A1H92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | S8 | doub | 1.42Å | 1.44Å | |
| C34 | C31 | sing | 1.53Å | 1.53Å | |
| C34 | C37 | sing | 1.53Å | 1.53Å | |
| C40 | C37 | sing | 1.53Å | 1.55Å | |
| C40 | C43 | sing | 1.53Å | 1.56Å | |
| C31 | C28 | sing | 1.53Å | 1.55Å | |
| O12 | S8 | doub | 1.42Å | 1.49Å | |
| F7 | C3 | sing | 1.35Å | 1.35Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| S8 | N14 | sing | 1.66Å | 1.55Å | |
| S8 | C4 | sing | 1.76Å | 1.79Å | |
| C26 | C43 | sing | 1.53Å | 1.58Å | |
| C26 | N11 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.34Å | Aromatic |
| N11 | C2 | sing | 1.40Å | 1.39Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| O58 | C55 | sing | 1.43Å | 1.44Å | |
| C5 | F9 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | doub | 1.39Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | S10 | sing | 1.76Å | 1.77Å | |
| C6 | O17 | sing | 1.36Å | 1.37Å | |
| C52 | C55 | sing | 1.53Å | 1.52Å | |
| C52 | C51 | sing | 1.53Å | 1.56Å | |
| O50 | S10 | doub | 1.42Å | 1.41Å | |
| S10 | C51 | sing | 1.81Å | 1.75Å | |
| S10 | O49 | doub | 1.42Å | 1.47Å | |
| O17 | C18 | sing | 1.43Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.48Å | |
| C51 | H1 | sing | 1.09Å | 1.10Å | |
| C51 | H2 | sing | 1.09Å | 1.10Å | |
| C52 | H3 | sing | 1.09Å | 1.10Å | |
| C52 | H4 | sing | 1.09Å | 1.10Å | |
| C55 | H5 | sing | 1.09Å | 1.10Å | |
| C55 | H6 | sing | 1.09Å | 1.10Å | |
| O58 | H7 | sing | 0.97Å | 0.95Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| N11 | H15 | sing | 1.01Å | 1.00Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C43 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | S8 | O12 | 120.3° | 123.2° |
| O13 | S8 | N14 | 110.2° | 106.4° |
| O13 | S8 | C4 | 103.2° | 106.4° |
| C31 | C34 | C37 | 121.7° | 109.5° |
| C34 | C31 | C28 | 120.4° | 109.4° |
| C31 | C34 | H23 | 106.3° | 109.4° |
| C34 | C31 | H24 | 106.6° | 109.5° |
| C31 | C34 | H29 | 106.3° | 109.5° |
| C34 | C31 | H30 | 106.7° | 109.5° |
| C34 | C37 | C40 | 119.6° | 109.5° |
| C34 | C37 | H21 | 106.9° | 109.5° |
| C34 | C37 | H22 | 106.9° | 109.5° |
| C37 | C34 | H23 | 106.3° | 109.5° |
| C37 | C34 | H29 | 106.3° | 109.5° |
| C37 | C40 | C43 | 102.0° | 109.4° |
| C37 | C40 | H19 | 111.3° | 109.5° |
| C37 | C40 | H20 | 111.3° | 109.5° |
| C40 | C37 | H21 | 106.9° | 109.5° |
| C40 | C37 | H22 | 106.9° | 109.5° |
| C40 | C43 | C26 | 113.4° | 109.5° |
| C40 | C43 | H17 | 108.5° | 109.5° |
| C40 | C43 | H18 | 108.5° | 109.5° |
| C43 | C40 | H19 | 111.3° | 109.4° |
| C43 | C40 | H20 | 111.3° | 109.5° |
| C31 | C28 | C27 | 111.5° | 109.5° |
| C28 | C31 | H24 | 106.7° | 109.5° |
