A1JCF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.47Å | 1.52Å | |
| C6 | C5 | doub | 1.32Å | 1.56Å | |
| C8 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C3 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.50Å | |
| N2 | C13 | sing | 1.38Å | 1.41Å | |
| C13 | N14 | doub | 1.33Å | 1.34Å | Aromatic |
| C13 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| N14 | C15 | sing | 1.32Å | 1.31Å | Aromatic |
| N20 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
| N20 | N19 | doub | 1.29Å | 1.28Å | Aromatic |
| C21 | C17 | doub | 1.41Å | 1.41Å | Aromatic |
| N19 | N18 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | CL43 | sing | 1.74Å | 1.73Å | |
| C15 | N16 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | N16 | sing | 1.33Å | 1.31Å | Aromatic |
| C17 | N18 | sing | 1.37Å | 1.35Å | Aromatic |
| N18 | C22 | sing | 1.47Å | 1.45Å | |
| O39 | C37 | sing | 1.43Å | 1.43Å | |
| C40 | C37 | sing | 1.55Å | 1.54Å | |
| C40 | C22 | sing | 1.55Å | 1.55Å | |
| C40 | O42 | sing | 1.43Å | 1.44Å | |
| C37 | C25 | sing | 1.54Å | 1.54Å | |
| C22 | O24 | sing | 1.44Å | 1.44Å | |
| C27 | C25 | sing | 1.53Å | 1.53Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C25 | O24 | sing | 1.44Å | 1.45Å | |
| O34 | P33 | doub | 1.48Å | 1.47Å | |
| O35 | P33 | sing | 1.61Å | 1.61Å | |
| C32 | P33 | sing | 1.82Å | 1.82Å | |
| C32 | P29 | sing | 1.82Å | 1.81Å | |
| P33 | O36 | sing | 1.61Å | 1.57Å | |
| O28 | P29 | sing | 1.61Å | 1.60Å | |
| O30 | P29 | doub | 1.48Å | 1.49Å | |
| P29 | O31 | sing | 1.61Å | 1.61Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| O42 | H15 | sing | 0.97Å | 0.95Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| O31 | H20 | sing | 0.97Å | 0.95Å | |
| O35 | H21 | sing | 0.97Å | 0.95Å | |
| O36 | H22 | sing | 0.97Å | 0.95Å | |
| O39 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 106.4° | 111.1° |
| C6 | C7 | C8 | 129.6° | 131.9° |
| C6 | C7 | C12 | 110.6° | 108.9° |
| C7 | C6 | H6 | 126.8° | 124.5° |
| C6 | C5 | C3 | 106.1° | 108.2° |
| C6 | C5 | H5 | 126.9° | 125.8° |
| C5 | C6 | H6 | 126.8° | 124.5° |
| C7 | C8 | C9 | 120.4° | 119.9° |
| C8 | C7 | C12 | 119.8° | 119.1° |
| C7 | C8 | H7 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.4° |
| C9 | C8 | H7 | 119.8° | 120.1° |
| C8 | C9 | H16 | 120.0° | 119.8° |
| C7 | C12 | C3 | 111.4° | 106.2° |
| C7 | C12 | C11 | 119.2° | 120.5° |
| C5 | C3 | C12 | 105.3° | 105.6° |
| C5 | C3 | N2 | 110.6° | 110.3° |
| C5 | C3 | H4 | 109.0° | 110.2° |
| C3 | C5 | H5 | 126.9° | 125.9° |
