A1DAJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| O2 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | N1 | sing | 1.35Å | 1.36Å | |
| CL | C1 | sing | 1.74Å | 1.74Å | |
| C20 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N1 | sing | 1.47Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N1 | C18 | sing | 1.47Å | 1.49Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C17 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | sing | 1.51Å | 1.52Å | |
| C8 | C6 | sing | 1.53Å | 1.55Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| N | C13 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | CL1 | sing | 1.80Å | 1.73Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | O2 | 122.0° | 120.0° |
| C22 | C21 | N1 | 117.8° | 120.0° |
| C21 | C22 | H31 | 108.9° | 109.5° |
| C21 | C22 | H29 | 108.9° | 109.5° |
| C21 | C22 | CL1 | 111.6° | 109.5° |
| O2 | C21 | N1 | 120.3° | 120.0° |
| C21 | N1 | C15 | 120.3° | 120.6° |
| C21 | N1 | C18 | 118.3° | 120.6° |
| CL | C1 | C | 119.5° | 120.0° |
| CL | C1 | C2 | 119.2° | 120.0° |
| C20 | C15 | N1 | 113.2° | 109.6° |
| C20 | C15 | C16 | 112.3° | 109.7° |
| C20 | C15 | H17 | 106.7° | 109.8° |
| C15 | C20 | H28 | 109.5° | 109.5° |
| C15 | C20 | H26 | 109.5° | 109.4° |
| C15 | C20 | H27 | 109.5° | 109.5° |
| N1 | C15 | C16 | 110.5° | 108.6° |
| C15 | N1 | C18 | 121.4° | 118.8° |
| N1 | C15 | H17 | 107.0° | 109.6° |
| C15 | C16 | N2 | 111.0° | 108.7° |
| C16 | C15 | H17 | 106.6° | 109.6° |
| C15 | C16 | H18 | 109.1° | 109.5° |
| C15 | C16 | H19 | 109.1° | 109.6° |
| N1 | C18 | C19 | 112.7° | 109.6° |
| N1 | C18 | C17 | 109.0° | 108.6° |
| N1 | C18 | H22 | 107.7° | 109.7° |
| C1 | C | C5 | 119.0° | 120.0° |
| C | C1 | C2 | 121.3° | 120.0° |
| C1 | C | H | 120.5° | 120.0° |
| C | C5 | C4 | 121.0° | 120.0° |
| C5 | C | H | 120.5° | 120.0° |
| C | C5 | H3 | 119.5° | 120.0° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C1 | C2 | H1 | 120.4° | 120.0° |
| C16 | N2 | C17 | 111.1° | 118.8° |
| C16 | N2 | C7 | 130.3° | 120.6° |
| N2 | C16 | H18 | 109.1° | 109.7° |
| N2 | C16 | H19 | 109.1° | 109.6° |
| C5 | C4 | C3 | 118.2° | 120.0° |
| C5 | C4 | C6 | 123.5° | 120.0° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C19 | C18 | C17 | 112.4° | 109.6° |
| C19 | C18 | H22 | 107.4° | 109.6° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C17 | N2 | 110.6° | 108.6° |
| C18 | C17 | H21 | 109.2° | 109.6° |
| C18 | C17 | H20 | 109.2° | 109.6° |