| C31 | C28 | H25 | 109.0° | 109.5° |
| C31 | C28 | H26 | 108.9° | 109.4° |
| C28 | C31 | H30 | 106.6° | 109.4° |
| O12 | S8 | N14 | 107.8° | 106.4° |
| O12 | S8 | C4 | 103.1° | 106.4° |
| F7 | C3 | C4 | 117.8° | 120.0° |
| F7 | C3 | C2 | 117.0° | 120.0° |
| C26 | C27 | C28 | 120.4° | 109.5° |
| C27 | C26 | C43 | 116.3° | 109.5° |
| C27 | C26 | N11 | 110.9° | 109.5° |
| C27 | C26 | H16 | 107.3° | 109.4° |
| C26 | C27 | H27 | 106.7° | 109.5° |
| C26 | C27 | H28 | 106.7° | 109.4° |
| C27 | C28 | H25 | 108.9° | 109.5° |
| C27 | C28 | H26 | 109.0° | 109.5° |
| C28 | C27 | H27 | 106.7° | 109.5° |
| C28 | C27 | H28 | 106.7° | 109.5° |
| N14 | S8 | C4 | 112.0° | 107.2° |
| S8 | N14 | H13 | 109.5° | 120.0° |
| S8 | N14 | H14 | 109.5° | 120.0° |
| S8 | C4 | C3 | 119.7° | 120.0° |
| S8 | C4 | C5 | 122.7° | 120.0° |
| C43 | C26 | N11 | 106.7° | 109.5° |
| C43 | C26 | H16 | 106.9° | 109.5° |
| C26 | C43 | H17 | 108.5° | 109.5° |
| C26 | C43 | H18 | 108.5° | 109.5° |
| C26 | N11 | C2 | 121.1° | 111.0° |
| C26 | N11 | H15 | 106.5° | 111.0° |
| N11 | C26 | H16 | 108.3° | 109.5° |
| C4 | C3 | C2 | 125.1° | 120.0° |
| C3 | C4 | C5 | 116.6° | 120.0° |
| C3 | C2 | N11 | 123.1° | 120.0° |
| C3 | C2 | C1 | 114.6° | 120.0° |
| C4 | C5 | F9 | 121.5° | 119.9° |
| C4 | C5 | C6 | 123.9° | 120.1° |
| N11 | C2 | C1 | 122.2° | 120.0° |
| C2 | N11 | H15 | 106.5° | 111.0° |
| C2 | C1 | C6 | 120.0° | 119.9° |
| C2 | C1 | S10 | 123.8° | 120.1° |
| O58 | C55 | C52 | 100.0° | 109.5° |
| O58 | C55 | H5 | 111.8° | 109.5° |
| O58 | C55 | H6 | 111.8° | 109.5° |
| C55 | O58 | H7 | 109.5° | 114.0° |
| F9 | C5 | C6 | 114.2° | 120.0° |
| C5 | C6 | C1 | 119.7° | 120.0° |
| C5 | C6 | O17 | 121.4° | 120.0° |
| C6 | C1 | S10 | 116.1° | 120.0° |
| C1 | C6 | O17 | 118.9° | 120.0° |
| C1 | S10 | O50 | 110.6° | 104.3° |
| C1 | S10 | C51 | 107.1° | 104.5° |
| C1 | S10 | O49 | 106.1° | 104.3° |
| C6 | O17 | C18 | 116.9° | 117.0° |
| C55 | C52 | C51 | 110.5° | 109.5° |
| C55 | C52 | H3 | 109.2° | 109.5° |
| C55 | C52 | H4 | 109.2° | 109.5° |
| C52 | C55 | H5 | 111.8° | 109.5° |
| C52 | C55 | H6 | 111.8° | 109.5° |
| C52 | C51 | S10 | 110.8° | 109.5° |
| C52 | C51 | H1 | 109.2° | 109.5° |
| C52 | C51 | H2 | 109.1° | 109.4° |
| C51 | C52 | H3 | 109.2° | 109.5° |
| C51 | C52 | H4 | 109.2° | 109.4° |
| O50 | S10 | C51 | 109.8° | 110.5° |
| O50 | S10 | O49 | 115.4° | 121.0° |
| C51 | S10 | O49 | 107.6° | 110.6° |
| S10 | C51 | H1 | 109.1° | 109.4° |
| S10 | C51 | H2 | 109.1° | 109.5° |
| O17 | C18 | C19 | 110.5° | 109.5° |
| O17 | C18 | H8 | 109.2° | 109.5° |
| O17 | C18 | H9 | 109.2° | 109.5° |
| C19 | C18 | H8 | 109.2° | 109.5° |
