H57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAC | sing | 1.43Å | 1.43Å | |
| OAP | H1 | sing | 0.97Å | 0.95Å | |
| CAC | CAD | sing | 1.54Å | 1.53Å | |
| CAC | CAB | sing | 1.54Å | 1.54Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAB | NAA | sing | 1.49Å | 1.48Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAO | CAB | sing | 1.53Å | 1.52Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.09Å | 1.10Å | |
| NAA | H7 | sing | 1.01Å | 1.00Å | |
| CAE | NAA | sing | 1.49Å | 1.47Å | |
| CAE | CAF | sing | 1.53Å | 1.54Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAD | CAE | sing | 1.54Å | 1.55Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| OAQ | CAD | sing | 1.43Å | 1.42Å | |
| OAQ | H11 | sing | 0.97Å | 0.95Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAG | NAH | sing | 1.47Å | 1.52Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| NAH | H14 | sing | 1.01Å | 1.00Å | |
| CAN | NAH | sing | 1.47Å | 1.48Å | |
| CAN | CAJ | sing | 1.51Å | 1.51Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.47Å | 1.42Å | |
| CAK | CAL | doub | 1.33Å | 1.41Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| CAL | H18 | sing | 1.08Å | 1.08Å | |
| CAM | CAL | sing | 1.51Å | 1.42Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAI | CAJ | doub | 1.33Å | 1.42Å | |
| CAI | CAM | sing | 1.51Å | 1.41Å | |
| CAI | H20 | sing | 1.08Å | 1.08Å | |
| CBJ | CBI | sing | 1.47Å | 1.41Å | |
| CBJ | H21 | sing | 1.08Å | 1.08Å | |
| CBI | H22 | sing | 1.08Å | 1.08Å | |
| CBM | CBI | doub | 1.33Å | 1.41Å | |
| CBM | H23 | sing | 1.08Å | 1.08Å | |
| CBL | FE | sing | 1.94Å | 2.05Å | |
| CBL | CBM | sing | 1.51Å | 1.41Å | |
| CBL | H24 | sing | 1.09Å | 1.10Å | |
| CBK | CBL | sing | 1.51Å | 1.41Å | |
| CBK | CBJ | doub | 1.33Å | 1.41Å | |
| CBK | H25 | sing | 1.08Å | 1.08Å | |
| FE | CAM | sing | 1.94Å | 2.04Å | |
| CAF | H251 | sing | 1.09Å | 1.10Å | |
| CAG | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | OAP | H1 | 109.5° | 114.0° |
| OAP | CAC | CAD | 118.4° | 110.3° |
| OAP | CAC | CAB | 108.2° | 110.3° |
| OAP | CAC | H2 | 112.4° | 110.3° |
| CAD | CAC | CAB | 94.8° | 105.0° |
| CAD | CAC | H2 | 110.8° | 110.3° |
| CAC | CAD | CAE | 105.2° | 105.1° |
| CAC | CAD | H10 | 106.8° | 110.3° |
| CAC | CAD | OAQ | 114.8° | 110.3° |
