X8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAL | CAK | sing | 1.47Å | 1.45Å | |
| NAL | CAM | sing | 1.47Å | 1.45Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| CBD | CBE | doub | 1.38Å | 1.38Å | Aromatic |
| CBD | CBC | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.52Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAI | CAN | sing | 1.53Å | 1.53Å | |
| CAI | NAH | sing | 1.47Å | 1.47Å | |
| CBE | CBF | sing | 1.38Å | 1.38Å | Aromatic |
| NAH | CAF | sing | 1.35Å | 1.46Å | |
| CLBI | CBC | sing | 1.74Å | 1.77Å | |
| CBC | CBB | doub | 1.40Å | 1.37Å | Aromatic |
| CBF | CBG | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | OAG | doub | 1.22Å | 1.18Å | |
| CAF | CAC | sing | 1.48Å | 1.53Å | |
| CBB | CBG | sing | 1.40Å | 1.38Å | Aromatic |
| CBB | CAZ | sing | 1.47Å | 1.51Å | |
| NAD | CAC | doub | 1.32Å | 1.36Å | Aromatic |
| NAD | NAE | sing | 1.40Å | 1.40Å | Aromatic |
| CBG | CLBH | sing | 1.74Å | 1.78Å | |
| CAC | CAB | sing | 1.42Å | 1.41Å | Aromatic |
| CAZ | NAE | sing | 1.35Å | 1.44Å | |
| CAZ | OBA | doub | 1.21Å | 1.17Å | |
| NAE | CAA | sing | 1.37Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.35Å | 1.36Å | Aromatic |
| CAB | NAO | sing | 1.40Å | 1.45Å | |
| NAO | CAP | sing | 1.35Å | 1.44Å | |
| CLAY | CAW | sing | 1.74Å | 1.78Å | |
| CAP | CAR | sing | 1.48Å | 1.52Å | |
| CAP | OAQ | doub | 1.22Å | 1.18Å | |
| CAW | CAR | doub | 1.40Å | 1.38Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | sing | 1.40Å | 1.37Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CLAX | sing | 1.74Å | 1.77Å | |
| CAS | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAU | H10 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.08Å | 1.08Å | |
| CBD | H12 | sing | 1.08Å | 1.08Å | |
| CBE | H13 | sing | 1.08Å | 1.08Å | |
| CBF | H14 | sing | 1.08Å | 1.08Å | |
| NAH | H15 | sing | 0.97Å | 1.00Å | |
| NAL | H16 | sing | 1.01Å | 1.00Å | |
| NAO | H17 | sing | 0.97Å | 1.00Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | NAL | CAM | 118.3° | 111.2° |
| NAL | CAK | CAJ | 118.1° | 109.5° |
| NAL | CAK | H5 | 107.3° | 109.4° |
| NAL | CAK | H6 | 107.3° | 109.4° |
| CAK | NAL | H16 | 107.2° | 111.0° |
| NAL | CAM | CAN | 118.0° | 109.5° |
| NAL | CAM | H7 | 107.3° | 109.5° |
| CAM | NAL | H16 | 107.2° | 111.0° |