| C19 | C18 | H9 | 109.2° | 109.4° |
| C18 | C19 | H10 | 109.5° | 109.4° |
| C18 | C19 | H11 | 109.4° | 109.6° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| H1 | C51 | H2 | 109.5° | 109.4° |
| H3 | C52 | H4 | 109.5° | 109.5° |
| H5 | C55 | H6 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.4° |
| H10 | C19 | H12 | 109.4° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | N14 | H14 | 109.5° | 120.0° |
| H17 | C43 | H18 | 109.5° | 109.5° |
| H19 | C40 | H20 | 109.5° | 109.5° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C34 | H29 | 109.5° | 109.4° |
| H24 | C31 | H30 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | S8 | O12 | N14 | 127.4° | 122.9° |
| O13 | S8 | O12 | C4 | 114.0° | 123.0° |
| O13 | S8 | N14 | C4 | 114.2° | 113.5° |
| O13 | S8 | C4 | C3 | 80.9° | 156.4° |
| O13 | S8 | C4 | C5 | 111.2° | 23.5° |
| O13 | S8 | N14 | H13 | 180.0° | 96.5° |
| O13 | S8 | N14 | H14 | 60.0° | 83.5° |
| C31 | C34 | C37 | H23 | 121.7° | 120.0° |
| C31 | C34 | C37 | H29 | 121.7° | 120.0° |
| C31 | C34 | C37 | C40 | 63.7° | 112.9° |
| C34 | C31 | C28 | H24 | 121.5° | 120.0° |
| C34 | C31 | C28 | H30 | 121.5° | 120.0° |
| C34 | C31 | C28 | C27 | 79.6° | 76.0° |
| C31 | C34 | C37 | H21 | 174.8° | 7.0° |
| C31 | C34 | C37 | H22 | 57.7° | 127.1° |
| C31 | C34 | H23 | H29 | 114.5° | 119.9° |
| C34 | C31 | H24 | H30 | 115.1° | 120.0° |
| C34 | C31 | C28 | H25 | 40.7° | 44.1° |
| C34 | C31 | C28 | H26 | 160.0° | 164.0° |
| C34 | C37 | C40 | H21 | 121.4° | 120.0° |
| C34 | C37 | C40 | H22 | 121.4° | 120.0° |
| C34 | C37 | C40 | C43 | 109.3° | 76.0° |
| C37 | C34 | C31 | C28 | 11.0° | 44.0° |
| C34 | C37 | C40 | H19 | 9.5° | 164.1° |
| C34 | C37 | C40 | H20 | 131.9° | 44.1° |
| C34 | C37 | H21 | H22 | 115.4° | 120.0° |
| C37 | C34 | H23 | H29 | 114.5° | 120.0° |
| C37 | C34 | C31 | H24 | 132.6° | 76.0° |
| C37 | C34 | C31 | H30 | 110.5° | 164.0° |
| C37 | C40 | C43 | H19 | 118.8° | 120.0° |
| C37 | C40 | C43 | H20 | 118.8° | 120.0° |
| C37 | C40 | C43 | C26 | 104.3° | 76.0° |
| C37 | C40 | C43 | H17 | 135.1° | 44.0° |
| C37 | C40 | C43 | H18 | 16.3° | 164.0° |
| C37 | C40 | H19 | H20 | 123.5° | 120.0° |
| C40 | C37 | H21 | H22 | 115.4° | 120.0° |
| C40 | C37 | C34 | H23 | 58.0° | 127.1° |
| C40 | C37 | C34 | H29 | 174.6° | 7.1° |
| C40 | C43 | C26 | C27 | 46.2° | 112.9° |
| C40 | C43 | C26 | H17 | 120.6° | 120.0° |
| C40 | C43 | C26 | H18 | 120.6° | 120.0° |
| C40 | C43 | C26 | N11 | 170.6° | 127.1° |
| C40 | C43 | C26 | H16 | 73.6° | 7.1° |
| C40 | C43 | H17 | H18 | 118.2° | 120.0° |
| C43 | C40 | H19 | H20 | 123.5° | 120.0° |
| C43 | C40 | C37 | H21 | 129.2° | 44.0° |
| C43 | C40 | C37 | H22 | 12.1° | 164.0° |