| C17 | C18 | H22 | 107.4° | 109.6° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | H1 | 120.5° | 120.0° |
| C2 | C3 | H2 | 119.3° | 120.0° |
| C17 | N2 | C7 | 118.6° | 120.6° |
| N2 | C17 | H21 | 109.2° | 109.6° |
| N2 | C17 | H20 | 109.2° | 109.8° |
| N2 | C7 | C6 | 123.8° | 120.0° |
| N2 | C7 | O | 120.2° | 120.0° |
| C3 | C4 | C6 | 118.3° | 120.0° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C4 | C6 | C8 | 116.3° | 109.5° |
| C4 | C6 | C7 | 108.3° | 109.5° |
| C4 | C6 | H4 | 105.9° | 109.5° |
| C6 | C8 | C12 | 111.4° | 109.4° |
| C6 | C8 | C9 | 110.8° | 109.4° |
| C8 | C6 | C7 | 114.1° | 109.5° |
| C8 | C6 | H4 | 105.6° | 109.4° |
| C6 | C8 | H5 | 108.4° | 109.4° |
| C12 | C8 | C9 | 109.0° | 109.6° |
| C8 | C12 | C11 | 110.0° | 109.3° |
| C8 | C12 | H12 | 109.3° | 109.5° |
| C8 | C12 | H13 | 109.3° | 109.6° |
| C12 | C8 | H5 | 108.6° | 109.5° |
| C8 | C9 | C10 | 111.6° | 109.3° |
| C9 | C8 | H5 | 108.6° | 109.5° |
| C8 | C9 | H7 | 108.9° | 109.5° |
| C8 | C9 | H6 | 108.9° | 109.5° |
| C6 | C7 | O | 115.9° | 120.0° |
| C7 | C6 | H4 | 105.8° | 109.5° |
| C12 | C11 | N | 110.5° | 108.8° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C12 | C11 | H11 | 109.2° | 109.6° |
| C11 | C12 | H12 | 109.3° | 109.4° |
| C11 | C12 | H13 | 109.4° | 109.5° |
| C11 | N | C10 | 113.0° | 118.7° |
| C11 | N | C13 | 122.0° | 120.6° |
| N | C11 | H10 | 109.2° | 109.6° |
| N | C11 | H11 | 109.2° | 109.6° |
| C9 | C10 | N | 111.4° | 108.8° |
| C9 | C10 | H9 | 109.0° | 109.6° |
| C9 | C10 | H8 | 109.0° | 109.7° |
| C10 | C9 | H7 | 109.0° | 109.5° |
| C10 | C9 | H6 | 109.0° | 109.5° |
| C10 | N | C13 | 125.1° | 120.6° |
| N | C10 | H9 | 109.0° | 109.5° |
| N | C10 | H8 | 109.0° | 109.6° |
| N | C13 | C14 | 118.1° | 120.0° |
| N | C13 | O1 | 120.7° | 120.0° |
| C14 | C13 | O1 | 121.1° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.8° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.4° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.7° |
| H21 | C17 | H20 | 109.5° | 109.6° |
| H23 | C19 | H25 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C19 | H24 | 109.5° | 109.5° |
| H28 | C20 | H26 | 109.5° | 109.5° |
| H28 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H31 | C22 | H29 | 109.5° | 109.5° |
| H31 | C22 | CL1 | 108.9° | 109.5° |
| H29 | C22 | CL1 | 108.9° | 109.4° |
| H9 | C10 | H8 | 109.5° | 109.6° |
| H7 | C9 | H6 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | O2 | N1 | 179.0° | 179.9° |
