SJF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C7 | sing | 1.74Å | 1.79Å | |
| CL2 | C6 | sing | 1.74Å | 1.80Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.54Å | 1.51Å | |
| C13 | N13 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C34 | sing | 1.56Å | 1.50Å | |
| C16 | C1 | sing | 1.54Å | 1.52Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.36Å | 1.37Å | |
| O38 | C15 | doub | 1.21Å | 1.22Å | |
| C11 | O1 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C34 | C14 | sing | 1.54Å | 1.52Å | |
| C34 | C2 | sing | 1.54Å | 1.51Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C1 | C10 | sing | 1.54Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C2 | C10 | sing | 1.54Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C8 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| O9 | C8 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | 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 | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.08Å | 1.08Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| N16 | H27 | sing | 0.97Å | 1.00Å | |
| N23 | H28 | sing | 0.97Å | 1.00Å | |
| O9 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C7 | C6 | 121.4° | 120.0° |
| CL1 | C7 | C9 | 117.9° | 120.0° |
| CL2 | C6 | C7 | 119.2° | 120.0° |
| CL2 | C6 | C5 | 121.1° | 120.0° |
| C6 | C7 | C9 | 120.6° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.1° |
| C7 | C9 | C3 | 120.4° | 119.9° |
| C7 | C9 | H26 | 119.8° | 120.0° |
| C6 | C5 | C4 | 119.5° | 120.1° |
| C6 | C5 | H23 | 120.3° | 120.0° |
| C9 | C3 | C4 | 119.5° | 120.0° |
| C9 | C3 | O1 | 119.1° | 120.1° |
| C3 | C9 | H26 | 119.8° | 120.1° |
| C16 | C13 | N13 | 102.5° | 105.3° |
| C13 | C16 | C34 | 106.1° | 101.9° |
| C13 | C16 | C1 | 110.2° | 109.3° |
| C16 | C13 | H7 | 111.2° | 110.2° |
| C16 | C13 | H8 | 111.2° | 110.3° |
| C13 | C16 | H10 | 111.6° | 113.4° |
| C13 | N13 | C12 | 125.7° | 125.6° |
| C13 | N13 | C14 | 114.0° | 108.7° |
| N13 | C13 | H7 | 111.1° | 110.3° |
| N13 | C13 | H8 | 111.2° | 110.3° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C5 | C4 | H22 | 119.8° | 120.0° |
| C4 | C5 | H23 | 120.3° | 120.0° |
| C34 | C16 | C1 | 105.5° | 103.6° |
| C16 | C34 | C14 | 105.9° | 103.0° |
| C16 | C34 | C2 | 105.5° | 104.6° |
| C34 | C16 | H10 | 111.7° | 113.6° |
| C16 | C34 | H21 | 111.6° | 113.2° |
| C16 | C1 | C10 | 107.2° | 105.1° |
