38S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAM | doub | 1.22Å | 1.23Å | |
| NAI | CAM | sing | 1.35Å | 1.38Å | |
| NAI | CAL | sing | 1.35Å | 1.40Å | |
| OAB | CAL | doub | 1.22Å | 1.22Å | |
| CAM | NAP | sing | 1.35Å | 1.34Å | |
| CAL | CAK | sing | 1.42Å | 1.39Å | |
| CAH | CAO | sing | 1.54Å | 1.48Å | |
| CAH | CAG | sing | 1.55Å | 1.48Å | |
| NAP | CAO | sing | 1.46Å | 1.48Å | |
| NAP | CAE | sing | 1.37Å | 1.42Å | |
| CAK | CAE | doub | 1.35Å | 1.40Å | |
| CAK | CAA | sing | 1.51Å | 1.41Å | |
| CAO | OAJ | sing | 1.43Å | 1.43Å | |
| CAG | CAN | sing | 1.55Å | 1.55Å | |
| OAJ | CAN | sing | 1.44Å | 1.43Å | |
| CAN | CAF | sing | 1.53Å | 1.53Å | |
| OAD | CAF | sing | 1.43Å | 1.45Å | |
| NAI | H1 | sing | 0.97Å | 1.00Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| OAD | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAM | NAI | 117.1° | 119.5° |
| OAC | CAM | NAP | 123.3° | 119.5° |
| CAM | NAI | CAL | 121.2° | 120.3° |
| NAI | CAM | NAP | 119.6° | 120.9° |
| CAM | NAI | H1 | 119.4° | 119.9° |
| NAI | CAL | OAB | 115.0° | 120.3° |
| NAI | CAL | CAK | 120.4° | 119.4° |
| CAL | NAI | H1 | 119.4° | 119.9° |
| OAB | CAL | CAK | 124.6° | 120.3° |
| CAM | NAP | CAO | 120.1° | 119.7° |
| CAM | NAP | CAE | 120.5° | 120.6° |
| CAL | CAK | CAE | 117.6° | 119.1° |
| CAL | CAK | CAA | 122.9° | 120.5° |
| CAO | CAH | CAG | 99.7° | 102.2° |
| CAH | CAO | NAP | 107.7° | 109.8° |
| CAH | CAO | OAJ | 106.5° | 107.6° |
| CAH | CAO | H6 | 111.0° | 109.9° |
| CAO | CAH | H7 | 111.8° | 110.9° |
| CAO | CAH | H8 | 111.9° | 110.9° |
| CAH | CAG | CAN | 102.9° | 100.9° |
| CAG | CAH | H7 | 111.9° | 110.8° |
| CAG | CAH | H8 | 111.9° | 110.8° |
| CAH | CAG | H9 | 111.1° | 111.1° |
| CAH | CAG | H10 | 111.1° | 111.1° |
| CAO | NAP | CAE | 119.4° | 119.7° |
| NAP | CAO | OAJ | 108.8° | 109.8° |
| NAP | CAO | H6 | 111.0° | 109.8° |
| NAP | CAE | CAK | 120.7° | 119.7° |
| NAP | CAE | H5 | 119.6° | 120.2° |
| CAE | CAK | CAA | 119.5° | 120.5° |
| CAK | CAE | H5 | 119.6° | 120.1° |
| CAK | CAA | H2 | 109.5° | 109.4° |
| CAK | CAA | H3 | 109.5° | 109.5° |
| CAK | CAA | H4 | 109.5° | 109.4° |
| CAO | OAJ | CAN | 106.1° | 109.9° |
| OAJ | CAO | H6 | 111.7° | 109.8° |
| CAG | CAN | OAJ | 105.7° | 105.1° |
| CAG | CAN | CAF | 113.2° | 110.3° |
| CAN | CAG | H9 | 111.1° | 111.1° |
| CAN | CAG | H10 | 111.1° | 111.2° |
| CAG | CAN | H11 | 108.3° | 110.3° |
| OAJ | CAN | CAF | 111.3° | 110.3° |
| OAJ | CAN | H11 | 109.8° | 110.3° |
| CAN | CAF | OAD | 106.0° | 109.4° |
| CAF | CAN | H11 | 108.5° | 110.4° |
