.9° |
| C16 | C15 | C14 | C20 | 179.4° | 179.8° |
| C16 | C15 | C20 | C19 | 0.5° | 0.3° |
| C16 | C15 | C14 | H9 | 84.8° | 31.1° |
| C16 | C15 | C14 | H10 | 33.3° | 151.1° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C16 | C15 | C20 | H13 | 179.5° | 179.8° |
| C17 | C18 | C19 | H25 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C18 | C17 | C16 | H11 | 179.8° | 180.0° |
| C17 | C18 | C19 | H26 | 180.0° | 179.7° |
| N2 | C14 | C15 | H9 | 121.0° | 120.0° |
| N2 | C14 | C15 | H10 | 120.9° | 119.9° |
| N2 | C14 | C15 | C20 | 26.4° | 90.9° |
| C14 | N2 | C21 | C22 | 152.6° | 5.7° |
| C14 | N2 | C21 | O3 | 21.1° | 174.2° |
| C14 | N2 | C13 | H8 | 156.0° | 0.0° |
| N2 | C14 | H9 | H10 | 117.1° | 120.0° |
| C21 | N2 | C14 | C15 | 89.1° | 95.7° |
| N2 | C21 | C22 | O3 | 173.9° | 180.0° |
| N2 | C21 | C22 | O4 | 84.5° | 176.2° |
| C21 | N2 | C13 | H8 | 22.1° | 180.0° |
| C21 | N2 | C14 | H9 | 31.8° | 144.3° |
| C21 | N2 | C14 | H10 | 149.9° | 24.2° |
| N2 | C21 | C22 | H14 | 156.0° | 63.8° |
| N2 | C21 | C22 | H15 | 35.0° | 56.2° |
| C14 | C15 | C20 | C19 | 179.8° | 179.9° |
| C15 | C14 | H9 | H10 | 117.1° | 120.0° |
| C14 | C15 | C16 | H11 | 0.4° | 0.1° |
| C14 | C15 | C20 | H13 | 0.1° | 0.1° |
| C15 | C20 | C19 | C18 | 0.3° | 0.1° |
| C15 | C20 | C19 | H13 | 180.0° | 180.0° |
| C20 | C15 | C14 | H9 | 94.6° | 149.1° |
| C20 | C15 | C14 | H10 | 147.3° | 29.0° |
| C20 | C15 | C16 | H11 | 179.8° | 179.7° |
| C15 | C20 | C19 | H26 | 179.6° | 180.0° |
| C18 | C19 | C20 | H26 | 180.0° | 179.9° |
| C19 | C18 | C17 | H12 | 179.7° | 179.8° |
| C18 | C19 | C20 | H13 | 179.6° | 180.0° |
| C20 | C19 | C18 | H25 | 180.0° | 179.9° |
| C21 | C22 | O4 | H14 | 119.6° | 120.0° |
| C21 | C22 | O4 | H15 | 119.5° | 120.0° |
| C21 | C22 | O4 | C23 | 100.3° | 180.0° |
| C21 | C22 | H14 | H15 | 121.4° | 120.0° |
| O4 | C22 | C21 | O3 | 89.4° | 3.8° |
| C22 | O4 | C23 | C24 | 167.6° | 180.0° |
| C22 | O4 | C23 | C28 | 12.0° | 0.4° |
| O4 | C22 | H14 | H15 | 121.4° | 119.9° |
| O3 | C21 | C22 | H14 | 30.1° | 116.2° |
| O3 | C21 | C22 | H15 | 151.1° | 123.7° |
| O4 | C23 | C24 | C28 | 179.6° | 179.7° |
| O4 | C23 | C24 | C25 | 177.6° | 179.7° |
| O4 | C23 | C28 | C27 | 179.1° | 179.7° |
| C23 | O4 | C22 | H14 | 19.3° | 59.9° |
| C23 | O4 | C22 | H15 | 140.2° | 60.1° |
| O4 | C23 | C24 | H16 | 2.4° | 0.3° |
| O4 | C23 | C28 | H28 | 0.9° | 0.3° |
| C23 | C24 | C25 | H16 | 180.0° | 180.0° |
| C24 | C23 | C28 | C27 | 0.5° | 0.0° |
| C23 | C24 | C25 | C26 | 2.6° | 0.0° |
| C23 | C24 | C25 | H17 | 177.4° | 180.0° |
| C24 | C23 | C28 | H28 | 179.5° | 180.0° |
| C28 | C23 | C24 | C25 | 2.1° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.5° | 0.0° |
| C28 | C23 | C24 | H16 | 177.9° | 180.0° |
| C23 | C28 | C27 | H27 | 179.5° | 180.0° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 1.5° | 0.1° |
| C24 | C25 | C26 | CL2 | 179.4° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | CL2 | 179.1° | 180.0° |
| C25 | C26 | C27 | CL2 | 179.2° | 180.0° |
| C26 | C25 | C24 | H16 | 177.4° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C27 | C26 | C25 | H17 | 178.5° | 180.0° |
| C26 | C27 | C28 | H28 | 179.5° | 180.0° |
| CL2 | C26 | C25 | H17 | 0.7° | 0.0° |
| CL2 | C26 | C27 | H27 | 0.9° | 0.0° |
| H1 | C2 | C3 | H18 | 72.6° | 180.0° |
| H1 | C2 | C3 | H19 | 47.7° | 60.0° |
| H2 | C2 | C3 | H18 | 168.8° | 60.0° |
| H2 | C2 | C3 | H19 | 70.9° | 180.0° |
| H3 | C5 | C6 | H20 | 1.2° | 0.0° |
| H4 | C9 | C8 | H21 | 0.7° | 0.3° |
| H5 | C10 | N1 | H22 | 145.2° | 145.0° |
| H5 | C10 | C11 | H23 | 47.3° | 60.0° |
| H5 | C10 | C11 | H24 | 166.2° | 180.0° |
| H5 | C10 | C30 | H31 | 171.7° | 180.0° |
| H5 | C10 | C30 | H32 | 52.7° | 60.0° |
| H6 | C12 | C13 | H8 | 177.5° | 60.0° |
| H6 | C12 | C11 | H23 | 49.8° | 60.0° |
| H6 | C12 | C11 | H24 | 168.7° | 60.0° |
| H7 | C12 | C13 | H8 | 63.2° | 180.0° |
| H7 | C12 | C11 | H23 | 69.5° | 59.9° |
| H7 | C12 | C11 | H24 | 49.4° | 179.9° |
| H8 | C13 | C29 | H29 | 67.1° | 180.0° |
| H8 | C13 | C29 | H30 | 172.7° | 60.1° |
| H11 | C16 | C17 | H12 | 0.2° | 0.1° |
| H12 | C17 | C18 | H25 | 0.3° | 0.1° |
| H13 | C20 | C19 | H26 | 0.4° | 0.1° |
| H16 | C24 | C25 | H17 | 2.6° | 0.0° |
| H25 | C18 | C19 | H26 | 0.0° | 0.0° |
| H27 | C27 | C28 | H28 | 0.5° | 0.0° |
| H29 | C29 | C30 | H31 | 59.2° | 180.0° |
| H29 | C29 | C30 | H32 | 59.9° | 60.0° |
| H30 | C29 | C30 | H31 | 179.3° | 60.0° |
| H30 | C29 | C30 | H32 | 60.3° | 60.0° |
