A1JC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C34 | sing | 1.43Å | 1.44Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C36 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | N29 | sing | 1.47Å | 1.50Å | |
| O6 | S4 | doub | 1.42Å | 1.42Å | |
| F14 | C8 | sing | 1.35Å | 1.35Å | |
| O5 | S4 | doub | 1.42Å | 1.46Å | |
| S4 | C7 | sing | 1.76Å | 1.62Å | |
| S4 | N1 | sing | 1.66Å | 1.64Å | |
| N29 | C9 | sing | 1.40Å | 1.36Å | |
| C8 | C7 | doub | 1.38Å | 1.47Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.49Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.51Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.53Å | Aromatic |
| C12 | F13 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | doub | 1.39Å | 1.51Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.50Å | Aromatic |
| C10 | S15 | sing | 1.76Å | 1.63Å | |
| O16 | S15 | doub | 1.42Å | 1.44Å | |
| C11 | N19 | sing | 1.40Å | 1.39Å | |
| C18 | S15 | sing | 1.81Å | 1.68Å | |
| S15 | O17 | doub | 1.42Å | 1.48Å | |
| N19 | C21 | sing | 1.47Å | 1.47Å | |
| C26 | C21 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O27 | sing | 1.43Å | 1.43Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| N29 | H4 | sing | 1.01Å | 1.00Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C36 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| O37 | H11 | sing | 0.97Å | 0.95Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| N19 | H18 | sing | 1.01Å | 1.00Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O27 | H25 | sing | 0.97Å | 0.95Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C34 | C35 | 106.4° | 109.5° |
| O37 | C34 | C33 | 108.7° | 109.4° |
| O37 | C34 | H10 | 109.5° | 109.5° |
| C34 | O37 | H11 | 109.5° | 114.0° |
| C35 | C34 | C33 | 115.5° | 109.5° |
| C34 | C35 | C36 | 111.6° | 109.5° |
| C34 | C35 | H8 | 108.9° | 109.5° |
| C34 | C35 | H9 | 109.0° | 109.5° |
| C35 | C34 | H10 | 108.4° | 109.5° |
| C34 | C33 | C32 | 113.1° | 109.5° |
| C33 | C34 | H10 | 108.2° | 109.5° |
| C34 | C33 | H12 | 108.6° | 109.4° |
| C34 | C33 | H13 | 108.5° | 109.5° |
| C35 | C36 | C31 | 113.9° | 109.5° |
| C35 | C36 | H6 | 108.3° | 109.5° |
| C35 | C36 | H7 | 108.4° | 109.5° |
| C36 | C35 | H8 | 108.9° | 109.5° |
| C36 | C35 | H9 | 108.9° | 109.4° |
| C33 | C32 | C31 | 113.8° | 109.5° |
| C32 | C33 | H12 | 108.6° | 109.4° |
| C32 | C33 | H13 | 108.6° | 109.5° |
| C33 | C32 | H14 | 108.4° | 109.4° |