| C9 | C10 | C11 | 119.6° | 120.2° |
| C10 | C9 | H16 | 120.0° | 119.8° |
| C9 | C10 | H17 | 120.2° | 120.0° |
| C3 | C12 | C11 | 129.5° | 133.3° |
| C12 | C3 | N2 | 112.9° | 110.2° |
| C12 | C3 | H4 | 109.2° | 110.2° |
| C12 | C11 | C10 | 121.0° | 119.9° |
| C12 | C11 | H8 | 119.5° | 120.1° |
| C3 | N2 | C1 | 116.4° | 111.0° |
| C3 | N2 | C13 | 124.8° | 111.0° |
| N2 | C3 | H4 | 109.8° | 110.2° |
| C10 | C11 | H8 | 119.5° | 120.0° |
| C11 | C10 | H17 | 120.2° | 119.8° |
| C1 | N2 | C13 | 118.7° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.4° | 109.5° |
| N2 | C13 | N14 | 119.4° | 120.8° |
| N2 | C13 | C21 | 125.4° | 120.7° |
| N14 | C13 | C21 | 115.3° | 118.5° |
| C13 | N14 | C15 | 123.5° | 121.3° |
| C13 | C21 | N20 | 135.2° | 134.2° |
| C13 | C21 | C17 | 118.9° | 117.9° |
| N14 | C15 | CL43 | 119.5° | 118.8° |
| N14 | C15 | N16 | 122.5° | 122.4° |
| C21 | N20 | N19 | 111.4° | 110.1° |
| N20 | C21 | C17 | 105.9° | 107.9° |
| N20 | N19 | N18 | 108.9° | 109.4° |
| C21 | C17 | N16 | 120.2° | 119.2° |
| C21 | C17 | N18 | 107.1° | 106.0° |
| N19 | N18 | C17 | 106.7° | 106.7° |
| N19 | N18 | C22 | 127.3° | 126.7° |
| CL43 | C15 | N16 | 118.0° | 118.8° |
| C15 | N16 | C17 | 119.6° | 120.7° |
| N16 | C17 | N18 | 132.7° | 134.8° |
| C17 | N18 | C22 | 126.0° | 126.7° |
| N18 | C22 | C40 | 110.0° | 110.6° |
| N18 | C22 | O24 | 111.0° | 110.6° |
| N18 | C22 | H18 | 110.2° | 110.6° |
| O39 | C37 | C40 | 111.6° | 110.6° |
| O39 | C37 | C25 | 111.9° | 110.5° |
| O39 | C37 | H13 | 111.8° | 110.4° |
| C37 | O39 | H23 | 109.5° | 114.0° |
| C37 | C40 | C22 | 103.4° | 102.1° |
| C37 | C40 | O42 | 112.8° | 110.9° |
| C40 | C37 | C25 | 100.9° | 104.2° |
| C40 | C37 | H13 | 110.0° | 110.5° |
| C37 | C40 | H14 | 109.8° | 110.9° |
| C22 | C40 | O42 | 109.6° | 110.9° |
| C40 | C22 | O24 | 106.3° | 103.5° |
| C22 | C40 | H14 | 109.7° | 110.9° |
| C40 | C22 | H18 | 108.9° | 110.6° |
| O42 | C40 | H14 | 111.3° | 110.9° |
| C40 | O42 | H15 | 109.5° | 114.0° |
| C37 | C25 | C27 | 111.5° | 109.9° |
| C37 | C25 | O24 | 105.8° | 107.3° |
| C25 | C37 | H13 | 110.1° | 110.5° |
| C37 | C25 | H19 | 110.3° | 109.9° |
| C22 | O24 | C25 | 110.2° | 107.0° |
| O24 | C22 | H18 | 110.4° | 110.7° |
| C25 | C27 | O28 | 107.2° | 109.5° |
| C27 | C25 | O24 | 107.1° | 109.9° |
| C25 | C27 | H9 | 110.0° | 109.5° |
| C25 | C27 | H10 | 110.0° | 109.5° |
| C27 | C25 | H19 | 110.4° | 109.8° |
| C27 | O28 | P29 | 125.7° | 123.0° |
| O28 | C27 | H9 | 110.0° | 109.4° |
| O28 | C27 | H10 | 110.1° | 109.5° |
| O24 | C25 | H19 | 111.6° | 110.0° |
