A1CSX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C9 | sing | 1.35Å | 1.32Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | O11 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C12 | sing | 1.51Å | 1.51Å | |
| C7 | N6 | sing | 1.46Å | 1.47Å | |
| CL1 | C14 | sing | 1.74Å | 1.72Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| F17 | C16 | sing | 1.35Å | 1.36Å | |
| C12 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C4 | sing | 1.35Å | 1.34Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.47Å | 1.51Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| N1 | C29 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C20 | sing | 1.47Å | 1.43Å | Aromatic |
| C29 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.48Å | 1.48Å | |
| C20 | C21 | sing | 1.48Å | 1.46Å | |
| F28 | C27 | sing | 1.35Å | 1.34Å | |
| C31 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | N32 | doub | 1.31Å | 1.32Å | Aromatic |
| C30 | C42 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| N32 | N33 | sing | 1.40Å | 1.36Å | Aromatic |
| C42 | N33 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| N33 | C34 | sing | 1.46Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | CL2 | sing | 1.74Å | 1.75Å | |
| C35 | C34 | sing | 1.53Å | 1.50Å | |
| C35 | N36 | sing | 1.47Å | 1.51Å | |
| C41 | N36 | sing | 1.47Å | 1.52Å | |
| C41 | C40 | sing | 1.53Å | 1.51Å | |
| N36 | C37 | sing | 1.47Å | 1.50Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C40 | O39 | sing | 1.43Å | 1.44Å | |
| O39 | C38 | sing | 1.43Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C9 | C8 | 116.6° | 120.0° |
| N10 | C9 | O11 | 123.2° | 120.0° |
| C9 | N10 | H10 | 120.0° | 120.0° |
| C9 | N10 | H11 | 120.0° | 120.0° |
| C8 | C9 | O11 | 120.2° | 120.0° |
| C9 | C8 | C7 | 110.1° | 109.5° |
| C9 | C8 | H3 | 109.3° | 109.4° |
| C9 | C8 | H4 | 109.3° | 109.5° |
| C8 | C7 | C12 | 108.9° | 109.5° |
| C8 | C7 | N6 | 109.8° | 109.5° |
| C8 | C7 | H2 | 107.9° | 109.5° |
| C7 | C8 | H3 | 109.3° | 109.5° |
| C7 | C8 | H4 | 109.3° | 109.5° |
| C12 | C7 | N6 | 113.7° | 109.4° |
| C7 | C12 | C13 | 120.8° | 120.0° |
| C7 | C12 | C19 | 119.9° | 120.0° |
| C12 | C7 | H2 | 108.0° | 109.5° |
| C7 | N6 | C4 | 121.1° | 120.0° |
| N6 | C7 | H2 | 108.5° | 109.5° |
| C7 | N6 | H9 | 119.5° | 120.0° |
| CL1 | C14 | C13 | 119.8° | 120.0° |