| NAL | CAM | H18 | 107.3° | 109.5° |
| CAK | CAJ | CAI | 118.1° | 109.3° |
| CAK | CAJ | H3 | 107.3° | 109.5° |
| CAK | CAJ | H4 | 107.3° | 109.5° |
| CAJ | CAK | H5 | 107.2° | 109.4° |
| CAJ | CAK | H6 | 107.3° | 109.5° |
| CBE | CBD | CBC | 119.4° | 120.2° |
| CBD | CBE | CBF | 120.1° | 120.4° |
| CBE | CBD | H12 | 120.3° | 119.9° |
| CBD | CBE | H13 | 120.0° | 119.9° |
| CBD | CBC | CLBI | 121.4° | 120.1° |
| CBD | CBC | CBB | 121.0° | 119.8° |
| CBC | CBD | H12 | 120.3° | 119.9° |
| CAM | CAN | CAI | 119.1° | 109.3° |
| CAN | CAM | H7 | 107.3° | 109.5° |
| CAM | CAN | H8 | 107.0° | 109.4° |
| CAN | CAM | H18 | 107.3° | 109.4° |
| CAM | CAN | H19 | 107.0° | 109.5° |
| CAJ | CAI | CAN | 107.7° | 109.1° |
| CAJ | CAI | NAH | 107.3° | 109.5° |
| CAJ | CAI | H2 | 107.9° | 109.5° |
| CAI | CAJ | H3 | 107.3° | 109.5° |
| CAI | CAJ | H4 | 107.3° | 109.5° |
| CAN | CAI | NAH | 117.2° | 109.5° |
| CAN | CAI | H2 | 107.9° | 109.6° |
| CAI | CAN | H8 | 107.0° | 109.5° |
| CAI | CAN | H19 | 107.0° | 109.6° |
| CAI | NAH | CAF | 130.6° | 120.0° |
| NAH | CAI | H2 | 108.6° | 109.6° |
| CAI | NAH | H15 | 114.7° | 120.0° |
| CBE | CBF | CBG | 120.0° | 120.2° |
| CBF | CBE | H13 | 119.9° | 119.8° |
| CBE | CBF | H14 | 120.0° | 119.9° |
| NAH | CAF | OAG | 125.1° | 120.0° |
| NAH | CAF | CAC | 119.7° | 120.0° |
| CAF | NAH | H15 | 114.7° | 120.0° |
| CLBI | CBC | CBB | 117.7° | 120.1° |
| CBC | CBB | CBG | 119.9° | 119.6° |
| CBC | CBB | CAZ | 116.3° | 120.2° |
| CBF | CBG | CBB | 119.6° | 119.8° |
| CBF | CBG | CLBH | 118.6° | 120.1° |
| CBG | CBF | H14 | 120.0° | 119.9° |
| OAG | CAF | CAC | 115.2° | 120.0° |
| CAF | CAC | NAD | 129.2° | 126.0° |
| CAF | CAC | CAB | 121.6° | 126.0° |
| CBG | CBB | CAZ | 123.8° | 120.2° |
| CBB | CBG | CLBH | 121.8° | 120.1° |
| CBB | CAZ | NAE | 123.0° | 120.0° |
| CBB | CAZ | OBA | 118.8° | 120.1° |
| CAC | NAD | NAE | 106.7° | 108.3° |
| NAD | CAC | CAB | 109.2° | 108.0° |
| NAD | NAE | CAZ | 126.9° | 126.0° |
| NAD | NAE | CAA | 108.7° | 108.1° |
| CAC | CAB | CAA | 108.1° | 107.8° |
| CAC | CAB | NAO | 121.0° | 126.1° |
| NAE | CAZ | OBA | 118.2° | 120.0° |
| CAZ | NAE | CAA | 124.3° | 126.0° |
| NAE | CAA | CAB | 107.2° | 107.8° |
| NAE | CAA | H1 | 126.4° | 126.1° |
| CAA | CAB | NAO | 130.9° | 126.1° |