| C16 | C1 | H1 | 110.0° | 110.4° |
| C16 | C1 | H2 | 110.0° | 110.4° |
| C1 | C16 | H10 | 111.4° | 114.0° |
| C4 | C3 | O1 | 121.4° | 120.0° |
| C3 | C4 | H22 | 119.9° | 120.0° |
| C3 | O1 | C11 | 121.4° | 117.0° |
| O38 | C15 | C14 | 120.2° | 120.0° |
| O38 | C15 | N16 | 122.9° | 120.0° |
| O1 | C11 | C12 | 111.0° | 109.4° |
| O1 | C11 | H5 | 109.1° | 109.5° |
| O1 | C11 | H6 | 109.1° | 109.5° |
| C11 | C12 | N13 | 116.0° | 120.0° |
| C11 | C12 | O33 | 121.8° | 120.0° |
| C12 | C11 | H5 | 109.1° | 109.5° |
| C12 | C11 | H6 | 109.1° | 109.4° |
| C14 | C34 | C2 | 110.6° | 108.6° |
| C34 | C14 | N13 | 102.7° | 107.6° |
| C34 | C14 | C15 | 109.5° | 109.8° |
| C34 | C14 | H9 | 110.2° | 109.8° |
| C14 | C34 | H21 | 111.4° | 113.0° |
| C34 | C2 | C10 | 106.2° | 107.3° |
| C34 | C2 | H14 | 110.3° | 109.9° |
| C34 | C2 | H15 | 110.3° | 110.0° |
| C2 | C34 | H21 | 111.5° | 113.5° |
| C12 | N13 | C14 | 120.3° | 125.6° |
| N13 | C12 | O33 | 122.2° | 120.0° |
| N13 | C14 | C15 | 112.7° | 109.8° |
| N13 | C14 | H9 | 111.0° | 109.8° |
| C1 | C10 | C2 | 106.2° | 106.7° |
| C10 | C1 | H1 | 110.0° | 110.3° |
| C10 | C1 | H2 | 110.1° | 110.3° |
| C1 | C10 | H3 | 110.3° | 110.0° |
| C1 | C10 | H4 | 110.3° | 110.1° |
| C14 | C15 | N16 | 116.9° | 120.0° |
| C15 | C14 | H9 | 110.4° | 109.8° |
| C15 | N16 | C17 | 121.2° | 120.0° |
| C15 | N16 | H27 | 119.4° | 120.0° |
| C2 | C10 | H3 | 110.3° | 110.0° |
| C2 | C10 | H4 | 110.3° | 110.0° |
| C10 | C2 | H14 | 110.3° | 109.9° |
| C10 | C2 | H15 | 110.3° | 109.9° |
| C22 | C21 | C20 | 104.8° | 101.8° |
| C21 | C22 | N23 | 104.8° | 105.4° |
| C22 | C21 | H17 | 110.6° | 111.0° |
| C22 | C21 | H18 | 110.7° | 111.0° |
| C21 | C22 | H19 | 110.6° | 110.3° |
| C21 | C22 | H20 | 110.6° | 110.3° |
| C21 | C20 | C19 | 112.1° | 110.5° |
| C21 | C20 | C24 | 102.3° | 104.2° |
| C21 | C20 | H16 | 109.7° | 110.6° |
| C20 | C21 | H17 | 110.6° | 111.0° |
| C20 | C21 | H18 | 110.6° | 111.0° |
| C22 | N23 | C24 | 111.8° | 111.3° |
| N23 | C22 | H19 | 110.6° | 110.3° |
| N23 | C22 | H20 | 110.6° | 110.2° |
| C22 | N23 | H28 | 124.1° | 124.3° |
| N16 | C17 | C8 | 108.2° | 109.4° |
| N16 | C17 | C19 | 110.9° | 109.5° |
| N16 | C17 | H11 | 109.7° | 109.5° |
| C17 | N16 | H27 | 119.4° | 120.0° |
| C8 | C17 | C19 | 110.8° | 109.4° |
| C17 | C8 | O9 | 110.4° | 109.5° |
| C8 | C17 | H11 | 108.6° | 109.5° |
| C17 | C8 | H24 | 109.2° | 109.4° |