| CL1 | C14 | C16 | 120.5° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C13 | C14 | C16 | 119.7° | 119.9° |
| C14 | C13 | H5 | 119.9° | 120.0° |
| C13 | C12 | C19 | 118.9° | 120.1° |
| C12 | C13 | H5 | 119.9° | 119.9° |
| C14 | C16 | F17 | 119.4° | 120.0° |
| C14 | C16 | C18 | 121.3° | 119.9° |
| F17 | C16 | C18 | 119.3° | 120.0° |
| C12 | C19 | C18 | 121.0° | 120.1° |
| C12 | C19 | H13 | 119.5° | 120.0° |
| C16 | C18 | C19 | 118.8° | 120.0° |
| C16 | C18 | H12 | 120.6° | 120.0° |
| C19 | C18 | H12 | 120.6° | 120.0° |
| C18 | C19 | H13 | 119.5° | 120.0° |
| N6 | C4 | C3 | 116.6° | 120.0° |
| N6 | C4 | O5 | 122.3° | 120.0° |
| C4 | N6 | H9 | 119.5° | 120.0° |
| N1 | C2 | C3 | 108.6° | 109.1° |
| C2 | N1 | C29 | 109.4° | 110.4° |
| C2 | N1 | H1 | 125.3° | 124.9° |
| N1 | C2 | H8 | 125.7° | 125.4° |
| C2 | C3 | C4 | 127.8° | 126.8° |
| C2 | C3 | C20 | 106.4° | 106.3° |
| C3 | C2 | H8 | 125.7° | 125.5° |
| C3 | C4 | O5 | 121.1° | 120.0° |
| C4 | C3 | C20 | 125.7° | 126.8° |
| N1 | C29 | C20 | 107.9° | 108.2° |
| N1 | C29 | C30 | 121.6° | 125.9° |
| C29 | N1 | H1 | 125.3° | 124.7° |
| C3 | C20 | C29 | 107.6° | 106.0° |
| C3 | C20 | C21 | 128.4° | 127.0° |
| C20 | C29 | C30 | 130.4° | 125.9° |
| C29 | C20 | C21 | 123.8° | 127.0° |
| C29 | C30 | C31 | 127.5° | 126.3° |
| C29 | C30 | C42 | 128.1° | 126.2° |
| C20 | C21 | C27 | 122.7° | 120.1° |
| C20 | C21 | C22 | 120.2° | 120.1° |
| F28 | C27 | C21 | 118.7° | 120.1° |
| F28 | C27 | C26 | 117.6° | 120.1° |
| C30 | C31 | N32 | 112.3° | 108.1° |
| C31 | C30 | C42 | 104.3° | 107.5° |
| C30 | C31 | H15 | 123.8° | 125.9° |
| C31 | N32 | N33 | 104.4° | 108.6° |
| N32 | C31 | H15 | 123.8° | 126.0° |
| C30 | C42 | N33 | 106.8° | 107.6° |
| C30 | C42 | H29 | 126.6° | 126.2° |
| C27 | C21 | C22 | 117.0° | 119.7° |
| C21 | C27 | C26 | 123.6° | 119.8° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C21 | C22 | H6 | 119.6° | 120.0° |
| C27 | C26 | C24 | 117.6° | 120.1° |
| C27 | C26 | H7 | 121.2° | 120.0° |
| N32 | N33 | C42 | 112.2° | 108.2° |
| N32 | N33 | C34 | 119.9° | 125.9° |
| C42 | N33 | C34 | 127.9° | 125.9° |
| N33 | C42 | H29 | 126.6° | 126.2° |
| C22 | C23 | C24 | 119.3° | 120.2° |
| C23 | C22 | H6 | 119.6° | 120.1° |
| C22 | C23 | H14 | 120.3° | 119.9° |
| C26 | C24 | C23 | 121.7° | 120.3° |
| C26 | C24 | CL2 | 118.9° | 119.8° |
| C24 | C26 | H7 | 121.2° | 120.0° |
| N33 | C34 | C35 | 109.2° | 109.5° |