| C33 | C32 | H15 | 108.4° | 109.4° |
| C32 | C31 | C36 | 112.0° | 109.5° |
| C32 | C31 | N29 | 120.7° | 109.4° |
| C32 | C31 | H5 | 106.6° | 109.4° |
| C31 | C32 | H14 | 108.3° | 109.4° |
| C31 | C32 | H15 | 108.4° | 109.5° |
| C36 | C31 | N29 | 102.8° | 109.5° |
| C36 | C31 | H5 | 106.7° | 109.5° |
| C31 | C36 | H6 | 108.4° | 109.4° |
| C31 | C36 | H7 | 108.4° | 109.5° |
| C31 | N29 | C9 | 117.3° | 111.0° |
| C31 | N29 | H4 | 107.5° | 111.0° |
| N29 | C31 | H5 | 107.1° | 109.5° |
| O6 | S4 | O5 | 116.7° | 123.2° |
| O6 | S4 | C7 | 111.1° | 106.4° |
| O6 | S4 | N1 | 107.0° | 106.4° |
| F14 | C8 | C7 | 118.2° | 120.0° |
| F14 | C8 | C9 | 121.4° | 120.0° |
| O5 | S4 | C7 | 108.0° | 106.4° |
| O5 | S4 | N1 | 104.5° | 106.4° |
| C7 | S4 | N1 | 109.3° | 107.2° |
| S4 | C7 | C8 | 119.2° | 120.0° |
| S4 | C7 | C12 | 121.6° | 120.0° |
| S4 | N1 | H16 | 109.5° | 120.0° |
| S4 | N1 | H17 | 109.5° | 120.0° |
| N29 | C9 | C8 | 113.9° | 120.1° |
| N29 | C9 | C10 | 124.4° | 120.0° |
| C9 | N29 | H4 | 107.5° | 111.0° |
| C7 | C8 | C9 | 120.3° | 120.1° |
| C8 | C7 | C12 | 119.2° | 120.1° |
| C8 | C9 | C10 | 120.5° | 119.9° |
| C7 | C12 | F13 | 116.7° | 120.0° |
| C7 | C12 | C11 | 122.6° | 120.0° |
| C9 | C10 | C11 | 119.9° | 119.9° |
| C9 | C10 | S15 | 124.4° | 120.0° |
| F13 | C12 | C11 | 120.7° | 120.0° |
| C12 | C11 | C10 | 117.4° | 120.0° |
| C12 | C11 | N19 | 124.9° | 120.0° |
| C11 | C10 | S15 | 115.6° | 120.0° |
| C10 | C11 | N19 | 117.5° | 120.0° |
| C10 | S15 | O16 | 102.3° | 104.3° |
| C10 | S15 | C18 | 115.6° | 104.5° |
| C10 | S15 | O17 | 108.1° | 104.3° |
| O16 | S15 | C18 | 108.0° | 110.5° |
| O16 | S15 | O17 | 113.6° | 121.0° |
| C11 | N19 | C21 | 125.2° | 111.0° |
| C11 | N19 | H18 | 105.4° | 111.0° |
| C18 | S15 | O17 | 109.3° | 110.5° |
| S15 | C18 | H1 | 109.5° | 109.5° |
| S15 | C18 | H2 | 109.4° | 109.5° |
| S15 | C18 | H3 | 109.4° | 109.5° |
| N19 | C21 | C26 | 112.1° | 109.4° |
| N19 | C21 | C22 | 109.3° | 109.5° |
| C21 | N19 | H18 | 105.4° | 111.0° |
| N19 | C21 | H19 | 108.8° | 109.5° |
| C21 | C26 | C25 | 113.6° | 109.5° |
| C26 | C21 | C22 | 110.7° | 109.5° |
| C26 | C21 | H19 | 107.8° | 109.4° |
| C21 | C26 | H20 | 108.4° | 109.5° |
| C21 | C26 | H21 | 108.4° | 109.5° |
| C26 | C25 | C24 | 111.9° | 109.4° |
| C25 | C26 | H20 | 108.4° | 109.5° |
| C25 | C26 | H21 | 108.4° | 109.5° |
| C26 | C25 | H22 | 108.9° | 109.5° |