| C17 | C8 | H25 | 109.2° | 109.5° |
| C17 | C19 | C20 | 110.6° | 109.5° |
| C19 | C17 | H11 | 108.6° | 109.5° |
| C17 | C19 | H12 | 109.2° | 109.5° |
| C17 | C19 | H13 | 109.2° | 109.5° |
| O9 | C8 | H24 | 109.2° | 109.5° |
| O9 | C8 | H25 | 109.2° | 109.5° |
| C8 | O9 | H29 | 109.5° | 114.1° |
| C19 | C20 | C24 | 113.1° | 110.5° |
| C20 | C19 | H12 | 109.2° | 109.5° |
| C20 | C19 | H13 | 109.2° | 109.5° |
| C19 | C20 | H16 | 109.5° | 110.5° |
| C20 | C24 | N23 | 111.0° | 110.1° |
| C20 | C24 | O26 | 122.8° | 124.9° |
| C24 | C20 | H16 | 109.9° | 110.5° |
| N23 | C24 | O26 | 126.2° | 124.9° |
| C24 | N23 | H28 | 124.1° | 124.4° |
| H1 | C1 | H2 | 109.5° | 110.2° |
| H3 | C10 | H4 | 109.5° | 110.0° |
| H5 | C11 | H6 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 110.3° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.8° |
| H17 | C21 | H18 | 109.5° | 110.9° |
| H19 | C22 | H20 | 109.5° | 110.3° |
| H24 | C8 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C7 | C6 | CL2 | 0.9° | 0.0° |
| CL1 | C7 | C6 | C9 | 179.0° | 179.8° |
| CL1 | C7 | C6 | C5 | 179.4° | 180.0° |
| CL1 | C7 | C9 | C3 | 179.6° | 179.7° |
| CL1 | C7 | C9 | H26 | 0.4° | 0.2° |
| CL2 | C6 | C7 | C5 | 179.7° | 180.0° |
| CL2 | C6 | C7 | C9 | 179.9° | 179.8° |
| CL2 | C6 | C5 | C4 | 179.6° | 179.9° |
| CL2 | C6 | C5 | H23 | 0.4° | 0.1° |
| C6 | C7 | C9 | C3 | 0.5° | 0.5° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C7 | C6 | C5 | H23 | 179.8° | 179.9° |
| C6 | C7 | C9 | H26 | 179.5° | 180.0° |
| C9 | C7 | C6 | C5 | 0.3° | 0.2° |
| C7 | C9 | C3 | H26 | 180.0° | 179.6° |
| C7 | C9 | C3 | C4 | 0.2° | 0.5° |
| C7 | C9 | C3 | O1 | 179.6° | 179.8° |
| C6 | C5 | C4 | H23 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C6 | C5 | C4 | H22 | 179.6° | 179.9° |
| C9 | C3 | C4 | C5 | 0.3° | 0.2° |
| C9 | C3 | C4 | O1 | 179.8° | 179.8° |
| C9 | C3 | O1 | C11 | 8.5° | 0.2° |
| C9 | C3 | C4 | H22 | 179.8° | 179.8° |
| C16 | C13 | N13 | H7 | 118.9° | 118.9° |
| C16 | C13 | N13 | H8 | 118.9° | 119.0° |
| C13 | C16 | C34 | C1 | 116.9° | 113.4° |
| C13 | C16 | C34 | H10 | 121.9° | 122.3° |
| C13 | C16 | C1 | H10 | 124.5° | 128.0° |
| C13 | C16 | C34 | C14 | 30.3° | 33.7° |
| C13 | C16 | C34 | C2 | 147.6° | 79.8° |
| C16 | C13 | N13 | C12 | 167.0° | 156.2° |
| C16 | C13 | N13 | C14 | 13.2° | 23.9° |
| C13 | C16 | C1 | C10 | 135.1° | 73.1° |
| C13 | C16 | C1 | H1 | 15.5° | 167.9° |
