1A8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAH | sing | 1.38Å | 1.51Å | Aromatic |
| CAF | CAG | doub | 1.33Å | 1.42Å | Aromatic |
| CAH | CAY | doub | 1.33Å | 1.45Å | Aromatic |
| OAE | SBA | doub | 1.42Å | 1.45Å | |
| CAG | SAR | sing | 1.76Å | 1.63Å | Aromatic |
| CAY | SBA | sing | 1.76Å | 1.79Å | |
| CAY | SAR | sing | 1.76Å | 1.63Å | Aromatic |
| OAD | SBA | doub | 1.42Å | 1.45Å | |
| SBA | NAP | sing | 1.66Å | 1.65Å | |
| NAP | CAV | sing | 1.40Å | 1.42Å | |
| CAV | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAL | CAW | doub | 1.39Å | 1.38Å | Aromatic |
| CAU | NAO | sing | 1.40Å | 1.43Å | |
| CAU | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| CAW | CAX | sing | 1.48Å | 1.48Å | |
| NAO | CAT | sing | 1.35Å | 1.42Å | |
| NAQ | CAX | sing | 1.37Å | 1.39Å | |
| NAQ | CAZ | sing | 1.34Å | 1.33Å | |
| OAC | CAZ | doub | 1.22Å | 1.22Å | |
| CAX | CAI | doub | 1.34Å | 1.45Å | |
| CAZ | SAS | sing | 1.77Å | 1.67Å | |
| CAT | CAN | sing | 1.51Å | 1.49Å | |
| CAT | OAB | doub | 1.21Å | 1.22Å | |
| CAN | CAM | sing | 1.53Å | 1.49Å | |
| CAI | SAS | sing | 1.77Å | 1.70Å | |
| CAM | CAA | sing | 1.53Å | 1.49Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| NAO | H8 | sing | 0.97Å | 1.00Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| NAP | H13 | sing | 0.97Å | 1.00Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| NAQ | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAF | CAG | 110.7° | 114.9° |
| CAF | CAH | CAY | 111.6° | 114.9° |
| CAH | CAF | H15 | 124.7° | 122.5° |
| CAF | CAH | H16 | 124.2° | 122.5° |
| CAF | CAG | SAR | 108.4° | 109.6° |
| CAF | CAG | H14 | 125.8° | 125.2° |
| CAG | CAF | H15 | 124.6° | 122.6° |
| CAH | CAY | SBA | 127.1° | 125.2° |
| CAH | CAY | SAR | 106.7° | 109.6° |
| CAY | CAH | H16 | 124.2° | 122.5° |
| OAE | SBA | CAY | 110.8° | 106.4° |
| OAE | SBA | OAD | 101.2° | 123.2° |
| OAE | SBA | NAP | 111.6° | 106.4° |
| CAG | SAR | CAY | 102.6° | 91.0° |
| SAR | CAG | H14 | 125.8° | 125.2° |
| SBA | CAY | SAR | 126.2° | 125.2° |
| CAY | SBA | OAD | 107.8° | 106.4° |
| CAY | SBA | NAP | 117.5° | 107.2° |
| OAD | SBA | NAP | 106.5° | 106.4° |
| SBA | NAP | CAV | 114.5° | 120.0° |
| SBA | NAP | H13 | 108.2° | 120.0° |
| NAP | CAV | CAJ | 120.5° | 120.0° |
| NAP | CAV | CAL | 119.7° | 120.0° |
| CAV | NAP | H13 | 108.2° | 120.0° |
| CAJ | CAV | CAL | 119.7° | 120.0° |
| CAV | CAJ | CAU | 120.2° | 120.2° |
| CAV | CAJ | H9 | 119.9° | 119.9° |
| CAV | CAL | CAW | 119.6° | 120.0° |
| CAV | CAL | H12 | 120.2° | 120.0° |