| C26 | C25 | H23 | 108.9° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.5° |
| C22 | C21 | H19 | 108.1° | 109.5° |
| C21 | C22 | H28 | 109.5° | 109.5° |
| C21 | C22 | H29 | 109.5° | 109.5° |
| C25 | C24 | C23 | 108.6° | 109.5° |
| C25 | C24 | O27 | 112.8° | 109.4° |
| C24 | C25 | H22 | 108.8° | 109.5° |
| C24 | C25 | H23 | 108.9° | 109.4° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C22 | C23 | C24 | 110.0° | 109.5° |
| C22 | C23 | H26 | 109.3° | 109.5° |
| C22 | C23 | H27 | 109.4° | 109.5° |
| C23 | C22 | H28 | 109.5° | 109.4° |
| C23 | C22 | H29 | 109.5° | 109.4° |
| C23 | C24 | O27 | 108.0° | 109.5° |
| C23 | C24 | H24 | 108.8° | 109.5° |
| C24 | C23 | H26 | 109.4° | 109.5° |
| C24 | C23 | H27 | 109.3° | 109.4° |
| O27 | C24 | H24 | 110.0° | 109.5° |
| C24 | O27 | H25 | 109.5° | 114.0° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H1 | C18 | H3 | 109.5° | 109.5° |
| H2 | C18 | H3 | 109.5° | 109.4° |
| H6 | C36 | H7 | 109.5° | 109.5° |
| H8 | C35 | H9 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.4° | 109.5° |
| H14 | C32 | H15 | 109.5° | 109.6° |
| H16 | N1 | H17 | 109.5° | 120.0° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.4° | 109.5° |
| H28 | C22 | H29 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C34 | C35 | C33 | 120.7° | 119.9° |
| O37 | C34 | C35 | H10 | 117.7° | 120.0° |
| O37 | C34 | C33 | H10 | 118.9° | 120.0° |
| O37 | C34 | C35 | C36 | 118.7° | 59.9° |
| O37 | C34 | C33 | C32 | 166.0° | 60.0° |
| O37 | C34 | C35 | H8 | 1.6° | 179.9° |
| O37 | C34 | C35 | H9 | 121.0° | 60.0° |
| O37 | C34 | C33 | H12 | 73.4° | 180.0° |
| O37 | C34 | C33 | H13 | 45.5° | 60.0° |
| C35 | C34 | C33 | H10 | 121.7° | 120.0° |
| C34 | C35 | C36 | H8 | 120.3° | 120.0° |
| C34 | C35 | C36 | H9 | 120.3° | 119.9° |
| C35 | C34 | C33 | C32 | 46.6° | 60.0° |
| C34 | C35 | C36 | C31 | 51.7° | 60.0° |
| C34 | C35 | C36 | H6 | 69.0° | 180.0° |
| C34 | C35 | C36 | H7 | 172.4° | 60.0° |
| C34 | C35 | H8 | H9 | 119.0° | 120.0° |
| C35 | C34 | O37 | H11 | 180.0° | 180.0° |
| C35 | C34 | C33 | H12 | 167.2° | 60.0° |
| C35 | C34 | C33 | H13 | 73.9° | 180.0° |
| C33 | C34 | C35 | C36 | 2.0° | 60.0° |
| C34 | C33 | C32 | H12 | 120.6° | 120.0° |
| C34 | C33 | C32 | H13 | 120.5° | 120.1° |
| C34 | C33 | C32 | C31 | 45.8° | 59.9° |
| C33 | C34 | C35 | H8 | 122.3° | 60.0° |
| C33 | C34 | C35 | H9 | 118.3° | 179.9° |
| C33 | C34 | O37 | H11 | 55.0° | 60.0° |