| CAB | CAC | H2 | 110.7° | 110.4° |
| CAC | CAB | NAA | 100.3° | 104.6° |
| CAC | CAB | H3 | 108.8° | 110.4° |
| CAC | CAB | CAO | 115.2° | 110.4° |
| NAA | CAB | H3 | 109.6° | 110.4° |
| NAA | CAB | CAO | 113.5° | 110.4° |
| CAB | NAA | H7 | 109.6° | 111.1° |
| CAB | NAA | CAE | 109.2° | 104.2° |
| H3 | CAB | CAO | 109.0° | 110.4° |
| CAB | CAO | H4 | 109.5° | 109.5° |
| CAB | CAO | H5 | 109.5° | 109.5° |
| CAB | CAO | H6 | 109.5° | 109.4° |
| H4 | CAO | H5 | 109.5° | 109.5° |
| H4 | CAO | H6 | 109.5° | 109.5° |
| H5 | CAO | H6 | 109.5° | 109.5° |
| H7 | NAA | CAE | 109.5° | 110.9° |
| NAA | CAE | CAF | 117.6° | 110.4° |
| NAA | CAE | H9 | 108.5° | 110.4° |
| NAA | CAE | CAD | 100.5° | 104.6° |
| CAF | CAE | H9 | 107.7° | 110.4° |
| CAF | CAE | CAD | 114.5° | 110.4° |
| CAE | CAF | CAG | 117.8° | 109.5° |
| CAE | CAF | H12 | 107.4° | 109.5° |
| CAE | CAF | H251 | 107.4° | 109.4° |
| H9 | CAE | CAD | 107.6° | 110.5° |
| CAE | CAD | H10 | 106.6° | 110.3° |
| CAE | CAD | OAQ | 114.7° | 110.3° |
| H10 | CAD | OAQ | 108.1° | 110.4° |
| CAD | OAQ | H11 | 109.5° | 114.0° |
| CAG | CAF | H12 | 107.3° | 109.5° |
| CAF | CAG | NAH | 115.9° | 109.5° |
| CAF | CAG | H13 | 107.8° | 109.5° |
| CAG | CAF | H251 | 107.3° | 109.4° |
| CAF | CAG | H26 | 107.8° | 109.5° |
| H12 | CAF | H251 | 109.5° | 109.4° |
| NAH | CAG | H13 | 107.8° | 109.5° |
| CAG | NAH | H14 | 108.1° | 111.0° |
| CAG | NAH | CAN | 114.7° | 111.0° |
| NAH | CAG | H26 | 107.9° | 109.4° |
| H13 | CAG | H26 | 109.5° | 109.5° |
| H14 | NAH | CAN | 108.2° | 111.0° |
| NAH | CAN | CAJ | 121.7° | 109.5° |
| NAH | CAN | H15 | 106.4° | 109.5° |
| NAH | CAN | H16 | 106.3° | 109.4° |
| CAJ | CAN | H15 | 106.3° | 109.5° |
| CAJ | CAN | H16 | 106.3° | 109.5° |
| CAN | CAJ | CAK | 128.6° | 124.7° |
| CAN | CAJ | CAI | 120.8° | 124.7° |
| H15 | CAN | H16 | 109.5° | 109.5° |
| CAJ | CAK | CAL | 105.4° | 110.6° |
| CAJ | CAK | H17 | 127.3° | 124.7° |
| CAK | CAJ | CAI | 110.6° | 110.6° |
| CAL | CAK | H17 | 127.3° | 124.7° |
| CAK | CAL | H18 | 125.3° | 126.5° |
| CAK | CAL | CAM | 109.4° | 106.8° |
| H18 | CAL | CAM | 125.3° | 126.6° |
| CAL | CAM | H19 | 124.8° | 110.3° |
| CAL | CAM | CAI | 108.4° | 105.0° |
| CAL | CAM | FE | 69.9° | 110.3° |
| H19 | CAM | CAI | 124.9° | 110.5° |
| H19 | CAM | FE | 113.3° | 110.3° |