| N33 | C34 | H16 | 109.5° | 109.5° |
| N33 | C34 | H17 | 109.5° | 109.4° |
| C23 | C24 | CL2 | 119.4° | 119.9° |
| C24 | C23 | H14 | 120.4° | 119.9° |
| C34 | C35 | N36 | 114.3° | 109.5° |
| C35 | C34 | H16 | 109.6° | 109.5° |
| C35 | C34 | H17 | 109.5° | 109.5° |
| C34 | C35 | H18 | 108.3° | 109.5° |
| C34 | C35 | H19 | 108.2° | 109.5° |
| C35 | N36 | C41 | 113.6° | 111.0° |
| C35 | N36 | C37 | 112.1° | 111.0° |
| N36 | C35 | H18 | 108.2° | 109.4° |
| N36 | C35 | H19 | 108.3° | 109.5° |
| N36 | C41 | C40 | 110.1° | 109.3° |
| C41 | N36 | C37 | 109.4° | 110.7° |
| N36 | C41 | H27 | 109.3° | 109.5° |
| N36 | C41 | H28 | 109.3° | 109.4° |
| C41 | C40 | O39 | 111.5° | 109.3° |
| C41 | C40 | H25 | 109.0° | 109.5° |
| C41 | C40 | H26 | 109.0° | 109.5° |
| C40 | C41 | H27 | 109.3° | 109.6° |
| C40 | C41 | H28 | 109.3° | 109.5° |
| N36 | C37 | C38 | 109.7° | 109.3° |
| N36 | C37 | H21 | 109.4° | 109.5° |
| N36 | C37 | H22 | 109.5° | 109.5° |
| C37 | C38 | O39 | 111.3° | 109.3° |
| C38 | C37 | H21 | 109.4° | 109.5° |
| C38 | C37 | H22 | 109.4° | 109.5° |
| C37 | C38 | H23 | 109.0° | 109.5° |
| C37 | C38 | H24 | 109.0° | 109.5° |
| C40 | O39 | C38 | 110.2° | 113.7° |
| O39 | C40 | H25 | 109.0° | 109.5° |
| O39 | C40 | H26 | 109.0° | 109.6° |
| O39 | C38 | H23 | 109.0° | 109.5° |
| O39 | C38 | H24 | 109.0° | 109.5° |
| H3 | C8 | H4 | 109.4° | 109.5° |
| H10 | N10 | H11 | 120.0° | 120.0° |
| H16 | C34 | H17 | 109.5° | 109.4° |
| H18 | C35 | H19 | 109.5° | 109.5° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H25 | C40 | H26 | 109.4° | 109.5° |
| H27 | C41 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C9 | C8 | O11 | 178.4° | 180.0° |
| N10 | C9 | C8 | C7 | 112.5° | 174.5° |
| N10 | C9 | C8 | H3 | 127.3° | 54.5° |
| N10 | C9 | C8 | H4 | 7.6° | 65.5° |
| C9 | N10 | H10 | H11 | 180.0° | 180.0° |
| C9 | C8 | C7 | H3 | 120.1° | 120.0° |
| C9 | C8 | C7 | H4 | 120.1° | 120.0° |
| C9 | C8 | C7 | C12 | 179.7° | 174.4° |
| C9 | C8 | C7 | N6 | 55.2° | 65.6° |
| C9 | C8 | C7 | H2 | 62.8° | 54.5° |
| C9 | C8 | H3 | H4 | 119.7° | 120.0° |
| C8 | C9 | N10 | H10 | 178.4° | 0.0° |
| C8 | C9 | N10 | H11 | 1.6° | 180.0° |
| O11 | C9 | C8 | C7 | 69.0° | 5.5° |
| O11 | C9 | C8 | H3 | 51.1° | 125.5° |
| O11 | C9 | C8 | H4 | 170.9° | 114.5° |
| O11 | C9 | N10 | H10 | 0.0° | 180.0° |
| O11 | C9 | N10 | H11 | 180.0° | 0.0° |
| C8 | C7 | C12 | N6 | 122.7° | 120.0° |