| O34 | P33 | O35 | 104.3° | 109.4° |
| O34 | P33 | C32 | 104.6° | 109.4° |
| O34 | P33 | O36 | 118.7° | 109.5° |
| O35 | P33 | C32 | 116.4° | 109.5° |
| O35 | P33 | O36 | 112.9° | 109.5° |
| P33 | O35 | H21 | 109.5° | 114.0° |
| P33 | C32 | P29 | 109.4° | 109.5° |
| C32 | P33 | O36 | 100.2° | 109.5° |
| P33 | C32 | H11 | 109.5° | 109.5° |
| P33 | C32 | H12 | 109.5° | 109.5° |
| C32 | P29 | O28 | 102.9° | 109.5° |
| C32 | P29 | O30 | 110.4° | 109.5° |
| C32 | P29 | O31 | 117.1° | 109.5° |
| P29 | C32 | H11 | 109.5° | 109.4° |
| P29 | C32 | H12 | 109.5° | 109.5° |
| P33 | O36 | H22 | 109.5° | 113.9° |
| O28 | P29 | O30 | 111.1° | 109.5° |
| O28 | P29 | O31 | 108.2° | 109.5° |
| O30 | P29 | O31 | 107.1° | 109.5° |
| P29 | O31 | H20 | 109.5° | 114.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.4° |
| H11 | C32 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C12 | 178.6° | 179.9° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C7 | C6 | C5 | C3 | 3.4° | 0.0° |
| C6 | C7 | C12 | C3 | 0.9° | 0.1° |
| C6 | C7 | C12 | C11 | 179.3° | 180.0° |
| C7 | C6 | C5 | H5 | 176.7° | 179.9° |
| C6 | C7 | C8 | H7 | 0.5° | 0.0° |
| C5 | C6 | C7 | C8 | 177.2° | 180.0° |
| C5 | C6 | C7 | C12 | 1.6° | 0.0° |
| C6 | C5 | C3 | H5 | 180.0° | 179.9° |
| C6 | C5 | C3 | C12 | 3.8° | 0.1° |
| C6 | C5 | C3 | N2 | 118.4° | 119.0° |
| C6 | C5 | C3 | H4 | 120.8° | 119.1° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.8° | 0.0° |
| C8 | C7 | C12 | C3 | 179.8° | 180.0° |
| C8 | C7 | C12 | C11 | 0.4° | 0.0° |
| C8 | C7 | C6 | H6 | 2.8° | 0.0° |
| C7 | C8 | C9 | H16 | 179.2° | 180.0° |
| C9 | C8 | C7 | C12 | 0.8° | 0.1° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.1° |
| C8 | C9 | C10 | H17 | 179.7° | 180.0° |
| C7 | C12 | C3 | C5 | 3.1° | 0.1° |
| C7 | C12 | C3 | C11 | 179.7° | 179.9° |
| C7 | C12 | C3 | N2 | 117.7° | 119.0° |
| C7 | C12 | C11 | C10 | 0.0° | 0.0° |
| C7 | C12 | C3 | H4 | 119.9° | 119.1° |
| C12 | C7 | C6 | H6 | 178.4° | 179.9° |
| C12 | C7 | C8 | H7 | 179.1° | 180.0° |
| C7 | C12 | C11 | H8 | 180.0° | 180.0° |
| C5 | C3 | C12 | N2 | 120.7° | 119.1° |
| C5 | C3 | C12 | H4 | 116.9° | 119.1° |
| C5 | C3 | C12 | C11 | 177.2° | 180.0° |
| C5 | C3 | N2 | H4 | 120.3° | 121.9° |
| C5 | C3 | N2 | C1 | 80.8° | 173.4° |
| C5 | C3 | N2 | C13 | 102.7° | 62.6° |
| C3 | C5 | C6 | H6 | 176.6° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C9 | C10 | C11 | H17 | 180.0° | 179.9° |
| C10 | C9 | C8 | H7 | 179.2° | 180.0° |
| C9 | C10 | C11 | H8 | 179.9° | 180.0° |
| C12 | C3 | N2 | H4 | 122.1° | 121.9° |