| C13 | C16 | C1 | H2 | 105.2° | 45.8° |
| C16 | C13 | H7 | H8 | 123.2° | 122.0° |
| C13 | C16 | C34 | H21 | 91.1° | 156.1° |
| N13 | C13 | C16 | C34 | 26.2° | 35.7° |
| N13 | C13 | C16 | C1 | 87.5° | 144.8° |
| C13 | N13 | C12 | C11 | 4.7° | 0.0° |
| C13 | N13 | C14 | C34 | 4.9° | 1.8° |
| C13 | N13 | C12 | C14 | 179.7° | 179.9° |
| C13 | N13 | C12 | O33 | 176.4° | 180.0° |
| C13 | N13 | C14 | C15 | 122.6° | 121.3° |
| N13 | C13 | H7 | H8 | 123.2° | 122.1° |
| C13 | N13 | C14 | H9 | 113.0° | 117.8° |
| N13 | C13 | C16 | H10 | 148.1° | 86.8° |
| C5 | C4 | C3 | H22 | 180.0° | 180.0° |
| C5 | C4 | C3 | O1 | 179.9° | 179.9° |
| C34 | C16 | C1 | H10 | 121.4° | 124.0° |
| C16 | C34 | C14 | C2 | 113.8° | 110.6° |
| C16 | C34 | C14 | H21 | 121.6° | 122.5° |
| C16 | C34 | C2 | H21 | 121.4° | 123.9° |
| C16 | C34 | C14 | N13 | 21.2° | 20.6° |
| C34 | C16 | C1 | C10 | 21.0° | 34.9° |
| C16 | C34 | C14 | C15 | 141.2° | 99.0° |
| C16 | C34 | C2 | C10 | 28.8° | 19.8° |
| C34 | C16 | C1 | H1 | 98.7° | 84.0° |
| C34 | C16 | C1 | H2 | 140.6° | 153.9° |
| C34 | C16 | C13 | H7 | 92.6° | 154.6° |
| C34 | C16 | C13 | H8 | 145.1° | 83.3° |
| C16 | C34 | C14 | H9 | 97.1° | 140.1° |
| C16 | C34 | C2 | H14 | 90.7° | 99.6° |
| C16 | C34 | C2 | H15 | 148.3° | 139.3° |
| C1 | C16 | C34 | C14 | 86.6° | 147.2° |
| C1 | C16 | C34 | C2 | 30.7° | 33.7° |
| C16 | C1 | C10 | H1 | 119.6° | 118.9° |
| C16 | C1 | C10 | H2 | 119.6° | 119.0° |
| C16 | C1 | C10 | C2 | 3.2° | 22.9° |
| C16 | C1 | H1 | H2 | 121.0° | 122.2° |
| C16 | C1 | C10 | H3 | 122.7° | 96.4° |
| C16 | C1 | C10 | H4 | 116.3° | 142.3° |
| C1 | C16 | C13 | H7 | 153.6° | 96.2° |
| C1 | C16 | C13 | H8 | 31.4° | 25.8° |
| C1 | C16 | C34 | H21 | 152.0° | 90.5° |
| C4 | C3 | O1 | C11 | 171.3° | 180.0° |
| C3 | C4 | C5 | H23 | 179.5° | 180.0° |
| C4 | C3 | C9 | H26 | 179.8° | 180.0° |
| C3 | O1 | C11 | C12 | 77.0° | 180.0° |
| C3 | O1 | C11 | H5 | 162.8° | 60.0° |
| C3 | O1 | C11 | H6 | 43.3° | 60.1° |
| O1 | C3 | C4 | H22 | 0.1° | 0.0° |
| O1 | C3 | C9 | H26 | 0.4° | 0.2° |
| O38 | C15 | C14 | C34 | 70.9° | 99.8° |
| O38 | C15 | C14 | N13 | 42.7° | 18.4° |
| O38 | C15 | C14 | N16 | 179.4° | 180.0° |
| O38 | C15 | N16 | C17 | 2.3° | 0.1° |
| O38 | C15 | C14 | H9 | 167.5° | 139.3° |
| O38 | C15 | N16 | H27 | 177.7° | 180.0° |
| O1 | C11 | C12 | H5 | 120.2° | 120.0° |
| O1 | C11 | C12 | H6 | 120.2° | 120.0° |
| O1 | C11 | C12 | N13 | 167.4° | 180.0° |