| C8 | C7 | C12 | H2 | 116.9° | 120.0° |
| C8 | C7 | N6 | H2 | 117.7° | 120.1° |
| C8 | C7 | C12 | C13 | 93.7° | 100.0° |
| C8 | C7 | C12 | C19 | 79.6° | 80.0° |
| C8 | C7 | N6 | C4 | 140.3° | 158.7° |
| C7 | C8 | H3 | H4 | 119.7° | 120.0° |
| C8 | C7 | N6 | H9 | 39.6° | 21.2° |
| C12 | C7 | N6 | H2 | 120.1° | 120.0° |
| C7 | C12 | C13 | C14 | 172.7° | 180.0° |
| C7 | C12 | C13 | C19 | 173.3° | 180.0° |
| C7 | C12 | C19 | C18 | 172.8° | 180.0° |
| C12 | C7 | N6 | C4 | 97.4° | 81.3° |
| C12 | C7 | C8 | H3 | 59.6° | 65.6° |
| C12 | C7 | C8 | H4 | 60.2° | 54.4° |
| C7 | C12 | C13 | H5 | 7.2° | 0.3° |
| C12 | C7 | N6 | H9 | 82.6° | 98.7° |
| C7 | C12 | C19 | H13 | 7.2° | 0.0° |
| N6 | C7 | C12 | C13 | 29.0° | 140.0° |
| N6 | C7 | C12 | C19 | 157.7° | 40.0° |
| C7 | N6 | C4 | H9 | 180.0° | 180.0° |
| C7 | N6 | C4 | C3 | 175.4° | 175.1° |
| C7 | N6 | C4 | O5 | 4.7° | 4.9° |
| N6 | C7 | C8 | H3 | 175.4° | 54.4° |
| N6 | C7 | C8 | H4 | 64.9° | 174.4° |
| CL1 | C14 | C13 | C16 | 178.1° | 179.9° |
| CL1 | C14 | C13 | C12 | 178.1° | 180.0° |
| CL1 | C14 | C16 | F17 | 4.8° | 0.0° |
| CL1 | C14 | C16 | C18 | 177.5° | 180.0° |
| CL1 | C14 | C13 | H5 | 2.0° | 0.3° |
| C14 | C13 | C12 | H5 | 180.0° | 179.7° |
| C13 | C14 | C16 | F17 | 177.1° | 180.0° |
| C14 | C13 | C12 | C19 | 0.6° | 0.0° |
| C13 | C14 | C16 | C18 | 0.6° | 0.0° |
| C12 | C13 | C14 | C16 | 0.0° | 0.0° |
| C13 | C12 | C19 | C18 | 0.6° | 0.0° |
| C13 | C12 | C7 | H2 | 149.4° | 20.0° |
| C13 | C12 | C19 | H13 | 179.4° | 180.0° |
| C14 | C16 | F17 | C18 | 177.7° | 180.0° |
| C14 | C16 | C18 | C19 | 0.5° | 0.0° |
| C16 | C14 | C13 | H5 | 180.0° | 179.7° |
| C14 | C16 | C18 | H12 | 179.5° | 179.9° |
| F17 | C16 | C18 | C19 | 177.2° | 180.0° |
| F17 | C16 | C18 | H12 | 2.9° | 0.1° |
| C12 | C19 | C18 | C16 | 0.1° | 0.0° |
| C12 | C19 | C18 | H13 | 180.0° | 180.0° |
| C19 | C12 | C7 | H2 | 37.3° | 160.0° |
| C19 | C12 | C13 | H5 | 179.5° | 179.7° |
| C12 | C19 | C18 | H12 | 180.0° | 179.9° |
| C16 | C18 | C19 | H12 | 180.0° | 180.0° |
| C16 | C18 | C19 | H13 | 180.0° | 180.0° |
| N6 | C4 | C3 | C2 | 4.1° | 0.0° |
| N6 | C4 | C3 | O5 | 179.9° | 180.0° |
| N6 | C4 | C3 | C20 | 179.8° | 180.0° |
| C4 | N6 | C7 | H2 | 22.7° | 38.7° |
| N1 | C2 | C3 | H8 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 176.4° | 180.0° |
| C2 | N1 | C29 | H1 | 180.0° | 179.7° |