| CAB | CAA | H1 | 126.4° | 126.1° |
| CAB | NAO | CAP | 127.1° | 120.0° |
| CAB | NAO | H17 | 116.5° | 120.0° |
| NAO | CAP | CAR | 116.7° | 120.0° |
| NAO | CAP | OAQ | 121.8° | 120.0° |
| CAP | NAO | H17 | 116.5° | 120.1° |
| CLAY | CAW | CAR | 120.1° | 120.1° |
| CLAY | CAW | CAV | 119.3° | 120.1° |
| CAR | CAP | OAQ | 121.5° | 120.0° |
| CAP | CAR | CAW | 121.1° | 120.1° |
| CAP | CAR | CAS | 119.5° | 120.2° |
| CAR | CAW | CAV | 120.6° | 119.8° |
| CAW | CAR | CAS | 119.4° | 119.7° |
| CAW | CAV | CAU | 119.9° | 120.2° |
| CAW | CAV | H11 | 120.0° | 119.9° |
| CAR | CAS | CLAX | 119.3° | 120.1° |
| CAR | CAS | CAT | 120.5° | 119.8° |
| CAV | CAU | CAT | 119.6° | 120.3° |
| CAV | CAU | H10 | 120.2° | 119.8° |
| CAU | CAV | H11 | 120.1° | 119.9° |
| CLAX | CAS | CAT | 120.2° | 120.1° |
| CAS | CAT | CAU | 120.1° | 120.2° |
| CAS | CAT | H9 | 120.0° | 119.9° |
| CAU | CAT | H9 | 120.0° | 119.9° |
| CAT | CAU | H10 | 120.2° | 119.9° |
| H3 | CAJ | H4 | 109.5° | 109.5° |
| H5 | CAK | H6 | 109.4° | 109.5° |
| H7 | CAM | H18 | 109.5° | 109.5° |
| H8 | CAN | H19 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | NAL | CAM | H16 | 121.2° | 124.1° |
| NAL | CAK | CAJ | H5 | 121.3° | 120.0° |
| NAL | CAK | CAJ | H6 | 121.3° | 120.0° |
| CAK | NAL | CAM | CAN | 25.9° | 61.8° |
| NAL | CAK | CAJ | CAI | 16.9° | 59.2° |
| NAL | CAK | CAJ | H3 | 138.2° | 60.8° |
| NAL | CAK | CAJ | H4 | 104.3° | 179.2° |
| NAL | CAK | H5 | H6 | 116.1° | 120.0° |
| CAK | NAL | CAM | H7 | 95.3° | 58.2° |
| CAK | NAL | CAM | H18 | 147.2° | 178.3° |
| CAM | NAL | CAK | CAJ | 21.1° | 61.8° |
| NAL | CAM | CAN | H7 | 121.2° | 120.0° |
| NAL | CAM | CAN | H18 | 121.2° | 120.0° |
| NAL | CAM | CAN | CAI | 7.0° | 59.2° |
| CAM | NAL | CAK | H5 | 142.3° | 178.3° |
| CAM | NAL | CAK | H6 | 100.1° | 58.2° |
| NAL | CAM | H7 | H18 | 116.1° | 120.0° |
| NAL | CAM | CAN | H8 | 114.3° | 179.1° |
| NAL | CAM | CAN | H19 | 128.4° | 60.8° |
| CAK | CAJ | CAI | H3 | 121.3° | 120.0° |
| CAK | CAJ | CAI | H4 | 121.2° | 120.0° |
| CAK | CAJ | CAI | CAN | 45.6° | 57.7° |
| CAK | CAJ | CAI | NAH | 172.6° | 177.6° |
| CAK | CAJ | CAI | H2 | 70.7° | 62.3° |
| CAK | CAJ | H3 | H4 | 116.1° | 120.1° |
| CAJ | CAK | H5 | H6 | 116.1° | 120.0° |
| CAJ | CAK | NAL | H16 | 142.4° | 62.3° |