| CAN | CAF | H12 | 110.3° | 109.5° |
| CAN | CAF | H13 | 110.3° | 109.5° |
| OAD | CAF | H12 | 110.3° | 109.5° |
| OAD | CAF | H13 | 110.3° | 109.5° |
| CAF | OAD | H14 | 109.5° | 114.0° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H7 | CAH | H8 | 109.5° | 110.9° |
| H9 | CAG | H10 | 109.5° | 111.0° |
| H12 | CAF | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAM | NAI | NAP | 178.7° | 179.7° |
| OAC | CAM | NAI | CAL | 180.0° | 180.0° |
| OAC | CAM | NAP | CAO | 1.2° | 0.0° |
| OAC | CAM | NAP | CAE | 179.0° | 179.8° |
| OAC | CAM | NAI | H1 | 0.0° | 0.1° |
| CAM | NAI | CAL | H1 | 180.0° | 179.9° |
| CAM | NAI | CAL | OAB | 179.1° | 180.0° |
| CAM | NAI | CAL | CAK | 1.8° | 0.1° |
| NAI | CAM | NAP | CAO | 179.8° | 179.7° |
| NAI | CAM | NAP | CAE | 0.4° | 0.6° |
| NAI | CAL | OAB | CAK | 177.2° | 179.9° |
| CAL | NAI | CAM | NAP | 1.3° | 0.4° |
| NAI | CAL | CAK | CAE | 1.3° | 0.0° |
| NAI | CAL | CAK | CAA | 179.2° | 179.9° |
| OAB | CAL | CAK | CAE | 178.4° | 179.9° |
| OAB | CAL | CAK | CAA | 2.1° | 0.1° |
| OAB | CAL | NAI | H1 | 0.9° | 0.1° |
| CAM | NAP | CAO | CAH | 109.9° | 87.6° |
| CAM | NAP | CAO | CAE | 179.8° | 179.7° |
| CAM | NAP | CAE | CAK | 0.1° | 0.5° |
| CAM | NAP | CAO | OAJ | 135.1° | 154.2° |
| NAP | CAM | NAI | H1 | 178.7° | 179.8° |
| CAM | NAP | CAE | H5 | 179.9° | 179.7° |
| CAM | NAP | CAO | H6 | 11.8° | 33.4° |
| CAL | CAK | CAE | NAP | 0.4° | 0.2° |
| CAL | CAK | CAE | CAA | 179.5° | 180.0° |
| CAK | CAL | NAI | H1 | 178.2° | 180.0° |
| CAL | CAK | CAA | H2 | 180.0° | 0.0° |
| CAL | CAK | CAA | H3 | 60.0° | 120.0° |
| CAL | CAK | CAA | H4 | 60.0° | 120.0° |
| CAL | CAK | CAE | H5 | 179.6° | 179.9° |
| CAO | CAH | CAG | H7 | 118.4° | 118.2° |
| CAO | CAH | CAG | H8 | 118.4° | 118.2° |
| CAH | CAO | NAP | OAJ | 115.0° | 118.2° |
| CAH | CAO | NAP | H6 | 121.7° | 121.0° |
| CAH | CAO | NAP | CAE | 69.9° | 92.1° |
| CAH | CAO | OAJ | H6 | 121.3° | 119.6° |
| CAO | CAH | CAG | CAN | 38.6° | 34.1° |
| CAH | CAO | OAJ | CAN | 30.5° | 1.7° |
| CAO | CAH | H7 | H8 | 124.6° | 123.6° |
| CAO | CAH | CAG | H9 | 80.3° | 152.0° |
| CAO | CAH | CAG | H10 | 157.6° | 83.8° |
| CAG | CAH | CAO | NAP | 160.3° | 98.2° |
| CAG | CAH | CAO | OAJ | 43.8° | 21.3° |
| CAH | CAG | CAN | H9 | 118.9° | 117.9° |
| CAH | CAG | CAN | H10 | 119.0° | 117.9° |
| CAH | CAG | CAN | OAJ | 22.1° | 36.5° |
| CAH | CAG | CAN | CAF | 99.9° | 155.3° |
| CAG | CAH | CAO | H6 | 78.0° | 140.9° |
| CAG | CAH | H7 | H8 | 124.6° | 123.6° |
| CAH | CAG | H9 | H10 | 123.0° | 124.2° |