| N1 | C2 | C3 | C20 | 0.0° | 0.0° |
| C2 | N1 | C29 | C20 | 0.2° | 0.0° |
| C2 | N1 | C29 | C30 | 177.6° | 179.7° |
| C2 | C3 | C4 | C20 | 175.8° | 180.0° |
| C2 | C3 | C4 | O5 | 176.0° | 180.0° |
| C3 | C2 | N1 | C29 | 0.2° | 0.0° |
| C2 | C3 | C20 | C29 | 0.1° | 0.0° |
| C2 | C3 | C20 | C21 | 176.0° | 180.0° |
| C3 | C2 | N1 | H1 | 179.8° | 179.7° |
| C4 | C3 | C20 | C29 | 176.4° | 180.0° |
| C4 | C3 | C20 | C21 | 0.5° | 0.1° |
| C4 | C3 | C2 | H8 | 3.6° | 0.1° |
| C3 | C4 | N6 | H9 | 4.7° | 5.0° |
| O5 | C4 | C3 | C20 | 0.2° | 0.0° |
| O5 | C4 | N6 | H9 | 175.3° | 175.1° |
| N1 | C29 | C20 | C3 | 0.2° | 0.0° |
| N1 | C29 | C20 | C30 | 177.1° | 179.7° |
| N1 | C29 | C20 | C21 | 176.3° | 179.9° |
| N1 | C29 | C30 | C31 | 11.8° | 134.7° |
| N1 | C29 | C30 | C42 | 171.2° | 45.0° |
| C29 | N1 | C2 | H8 | 179.9° | 180.0° |
| C3 | C20 | C29 | C21 | 176.2° | 180.0° |
| C3 | C20 | C29 | C30 | 177.3° | 179.7° |
| C3 | C20 | C21 | C27 | 78.1° | 90.0° |
| C3 | C20 | C21 | C22 | 103.9° | 90.3° |
| C20 | C3 | C2 | H8 | 180.0° | 180.0° |
| C20 | C29 | C30 | C31 | 171.5° | 45.0° |
| C20 | C29 | C30 | C42 | 5.6° | 135.3° |
| C29 | C20 | C21 | C27 | 106.6° | 90.0° |
| C29 | C20 | C21 | C22 | 71.4° | 89.7° |
| C20 | C29 | N1 | H1 | 179.8° | 179.7° |
| C30 | C29 | C20 | C21 | 6.5° | 0.3° |
| C29 | C30 | C31 | C42 | 177.6° | 179.8° |
| C29 | C30 | C31 | N32 | 177.9° | 180.0° |
| C29 | C30 | C42 | N33 | 177.8° | 179.8° |
| C30 | C29 | N1 | H1 | 2.4° | 0.0° |
| C29 | C30 | C31 | H15 | 2.1° | 0.0° |
| C29 | C30 | C42 | H29 | 2.3° | 0.0° |
| C20 | C21 | C27 | F28 | 2.5° | 0.0° |
| C20 | C21 | C27 | C22 | 178.1° | 179.7° |
| C20 | C21 | C27 | C26 | 178.5° | 180.0° |
| C20 | C21 | C22 | C23 | 178.4° | 180.0° |
| C20 | C21 | C22 | H6 | 1.6° | 0.0° |
| F28 | C27 | C21 | C26 | 176.0° | 180.0° |
| F28 | C27 | C21 | C22 | 175.5° | 179.7° |
| F28 | C27 | C26 | C24 | 175.6° | 180.0° |
| F28 | C27 | C26 | H7 | 4.5° | 0.0° |
| C30 | C31 | N32 | H15 | 180.0° | 180.0° |
| C30 | C31 | N32 | N33 | 0.2° | 0.0° |
| C31 | C30 | C42 | N33 | 0.2° | 0.4° |
| C31 | C30 | C42 | H29 | 179.9° | 179.7° |
| N32 | C31 | C30 | C42 | 0.2° | 0.2° |
| C31 | N32 | N33 | C42 | 0.1° | 0.3° |
| C31 | N32 | N33 | C34 | 178.8° | 179.9° |
| C30 | C42 | N33 | N32 | 0.0° | 0.5° |
| C30 | C42 | N33 | H29 | 180.0° | 179.8° |
| C30 | C42 | N33 | C34 | 178.8° | 179.9° |
| C42 | C30 | C31 | H15 | 179.8° | 179.8° |