| C22 | C21 | N1 | C15 | 71.7° | 154.3° |
| C22 | C21 | N1 | C18 | 108.1° | 25.6° |
| C21 | C22 | H31 | H29 | 119.0° | 120.1° |
| C21 | C22 | H31 | CL1 | 122.0° | 120.0° |
| C21 | C22 | H29 | CL1 | 122.0° | 120.0° |
| O2 | C21 | N1 | C15 | 109.3° | 25.8° |
| O2 | C21 | N1 | C18 | 70.9° | 154.4° |
| O2 | C21 | C22 | H31 | 105.1° | 110.9° |
| O2 | C21 | C22 | H29 | 135.5° | 129.0° |
| O2 | C21 | C22 | CL1 | 15.2° | 9.1° |
| C21 | N1 | C15 | C20 | 91.1° | 4.9° |
| C21 | N1 | C15 | C18 | 179.8° | 179.9° |
| C21 | N1 | C15 | C16 | 141.9° | 124.7° |
| C21 | N1 | C18 | C19 | 94.7° | 4.9° |
| C21 | N1 | C18 | C17 | 139.7° | 124.7° |
| C21 | N1 | C15 | H17 | 26.2° | 115.6° |
| C21 | N1 | C18 | H22 | 23.5° | 115.5° |
| N1 | C21 | C22 | H31 | 73.8° | 69.0° |
| N1 | C21 | C22 | H29 | 45.5° | 51.1° |
| N1 | C21 | C22 | CL1 | 165.8° | 171.0° |
| CL | C1 | C | C2 | 179.3° | 179.7° |
| CL | C1 | C | C5 | 178.6° | 179.7° |
| CL | C1 | C2 | C3 | 179.9° | 179.7° |
| CL | C1 | C2 | H1 | 0.1° | 0.3° |
| CL | C1 | C | H | 1.4° | 0.3° |
| C20 | C15 | N1 | C16 | 127.0° | 119.8° |
| C20 | C15 | N1 | H17 | 117.3° | 120.5° |
| C20 | C15 | C16 | H17 | 116.6° | 120.6° |
| C20 | C15 | N1 | C18 | 88.7° | 174.9° |
| C20 | C15 | C16 | N2 | 81.2° | 169.1° |
| C20 | C15 | C16 | H18 | 158.6° | 71.1° |
| C20 | C15 | C16 | H19 | 39.1° | 49.3° |
| C15 | C20 | H28 | H26 | 120.0° | 119.9° |
| C15 | C20 | H28 | H27 | 120.0° | 120.0° |
| C15 | C20 | H26 | H27 | 120.0° | 120.0° |
| N1 | C15 | C16 | H17 | 115.9° | 119.7° |
| N1 | C15 | C16 | N2 | 46.3° | 49.4° |
| C15 | N1 | C18 | C19 | 85.1° | 175.0° |
| C15 | N1 | C18 | C17 | 40.5° | 55.2° |
| N1 | C15 | C16 | H18 | 73.9° | 169.2° |
| N1 | C15 | C16 | H19 | 166.5° | 70.4° |
| C15 | N1 | C18 | H22 | 156.7° | 64.6° |
| N1 | C15 | C20 | H28 | 180.0° | 51.4° |
| N1 | C15 | C20 | H26 | 60.0° | 171.4° |
| N1 | C15 | C20 | H27 | 60.0° | 68.6° |
| C16 | C15 | N1 | C18 | 38.3° | 55.2° |
| C15 | C16 | N2 | H18 | 120.2° | 119.7° |
| C15 | C16 | N2 | H19 | 120.2° | 119.8° |
| C15 | C16 | N2 | C17 | 62.5° | 55.3° |
| C15 | C16 | N2 | C7 | 119.9° | 124.7° |
| C15 | C16 | H18 | H19 | 119.3° | 120.3° |
| C16 | C15 | C20 | H28 | 53.9° | 67.7° |
| C16 | C15 | C20 | H26 | 173.9° | 52.3° |
| C16 | C15 | C20 | H27 | 66.0° | 172.3° |
| N1 | C18 | C19 | C17 | 123.7° | 119.2° |
| N1 | C18 | C19 | H22 | 118.4° | 120.5° |
| N1 | C18 | C17 | H22 | 116.4° | 119.9° |
| N1 | C18 | C17 | N2 | 51.2° | 49.4° |
| C18 | N1 | C15 | H17 | 154.0° | 64.6° |