| CAH | CAG | CAN | H11 | 139.7° | 82.5° |
| CAO | NAP | CAE | CAK | 179.8° | 179.8° |
| NAP | CAO | OAJ | H6 | 122.8° | 120.9° |
| NAP | CAO | OAJ | CAN | 146.3° | 121.3° |
| CAO | NAP | CAE | H5 | 0.3° | 0.0° |
| NAP | CAO | CAH | H7 | 81.3° | 143.7° |
| NAP | CAO | CAH | H8 | 41.9° | 20.0° |
| NAP | CAE | CAK | H5 | 180.0° | 179.8° |
| NAP | CAE | CAK | CAA | 179.9° | 179.7° |
| CAE | NAP | CAO | OAJ | 45.1° | 26.0° |
| CAE | NAP | CAO | H6 | 168.4° | 146.9° |
| CAE | CAK | CAA | H2 | 0.5° | 180.0° |
| CAE | CAK | CAA | H3 | 119.5° | 60.0° |
| CAE | CAK | CAA | H4 | 120.5° | 60.0° |
| CAK | CAA | H2 | H3 | 120.0° | 120.0° |
| CAK | CAA | H2 | H4 | 120.0° | 120.0° |
| CAK | CAA | H3 | H4 | 120.0° | 120.0° |
| CAA | CAK | CAE | H5 | 0.1° | 0.1° |
| CAO | OAJ | CAN | CAG | 4.7° | 24.5° |
| CAO | OAJ | CAN | CAF | 128.0° | 143.3° |
| OAJ | CAO | CAH | H7 | 162.2° | 96.8° |
| OAJ | CAO | CAH | H8 | 74.6° | 139.5° |
| CAO | OAJ | CAN | H11 | 111.9° | 94.5° |
| CAG | CAN | OAJ | CAF | 123.3° | 118.9° |
| CAG | CAN | OAJ | H11 | 116.6° | 119.0° |
| CAG | CAN | CAF | H11 | 120.2° | 122.2° |
| CAG | CAN | CAF | OAD | 49.5° | 177.9° |
| CAN | CAG | CAH | H7 | 157.0° | 84.0° |
| CAN | CAG | CAH | H8 | 79.8° | 152.3° |
| CAN | CAG | H9 | H10 | 123.1° | 124.2° |
| CAG | CAN | CAF | H12 | 169.0° | 57.9° |
| CAG | CAN | CAF | H13 | 69.9° | 62.2° |
| OAJ | CAN | CAF | H11 | 120.9° | 122.2° |
| OAJ | CAN | CAF | OAD | 69.4° | 66.5° |
| CAN | OAJ | CAO | H6 | 90.9° | 117.9° |
| OAJ | CAN | CAG | H9 | 96.8° | 154.4° |
| OAJ | CAN | CAG | H10 | 141.1° | 81.5° |
| OAJ | CAN | CAF | H12 | 50.1° | 173.5° |
| OAJ | CAN | CAF | H13 | 171.2° | 53.5° |
| CAN | CAF | OAD | H12 | 119.5° | 120.0° |
| CAN | CAF | OAD | H13 | 119.5° | 120.0° |
| CAF | CAN | CAG | H9 | 141.1° | 86.7° |
| CAF | CAN | CAG | H10 | 19.0° | 37.4° |
| CAN | CAF | H12 | H13 | 121.6° | 120.0° |
| CAN | CAF | OAD | H14 | 180.0° | 180.0° |
| OAD | CAF | CAN | H11 | 169.7° | 55.7° |
| OAD | CAF | H12 | H13 | 121.6° | 120.0° |
| H2 | CAA | H3 | H4 | 120.0° | 120.1° |
| H6 | CAO | CAH | H7 | 40.4° | 22.8° |
| H6 | CAO | CAH | H8 | 163.6° | 100.9° |
| H7 | CAH | CAG | H9 | 38.0° | 33.8° |
| H7 | CAH | CAG | H10 | 84.1° | 158.0° |
| H8 | CAH | CAG | H9 | 161.3° | 89.8° |
| H8 | CAH | CAG | H10 | 39.2° | 34.4° |
| H9 | CAG | CAN | H11 | 20.8° | 35.5° |
| H10 | CAG | CAN | H11 | 101.3° | 159.6° |
| H11 | CAN | CAF | H12 | 70.8° | 64.3° |
| H11 | CAN | CAF | H13 | 50.3° | 175.7° |
| H12 | CAF | OAD | H14 | 60.6° | 60.0° |
| H13 | CAF | OAD | H14 | 60.5° | 60.0° |