| CAJ | CAI | CAM | 106.0° | 106.9° |
| CAJ | CAI | H20 | 127.0° | 126.6° |
| CAM | CAI | H20 | 127.0° | 126.5° |
| CAI | CAM | FE | 70.3° | 110.3° |
| CBI | CBJ | H21 | 126.0° | 124.7° |
| CBJ | CBI | H22 | 126.2° | 124.6° |
| CBJ | CBI | CBM | 107.6° | 110.7° |
| CBI | CBJ | CBK | 107.9° | 110.6° |
| H21 | CBJ | CBK | 126.0° | 124.7° |
| H22 | CBI | CBM | 126.2° | 124.7° |
| CBI | CBM | H23 | 125.7° | 126.7° |
| CBI | CBM | CBL | 108.7° | 106.8° |
| H23 | CBM | CBL | 125.7° | 126.5° |
| FE | CBL | CBM | 70.0° | 110.4° |
| FE | CBL | H24 | 113.6° | 110.3° |
| FE | CBL | CBK | 70.1° | 110.5° |
| CBL | FE | CAM | 115.1° | 180.0° |
| CBM | CBL | H24 | 125.6° | 110.3° |
| CBM | CBL | CBK | 107.1° | 105.1° |
| H24 | CBL | CBK | 125.6° | 110.1° |
| CBL | CBK | CBJ | 108.6° | 106.8° |
| CBL | CBK | H25 | 125.7° | 126.6° |
| CBJ | CBK | H25 | 125.7° | 126.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAC | CAD | CAB | 113.7° | 118.9° |
| OAP | CAC | CAD | H2 | 132.0° | 122.2° |
| OAP | CAC | CAB | H2 | 123.6° | 122.2° |
| OAP | CAC | CAB | NAA | 70.4° | 142.7° |
| OAP | CAC | CAB | H3 | 174.6° | 98.5° |
| OAP | CAC | CAB | CAO | 51.9° | 23.9° |
| OAP | CAC | CAD | CAE | 65.7° | 118.9° |
| OAP | CAC | CAD | H10 | 178.8° | 122.2° |
| OAP | CAC | CAD | OAQ | 61.4° | 0.1° |
| H1 | OAP | CAC | CAD | 180.0° | 180.0° |
| H1 | OAP | CAC | CAB | 73.9° | 64.4° |
| H1 | OAP | CAC | H2 | 48.7° | 57.9° |
| CAD | CAC | CAB | H2 | 114.4° | 118.9° |
| CAD | CAC | CAB | NAA | 51.6° | 23.9° |
| CAD | CAC | CAB | H3 | 63.4° | 142.6° |
| CAD | CAC | CAB | CAO | 173.9° | 94.9° |
| CAC | CAD | CAE | NAA | 25.6° | 23.9° |
| CAC | CAD | CAE | CAF | 152.6° | 142.6° |
| CAC | CAD | CAE | H9 | 87.7° | 95.0° |
| CAC | CAD | CAE | H10 | 113.2° | 118.9° |
| CAC | CAD | CAE | OAQ | 127.1° | 118.9° |
| CAC | CAD | H10 | OAQ | 124.0° | 122.1° |
| CAC | CAD | OAQ | H11 | 180.0° | 61.4° |
| CAC | CAB | NAA | H3 | 114.4° | 118.8° |
| CAC | CAB | NAA | CAO | 123.4° | 118.8° |
| CAC | CAB | H3 | CAO | 126.4° | 122.4° |
| CAC | CAB | CAO | H4 | 180.0° | 60.0° |
| CAC | CAB | CAO | H5 | 60.0° | 180.0° |
| CAC | CAB | CAO | H6 | 60.0° | 60.0° |
| CAC | CAB | NAA | H7 | 80.2° | 159.0° |
| CAC | CAB | NAA | CAE | 39.8° | 39.5° |
| CAB | CAC | CAD | CAE | 48.0° | 0.0° |