| CBE | CBD | CBC | H12 | 180.0° | 180.0° |
| CBD | CBE | CBF | H13 | 180.0° | 180.0° |
| CBE | CBD | CBC | CLBI | 179.9° | 180.0° |
| CBE | CBD | CBC | CBB | 0.1° | 0.0° |
| CBD | CBE | CBF | CBG | 0.2° | 0.0° |
| CBD | CBE | CBF | H14 | 179.8° | 180.0° |
| CBC | CBD | CBE | CBF | 0.1° | 0.0° |
| CBD | CBC | CLBI | CBB | 179.9° | 180.0° |
| CBD | CBC | CBB | CBG | 0.5° | 0.1° |
| CBD | CBC | CBB | CAZ | 179.4° | 179.7° |
| CBC | CBD | CBE | H13 | 179.9° | 179.9° |
| CAM | CAN | CAI | CAJ | 40.8° | 57.7° |
| CAM | CAN | CAI | H8 | 121.4° | 119.8° |
| CAM | CAN | CAI | H19 | 121.4° | 120.0° |
| CAM | CAN | CAI | NAH | 161.8° | 177.6° |
| CAM | CAN | CAI | H2 | 75.5° | 62.2° |
| CAN | CAM | H7 | H18 | 116.1° | 119.9° |
| CAM | CAN | H8 | H19 | 115.6° | 120.1° |
| CAN | CAM | NAL | H16 | 147.2° | 62.3° |
| CAJ | CAI | CAN | NAH | 121.0° | 119.9° |
| CAJ | CAI | CAN | H2 | 116.3° | 119.9° |
| CAJ | CAI | NAH | H2 | 116.4° | 120.1° |
| CAJ | CAI | NAH | CAF | 119.2° | 155.0° |
| CAI | CAJ | H3 | H4 | 116.1° | 120.1° |
| CAI | CAJ | CAK | H5 | 104.3° | 179.2° |
| CAI | CAJ | CAK | H6 | 138.2° | 60.8° |
| CAJ | CAI | CAN | H8 | 80.6° | 177.5° |
| CAJ | CAI | NAH | H15 | 60.8° | 25.1° |
| CAJ | CAI | CAN | H19 | 162.2° | 62.3° |
| CAN | CAI | NAH | H2 | 122.4° | 120.2° |
| CAN | CAI | NAH | CAF | 2.0° | 85.3° |
| CAN | CAI | CAJ | H3 | 166.8° | 62.3° |
| CAN | CAI | CAJ | H4 | 75.7° | 177.7° |
| CAI | CAN | CAM | H7 | 128.3° | 60.8° |
| CAI | CAN | H8 | H19 | 115.7° | 120.2° |
| CAN | CAI | NAH | H15 | 178.0° | 94.6° |
| CAI | CAN | CAM | H18 | 114.2° | 179.2° |
| CAI | NAH | CAF | H15 | 180.0° | 179.9° |
| CAI | NAH | CAF | OAG | 0.3° | 5.1° |
| CAI | NAH | CAF | CAC | 179.8° | 175.0° |
| NAH | CAI | CAJ | H3 | 66.2° | 57.6° |
| NAH | CAI | CAJ | H4 | 51.3° | 62.4° |
| NAH | CAI | CAN | H8 | 40.4° | 62.6° |
| NAH | CAI | CAN | H19 | 76.9° | 57.6° |
| CBE | CBF | CBG | H14 | 180.0° | 180.0° |
| CBE | CBF | CBG | CBB | 0.6° | 0.1° |
| CBE | CBF | CBG | CLBH | 179.7° | 179.7° |
| CBF | CBE | CBD | H12 | 179.9° | 180.0° |
| NAH | CAF | OAG | CAC | 179.9° | 179.9° |
| NAH | CAF | CAC | NAD | 0.0° | 5.0° |
| NAH | CAF | CAC | CAB | 179.8° | 175.0° |
| CAF | NAH | CAI | H2 | 124.5° | 34.9° |
| CLBI | CBC | CBB | CBG | 179.4° | 179.9° |