| C27 | C21 | C22 | C23 | 0.3° | 0.3° |
| C21 | C27 | C26 | C24 | 0.5° | 0.0° |
| C27 | C21 | C22 | H6 | 179.7° | 179.7° |
| C21 | C27 | C26 | H7 | 179.5° | 180.0° |
| C22 | C21 | C27 | C26 | 0.4° | 0.3° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H14 | 179.8° | 180.0° |
| C27 | C26 | C24 | H7 | 180.0° | 180.0° |
| C27 | C26 | C24 | C23 | 0.4° | 0.3° |
| C27 | C26 | C24 | CL2 | 178.4° | 180.0° |
| N32 | N33 | C42 | C34 | 178.8° | 179.6° |
| N32 | N33 | C34 | C35 | 70.8° | 55.1° |
| N33 | N32 | C31 | H15 | 179.8° | 180.0° |
| N32 | N33 | C34 | H16 | 169.2° | 65.0° |
| N32 | N33 | C34 | H17 | 49.1° | 175.1° |
| N32 | N33 | C42 | H29 | 180.0° | 179.7° |
| C42 | N33 | C34 | C35 | 110.5° | 125.4° |
| C42 | N33 | C34 | H16 | 9.5° | 114.6° |
| C42 | N33 | C34 | H17 | 129.6° | 5.4° |
| C22 | C23 | C24 | C26 | 0.3° | 0.3° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | CL2 | 178.3° | 180.0° |
| C26 | C24 | C23 | CL2 | 178.1° | 179.7° |
| C26 | C24 | C23 | H14 | 179.7° | 179.7° |
| N33 | C34 | C35 | H16 | 120.0° | 120.1° |
| N33 | C34 | C35 | H17 | 120.0° | 120.0° |
| N33 | C34 | C35 | N36 | 175.3° | 180.0° |
| N33 | C34 | H16 | H17 | 120.1° | 120.0° |
| N33 | C34 | C35 | H18 | 64.0° | 60.0° |
| N33 | C34 | C35 | H19 | 54.6° | 60.0° |
| C34 | N33 | C42 | H29 | 1.2° | 0.1° |
| C24 | C23 | C22 | H6 | 179.8° | 180.0° |
| C23 | C24 | C26 | H7 | 179.6° | 179.7° |
| CL2 | C24 | C26 | H7 | 1.5° | 0.0° |
| CL2 | C24 | C23 | H14 | 1.7° | 0.0° |
| C34 | C35 | N36 | H18 | 120.7° | 120.0° |
| C34 | C35 | N36 | H19 | 120.7° | 120.0° |
| C34 | C35 | N36 | C41 | 161.8° | 66.3° |
| C34 | C35 | N36 | C37 | 73.6° | 170.0° |
| C35 | C34 | H16 | H17 | 120.1° | 120.0° |
| C34 | C35 | H18 | H19 | 117.8° | 120.0° |
| C35 | N36 | C41 | C37 | 126.0° | 123.8° |
| C35 | N36 | C41 | C40 | 179.7° | 177.6° |
| C35 | N36 | C37 | C38 | 177.9° | 177.6° |
| N36 | C35 | C34 | H16 | 55.3° | 60.0° |
| N36 | C35 | C34 | H17 | 64.8° | 60.0° |
| N36 | C35 | H18 | H19 | 117.8° | 120.0° |
| C35 | N36 | C37 | H21 | 62.1° | 62.5° |
| C35 | N36 | C37 | H22 | 57.8° | 57.7° |
| C35 | N36 | C41 | H27 | 60.2° | 57.6° |
| C35 | N36 | C41 | H28 | 59.7° | 62.5° |
| N36 | C41 | C40 | H27 | 120.1° | 120.0° |
| N36 | C41 | C40 | H28 | 120.1° | 119.9° |
| C41 | N36 | C37 | C38 | 55.3° | 58.5° |
| N36 | C41 | C40 | O39 | 56.1° | 56.8° |