| C34 | C33 | H12 | H13 | 118.3° | 120.0° |
| C34 | C33 | C32 | H14 | 74.9° | 60.0° |
| C34 | C33 | C32 | H15 | 166.4° | 179.9° |
| C35 | C36 | C31 | C32 | 52.0° | 60.0° |
| C35 | C36 | C31 | H6 | 120.6° | 120.0° |
| C35 | C36 | C31 | H7 | 120.7° | 120.0° |
| C35 | C36 | C31 | N29 | 176.9° | 180.0° |
| C35 | C36 | C31 | H5 | 64.3° | 60.0° |
| C35 | C36 | H6 | H7 | 118.0° | 120.0° |
| C36 | C35 | H8 | H9 | 119.0° | 120.0° |
| C36 | C35 | C34 | H10 | 123.6° | 180.0° |
| C33 | C32 | C31 | H14 | 120.7° | 119.9° |
| C33 | C32 | C31 | H15 | 120.7° | 120.0° |
| C33 | C32 | C31 | C36 | 1.9° | 60.0° |
| C33 | C32 | C31 | N29 | 123.2° | 180.0° |
| C33 | C32 | C31 | H5 | 114.5° | 60.1° |
| C32 | C33 | C34 | H10 | 75.1° | 180.0° |
| C32 | C33 | H12 | H13 | 118.4° | 120.0° |
| C33 | C32 | H14 | H15 | 118.0° | 120.0° |
| C32 | C31 | C36 | N29 | 131.1° | 120.0° |
| C32 | C31 | C36 | H5 | 116.3° | 120.0° |
| C32 | C31 | N29 | H5 | 122.1° | 119.9° |
| C32 | C31 | N29 | C9 | 139.1° | 80.2° |
| C32 | C31 | N29 | H4 | 18.0° | 43.8° |
| C32 | C31 | C36 | H6 | 68.7° | 180.0° |
| C32 | C31 | C36 | H7 | 172.7° | 60.0° |
| C31 | C32 | C33 | H12 | 166.3° | 60.0° |
| C31 | C32 | C33 | H13 | 74.8° | 180.0° |
| C31 | C32 | H14 | H15 | 118.0° | 120.1° |
| C36 | C31 | N29 | H5 | 112.3° | 120.1° |
| C36 | C31 | N29 | C9 | 95.3° | 159.8° |
| C36 | C31 | N29 | H4 | 143.6° | 76.3° |
| C31 | C36 | H6 | H7 | 118.0° | 120.0° |
| C31 | C36 | C35 | H8 | 172.0° | 60.0° |
| C31 | C36 | C35 | H9 | 68.6° | 180.0° |
| C36 | C31 | C32 | H14 | 122.6° | 59.9° |
| C36 | C31 | C32 | H15 | 118.7° | 180.0° |
| C31 | N29 | C9 | H4 | 121.1° | 123.9° |
| C31 | N29 | C9 | C8 | 38.9° | 86.2° |
| C31 | N29 | C9 | C10 | 128.6° | 93.8° |
| N29 | C31 | C36 | H6 | 62.4° | 60.0° |
| N29 | C31 | C36 | H7 | 56.2° | 60.0° |
| N29 | C31 | C32 | H14 | 116.1° | 60.1° |
| N29 | C31 | C32 | H15 | 2.5° | 60.0° |
| O6 | S4 | O5 | C7 | 125.8° | 122.9° |
| O6 | S4 | O5 | N1 | 117.9° | 123.0° |
| O6 | S4 | C7 | N1 | 117.8° | 113.5° |
| O6 | S4 | C7 | C8 | 84.1° | 156.7° |
| O6 | S4 | C7 | C12 | 100.0° | 23.5° |
| O6 | S4 | N1 | H16 | 180.0° | 96.5° |
| O6 | S4 | N1 | H17 | 60.0° | 83.6° |
| F14 | C8 | C7 | S4 | 3.2° | 0.3° |
| F14 | C8 | C9 | N29 | 10.0° | 0.0° |
| F14 | C8 | C7 | C9 | 178.9° | 179.9° |
| F14 | C8 | C7 | C12 | 179.2° | 179.9° |
| F14 | C8 | C9 | C10 | 178.0° | 179.9° |
| O5 | S4 | C7 | N1 | 113.1° | 113.6° |