| CAB | CAC | CAD | H10 | 65.1° | 118.9° |
| CAB | CAC | CAD | OAQ | 175.1° | 118.9° |
| H2 | CAC | CAB | NAA | 166.0° | 95.1° |
| H2 | CAC | CAB | H3 | 51.0° | 23.7° |
| H2 | CAC | CAB | CAO | 71.7° | 146.2° |
| H2 | CAC | CAD | CAE | 162.3° | 119.0° |
| H2 | CAC | CAD | H10 | 49.2° | 0.1° |
| H2 | CAC | CAD | OAQ | 70.6° | 122.1° |
| NAA | CAB | H3 | CAO | 124.9° | 122.4° |
| NAA | CAB | CAO | H4 | 65.2° | 175.2° |
| NAA | CAB | CAO | H5 | 54.8° | 64.8° |
| NAA | CAB | CAO | H6 | 174.8° | 55.2° |
| CAB | NAA | H7 | CAE | 119.8° | 115.4° |
| CAB | NAA | CAE | CAF | 115.9° | 158.2° |
| CAB | NAA | CAE | H9 | 121.7° | 79.4° |
| CAB | NAA | CAE | CAD | 8.9° | 39.5° |
| H3 | CAB | CAO | H4 | 57.4° | 62.5° |
| H3 | CAB | CAO | H5 | 177.4° | 57.6° |
| H3 | CAB | CAO | H6 | 62.6° | 177.6° |
| H3 | CAB | NAA | H7 | 165.4° | 82.2° |
| H3 | CAB | NAA | CAE | 74.6° | 158.3° |
| CAB | CAO | H4 | H5 | 120.0° | 120.1° |
| CAB | CAO | H4 | H6 | 120.0° | 119.9° |
| CAB | CAO | H5 | H6 | 120.0° | 120.0° |
| CAO | CAB | NAA | H7 | 43.2° | 40.2° |
| CAO | CAB | NAA | CAE | 163.2° | 79.3° |
| H4 | CAO | H5 | H6 | 120.0° | 120.0° |
| H7 | NAA | CAE | CAF | 124.1° | 82.2° |
| H7 | NAA | CAE | H9 | 1.7° | 40.2° |
| H7 | NAA | CAE | CAD | 111.0° | 159.1° |
| NAA | CAE | CAF | H9 | 122.8° | 122.4° |
| NAA | CAE | CAF | CAD | 117.6° | 115.1° |
| NAA | CAE | H9 | CAD | 107.9° | 115.2° |
| NAA | CAE | CAD | H10 | 87.6° | 95.0° |
| NAA | CAE | CAD | OAQ | 152.8° | 142.8° |
| NAA | CAE | CAF | CAG | 36.7° | 66.5° |
| NAA | CAE | CAF | H12 | 84.4° | 53.6° |
| NAA | CAE | CAF | H251 | 157.9° | 173.5° |
| CAF | CAE | H9 | CAD | 123.9° | 122.4° |
| CAF | CAE | CAD | H10 | 39.4° | 23.7° |
| CAF | CAE | CAD | OAQ | 80.2° | 98.5° |
| CAE | CAF | CAG | H12 | 121.2° | 120.1° |
| CAE | CAF | CAG | H251 | 121.2° | 120.0° |
| CAE | CAF | H12 | H251 | 116.3° | 120.0° |
| CAE | CAF | CAG | NAH | 178.3° | 180.0° |
| CAE | CAF | CAG | H13 | 57.4° | 60.0° |
| CAE | CAF | CAG | H26 | 60.7° | 60.1° |
| H9 | CAE | CAD | H10 | 159.1° | 146.2° |
| H9 | CAE | CAD | OAQ | 39.4° | 23.9° |
| H9 | CAE | CAF | CAG | 86.0° | 55.9° |
| H9 | CAE | CAF | H12 | 152.8° | 176.0° |
| H9 | CAE | CAF | H251 | 35.1° | 64.1° |
| CAE | CAD | H10 | OAQ | 123.9° | 122.2° |
| CAE | CAD | OAQ | H11 | 57.9° | 177.1° |
| CAD | CAE | CAF | CAG | 154.4° | 178.4° |