| C3 | C12 | C11 | C10 | 179.7° | 179.9° |
| C12 | C3 | N2 | C1 | 36.9° | 57.3° |
| C12 | C3 | N2 | C13 | 139.7° | 178.7° |
| C12 | C3 | C5 | H5 | 176.2° | 179.9° |
| C3 | C12 | C11 | H8 | 0.3° | 0.1° |
| C11 | C12 | C3 | N2 | 62.0° | 60.9° |
| C12 | C11 | C10 | H8 | 180.0° | 179.9° |
| C11 | C12 | C3 | H4 | 60.4° | 60.9° |
| C12 | C11 | C10 | H17 | 180.0° | 180.0° |
| C3 | N2 | C1 | C13 | 176.8° | 124.0° |
| C3 | N2 | C13 | N14 | 173.1° | 0.1° |
| C3 | N2 | C13 | C21 | 5.8° | 180.0° |
| C3 | N2 | C1 | H1 | 180.0° | 60.0° |
| C3 | N2 | C1 | H2 | 60.0° | 180.0° |
| C3 | N2 | C1 | H3 | 60.0° | 60.0° |
| N2 | C3 | C5 | H5 | 61.5° | 61.0° |
| C11 | C10 | C9 | H16 | 179.7° | 179.9° |
| C1 | N2 | C13 | N14 | 10.5° | 123.9° |
| C1 | N2 | C13 | C21 | 170.7° | 56.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 158.9° | 64.6° |
| N2 | C13 | N14 | C21 | 179.0° | 179.9° |
| N2 | C13 | N14 | C15 | 179.6° | 179.9° |
| N2 | C13 | C21 | N20 | 0.5° | 0.1° |
| N2 | C13 | C21 | C17 | 179.2° | 179.8° |
| C13 | N2 | C1 | H1 | 3.3° | 176.0° |
| C13 | N2 | C1 | H2 | 116.7° | 56.0° |
| C13 | N2 | C1 | H3 | 123.3° | 64.0° |
| C13 | N2 | C3 | H4 | 17.6° | 59.4° |
| N14 | C13 | C21 | N20 | 179.4° | 180.0° |
| N14 | C13 | C21 | C17 | 0.2° | 0.3° |
| C13 | N14 | C15 | CL43 | 179.6° | 180.0° |
| C13 | N14 | C15 | N16 | 0.6° | 0.3° |
| C21 | C13 | N14 | C15 | 0.6° | 0.0° |
| C13 | C21 | N20 | C17 | 179.7° | 179.7° |
| C13 | C21 | N20 | N19 | 179.8° | 179.6° |
| C13 | C21 | C17 | N16 | 0.1° | 0.3° |
| C13 | C21 | C17 | N18 | 179.8° | 179.7° |
| N14 | C15 | CL43 | N16 | 179.1° | 179.7° |
| N14 | C15 | N16 | C17 | 0.2° | 0.3° |
| C21 | N20 | N19 | N18 | 0.3° | 0.0° |
| N20 | C21 | C17 | N16 | 179.9° | 180.0° |
| N20 | C21 | C17 | N18 | 0.4° | 0.0° |
| N19 | N20 | C21 | C17 | 0.1° | 0.0° |
| N20 | N19 | N18 | C17 | 0.6° | 0.0° |
| N20 | N19 | N18 | C22 | 178.5° | 180.0° |
| C21 | C17 | N18 | N19 | 0.6° | 0.0° |
| C21 | C17 | N16 | C15 | 0.1° | 0.0° |
| C21 | C17 | N16 | N18 | 179.6° | 180.0° |
| C21 | C17 | N18 | C22 | 178.5° | 180.0° |
| N19 | N18 | C17 | N16 | 179.8° | 180.0° |
| N19 | N18 | C17 | C22 | 177.9° | 180.0° |
| N19 | N18 | C22 | C40 | 77.9° | 75.0° |
| N19 | N18 | C22 | O24 | 39.4° | 39.1° |
| N19 | N18 | C22 | H18 | 162.0° | 162.1° |
| CL43 | C15 | N16 | C17 | 179.2° | 180.0° |
| C15 | N16 | C17 | N18 | 179.7° | 180.0° |
| N16 | C17 | N18 | C22 | 1.8° | 0.0° |
| C17 | N18 | C22 | C40 | 99.6° | 105.0° |
| C17 | N18 | C22 | O24 | 143.1° | 140.9° |
| C17 | N18 | C22 | H18 | 20.5° | 17.9° |