| O1 | C11 | C12 | O33 | 11.6° | 0.0° |
| O1 | C11 | H5 | H6 | 119.3° | 120.0° |
| C11 | C12 | N13 | O33 | 178.9° | 180.0° |
| C11 | C12 | N13 | C14 | 175.0° | 179.9° |
| C12 | C11 | H5 | H6 | 119.3° | 120.0° |
| C14 | C34 | C2 | H21 | 124.6° | 126.7° |
| C34 | C14 | N13 | C12 | 174.9° | 178.3° |
| C34 | C14 | N13 | C15 | 117.7° | 119.5° |
| C34 | C14 | N13 | H9 | 117.8° | 119.6° |
| C34 | C14 | C15 | H9 | 121.6° | 120.9° |
| C34 | C14 | C15 | N16 | 108.5° | 80.2° |
| C14 | C34 | C2 | C10 | 85.2° | 129.3° |
| C14 | C34 | C16 | H10 | 152.2° | 88.6° |
| C14 | C34 | C2 | H14 | 155.3° | 9.9° |
| C14 | C34 | C2 | H15 | 34.3° | 111.2° |
| C2 | C34 | C14 | N13 | 135.1° | 90.0° |
| C34 | C2 | C10 | C1 | 15.6° | 1.7° |
| C2 | C34 | C14 | C15 | 104.9° | 150.4° |
| C34 | C2 | C10 | H14 | 119.5° | 119.4° |
| C34 | C2 | C10 | H15 | 119.5° | 119.6° |
| C34 | C2 | C10 | H3 | 103.9° | 117.6° |
| C34 | C2 | C10 | H4 | 135.1° | 121.1° |
| C2 | C34 | C14 | H9 | 16.7° | 29.5° |
| C2 | C34 | C16 | H10 | 90.5° | 157.9° |
| C34 | C2 | H14 | H15 | 121.5° | 121.2° |
| C12 | N13 | C14 | C15 | 57.2° | 58.8° |
| N13 | C12 | C11 | H5 | 72.4° | 60.0° |
| N13 | C12 | C11 | H6 | 47.2° | 60.0° |
| C12 | N13 | C13 | H7 | 74.1° | 37.3° |
| C12 | N13 | C13 | H8 | 48.1° | 84.8° |
| C12 | N13 | C14 | H9 | 67.3° | 62.1° |
| C14 | N13 | C12 | O33 | 3.9° | 0.1° |
| N13 | C14 | C15 | H9 | 124.7° | 120.9° |
| N13 | C14 | C15 | N16 | 137.8° | 161.6° |
| C14 | N13 | C13 | H7 | 105.6° | 142.8° |
| C14 | N13 | C13 | H8 | 132.1° | 95.1° |
| N13 | C14 | C34 | H21 | 100.3° | 143.0° |
| C1 | C10 | C2 | H3 | 119.5° | 119.3° |
| C1 | C10 | C2 | H4 | 119.5° | 119.4° |
| C10 | C1 | H1 | H2 | 121.1° | 122.1° |
| C1 | C10 | H3 | H4 | 121.5° | 121.4° |
| C10 | C1 | C16 | H10 | 100.4° | 158.8° |
| C1 | C10 | C2 | H14 | 103.9° | 121.1° |
| C1 | C10 | C2 | H15 | 135.1° | 117.9° |
| O33 | C12 | C11 | H5 | 108.7° | 120.0° |
| O33 | C12 | C11 | H6 | 131.8° | 120.0° |
| C14 | C15 | N16 | C17 | 178.3° | 180.0° |
| C15 | C14 | C34 | H21 | 19.7° | 23.5° |
| C14 | C15 | N16 | H27 | 1.7° | 0.1° |
| C15 | N16 | C17 | H27 | 180.0° | 179.9° |
| C15 | N16 | C17 | C8 | 123.5° | 85.1° |
| C15 | N16 | C17 | C19 | 114.8° | 155.0° |
| N16 | C15 | C14 | H9 | 13.1° | 40.8° |
| C15 | N16 | C17 | H11 | 5.1° | 35.0° |
| C2 | C10 | C1 | H1 | 116.4° | 96.0° |
| C2 | C10 | C1 | H2 | 122.9° | 142.0° |