| CAD | CAE | CAF | H12 | 33.2° | 61.6° |
| CAD | CAE | CAF | H251 | 84.4° | 58.4° |
| H10 | CAD | OAQ | H11 | 60.9° | 60.7° |
| CAG | CAF | H12 | H251 | 116.2° | 120.0° |
| CAF | CAG | NAH | H13 | 120.9° | 120.0° |
| CAF | CAG | NAH | H26 | 121.0° | 120.0° |
| CAF | CAG | H13 | H26 | 117.0° | 120.0° |
| CAF | CAG | NAH | H14 | 132.4° | 56.0° |
| CAF | CAG | NAH | CAN | 106.8° | 180.0° |
| H12 | CAF | CAG | NAH | 60.5° | 59.9° |
| H12 | CAF | CAG | H13 | 178.6° | 179.9° |
| H12 | CAF | CAG | H26 | 60.4° | 60.0° |
| NAH | CAG | H13 | H26 | 117.1° | 119.9° |
| CAG | NAH | H14 | CAN | 124.8° | 124.0° |
| CAG | NAH | CAN | CAJ | 158.0° | 180.0° |
| CAG | NAH | CAN | H15 | 80.3° | 60.0° |
| CAG | NAH | CAN | H16 | 36.3° | 60.0° |
| NAH | CAG | CAF | H251 | 57.1° | 60.0° |
| H13 | CAG | NAH | H14 | 106.7° | 176.0° |
| H13 | CAG | NAH | CAN | 14.1° | 60.0° |
| H13 | CAG | CAF | H251 | 63.8° | 60.0° |
| H14 | NAH | CAN | CAJ | 37.2° | 56.1° |
| H14 | NAH | CAN | H15 | 159.0° | 176.1° |
| H14 | NAH | CAN | H16 | 84.4° | 64.0° |
| H14 | NAH | CAG | H26 | 11.5° | 63.9° |
| NAH | CAN | CAJ | H15 | 121.7° | 120.0° |
| NAH | CAN | CAJ | H16 | 121.7° | 120.0° |
| NAH | CAN | H15 | H16 | 114.5° | 120.0° |
| NAH | CAN | CAJ | CAK | 13.8° | 85.0° |
| NAH | CAN | CAJ | CAI | 163.0° | 94.7° |
| CAN | NAH | CAG | H26 | 132.2° | 60.0° |
| CAJ | CAN | H15 | H16 | 114.5° | 120.1° |
| CAN | CAJ | CAK | CAI | 177.1° | 179.7° |
| CAN | CAJ | CAK | CAL | 173.0° | 180.0° |
| CAN | CAJ | CAK | H17 | 7.0° | 0.0° |
| CAN | CAJ | CAI | CAM | 173.5° | 179.9° |
| CAN | CAJ | CAI | H20 | 6.5° | 0.0° |
| H15 | CAN | CAJ | CAK | 107.9° | 155.0° |
| H15 | CAN | CAJ | CAI | 75.3° | 25.3° |
| H16 | CAN | CAJ | CAK | 135.5° | 35.0° |
| H16 | CAN | CAJ | CAI | 41.3° | 145.3° |
| CAJ | CAK | CAL | H17 | 180.0° | 180.0° |
| CAJ | CAK | CAL | H18 | 177.2° | 180.0° |
| CAJ | CAK | CAL | CAM | 2.8° | 0.0° |
| CAK | CAJ | CAI | CAM | 3.9° | 0.4° |
| CAK | CAJ | CAI | H20 | 176.1° | 179.8° |
| CAK | CAL | H18 | CAM | 180.0° | 180.0° |
| CAK | CAL | CAM | H19 | 164.4° | 118.9° |
| CAL | CAK | CAJ | CAI | 4.2° | 0.2° |
| CAK | CAL | CAM | CAI | 0.5° | 0.2° |
| CAK | CAL | CAM | FE | 59.4° | 119.0° |
| H17 | CAK | CAL | H18 | 2.8° | 0.0° |
| H17 | CAK | CAL | CAM | 177.2° | 180.0° |