| N18 | C22 | C40 | C37 | 97.3° | 155.5° |
| N18 | C22 | C40 | O24 | 120.3° | 118.5° |
| N18 | C22 | C40 | H18 | 120.9° | 122.9° |
| N18 | C22 | C40 | O42 | 142.2° | 86.3° |
| N18 | C22 | O24 | H18 | 122.5° | 122.9° |
| N18 | C22 | O24 | C25 | 118.6° | 158.5° |
| N18 | C22 | C40 | H14 | 19.8° | 37.3° |
| O39 | C37 | C40 | C25 | 119.0° | 118.7° |
| O39 | C37 | C40 | H13 | 124.7° | 122.6° |
| O39 | C37 | C40 | C22 | 153.4° | 97.8° |
| O39 | C37 | C40 | O42 | 35.0° | 20.3° |
| O39 | C37 | C25 | H13 | 125.0° | 122.5° |
| O39 | C37 | C25 | C27 | 90.4° | 119.7° |
| O39 | C37 | C25 | O24 | 153.5° | 120.8° |
| O39 | C37 | C40 | H14 | 89.6° | 144.0° |
| O39 | C37 | C25 | H19 | 32.7° | 1.2° |
| C37 | C40 | C22 | O42 | 120.5° | 118.2° |
| C37 | C40 | C22 | H14 | 117.0° | 118.2° |
| C37 | C40 | O42 | H14 | 123.8° | 123.6° |
| C40 | C37 | C25 | H13 | 116.2° | 118.7° |
| C37 | C40 | C22 | O24 | 23.0° | 37.0° |
| C40 | C37 | C25 | C27 | 150.8° | 121.5° |
| C40 | C37 | C25 | O24 | 34.7° | 2.0° |
| C37 | C40 | O42 | H15 | 180.0° | 61.5° |
| C37 | C40 | C22 | H18 | 141.9° | 81.6° |
| C40 | C37 | C25 | H19 | 86.1° | 117.5° |
| C40 | C37 | O39 | H23 | 180.0° | 65.1° |
| C22 | C40 | O42 | H14 | 121.5° | 123.7° |
| C22 | C40 | C37 | C25 | 34.4° | 20.9° |
| C40 | C22 | O24 | H18 | 117.9° | 118.5° |
| C40 | C22 | O24 | C25 | 1.0° | 40.0° |
| C22 | C40 | C37 | H13 | 81.9° | 139.6° |
| C22 | C40 | O42 | H15 | 65.4° | 174.2° |
| O42 | C40 | C37 | C25 | 83.9° | 139.0° |
| O42 | C40 | C22 | O24 | 97.5° | 155.2° |
| O42 | C40 | C37 | H13 | 159.8° | 102.2° |
| O42 | C40 | C22 | H18 | 21.4° | 36.6° |
| C37 | C25 | O24 | C22 | 21.7° | 26.5° |
| C37 | C25 | C27 | O24 | 115.3° | 117.9° |
| C37 | C25 | C27 | H19 | 123.0° | 121.0° |
| C37 | C25 | C27 | O28 | 175.1° | 175.0° |
| C37 | C25 | O24 | H19 | 120.0° | 119.5° |
| C37 | C25 | C27 | H9 | 55.5° | 65.0° |
| C37 | C25 | C27 | H10 | 65.3° | 55.0° |
| C25 | C37 | C40 | H14 | 151.4° | 97.3° |
| C25 | C37 | O39 | H23 | 67.8° | 179.9° |
| C22 | O24 | C25 | C27 | 140.7° | 145.9° |
| O24 | C22 | C40 | H14 | 140.0° | 81.2° |
| C22 | O24 | C25 | H19 | 98.3° | 93.0° |
| C25 | C27 | O28 | H9 | 119.6° | 120.0° |
| C25 | C27 | O28 | H10 | 119.6° | 120.0° |
| C27 | C25 | O24 | H19 | 121.0° | 121.0° |
| C25 | C27 | O28 | P29 | 132.8° | 180.0° |
| C25 | C27 | H9 | H10 | 121.0° | 120.0° |
| C27 | C25 | C37 | H13 | 34.6° | 2.8° |
| O28 | C27 | C25 | O24 | 69.6° | 67.1° |
| C27 | O28 | P29 | C32 | 70.8° | 175.0° |
| C27 | O28 | P29 | O30 | 47.3° | 55.0° |
| C27 | O28 | P29 | O31 | 164.7° | 65.0° |