| CAJ | CAU | NAO | 116.4° | 120.0° |
| CAJ | CAU | CAK | 120.3° | 120.1° |
| CAU | CAJ | H9 | 119.9° | 119.9° |
| CAL | CAW | CAK | 121.5° | 119.8° |
| CAL | CAW | CAX | 117.8° | 120.1° |
| CAW | CAL | H12 | 120.2° | 120.0° |
| NAO | CAU | CAK | 123.3° | 119.9° |
| CAU | NAO | CAT | 127.8° | 120.0° |
| CAU | NAO | H8 | 116.1° | 120.0° |
| CAU | CAK | CAW | 118.7° | 119.9° |
| CAU | CAK | H10 | 120.6° | 120.1° |
| CAK | CAW | CAX | 120.7° | 120.1° |
| CAW | CAK | H10 | 120.7° | 120.0° |
| CAW | CAX | NAQ | 124.1° | 121.2° |
| CAW | CAX | CAI | 127.1° | 121.2° |
| NAO | CAT | CAN | 116.5° | 120.0° |
| NAO | CAT | OAB | 122.6° | 120.0° |
| CAT | NAO | H8 | 116.1° | 120.0° |
| CAX | NAQ | CAZ | 118.5° | 117.3° |
| NAQ | CAX | CAI | 108.8° | 117.6° |
| CAX | NAQ | H17 | 120.7° | 121.3° |
| NAQ | CAZ | OAC | 123.5° | 127.3° |
| NAQ | CAZ | SAS | 108.5° | 105.2° |
| CAZ | NAQ | H17 | 120.7° | 121.4° |
| OAC | CAZ | SAS | 128.0° | 127.4° |
| CAX | CAI | SAS | 108.2° | 105.3° |
| CAX | CAI | H11 | 125.9° | 127.4° |
| CAZ | SAS | CAI | 96.0° | 94.6° |
| CAN | CAT | OAB | 120.8° | 120.0° |
| CAT | CAN | CAM | 110.6° | 109.4° |
| CAT | CAN | H6 | 109.2° | 109.5° |
| CAT | CAN | H7 | 109.2° | 109.5° |
| CAN | CAM | CAA | 109.2° | 109.4° |
| CAN | CAM | H4 | 109.5° | 109.5° |
| CAN | CAM | H5 | 109.5° | 109.5° |
| CAM | CAN | H6 | 109.2° | 109.5° |
| CAM | CAN | H7 | 109.2° | 109.5° |
| SAS | CAI | H11 | 126.0° | 127.3° |
| CAM | CAA | H1 | 109.5° | 109.5° |
| CAM | CAA | H2 | 109.5° | 109.5° |
| CAM | CAA | H3 | 109.5° | 109.4° |
| CAA | CAM | H4 | 109.5° | 109.4° |
| CAA | CAM | H5 | 109.6° | 109.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAF | CAG | H15 | 180.0° | 179.4° |
| CAF | CAH | CAY | H16 | 180.0° | 179.6° |
| CAH | CAF | CAG | SAR | 0.1° | 0.3° |
| CAF | CAH | CAY | SBA | 178.1° | 179.8° |
| CAF | CAH | CAY | SAR | 1.1° | 0.4° |
| CAH | CAF | CAG | H14 | 179.9° | 179.8° |
| CAG | CAF | CAH | CAY | 0.7° | 0.5° |
| CAF | CAG | SAR | H14 | 180.0° | 179.9° |
| CAF | CAG | SAR | CAY | 0.7° | 0.0° |
| CAG | CAF | CAH | H16 | 179.3° | 179.9° |
| CAH | CAY | SBA | OAE | 1.0° | 156.8° |
| CAH | CAY | SAR | CAG | 1.1° | 0.2° |
| CAH | CAY | SBA | SAR | 176.4° | 179.7° |
| CAH | CAY | SBA | OAD | 110.9° | 23.8° |
| CAH | CAY | SBA | NAP | 128.8° | 89.7° |
| CAY | CAH | CAF | H15 | 179.3° | 179.9° |
| OAE | SBA | CAY | OAD | 109.8° | 132.9° |
| OAE | SBA | CAY | NAP | 129.9° | 113.5° |
| OAE | SBA | CAY | SAR | 175.4° | 23.5° |
| OAE | SBA | OAD | NAP | 116.7° | 122.9° |
| OAE | SBA | NAP | CAV | 169.4° | 48.5° |