| C31 | C28 | C27 | C26 | 111.0° | 76.0° |
| C31 | C28 | C27 | H25 | 120.3° | 120.0° |
| C31 | C28 | C27 | H26 | 120.3° | 120.0° |
| C28 | C31 | C34 | H23 | 132.7° | 164.1° |
| C28 | C31 | H24 | H30 | 115.0° | 120.0° |
| C31 | C28 | H25 | H26 | 119.0° | 119.9° |
| C31 | C28 | C27 | H27 | 10.5° | 44.1° |
| C31 | C28 | C27 | H28 | 127.5° | 164.1° |
| C28 | C31 | C34 | H29 | 110.7° | 76.0° |
| O12 | S8 | N14 | C4 | 112.8° | 113.6° |
| O12 | S8 | C4 | C3 | 45.0° | 23.5° |
| O12 | S8 | C4 | C5 | 122.9° | 156.4° |
| O12 | S8 | N14 | H13 | 47.0° | 36.4° |
| O12 | S8 | N14 | H14 | 167.0° | 143.6° |
| F7 | C3 | C4 | S8 | 5.2° | 0.1° |
| F7 | C3 | C4 | C2 | 176.4° | 179.6° |
| F7 | C3 | C4 | C5 | 173.9° | 179.9° |
| F7 | C3 | C2 | N11 | 0.6° | 0.3° |
| F7 | C3 | C2 | C1 | 176.2° | 179.8° |
| C26 | C27 | C28 | H27 | 121.5° | 120.0° |
| C26 | C27 | C28 | H28 | 121.5° | 120.0° |
| C27 | C26 | C43 | N11 | 124.4° | 120.0° |
| C27 | C26 | C43 | H16 | 119.8° | 120.0° |
| C27 | C26 | N11 | H16 | 117.6° | 119.9° |
| C27 | C26 | N11 | C2 | 64.0° | 85.0° |
| C27 | C26 | N11 | H15 | 174.4° | 151.1° |
| C27 | C26 | C43 | H17 | 166.8° | 7.1° |
| C27 | C26 | C43 | H18 | 74.4° | 127.1° |
| C26 | C27 | C28 | H25 | 9.3° | 44.0° |
| C26 | C27 | C28 | H26 | 128.7° | 164.0° |
| C26 | C27 | H27 | H28 | 115.1° | 120.0° |
| C28 | C27 | C26 | C43 | 48.3° | 44.0° |
| C28 | C27 | C26 | N11 | 73.9° | 164.0° |
| C28 | C27 | C26 | H16 | 167.9° | 76.0° |
| C27 | C28 | C31 | H24 | 158.8° | 164.0° |
| C27 | C28 | H25 | H26 | 119.1° | 120.1° |
| C28 | C27 | H27 | H28 | 115.1° | 120.0° |
| C27 | C28 | C31 | H30 | 41.9° | 44.1° |
| N14 | S8 | C4 | C3 | 160.7° | 90.1° |
| N14 | S8 | C4 | C5 | 7.3° | 90.0° |
| S8 | N14 | H13 | H14 | 120.0° | 180.0° |
| S8 | C4 | C3 | C5 | 168.6° | 179.9° |
| S8 | C4 | C3 | C2 | 171.2° | 179.7° |
| S8 | C4 | C5 | F9 | 16.3° | 0.1° |
| S8 | C4 | C5 | C6 | 171.8° | 179.9° |
| C4 | S8 | N14 | H13 | 65.8° | 150.0° |
| C4 | S8 | N14 | H14 | 54.2° | 30.0° |
| C43 | C26 | N11 | H16 | 114.8° | 120.0° |
| C43 | C26 | N11 | C2 | 168.4° | 155.0° |
| C43 | C26 | N11 | H15 | 46.8° | 31.1° |
| C26 | C43 | H17 | H18 | 118.2° | 120.0° |
| C26 | C43 | C40 | H19 | 14.5° | 164.0° |
| C26 | C43 | C40 | H20 | 136.9° | 44.0° |
| C43 | C26 | C27 | H27 | 73.3° | 164.0° |
| C43 | C26 | C27 | H28 | 169.8° | 76.0° |
| C26 | N11 | C2 | C3 | 38.1° | 60.1° |
| C26 | N11 | C2 | H15 | 121.6° | 124.0° |
| C26 | N11 | C2 | C1 | 146.5° | 120.5° |
| N11 | C26 | C43 | H17 | 68.8° | 112.9° |
| N11 | C26 | C43 | H18 | 50.0° | 7.1° |
| N11 | C26 | C27 | H27 | 164.5° | 76.0° |
| N11 | C26 | C27 | H28 | 47.6° | 44.0° |