| O28 | C27 | H9 | H10 | 121.1° | 120.0° |
| O28 | C27 | C25 | H19 | 52.1° | 54.0° |
| O24 | C25 | C27 | H9 | 170.8° | 52.9° |
| O24 | C25 | C27 | H10 | 50.0° | 172.9° |
| O24 | C25 | C37 | H13 | 81.5° | 116.7° |
| C25 | O24 | C22 | H18 | 118.9° | 78.5° |
| O34 | P33 | O35 | C32 | 114.6° | 119.9° |
| O34 | P33 | O35 | O36 | 130.2° | 120.0° |
| O34 | P33 | C32 | O36 | 123.5° | 120.0° |
| O34 | P33 | C32 | P29 | 165.8° | 60.0° |
| O34 | P33 | C32 | H11 | 45.9° | 60.0° |
| O34 | P33 | C32 | H12 | 74.2° | 180.0° |
| O34 | P33 | O35 | H21 | 0.0° | 60.0° |
| O34 | P33 | O36 | H22 | 0.0° | 179.9° |
| O35 | P33 | C32 | O36 | 122.1° | 120.1° |
| O35 | P33 | C32 | P29 | 51.4° | 180.0° |
| O35 | P33 | C32 | H11 | 68.6° | 60.0° |
| O35 | P33 | C32 | H12 | 171.4° | 60.0° |
| O35 | P33 | O36 | H22 | 122.4° | 60.0° |
| P33 | C32 | P29 | H11 | 120.0° | 120.0° |
| P33 | C32 | P29 | H12 | 120.0° | 120.0° |
| P33 | C32 | P29 | O28 | 59.4° | 180.0° |
| P33 | C32 | P29 | O30 | 178.1° | 60.0° |
| P33 | C32 | P29 | O31 | 59.1° | 60.0° |
| P33 | C32 | H11 | H12 | 120.1° | 120.0° |
| C32 | P33 | O35 | H21 | 114.6° | 180.0° |
| C32 | P33 | O36 | H22 | 113.1° | 60.1° |
| P29 | C32 | P33 | O36 | 70.7° | 60.0° |
| C32 | P29 | O28 | O30 | 118.1° | 120.0° |
| C32 | P29 | O28 | O31 | 124.5° | 120.0° |
| C32 | P29 | O30 | O31 | 128.5° | 120.0° |
| P29 | C32 | H11 | H12 | 120.0° | 120.0° |
| C32 | P29 | O31 | H20 | 124.5° | 60.0° |
| O36 | P33 | C32 | H11 | 169.4° | 180.0° |
| O36 | P33 | C32 | H12 | 49.3° | 60.0° |
| O36 | P33 | O35 | H21 | 130.2° | 60.0° |
| O28 | P29 | O30 | O31 | 118.0° | 120.0° |
| P29 | O28 | C27 | H9 | 13.2° | 60.0° |
| P29 | O28 | C27 | H10 | 107.5° | 60.0° |
| O28 | P29 | C32 | H11 | 60.5° | 60.0° |
| O28 | P29 | C32 | H12 | 179.4° | 60.0° |
| O28 | P29 | O31 | H20 | 119.9° | 60.0° |
| O30 | P29 | C32 | H11 | 58.1° | 60.0° |
| O30 | P29 | C32 | H12 | 61.9° | 180.0° |
| O30 | P29 | O31 | H20 | 0.0° | 180.0° |
| O31 | P29 | C32 | H11 | 179.0° | 180.0° |
| O31 | P29 | C32 | H12 | 60.9° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C5 | H5 | 59.2° | 60.8° |
| H5 | C5 | C6 | H6 | 3.3° | 0.0° |
| H7 | C8 | C9 | H16 | 0.8° | 0.0° |
| H8 | C11 | C10 | H17 | 0.1° | 0.0° |
| H9 | C27 | C25 | H19 | 67.5° | 174.0° |
| H10 | C27 | C25 | H19 | 171.8° | 66.0° |
| H13 | C37 | C40 | H14 | 35.1° | 21.4° |
| H13 | C37 | C25 | H19 | 157.6° | 123.8° |
| H13 | C37 | O39 | H23 | 56.2° | 57.5° |
| H14 | C40 | O42 | H15 | 56.1° | 62.1° |
| H14 | C40 | C22 | H18 | 101.1° | 160.2° |
| H16 | C9 | C10 | H17 | 0.3° | 0.0° |