| OAE | SBA | NAP | H13 | 69.8° | 131.5° |
| CAG | SAR | CAY | SBA | 178.1° | 180.0° |
| SAR | CAG | CAF | H15 | 179.9° | 179.7° |
| CAY | SBA | OAD | NAP | 127.0° | 114.1° |
| CAY | SBA | NAP | CAV | 40.0° | 65.0° |
| CAY | SBA | NAP | H13 | 160.7° | 114.9° |
| SBA | CAY | CAH | H16 | 1.9° | 0.2° |
| SAR | CAY | SBA | OAD | 65.5° | 156.5° |
| SAR | CAY | SBA | NAP | 54.8° | 90.0° |
| CAY | SAR | CAG | H14 | 179.3° | 180.0° |
| SAR | CAY | CAH | H16 | 178.9° | 180.0° |
| OAD | SBA | NAP | CAV | 81.0° | 178.5° |
| OAD | SBA | NAP | H13 | 39.8° | 1.4° |
| SBA | NAP | CAV | H13 | 120.7° | 179.9° |
| SBA | NAP | CAV | CAJ | 65.6° | 45.0° |
| SBA | NAP | CAV | CAL | 111.2° | 135.0° |
| NAP | CAV | CAJ | CAL | 176.8° | 180.0° |
| NAP | CAV | CAJ | CAU | 177.5° | 180.0° |
| NAP | CAV | CAL | CAW | 177.4° | 179.7° |
| NAP | CAV | CAJ | H9 | 2.6° | 0.1° |
| NAP | CAV | CAL | H12 | 2.6° | 0.0° |
| CAV | CAJ | CAU | H9 | 180.0° | 179.9° |
| CAJ | CAV | CAL | CAW | 0.6° | 0.3° |
| CAV | CAJ | CAU | NAO | 180.0° | 180.0° |
| CAV | CAJ | CAU | CAK | 0.8° | 0.4° |
| CAJ | CAV | CAL | H12 | 179.5° | 180.0° |
| CAJ | CAV | NAP | H13 | 55.2° | 135.1° |
| CAL | CAV | CAJ | CAU | 0.7° | 0.1° |
| CAV | CAL | CAW | H12 | 180.0° | 179.7° |
| CAV | CAL | CAW | CAK | 0.6° | 0.3° |
| CAV | CAL | CAW | CAX | 179.7° | 179.8° |
| CAL | CAV | CAJ | H9 | 179.3° | 179.9° |
| CAL | CAV | NAP | H13 | 128.0° | 45.0° |
| CAJ | CAU | NAO | CAK | 179.2° | 179.7° |
| CAJ | CAU | CAK | CAW | 0.8° | 0.3° |
| CAJ | CAU | NAO | CAT | 175.4° | 35.4° |
| CAJ | CAU | NAO | H8 | 4.6° | 144.6° |
| CAJ | CAU | CAK | H10 | 179.2° | 179.7° |
| CAL | CAW | CAK | CAU | 0.7° | 0.0° |
| CAL | CAW | CAK | CAX | 179.1° | 179.9° |
| CAL | CAW | CAX | NAQ | 0.4° | 179.8° |
| CAL | CAW | CAX | CAI | 177.4° | 0.1° |
| CAL | CAW | CAK | H10 | 179.2° | 180.0° |
| NAO | CAU | CAK | CAW | 180.0° | 180.0° |
| CAU | NAO | CAT | H8 | 180.0° | 180.0° |
| CAU | NAO | CAT | CAN | 179.8° | 175.4° |
| CAU | NAO | CAT | OAB | 0.7° | 4.6° |
| NAO | CAU | CAJ | H9 | 0.0° | 0.1° |
| NAO | CAU | CAK | H10 | 0.0° | 0.0° |
| CAU | CAK | CAW | H10 | 180.0° | 180.0° |
| CAU | CAK | CAW | CAX | 179.8° | 179.9° |
| CAK | CAU | NAO | CAT | 5.4° | 144.9° |
| CAK | CAU | NAO | H8 | 174.5° | 35.1° |
| CAK | CAU | CAJ | H9 | 179.2° | 179.8° |
| CAK | CAW | CAX | NAQ | 179.5° | 0.3° |
| CAK | CAW | CAX | CAI | 1.6° | 180.0° |
| CAK | CAW | CAL | H12 | 179.4° | 180.0° |
| CAW | CAX | NAQ | CAI | 178.2° | 179.7° |
| CAW | CAX | NAQ | CAZ | 178.2° | 179.8° |