| N1 | C18 | C17 | H21 | 171.3° | 70.4° |
| N1 | C18 | C17 | H20 | 69.0° | 169.3° |
| N1 | C18 | C19 | H23 | 180.0° | 55.7° |
| N1 | C18 | C19 | H25 | 60.0° | 64.3° |
| N1 | C18 | C19 | H24 | 60.0° | 175.7° |
| C1 | C | C5 | H | 180.0° | 180.0° |
| C1 | C | C5 | C4 | 1.4° | 0.1° |
| C | C1 | C2 | C3 | 0.7° | 0.1° |
| C | C1 | C2 | H1 | 179.3° | 180.0° |
| C1 | C | C5 | H3 | 178.6° | 180.0° |
| C5 | C | C1 | C2 | 0.7° | 0.1° |
| C | C5 | C4 | H3 | 180.0° | 179.9° |
| C | C5 | C4 | C3 | 0.8° | 0.1° |
| C | C5 | C4 | C6 | 178.0° | 180.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 1.3° | 0.0° |
| C1 | C2 | C3 | H2 | 178.7° | 180.0° |
| C2 | C1 | C | H | 179.3° | 180.0° |
| C16 | N2 | C17 | C18 | 65.4° | 55.2° |
| C16 | N2 | C17 | C7 | 177.9° | 180.0° |
| C16 | N2 | C7 | C6 | 9.9° | 180.0° |
| C16 | N2 | C7 | O | 168.7° | 0.0° |
| N2 | C16 | C15 | H17 | 162.2° | 70.3° |
| N2 | C16 | H18 | H19 | 119.3° | 120.5° |
| C16 | N2 | C17 | H21 | 174.4° | 64.5° |
| C16 | N2 | C17 | H20 | 54.7° | 175.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | C6 | 177.4° | 180.0° |
| C5 | C4 | C6 | C8 | 14.9° | 60.0° |
| C5 | C4 | C6 | C7 | 115.0° | 60.0° |
| C5 | C4 | C3 | H2 | 179.4° | 180.0° |
| C4 | C5 | C | H | 178.6° | 180.0° |
| C5 | C4 | C6 | H4 | 131.8° | 179.9° |
| C19 | C18 | C17 | H22 | 117.8° | 120.3° |
| C19 | C18 | C17 | N2 | 74.6° | 169.2° |
| C19 | C18 | C17 | H21 | 45.6° | 49.4° |
| C19 | C18 | C17 | H20 | 165.2° | 70.9° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H25 | H24 | 120.0° | 120.0° |
| C18 | C17 | N2 | H21 | 120.2° | 119.7° |
| C18 | C17 | N2 | H20 | 120.1° | 119.8° |
| C18 | C17 | N2 | C7 | 116.7° | 124.8° |
| C18 | C17 | H21 | H20 | 119.5° | 120.3° |
| C17 | C18 | C19 | H23 | 56.3° | 63.5° |
| C17 | C18 | C19 | H25 | 63.7° | 176.5° |
| C17 | C18 | C19 | H24 | 176.3° | 56.5° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C6 | 176.8° | 180.0° |
| C17 | N2 | C7 | C6 | 167.6° | 0.0° |
| C17 | N2 | C7 | O | 13.8° | 179.9° |
| C17 | N2 | C16 | H18 | 57.7° | 175.0° |
| C17 | N2 | C16 | H19 | 177.3° | 64.5° |
| N2 | C17 | H21 | H20 | 119.5° | 120.5° |
| N2 | C17 | C18 | H22 | 167.6° | 70.5° |
| N2 | C7 | C6 | C4 | 67.1° | 60.0° |
| N2 | C7 | C6 | C8 | 64.1° | 180.0° |
| N2 | C7 | C6 | O | 178.6° | 179.9° |
| C7 | N2 | C16 | H18 | 119.9° | 5.0° |
| C7 | N2 | C16 | H19 | 0.3° | 115.5° |
| C7 | N2 | C17 | H21 | 3.5° | 115.5° |
| C7 | N2 | C17 | H20 | 123.2° | 5.0° |
| N2 | C7 | C6 | H4 | 179.7° | 60.0° |