| C41 | N36 | C35 | H18 | 41.0° | 53.6° |
| C41 | N36 | C35 | H19 | 77.5° | 173.6° |
| C41 | N36 | C37 | H21 | 64.8° | 61.4° |
| C41 | N36 | C37 | H22 | 175.3° | 178.5° |
| N36 | C41 | C40 | H25 | 64.2° | 176.8° |
| N36 | C41 | C40 | H26 | 176.4° | 63.2° |
| N36 | C41 | H27 | H28 | 119.7° | 120.0° |
| C40 | C41 | N36 | C37 | 53.7° | 58.6° |
| C41 | C40 | O39 | H25 | 120.3° | 119.9° |
| C41 | C40 | O39 | H26 | 120.3° | 120.0° |
| C41 | C40 | O39 | C38 | 59.8° | 58.7° |
| C41 | C40 | H25 | H26 | 119.1° | 120.1° |
| C40 | C41 | H27 | H28 | 119.7° | 120.1° |
| N36 | C37 | C38 | H21 | 120.0° | 119.9° |
| N36 | C37 | C38 | H22 | 120.1° | 120.0° |
| N36 | C37 | C38 | O39 | 60.0° | 56.8° |
| C37 | N36 | C35 | H18 | 165.7° | 70.0° |
| C37 | N36 | C35 | H19 | 47.1° | 50.0° |
| N36 | C37 | H21 | H22 | 119.9° | 120.1° |
| N36 | C37 | C38 | H23 | 179.8° | 176.8° |
| N36 | C37 | C38 | H24 | 60.3° | 63.1° |
| C37 | N36 | C41 | H27 | 173.8° | 178.6° |
| C37 | N36 | C41 | H28 | 66.4° | 61.4° |
| C37 | C38 | O39 | C40 | 61.6° | 58.7° |
| C37 | C38 | O39 | H23 | 120.3° | 120.0° |
| C37 | C38 | O39 | H24 | 120.3° | 119.9° |
| C38 | C37 | H21 | H22 | 119.9° | 120.1° |
| C37 | C38 | H23 | H24 | 119.2° | 120.1° |
| C40 | O39 | C38 | H23 | 178.1° | 178.6° |
| C40 | O39 | C38 | H24 | 58.6° | 61.3° |
| O39 | C40 | H25 | H26 | 119.1° | 120.2° |
| O39 | C40 | C41 | H27 | 176.2° | 176.8° |
| O39 | C40 | C41 | H28 | 63.9° | 63.0° |
| O39 | C38 | C37 | H21 | 60.1° | 63.1° |
| O39 | C38 | C37 | H22 | 180.0° | 176.8° |
| O39 | C38 | H23 | H24 | 119.2° | 120.1° |
| C38 | O39 | C40 | H25 | 60.5° | 178.6° |
| C38 | O39 | C40 | H26 | 179.9° | 61.3° |
| H1 | N1 | C2 | H8 | 0.1° | 0.4° |
| H2 | C7 | C8 | H3 | 57.3° | 174.4° |
| H2 | C7 | C8 | H4 | 177.1° | 65.6° |
| H2 | C7 | N6 | H9 | 157.3° | 141.3° |
| H6 | C22 | C23 | H14 | 0.2° | 0.0° |
| H12 | C18 | C19 | H13 | 0.0° | 0.1° |
| H16 | C34 | C35 | H18 | 176.0° | 179.9° |
| H16 | C34 | C35 | H19 | 65.4° | 60.0° |
| H17 | C34 | C35 | H18 | 55.9° | 60.0° |
| H17 | C34 | C35 | H19 | 174.5° | 180.0° |
| H21 | C37 | C38 | H23 | 60.2° | 56.9° |
| H21 | C37 | C38 | H24 | 179.6° | 176.9° |
| H22 | C37 | C38 | H23 | 59.7° | 63.2° |
| H22 | C37 | C38 | H24 | 59.7° | 56.8° |
| H25 | C40 | C41 | H27 | 55.9° | 63.2° |
| H25 | C40 | C41 | H28 | 175.7° | 56.9° |
| H26 | C40 | C41 | H27 | 63.5° | 56.8° |
| H26 | C40 | C41 | H28 | 56.4° | 176.9° |