| H17 | CAK | CAJ | CAI | 175.9° | 179.7° |
| H18 | CAL | CAM | H19 | 15.6° | 61.2° |
| H18 | CAL | CAM | CAI | 179.5° | 179.8° |
| H18 | CAL | CAM | FE | 120.6° | 61.0° |
| CAL | CAM | H19 | CAI | 162.4° | 115.7° |
| CAL | CAM | H19 | FE | 81.0° | 122.1° |
| CAL | CAM | CAI | CAJ | 2.0° | 0.4° |
| CAL | CAM | CAI | FE | 59.7° | 118.8° |
| CAL | CAM | CAI | H20 | 177.9° | 179.8° |
| CAL | CAM | FE | CBL | 142.8° | 157.5° |
| H19 | CAM | CAI | CAJ | 166.9° | 118.6° |
| H19 | CAM | CAI | FE | 105.2° | 122.2° |
| H19 | CAM | CAI | H20 | 13.1° | 61.3° |
| H19 | CAM | FE | CBL | 22.6° | 80.4° |
| CAJ | CAI | CAM | H20 | 180.0° | 179.9° |
| CAJ | CAI | CAM | FE | 61.7° | 119.2° |
| CAI | CAM | FE | CBL | 97.9° | 42.0° |
| H20 | CAI | CAM | FE | 118.2° | 60.9° |
| CBI | CBJ | H21 | CBK | 180.0° | 179.7° |
| CBJ | CBI | H22 | CBM | 180.0° | 179.9° |
| CBJ | CBI | CBM | H23 | 178.9° | 180.0° |
| CBJ | CBI | CBM | CBL | 1.1° | 0.0° |
| CBI | CBJ | CBK | CBL | 0.1° | 0.4° |
| CBI | CBJ | CBK | H25 | 179.9° | 179.9° |
| H21 | CBJ | CBI | H22 | 0.6° | 0.1° |
| H21 | CBJ | CBI | CBM | 179.4° | 180.0° |
| H21 | CBJ | CBK | CBL | 179.9° | 179.9° |
| H21 | CBJ | CBK | H25 | 0.1° | 0.2° |
| H22 | CBI | CBM | H23 | 1.0° | 0.0° |
| H22 | CBI | CBM | CBL | 178.9° | 179.9° |
| H22 | CBI | CBJ | CBK | 179.4° | 179.8° |
| CBI | CBM | H23 | CBL | 180.0° | 179.9° |
| CBI | CBM | CBL | FE | 59.4° | 118.9° |
| CBI | CBM | CBL | H24 | 164.7° | 118.9° |
| CBI | CBM | CBL | CBK | 1.1° | 0.2° |
| CBM | CBI | CBJ | CBK | 0.6° | 0.3° |
| H23 | CBM | CBL | FE | 120.6° | 61.1° |
| H23 | CBM | CBL | H24 | 15.3° | 61.1° |
| H23 | CBM | CBL | CBK | 178.9° | 179.8° |
| FE | CBL | CBM | H24 | 105.3° | 122.2° |
| FE | CBL | CBM | CBK | 60.5° | 119.1° |
| FE | CBL | H24 | CBK | 81.7° | 122.2° |
| FE | CBL | CBK | CBJ | 59.7° | 118.6° |
| FE | CBL | CBK | H25 | 120.3° | 61.0° |
| CBM | CBL | H24 | CBK | 163.3° | 115.6° |
| CBM | CBL | CBK | CBJ | 0.8° | 0.4° |
| CBM | CBL | CBK | H25 | 179.2° | 179.9° |
| CBM | CBL | FE | CAM | 100.1° | 22.5° |
| H24 | CBL | CBK | CBJ | 165.1° | 119.2° |
| H24 | CBL | CBK | H25 | 14.9° | 61.1° |
| H24 | CBL | FE | CAM | 21.0° | 99.7° |
| CBL | CBK | CBJ | H25 | 180.0° | 179.7° |
| CBK | CBL | FE | CAM | 142.1° | 138.3° |
| H251 | CAF | CAG | H26 | 178.1° | 180.0° |