| C3 | C4 | C6 | C8 | 162.3° | 120.0° |
| C3 | C4 | C6 | C7 | 67.8° | 120.0° |
| C4 | C3 | C2 | H1 | 178.7° | 180.0° |
| C3 | C4 | C5 | H3 | 179.2° | 180.0° |
| C3 | C4 | C6 | H4 | 45.4° | 0.0° |
| C4 | C6 | C8 | C7 | 127.1° | 120.0° |
| C4 | C6 | C8 | H4 | 117.1° | 120.0° |
| C4 | C6 | C8 | C12 | 56.8° | 60.0° |
| C4 | C6 | C8 | C9 | 178.3° | 180.0° |
| C4 | C6 | C7 | H4 | 113.2° | 120.0° |
| C4 | C6 | C7 | O | 111.5° | 120.0° |
| C6 | C4 | C3 | H2 | 3.2° | 0.0° |
| C6 | C4 | C5 | H3 | 2.0° | 0.0° |
| C4 | C6 | C8 | H5 | 62.6° | 60.0° |
| C6 | C8 | C12 | C9 | 122.6° | 120.0° |
| C6 | C8 | C12 | H5 | 119.3° | 119.9° |
| C6 | C8 | C9 | H5 | 118.9° | 119.9° |
| C8 | C6 | C7 | H4 | 115.6° | 119.9° |
| C8 | C6 | C7 | O | 117.3° | 0.0° |
| C6 | C8 | C12 | C11 | 179.4° | 178.6° |
| C6 | C8 | C9 | C10 | 177.0° | 178.6° |
| C6 | C8 | C12 | H12 | 60.5° | 61.5° |
| C6 | C8 | C12 | H13 | 59.3° | 58.6° |
| C6 | C8 | C9 | H7 | 56.7° | 58.7° |
| C6 | C8 | C9 | H6 | 62.6° | 61.5° |
| C12 | C8 | C9 | H5 | 118.2° | 120.1° |
| C12 | C8 | C6 | C7 | 176.1° | 180.0° |
| C8 | C12 | C11 | H12 | 120.1° | 119.9° |
| C8 | C12 | C11 | H13 | 120.1° | 120.0° |
| C8 | C12 | C11 | N | 59.1° | 54.6° |
| C12 | C8 | C9 | C10 | 54.1° | 61.4° |
| C8 | C12 | C11 | H10 | 61.1° | 65.2° |
| C8 | C12 | C11 | H11 | 179.2° | 174.4° |
| C8 | C12 | H12 | H13 | 119.7° | 120.2° |
| C12 | C8 | C6 | H4 | 60.3° | 60.0° |
| C12 | C8 | C9 | H7 | 66.3° | 178.7° |
| C12 | C8 | C9 | H6 | 174.4° | 58.5° |
| C9 | C8 | C6 | C7 | 54.5° | 59.9° |
| C9 | C8 | C12 | C11 | 56.8° | 61.4° |
| C8 | C9 | C10 | H7 | 120.3° | 119.9° |
| C8 | C9 | C10 | H6 | 120.3° | 119.9° |
| C8 | C9 | C10 | N | 53.2° | 54.6° |
| C9 | C8 | C12 | H12 | 176.9° | 58.5° |
| C9 | C8 | C12 | H13 | 63.3° | 178.6° |
| C8 | C9 | C10 | H9 | 173.4° | 65.1° |
| C8 | C9 | C10 | H8 | 67.2° | 174.5° |
| C9 | C8 | C6 | H4 | 61.2° | 60.1° |
| C8 | C9 | H7 | H6 | 119.0° | 120.1° |
| C7 | C6 | C8 | H5 | 64.5° | 60.0° |
| O | C7 | C6 | H4 | 1.7° | 119.9° |
| C12 | C11 | N | H10 | 120.1° | 119.7° |
| C12 | C11 | N | H11 | 120.2° | 119.8° |
| C12 | C11 | N | C10 | 58.5° | 53.5° |
| C12 | C11 | N | C13 | 121.3° | 126.4° |
| C12 | C11 | H10 | H11 | 119.5° | 120.3° |
| C11 | C12 | H12 | H13 | 119.8° | 120.0° |
| C11 | C12 | C8 | H5 | 61.3° | 58.7° |
| C11 | N | C10 | C9 | 55.3° | 53.6° |
| C11 | N | C10 | C13 | 179.8° | 179.9° |
| C11 | N | C13 | C14 | 126.4° | 180.0° |
| C11 | N | C13 | O1 | 52.0° | 0.1° |
| N | C11 | H10 | H11 | 119.5° | 120.4° |