| C4 | C3 | C2 | N11 | 175.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.6° |
| C3 | C4 | C5 | F9 | 175.4° | 180.0° |
| C3 | C4 | C5 | C6 | 3.5° | 0.0° |
| C2 | C3 | C4 | C5 | 2.5° | 0.3° |
| C3 | C2 | N11 | C1 | 175.4° | 179.4° |
| C3 | C2 | C1 | C6 | 1.2° | 0.6° |
| C3 | C2 | C1 | S10 | 178.5° | 179.7° |
| C3 | C2 | N11 | H15 | 83.5° | 63.9° |
| C4 | C5 | F9 | C6 | 172.6° | 180.0° |
| C4 | C5 | C6 | C1 | 2.2° | 0.0° |
| C4 | C5 | C6 | O17 | 174.6° | 179.9° |
| N11 | C2 | C1 | C6 | 174.5° | 180.0° |
| N11 | C2 | C1 | S10 | 2.8° | 0.3° |
| C2 | N11 | C26 | H16 | 53.6° | 35.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.2° |
| C2 | C1 | C6 | S10 | 177.5° | 179.7° |
| C2 | C1 | C6 | O17 | 177.3° | 179.7° |
| C2 | C1 | S10 | O50 | 1.1° | 153.6° |
| C2 | C1 | S10 | C51 | 118.4° | 90.3° |
| C2 | C1 | S10 | O49 | 126.9° | 25.8° |
| C1 | C2 | N11 | H15 | 91.9° | 115.5° |
| O58 | C55 | C52 | H5 | 118.5° | 120.0° |
| O58 | C55 | C52 | H6 | 118.4° | 120.0° |
| O58 | C55 | C52 | C51 | 171.2° | 180.0° |
| O58 | C55 | C52 | H3 | 68.6° | 60.0° |
| O58 | C55 | C52 | H4 | 51.0° | 60.0° |
| O58 | C55 | H5 | H6 | 124.4° | 120.0° |
| F9 | C5 | C6 | C1 | 174.6° | 180.0° |
| F9 | C5 | C6 | O17 | 2.2° | 0.1° |
| C5 | C6 | C1 | O17 | 176.9° | 179.9° |
| C5 | C6 | C1 | S10 | 177.8° | 180.0° |
| C5 | C6 | O17 | C18 | 67.0° | 89.9° |
| C6 | C1 | S10 | O50 | 176.2° | 26.1° |
| C6 | C1 | S10 | C51 | 64.2° | 90.0° |
| C6 | C1 | S10 | O49 | 50.5° | 153.9° |
| C1 | C6 | O17 | C18 | 116.1° | 90.0° |
| S10 | C1 | C6 | O17 | 5.2° | 0.1° |
| C1 | S10 | C51 | C52 | 61.9° | 180.0° |
| C1 | S10 | O50 | C51 | 118.0° | 111.8° |
| C1 | S10 | O50 | O49 | 120.3° | 116.8° |
| C1 | S10 | C51 | O49 | 113.7° | 111.7° |
| C1 | S10 | C51 | H1 | 177.9° | 60.0° |
| C1 | S10 | C51 | H2 | 58.2° | 60.0° |
| C6 | O17 | C18 | C19 | 147.6° | 180.0° |
| C6 | O17 | C18 | H8 | 27.5° | 60.0° |
| C6 | O17 | C18 | H9 | 92.2° | 60.1° |
| C55 | C52 | C51 | H3 | 120.1° | 120.0° |
| C55 | C52 | C51 | H4 | 120.2° | 120.0° |
| C55 | C52 | C51 | S10 | 173.0° | 180.0° |
| C55 | C52 | C51 | H1 | 52.8° | 60.0° |
| C55 | C52 | C51 | H2 | 66.8° | 60.0° |
| C55 | C52 | H3 | H4 | 119.5° | 120.0° |
| C52 | C55 | H5 | H6 | 124.4° | 120.0° |
| C52 | C55 | O58 | H7 | 180.0° | 180.0° |
| C52 | C51 | S10 | O50 | 58.1° | 68.4° |
| C52 | C51 | S10 | H1 | 120.2° | 120.1° |
| C52 | C51 | S10 | H2 | 120.2° | 120.0° |
| C52 | C51 | S10 | O49 | 175.6° | 68.3° |
| C52 | C51 | H1 | H2 | 119.4° | 120.0° |
| C51 | C52 | H3 | H4 | 119.6° | 120.0° |
| C51 | C52 | C55 | H5 | 52.8° | 60.0° |
| C51 | C52 | C55 | H6 | 70.4° | 60.0° |
| O50 | S10 | C51 | O49 | 126.3° | 136.7° |
| O50 | S10 | C51 | H1 | 62.1° | 51.7° |