| CLBI | CBC | CBB | CAZ | 0.5° | 0.3° |
| CLBI | CBC | CBD | H12 | 0.1° | 0.0° |
| CBC | CBB | CBG | CBF | 0.8° | 0.1° |
| CBC | CBB | CBG | CAZ | 178.8° | 179.6° |
| CBC | CBB | CBG | CLBH | 179.6° | 179.7° |
| CBC | CBB | CAZ | NAE | 95.6° | 85.3° |
| CBC | CBB | CAZ | OBA | 82.9° | 94.6° |
| CBB | CBC | CBD | H12 | 179.9° | 180.0° |
| CBF | CBG | CBB | CLBH | 179.6° | 179.8° |
| CBF | CBG | CBB | CAZ | 179.6° | 179.7° |
| CBG | CBF | CBE | H13 | 179.8° | 179.9° |
| OAG | CAF | CAC | NAD | 180.0° | 175.0° |
| OAG | CAF | CAC | CAB | 0.3° | 5.1° |
| OAG | CAF | NAH | H15 | 179.7° | 175.0° |
| CAF | CAC | NAD | CAB | 179.7° | 179.9° |
| CAF | CAC | NAD | NAE | 179.9° | 179.7° |
| CAF | CAC | CAB | CAA | 179.8° | 180.0° |
| CAF | CAC | CAB | NAO | 0.4° | 0.1° |
| CAC | CAF | NAH | H15 | 0.2° | 5.0° |
| CBG | CBB | CAZ | NAE | 85.5° | 95.1° |
| CBG | CBB | CAZ | OBA | 95.9° | 85.0° |
| CBB | CBG | CBF | H14 | 179.3° | 179.9° |
| CBB | CAZ | NAE | NAD | 1.2° | 5.0° |
| CAZ | CBB | CBG | CLBH | 0.8° | 0.1° |
| CBB | CAZ | NAE | OBA | 178.5° | 179.9° |
| CBB | CAZ | NAE | CAA | 179.8° | 175.5° |
| CAC | NAD | NAE | CAZ | 179.4° | 179.9° |
| CAC | NAD | NAE | CAA | 0.2° | 0.4° |
| NAD | CAC | CAB | CAA | 0.0° | 0.0° |
| NAD | CAC | CAB | NAO | 179.8° | 180.0° |
| NAE | NAD | CAC | CAB | 0.2° | 0.2° |
| NAD | NAE | CAZ | CAA | 179.1° | 179.5° |
| NAD | NAE | CAZ | OBA | 179.7° | 175.0° |
| NAD | NAE | CAA | CAB | 0.2° | 0.4° |
| NAD | NAE | CAA | H1 | 179.8° | 179.9° |
| CLBH | CBG | CBF | H14 | 0.3° | 0.3° |
| CAC | CAB | CAA | NAE | 0.1° | 0.3° |
| CAC | CAB | CAA | NAO | 179.8° | 179.9° |
| CAC | CAB | NAO | CAP | 171.8° | 180.0° |
| CAC | CAB | CAA | H1 | 179.9° | 180.0° |
| CAC | CAB | NAO | H17 | 8.2° | 0.1° |
| CAZ | NAE | CAA | CAB | 179.4° | 180.0° |
| CAZ | NAE | CAA | H1 | 0.5° | 0.3° |
| OBA | CAZ | NAE | CAA | 1.2° | 4.5° |
| NAE | CAA | CAB | H1 | 180.0° | 179.7° |
| NAE | CAA | CAB | NAO | 179.6° | 179.8° |
| CAA | CAB | NAO | CAP | 7.9° | 0.1° |
| CAA | CAB | NAO | H17 | 172.0° | 180.0° |
| CAB | NAO | CAP | H17 | 180.0° | 179.9° |
| CAB | NAO | CAP | CAR | 178.9° | 179.9° |
| CAB | NAO | CAP | OAQ | 0.6° | 0.0° |
| NAO | CAB | CAA | H1 | 0.4° | 0.1° |
| NAO | CAP | CAR | OAQ | 179.6° | 180.0° |
| NAO | CAP | CAR | CAW | 120.2° | 89.7° |