| N | C11 | C12 | H12 | 179.1° | 65.3° |
| N | C11 | C12 | H13 | 61.0° | 174.6° |
| C11 | N | C10 | H9 | 175.6° | 66.2° |
| C11 | N | C10 | H8 | 65.0° | 173.6° |
| C9 | C10 | N | H9 | 120.3° | 119.8° |
| C9 | C10 | N | H8 | 120.3° | 120.0° |
| C9 | C10 | N | C13 | 124.6° | 126.3° |
| C9 | C10 | H9 | H8 | 119.1° | 120.5° |
| C10 | C9 | C8 | H5 | 64.1° | 58.7° |
| C10 | C9 | H7 | H6 | 119.0° | 120.1° |
| C10 | N | C13 | C14 | 53.8° | 0.1° |
| C10 | N | C13 | O1 | 127.8° | 180.0° |
| C10 | N | C11 | H10 | 61.6° | 66.2° |
| C10 | N | C11 | H11 | 178.7° | 173.3° |
| N | C10 | H9 | H8 | 119.1° | 120.2° |
| N | C10 | C9 | H7 | 67.2° | 174.5° |
| N | C10 | C9 | H6 | 173.5° | 65.3° |
| N | C13 | C14 | O1 | 178.4° | 179.9° |
| C13 | N | C11 | H10 | 118.5° | 113.9° |
| C13 | N | C11 | H11 | 1.2° | 6.6° |
| N | C13 | C14 | H14 | 178.5° | 179.9° |
| N | C13 | C14 | H15 | 61.5° | 60.1° |
| N | C13 | C14 | H16 | 58.5° | 59.9° |
| C13 | N | C10 | H9 | 4.3° | 113.9° |
| C13 | N | C10 | H8 | 115.1° | 6.4° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H16 | 120.0° | 120.0° |
| C13 | C14 | H15 | H16 | 120.0° | 120.1° |
| O1 | C13 | C14 | H14 | 0.0° | 0.0° |
| O1 | C13 | C14 | H15 | 120.0° | 120.0° |
| O1 | C13 | C14 | H16 | 120.0° | 120.0° |
| H1 | C2 | C3 | H2 | 1.3° | 0.0° |
| H10 | C11 | C12 | H12 | 59.0° | 174.9° |
| H10 | C11 | C12 | H13 | 178.8° | 54.9° |
| H11 | C11 | C12 | H12 | 60.7° | 54.5° |
| H11 | C11 | C12 | H13 | 59.2° | 65.6° |
| H12 | C12 | C8 | H5 | 58.8° | 178.6° |
| H13 | C12 | C8 | H5 | 178.6° | 61.3° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | C16 | H18 | 42.0° | 49.5° |
| H17 | C15 | C16 | H19 | 77.5° | 169.9° |
| H17 | C15 | C20 | H28 | 62.6° | 171.8° |
| H17 | C15 | C20 | H26 | 57.4° | 68.2° |
| H17 | C15 | C20 | H27 | 177.4° | 51.8° |
| H21 | C17 | C18 | H22 | 72.3° | 169.8° |
| H20 | C17 | C18 | H22 | 47.4° | 49.4° |
| H22 | C18 | C19 | H23 | 61.6° | 176.2° |
| H22 | C18 | C19 | H25 | 178.4° | 56.2° |
| H22 | C18 | C19 | H24 | 58.4° | 63.8° |
| H23 | C19 | H25 | H24 | 120.0° | 120.1° |
| H28 | C20 | H26 | H27 | 120.0° | 120.0° |
| H31 | C22 | H29 | CL1 | 119.0° | 120.0° |
| H | C | C5 | H3 | 1.4° | 0.0° |
| H9 | C10 | C9 | H7 | 53.1° | 54.8° |
| H9 | C10 | C9 | H6 | 66.2° | 174.9° |
| H8 | C10 | C9 | H7 | 172.5° | 65.6° |
| H8 | C10 | C9 | H6 | 53.2° | 54.6° |
| H4 | C6 | C8 | H5 | 179.7° | 179.9° |
| H5 | C8 | C9 | H7 | 175.6° | 61.2° |
| H5 | C8 | C9 | H6 | 56.3° | 178.6° |