| O50 | S10 | C51 | H2 | 178.3° | 171.6° |
| S10 | C51 | H1 | H2 | 119.4° | 120.0° |
| S10 | C51 | C52 | H3 | 66.9° | 60.0° |
| S10 | C51 | C52 | H4 | 52.8° | 60.0° |
| O49 | S10 | C51 | H1 | 64.2° | 171.6° |
| O49 | S10 | C51 | H2 | 55.4° | 51.7° |
| O17 | C18 | C19 | H8 | 120.2° | 120.0° |
| O17 | C18 | C19 | H9 | 120.1° | 120.0° |
| O17 | C18 | H8 | H9 | 119.5° | 120.0° |
| O17 | C18 | C19 | H10 | 180.0° | 180.0° |
| O17 | C18 | C19 | H11 | 60.0° | 60.0° |
| O17 | C18 | C19 | H12 | 60.0° | 60.1° |
| C19 | C18 | H8 | H9 | 119.5° | 120.0° |
| C18 | C19 | H10 | H11 | 120.0° | 120.1° |
| C18 | C19 | H10 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H12 | 120.0° | 120.1° |
| H1 | C51 | C52 | H3 | 172.9° | 180.0° |
| H1 | C51 | C52 | H4 | 67.4° | 60.0° |
| H2 | C51 | C52 | H3 | 53.3° | 60.0° |
| H2 | C51 | C52 | H4 | 173.0° | NaN° |
| H3 | C52 | C55 | H5 | 172.9° | NaN° |
| H3 | C52 | C55 | H6 | 49.8° | 60.0° |
| H4 | C52 | C55 | H5 | 67.4° | 60.0° |
| H4 | C52 | C55 | H6 | 169.5° | 180.0° |
| H5 | C55 | O58 | H7 | 61.5° | 60.0° |
| H6 | C55 | O58 | H7 | 61.6° | 60.0° |
| H8 | C18 | C19 | H10 | 59.8° | 60.0° |
| H8 | C18 | C19 | H11 | 179.8° | 180.0° |
| H8 | C18 | C19 | H12 | 60.2° | 59.9° |
| H9 | C18 | C19 | H10 | 59.9° | 60.0° |
| H9 | C18 | C19 | H11 | 60.1° | 60.0° |
| H9 | C18 | C19 | H12 | 179.9° | 180.0° |
| H10 | C19 | H11 | H12 | 120.0° | 119.9° |
| H15 | N11 | C26 | H16 | 68.1° | 89.0° |
| H16 | C26 | C43 | H17 | 46.9° | 127.1° |
| H16 | C26 | C43 | H18 | 165.8° | 112.9° |
| H16 | C26 | C27 | H27 | 46.4° | 44.0° |
| H16 | C26 | C27 | H28 | 70.6° | 164.0° |
| H17 | C43 | C40 | H19 | 106.1° | 76.0° |
| H17 | C43 | C40 | H20 | 16.3° | 164.0° |
| H18 | C43 | C40 | H19 | 135.1° | 44.0° |
| H18 | C43 | C40 | H20 | 102.5° | 76.0° |
| H19 | C40 | C37 | H21 | 112.0° | 76.0° |
| H19 | C40 | C37 | H22 | 130.9° | 44.1° |
| H20 | C40 | C37 | H21 | 10.4° | 164.0° |
| H20 | C40 | C37 | H22 | 106.7° | 75.9° |
| H21 | C37 | C34 | H23 | 63.5° | 112.9° |
| H21 | C37 | C34 | H29 | 53.1° | 127.1° |
| H22 | C37 | C34 | H23 | 179.4° | 7.1° |
| H22 | C37 | C34 | H29 | 64.0° | 112.9° |
| H23 | C34 | C31 | H24 | 105.7° | 44.0° |
| H23 | C34 | C31 | H30 | 11.2° | 76.0° |
| H24 | C31 | C28 | H25 | 80.9° | 75.9° |
| H24 | C31 | C28 | H26 | 38.5° | 44.0° |
| H24 | C31 | C34 | H29 | 10.9° | 164.0° |
| H25 | C28 | C27 | H27 | 130.8° | 164.1° |
| H25 | C28 | C27 | H28 | 112.2° | 75.9° |
| H25 | C28 | C31 | H30 | 162.2° | 164.1° |
| H26 | C28 | C27 | H27 | 109.8° | 75.9° |
| H26 | C28 | C27 | H28 | 7.2° | 44.1° |
| H26 | C28 | C31 | H30 | 78.4° | 76.0° |
| H29 | C34 | C31 | H30 | 127.8° | 44.0° |