| O5 | S4 | C7 | C8 | 45.0° | 23.8° |
| O5 | S4 | C7 | C12 | 130.9° | 156.4° |
| O5 | S4 | N1 | H16 | 55.7° | 36.4° |
| O5 | S4 | N1 | H17 | 175.7° | 143.5° |
| S4 | C7 | C8 | C12 | 176.0° | 179.7° |
| S4 | C7 | C8 | C9 | 175.7° | 179.8° |
| S4 | C7 | C12 | F13 | 2.6° | 0.2° |
| S4 | C7 | C12 | C11 | 177.0° | 179.7° |
| C7 | S4 | N1 | H16 | 59.7° | 150.0° |
| C7 | S4 | N1 | H17 | 60.3° | 29.9° |
| N1 | S4 | C7 | C8 | 158.1° | 89.7° |
| N1 | S4 | C7 | C12 | 17.8° | 90.0° |
| S4 | N1 | H16 | H17 | 120.0° | 179.9° |
| N29 | C9 | C8 | C7 | 171.1° | 179.9° |
| N29 | C9 | C8 | C10 | 168.0° | 180.0° |
| N29 | C9 | C10 | C11 | 171.4° | 180.0° |
| N29 | C9 | C10 | S15 | 13.2° | 0.1° |
| C9 | N29 | C31 | H5 | 17.0° | 39.7° |
| C7 | C8 | C9 | C10 | 3.2° | 0.1° |
| C8 | C7 | C12 | F13 | 178.5° | 180.0° |
| C8 | C7 | C12 | C11 | 1.1° | 0.0° |
| C9 | C8 | C7 | C12 | 0.3° | 0.0° |
| C8 | C9 | C10 | C11 | 4.8° | 0.0° |
| C8 | C9 | C10 | S15 | 179.9° | 179.9° |
| C8 | C9 | N29 | H4 | 82.3° | 37.7° |
| C7 | C12 | F13 | C11 | 179.6° | 179.9° |
| C7 | C12 | C11 | C10 | 0.5° | 0.1° |
| C7 | C12 | C11 | N19 | 176.1° | 179.9° |
| C9 | C10 | C11 | C12 | 3.4° | 0.1° |
| C9 | C10 | C11 | S15 | 175.7° | 179.9° |
| C9 | C10 | S15 | O16 | 3.0° | 26.0° |
| C9 | C10 | C11 | N19 | 179.3° | 179.9° |
| C9 | C10 | S15 | C18 | 120.0° | 90.1° |
| C9 | C10 | S15 | O17 | 117.2° | 153.8° |
| C10 | C9 | N29 | H4 | 110.3° | 142.3° |
| F13 | C12 | C11 | C10 | 179.9° | 180.0° |
| F13 | C12 | C11 | N19 | 4.3° | 0.0° |
| C12 | C11 | C10 | N19 | 176.0° | 180.0° |
| C12 | C11 | C10 | S15 | 179.1° | 180.0° |
| C12 | C11 | N19 | C21 | 19.2° | 60.0° |
| C12 | C11 | N19 | H18 | 102.9° | 63.9° |
| C11 | C10 | S15 | O16 | 178.5° | 153.9° |
| C11 | C10 | S15 | C18 | 64.5° | 90.0° |
| C11 | C10 | S15 | O17 | 58.3° | 26.1° |
| C10 | C11 | N19 | C21 | 156.4° | 120.0° |
| C10 | C11 | N19 | H18 | 81.5° | 116.0° |
| C10 | S15 | O16 | C18 | 122.4° | 111.8° |
| C10 | S15 | O16 | O17 | 116.2° | 116.8° |
| S15 | C10 | C11 | N19 | 5.0° | 0.0° |
| C10 | S15 | C18 | O17 | 122.1° | 111.7° |
| C10 | S15 | C18 | H1 | 180.0° | 59.9° |
| C10 | S15 | C18 | H2 | 60.0° | 60.0° |
| C10 | S15 | C18 | H3 | 60.0° | 180.0° |
| O16 | S15 | C18 | O17 | 124.1° | 136.7° |
| O16 | S15 | C18 | H1 | 66.2° | 171.6° |
| O16 | S15 | C18 | H2 | 53.8° | 51.6° |
| O16 | S15 | C18 | H3 | 173.8° | 68.3° |
| C11 | N19 | C21 | H18 | 122.1° | 123.9° |