| CAW | CAX | CAI | SAS | 178.8° | 179.9° |
| CAX | CAW | CAK | H10 | 0.2° | 0.1° |
| CAW | CAX | CAI | H11 | 1.2° | 0.0° |
| CAX | CAW | CAL | H12 | 0.3° | 0.1° |
| CAW | CAX | NAQ | H17 | 1.8° | 0.1° |
| NAO | CAT | CAN | OAB | 179.1° | 180.0° |
| NAO | CAT | CAN | CAM | 157.1° | 180.0° |
| NAO | CAT | CAN | H6 | 82.8° | 60.0° |
| NAO | CAT | CAN | H7 | 36.9° | 60.0° |
| CAX | NAQ | CAZ | H17 | 180.0° | 179.7° |
| CAX | NAQ | CAZ | OAC | 179.6° | 179.8° |
| CAX | NAQ | CAZ | SAS | 0.7° | 0.5° |
| NAQ | CAX | CAI | SAS | 0.7° | 0.3° |
| NAQ | CAX | CAI | H11 | 179.3° | 179.7° |
| NAQ | CAZ | OAC | SAS | 178.6° | 179.6° |
| CAZ | NAQ | CAX | CAI | 0.0° | 0.5° |
| NAQ | CAZ | SAS | CAI | 1.0° | 0.3° |
| OAC | CAZ | SAS | CAI | 179.8° | 179.9° |
| OAC | CAZ | NAQ | H17 | 0.4° | 0.1° |
| CAX | CAI | SAS | CAZ | 1.0° | 0.0° |
| CAX | CAI | SAS | H11 | 180.0° | 180.0° |
| CAI | CAX | NAQ | H17 | 180.0° | 179.7° |
| CAZ | SAS | CAI | H11 | 179.0° | 180.0° |
| SAS | CAZ | NAQ | H17 | 179.3° | 179.8° |
| CAT | CAN | CAM | H6 | 120.2° | 120.0° |
| CAT | CAN | CAM | H7 | 120.2° | 120.0° |
| CAT | CAN | CAM | CAA | 73.1° | 180.0° |
| CAT | CAN | CAM | H4 | 46.9° | 60.0° |
| CAT | CAN | CAM | H5 | 167.0° | 60.0° |
| CAT | CAN | H6 | H7 | 119.5° | 120.0° |
| CAN | CAT | NAO | H8 | 0.2° | 4.6° |
| OAB | CAT | CAN | CAM | 23.8° | 0.0° |
| OAB | CAT | CAN | H6 | 96.3° | 120.0° |
| OAB | CAT | CAN | H7 | 144.0° | 120.0° |
| OAB | CAT | NAO | H8 | 179.3° | 175.4° |
| CAN | CAM | CAA | H4 | 120.0° | 120.0° |
| CAN | CAM | CAA | H5 | 120.0° | 120.0° |
| CAN | CAM | CAA | H1 | 180.0° | 180.0° |
| CAN | CAM | CAA | H2 | 60.0° | 60.0° |
| CAN | CAM | CAA | H3 | 60.0° | 60.0° |
| CAN | CAM | H4 | H5 | 120.1° | 120.0° |
| CAM | CAN | H6 | H7 | 119.5° | 120.0° |
| CAM | CAA | H1 | H2 | 120.0° | 120.1° |
| CAM | CAA | H1 | H3 | 120.0° | 119.9° |
| CAM | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAM | H4 | H5 | 120.2° | 120.0° |
| CAA | CAM | CAN | H6 | 166.8° | 60.0° |
| CAA | CAM | CAN | H7 | 47.1° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAM | H4 | 60.0° | 60.1° |
| H1 | CAA | CAM | H5 | 60.1° | 60.0° |
| H2 | CAA | CAM | H4 | 180.0° | 60.0° |
| H2 | CAA | CAM | H5 | 59.9° | 179.9° |
| H3 | CAA | CAM | H4 | 60.0° | 180.0° |
| H3 | CAA | CAM | H5 | 180.0° | 60.0° |
| H4 | CAM | CAN | H6 | 73.3° | 179.9° |
| H4 | CAM | CAN | H7 | 167.1° | 59.9° |
| H5 | CAM | CAN | H6 | 46.8° | 60.0° |
| H5 | CAM | CAN | H7 | 72.9° | NaN° |
| H14 | CAG | CAF | H15 | 0.1° | 0.3° |
| H15 | CAF | CAH | H16 | 0.7° | 0.5° |