| NAO | CAP | CAR | CAS | 58.0° | 90.0° |
| CLAY | CAW | CAR | CAP | 1.5° | 0.1° |
| CLAY | CAW | CAR | CAV | 179.3° | 179.7° |
| CLAY | CAW | CAR | CAS | 179.6° | 179.7° |
| CLAY | CAW | CAV | CAU | 179.7° | 179.7° |
| CLAY | CAW | CAV | H11 | 0.3° | 0.0° |
| CAP | CAR | CAW | CAS | 178.2° | 179.6° |
| CAP | CAR | CAW | CAV | 179.2° | 179.7° |
| CAP | CAR | CAS | CLAX | 1.3° | 0.1° |
| CAP | CAR | CAS | CAT | 179.4° | 180.0° |
| CAR | CAP | NAO | H17 | 1.1° | 0.0° |
| OAQ | CAP | CAR | CAW | 59.4° | 90.4° |
| OAQ | CAP | CAR | CAS | 122.4° | 90.0° |
| OAQ | CAP | NAO | H17 | 179.3° | 179.9° |
| CAR | CAW | CAV | CAU | 0.4° | 0.6° |
| CAW | CAR | CAS | CLAX | 179.5° | 179.7° |
| CAW | CAR | CAS | CAT | 1.2° | 0.3° |
| CAR | CAW | CAV | H11 | 179.6° | 179.7° |
| CAV | CAW | CAR | CAS | 1.1° | 0.6° |
| CAW | CAV | CAU | H11 | 180.0° | 179.7° |
| CAW | CAV | CAU | CAT | 0.2° | 0.3° |
| CAW | CAV | CAU | H10 | 179.8° | 179.7° |
| CAR | CAS | CLAX | CAT | 179.3° | 180.0° |
| CAR | CAS | CAT | CAU | 0.6° | 0.0° |
| CAR | CAS | CAT | H9 | 179.4° | 180.0° |
| CAV | CAU | CAT | CAS | 0.1° | 0.0° |
| CAV | CAU | CAT | H10 | 180.0° | 180.0° |
| CAV | CAU | CAT | H9 | 179.9° | 180.0° |
| CLAX | CAS | CAT | CAU | 179.9° | 180.0° |
| CLAX | CAS | CAT | H9 | 0.1° | 0.0° |
| CAS | CAT | CAU | H9 | 180.0° | 180.0° |
| CAS | CAT | CAU | H10 | 179.9° | 180.0° |
| CAT | CAU | CAV | H11 | 179.8° | 180.0° |
| H2 | CAI | CAJ | H3 | 50.6° | 177.8° |
| H2 | CAI | CAJ | H4 | 168.1° | 57.7° |
| H2 | CAI | CAN | H8 | 163.2° | 57.7° |
| H2 | CAI | NAH | H15 | 55.5° | 145.1° |
| H2 | CAI | CAN | H19 | 45.9° | 177.8° |
| H3 | CAJ | CAK | H5 | 16.9° | 59.2° |
| H3 | CAJ | CAK | H6 | 100.6° | 179.2° |
| H4 | CAJ | CAK | H5 | 134.4° | 60.8° |
| H4 | CAJ | CAK | H6 | 16.9° | 59.2° |
| H5 | CAK | NAL | H16 | 96.4° | 57.6° |
| H6 | CAK | NAL | H16 | 21.1° | 177.7° |
| H7 | CAM | CAN | H8 | 6.9° | 59.1° |
| H7 | CAM | NAL | H16 | 25.9° | 177.7° |
| H7 | CAM | CAN | H19 | 110.4° | 179.2° |
| H8 | CAN | CAM | H18 | 124.5° | 60.9° |
| H9 | CAT | CAU | H10 | 0.1° | 0.0° |
| H10 | CAU | CAV | H11 | 0.2° | 0.0° |
| H12 | CBD | CBE | H13 | 0.1° | 0.0° |
| H13 | CBE | CBF | H14 | 0.3° | 0.1° |
| H16 | NAL | CAM | H18 | 91.6° | 57.6° |
| H18 | CAM | CAN | H19 | 7.2° | 59.2° |