| C2 | C10 | H3 | H4 | 121.5° | 121.3° |
| C10 | C2 | H14 | H15 | 121.4° | 121.0° |
| C10 | C2 | C34 | H21 | 150.2° | 104.1° |
| C22 | C21 | C20 | H17 | 119.3° | 118.1° |
| C22 | C21 | C20 | H18 | 119.3° | 118.1° |
| C21 | C22 | N23 | H19 | 119.2° | 119.0° |
| C21 | C22 | N23 | H20 | 119.2° | 119.0° |
| C22 | C21 | C20 | C19 | 144.0° | 93.9° |
| C22 | C21 | C20 | C24 | 22.5° | 24.8° |
| C21 | C22 | N23 | C24 | 7.9° | 17.0° |
| C22 | C21 | C20 | H16 | 94.1° | 143.5° |
| C22 | C21 | H17 | H18 | 122.2° | 123.8° |
| C21 | C22 | H19 | H20 | 122.2° | 122.0° |
| C21 | C22 | N23 | H28 | 172.1° | 163.1° |
| C20 | C21 | C22 | N23 | 19.2° | 25.4° |
| C21 | C20 | C19 | C17 | 68.7° | 178.8° |
| C21 | C20 | C19 | C24 | 115.1° | 114.8° |
| C21 | C20 | C19 | H16 | 121.9° | 122.7° |
| C21 | C20 | C24 | H16 | 116.5° | 118.8° |
| C21 | C20 | C24 | N23 | 19.1° | 16.2° |
| C21 | C20 | C24 | O26 | 160.0° | 163.8° |
| C21 | C20 | C19 | H12 | 171.1° | 61.2° |
| C21 | C20 | C19 | H13 | 51.4° | 58.8° |
| C20 | C21 | H17 | H18 | 122.2° | 123.8° |
| C20 | C21 | C22 | H19 | 138.5° | 93.6° |
| C20 | C21 | C22 | H20 | 100.0° | 144.4° |
| C22 | N23 | C24 | C20 | 7.3° | 0.4° |
| C22 | N23 | C24 | H28 | 180.0° | 179.9° |
| C22 | N23 | C24 | O26 | 171.8° | 179.6° |
| N23 | C22 | C21 | H17 | 138.5° | 143.6° |
| N23 | C22 | C21 | H18 | 100.0° | 92.7° |
| N23 | C22 | H19 | H20 | 122.2° | 121.9° |
| N16 | C17 | C8 | C19 | 121.8° | 120.0° |
| N16 | C17 | C8 | H11 | 119.0° | 120.0° |
| N16 | C17 | C19 | H11 | 120.5° | 120.0° |
| N16 | C17 | C8 | O9 | 171.7° | 65.0° |
| N16 | C17 | C19 | C20 | 65.8° | 65.0° |
| N16 | C17 | C19 | H12 | 54.4° | 54.9° |
| N16 | C17 | C19 | H13 | 174.0° | 175.0° |
| N16 | C17 | C8 | H24 | 68.2° | 55.1° |
| N16 | C17 | C8 | H25 | 51.5° | 175.0° |
| C8 | C17 | C19 | H11 | 119.3° | 120.0° |
| C17 | C8 | O9 | H24 | 120.1° | 120.0° |
| C17 | C8 | O9 | H25 | 120.2° | 120.0° |
| C8 | C17 | C19 | C20 | 174.0° | 175.0° |
| C8 | C17 | C19 | H12 | 65.9° | 65.0° |
| C8 | C17 | C19 | H13 | 53.8° | 55.0° |
| C17 | C8 | H24 | H25 | 119.6° | 120.0° |
| C8 | C17 | N16 | H27 | 56.5° | 95.0° |
| C17 | C8 | O9 | H29 | 180.0° | 180.0° |
| C19 | C17 | C8 | O9 | 66.5° | 55.0° |
| C17 | C19 | C20 | H12 | 120.2° | 120.0° |
| C17 | C19 | C20 | H13 | 120.2° | 120.0° |
| C17 | C19 | C20 | C24 | 176.2° | 66.5° |
| C17 | C19 | H12 | H13 | 119.5° | 120.0° |
| C17 | C19 | C20 | H16 | 53.2° | 56.1° |