| C11 | N19 | C21 | C26 | 127.6° | 85.0° |
| C11 | N19 | C21 | C22 | 109.3° | 155.0° |
| C11 | N19 | C21 | H19 | 8.5° | 35.0° |
| S15 | C18 | H1 | H2 | 120.0° | 120.0° |
| S15 | C18 | H1 | H3 | 120.0° | 120.1° |
| S15 | C18 | H2 | H3 | 120.0° | 120.0° |
| O17 | S15 | C18 | H1 | 57.9° | 51.7° |
| O17 | S15 | C18 | H2 | 177.9° | 171.7° |
| O17 | S15 | C18 | H3 | 62.1° | 68.4° |
| N19 | C21 | C26 | C22 | 122.3° | 120.0° |
| N19 | C21 | C26 | H19 | 119.7° | 120.0° |
| N19 | C21 | C26 | C25 | 171.7° | 180.0° |
| N19 | C21 | C22 | H19 | 118.2° | 120.0° |
| N19 | C21 | C22 | C23 | 179.3° | 180.0° |
| N19 | C21 | C26 | H20 | 51.1° | 60.0° |
| N19 | C21 | C26 | H21 | 67.7° | 60.0° |
| N19 | C21 | C22 | H28 | 59.3° | 60.1° |
| N19 | C21 | C22 | H29 | 60.6° | 60.0° |
| C21 | C26 | C25 | H20 | 120.6° | 120.0° |
| C21 | C26 | C25 | H21 | 120.6° | 120.0° |
| C26 | C21 | C22 | H19 | 117.8° | 120.0° |
| C21 | C26 | C25 | C24 | 48.5° | 60.0° |
| C26 | C21 | C22 | C23 | 56.8° | 60.0° |
| C26 | C21 | N19 | H18 | 110.3° | 151.1° |
| C21 | C26 | H20 | H21 | 118.1° | 120.0° |
| C21 | C26 | C25 | H22 | 168.8° | 180.0° |
| C21 | C26 | C25 | H23 | 71.9° | 59.9° |
| C26 | C21 | C22 | H28 | 176.8° | 180.0° |
| C26 | C21 | C22 | H29 | 63.3° | 59.9° |
| C25 | C26 | C21 | C22 | 49.4° | 60.0° |
| C26 | C25 | C24 | H22 | 120.4° | 120.0° |
| C26 | C25 | C24 | H23 | 120.3° | 120.0° |
| C26 | C25 | C24 | C23 | 54.2° | 60.0° |
| C26 | C25 | C24 | O27 | 173.9° | 180.0° |
| C25 | C26 | C21 | H19 | 68.7° | 60.0° |
| C25 | C26 | H20 | H21 | 118.1° | 120.0° |
| C26 | C25 | H22 | H23 | 118.9° | 120.1° |
| C26 | C25 | C24 | H24 | 63.9° | 60.0° |
| C21 | C22 | C23 | H28 | 120.0° | 120.0° |
| C21 | C22 | C23 | H29 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 65.3° | 60.0° |
| C22 | C21 | N19 | H18 | 12.8° | 31.1° |
| C22 | C21 | C26 | H20 | 71.2° | 60.0° |
| C22 | C21 | C26 | H21 | 170.0° | 179.9° |
| C21 | C22 | C23 | H26 | 54.8° | 180.0° |
| C21 | C22 | C23 | H27 | 174.7° | 60.0° |
| C21 | C22 | H28 | H29 | 120.0° | 120.1° |
| C25 | C24 | C23 | C22 | 63.1° | 60.0° |
| C25 | C24 | C23 | O27 | 122.7° | 120.0° |
| C25 | C24 | C23 | H24 | 117.9° | 120.0° |
| C25 | C24 | O27 | H24 | 121.4° | 120.0° |
| C24 | C25 | C26 | H20 | 72.1° | 60.0° |
| C24 | C25 | C26 | H21 | 169.1° | 180.0° |
| C24 | C25 | H22 | H23 | 118.9° | 120.0° |
| C25 | C24 | O27 | H25 | 180.0° | 179.9° |