| C19 | C17 | C8 | H24 | 53.6° | 175.0° |
| C19 | C17 | C8 | H25 | 173.3° | 65.0° |
| C19 | C17 | N16 | H27 | 65.3° | 24.9° |
| O9 | C8 | C17 | H11 | 52.7° | 175.0° |
| O9 | C8 | H24 | H25 | 119.6° | 120.0° |
| C19 | C20 | C24 | H16 | 122.8° | 122.5° |
| C19 | C20 | C24 | N23 | 139.8° | 102.4° |
| C19 | C20 | C24 | O26 | 39.3° | 77.6° |
| C20 | C19 | C17 | H11 | 54.7° | 55.0° |
| C20 | C19 | H12 | H13 | 119.5° | 120.0° |
| C19 | C20 | C21 | H17 | 96.7° | 24.3° |
| C19 | C20 | C21 | H18 | 24.7° | 148.0° |
| C20 | C24 | N23 | O26 | 179.1° | 180.0° |
| C24 | C20 | C19 | H12 | 56.0° | 53.5° |
| C24 | C20 | C19 | H13 | 63.6° | 173.5° |
| C24 | C20 | C21 | H17 | 141.8° | 142.9° |
| C24 | C20 | C21 | H18 | 96.7° | 93.3° |
| C20 | C24 | N23 | H28 | 172.7° | 179.7° |
| N23 | C24 | C20 | H16 | 97.4° | 135.0° |
| C24 | N23 | C22 | H19 | 127.2° | 102.0° |
| C24 | N23 | C22 | H20 | 111.3° | 136.0° |
| O26 | C24 | C20 | H16 | 83.5° | 45.0° |
| O26 | C24 | N23 | H28 | 8.2° | 0.3° |
| H1 | C1 | C10 | H3 | 3.1° | 144.7° |
| H1 | C1 | C10 | H4 | 124.1° | 23.4° |
| H1 | C1 | C16 | H10 | 139.9° | 39.9° |
| H2 | C1 | C10 | H3 | 117.7° | 22.7° |
| H2 | C1 | C10 | H4 | 3.4° | 98.7° |
| H2 | C1 | C16 | H10 | 19.2° | 82.2° |
| H3 | C10 | C2 | H14 | 136.6° | 1.9° |
| H3 | C10 | C2 | H15 | 15.7° | 122.8° |
| H4 | C10 | C2 | H14 | 15.6° | 119.5° |
| H4 | C10 | C2 | H15 | 105.4° | 1.5° |
| H7 | C13 | C16 | H10 | 29.3° | 32.1° |
| H8 | C13 | C16 | H10 | 93.0° | 154.2° |
| H9 | C14 | C34 | H21 | 141.4° | 97.4° |
| H10 | C16 | C34 | H21 | 30.8° | 33.8° |
| H11 | C17 | C19 | H12 | 174.9° | 175.0° |
| H11 | C17 | C19 | H13 | 65.5° | 65.0° |
| H11 | C17 | C8 | H24 | 172.8° | 65.0° |
| H11 | C17 | C8 | H25 | 67.5° | 55.0° |
| H11 | C17 | N16 | H27 | 174.9° | 144.9° |
| H12 | C19 | C20 | H16 | 67.0° | 176.1° |
| H13 | C19 | C20 | H16 | 173.4° | 63.9° |
| H14 | C2 | C34 | H21 | 30.7° | 136.5° |
| H15 | C2 | C34 | H21 | 90.3° | 15.5° |
| H16 | C20 | C21 | H17 | 25.1° | 98.3° |
| H16 | C20 | C21 | H18 | 146.6° | 25.4° |
| H17 | C21 | C22 | H19 | 102.3° | 24.6° |
| H17 | C21 | C22 | H20 | 19.2° | 97.5° |
| H18 | C21 | C22 | H19 | 19.2° | 148.3° |
| H18 | C21 | C22 | H20 | 140.7° | 26.3° |
| H19 | C22 | N23 | H28 | 52.8° | 77.9° |
| H20 | C22 | N23 | H28 | 68.7° | 44.1° |
| H22 | C4 | C5 | H23 | 0.5° | 0.1° |
| H24 | C8 | O9 | H29 | 59.9° | 60.0° |
| H25 | C8 | O9 | H29 | 59.8° | 60.0° |