| C25 | C24 | C23 | H26 | 57.0° | 180.0° |
| C25 | C24 | C23 | H27 | 176.8° | 60.0° |
| C22 | C23 | C24 | H26 | 120.1° | 120.0° |
| C22 | C23 | C24 | H27 | 120.1° | 120.0° |
| C22 | C23 | C24 | O27 | 174.2° | 180.0° |
| C23 | C22 | C21 | H19 | 61.1° | 60.0° |
| C22 | C23 | C24 | H24 | 54.9° | 60.0° |
| C22 | C23 | H26 | H27 | 119.8° | 120.0° |
| C23 | C22 | H28 | H29 | 120.0° | 120.0° |
| C23 | C24 | O27 | H24 | 118.6° | 120.0° |
| C23 | C24 | C25 | H22 | 174.6° | 180.0° |
| C23 | C24 | C25 | H23 | 66.1° | 60.0° |
| C23 | C24 | O27 | H25 | 59.9° | 59.9° |
| C24 | C23 | H26 | H27 | 119.8° | 120.0° |
| C24 | C23 | C22 | H28 | 174.7° | 180.0° |
| C24 | C23 | C22 | H29 | 54.7° | 60.0° |
| O27 | C24 | C25 | H22 | 65.7° | 60.0° |
| O27 | C24 | C25 | H23 | 53.6° | 60.0° |
| O27 | C24 | C23 | H26 | 65.7° | 60.0° |
| O27 | C24 | C23 | H27 | 54.1° | 60.0° |
| H1 | C18 | H2 | H3 | 120.0° | 120.0° |
| H4 | N29 | C31 | H5 | 104.1° | 163.6° |
| H5 | C31 | C36 | H6 | 175.0° | 60.0° |
| H5 | C31 | C36 | H7 | 56.3° | 179.9° |
| H5 | C31 | C32 | H14 | 6.2° | 180.0° |
| H5 | C31 | C32 | H15 | 124.9° | 59.9° |
| H6 | C36 | C35 | H8 | 51.4° | 60.0° |
| H6 | C36 | C35 | H9 | 170.7° | 60.1° |
| H7 | C36 | C35 | H8 | 67.3° | 180.0° |
| H7 | C36 | C35 | H9 | 52.0° | 60.0° |
| H8 | C35 | C34 | H10 | 116.1° | 60.0° |
| H9 | C35 | C34 | H10 | 3.2° | 60.0° |
| H10 | C34 | O37 | H11 | 63.0° | 59.9° |
| H10 | C34 | C33 | H12 | 45.5° | 60.1° |
| H10 | C34 | C33 | H13 | 164.4° | 60.0° |
| H12 | C33 | C32 | H14 | 45.7° | 180.0° |
| H12 | C33 | C32 | H15 | 73.0° | 60.0° |
| H13 | C33 | C32 | H14 | 164.6° | 60.1° |
| H13 | C33 | C32 | H15 | 45.9° | 60.0° |
| H18 | N19 | C21 | H19 | 130.6° | 89.0° |
| H19 | C21 | C26 | H20 | 170.7° | 180.0° |
| H19 | C21 | C26 | H21 | 51.9° | 60.0° |
| H19 | C21 | C22 | H28 | 58.9° | 60.0° |
| H19 | C21 | C22 | H29 | 178.9° | 179.9° |
| H20 | C26 | C25 | H22 | 48.3° | 60.0° |
| H20 | C26 | C25 | H23 | 167.6° | 180.0° |
| H21 | C26 | C25 | H22 | 70.6° | 60.0° |
| H21 | C26 | C25 | H23 | 48.7° | 60.0° |
| H22 | C25 | C24 | H24 | 56.5° | 60.0° |
| H23 | C25 | C24 | H24 | 175.8° | 180.0° |
| H24 | C24 | O27 | H25 | 58.6° | 60.1° |
| H24 | C24 | C23 | H26 | 174.9° | 60.0° |
| H24 | C24 | C23 | H27 | 65.2° | 180.0° |
| H26 | C23 | C22 | H28 | 65.2° | 60.0° |
| H26 | C23 | C22 | H29 | 174.9° | 60.0° |
| H27 | C23 | C22 | H28 | 54.6° | 60.0° |
| H27 | C23 | C22 | H29 | 65.3° | 179.9° |
