BL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAI | sing | 1.53Å | 1.52Å | |
| CAF | CAI | sing | 1.54Å | 1.54Å | |
| CAF | CAB | sing | 1.51Å | 1.51Å | |
| CAI | NAT | sing | 1.46Å | 1.47Å | |
| CAB | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.37Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| NAT | CAA | sing | 1.40Å | 1.40Å | |
| NAT | NAR | sing | 1.40Å | 1.42Å | |
| CAA | CAD | doub | 1.40Å | 1.40Å | Aromatic |
| NAR | CAK | sing | 1.35Å | 1.35Å | |
| CAG | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| OAU | CAK | doub | 1.22Å | 1.23Å | |
| CAK | CAL | sing | 1.48Å | 1.53Å | |
| CAL | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| CAN | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAC | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | SAX | sing | 1.76Å | 1.65Å | |
| CAJ | CLAQ | sing | 1.74Å | 1.77Å | |
| NAS | SAX | sing | 1.66Å | 1.44Å | |
| SAX | OAW | doub | 1.42Å | 1.43Å | |
| SAX | OAV | doub | 1.42Å | 1.59Å | |
| NAS | H1AS | sing | 0.97Å | 1.00Å | |
| NAS | H2AS | sing | 0.97Å | 1.00Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAP | H1AP | sing | 1.09Å | 1.10Å | |
| CAP | H2AP | sing | 1.09Å | 1.10Å | |
| CAP | H3AP | sing | 1.09Å | 1.10Å | |
| CAF | H1AF | sing | 1.09Å | 1.10Å | |
| CAF | H2AF | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAI | CAF | 109.8° | 110.4° |
| CAP | CAI | NAT | 111.2° | 110.3° |
| CAP | CAI | HAI | 106.5° | 110.2° |
| CAI | CAP | H1AP | 109.5° | 109.4° |
| CAI | CAP | H2AP | 109.5° | 109.5° |
| CAI | CAP | H3AP | 109.4° | 109.5° |
| CAI | CAF | CAB | 103.5° | 104.6° |
| CAF | CAI | NAT | 104.1° | 105.2° |
| CAF | CAI | HAI | 113.4° | 110.3° |
| CAI | CAF | H1AF | 111.5° | 110.5° |
| CAI | CAF | H2AF | 112.8° | 110.4° |
| CAF | CAB | CAE | 126.8° | 131.0° |
| CAF | CAB | CAA | 111.1° | 108.5° |
| CAB | CAF | H1AF | 111.5° | 110.2° |
| CAB | CAF | H2AF | 112.8° | 110.6° |
| CAI | NAT | CAA | 112.1° | 110.1° |
| CAI | NAT | NAR | 118.9° | 125.0° |
| NAT | CAI | HAI | 112.0° | 110.3° |
| CAE | CAB | CAA | 122.1° | 120.5° |
| CAB | CAE | CAG | 117.1° | 120.2° |
| CAB | CAE | HAE | 121.4° | 119.9° |
| CAB | CAA | NAT | 109.1° | 111.7° |
| CAB | CAA | CAD | 121.2° | 119.0° |
| CAE | CAG | CAH | 121.3° | 119.8° |
| CAE | CAG | HAG | 119.3° | 120.1° |
| CAG | CAE | HAE | 121.4° | 119.9° |
| CAA | NAT | NAR | 128.9° | 125.0° |
| NAT | CAA | CAD | 129.8° | 129.3° |
| NAT | NAR | CAK | 141.5° | 120.0° |
| NAT | NAR | HNAR | 109.2° | 120.0° |
| CAA | CAD | CAH | 118.4° | 120.3° |
| CAA | CAD | HAD | 120.8° | 119.9° |
| NAR | CAK | OAU | 110.2° | 120.0° |
| NAR | CAK | CAL | 134.4° | 120.0° |
| CAK | NAR | HNAR | 109.2° | 120.0° |
| CAG | CAH | CAD | 119.8° | 120.2° |
| CAG | CAH | HAH | 120.1° | 119.9° |
| CAH | CAG | HAG | 119.3° | 120.1° |
| CAH | CAD | HAD | 120.8° | 119.9° |
| CAD | CAH | HAH | 120.1° | 119.9° |
| OAU | CAK | CAL | 115.4° | 120.0° |
| CAK | CAL | CAN | 123.8° | 120.1° |
| CAK | CAL | CAM | 118.9° | 120.2° |
| CAN | CAL | CAM | 117.2° | 119.7° |
| CAL | CAN | CAC | 119.3° | 119.8° |
| CAL | CAN | HAN | 120.4° | 120.1° |
| CAL | CAM | CAO | 125.0° | 119.9° |
| CAL | CAM | HAM | 117.5° | 120.0° |
| CAN | CAC | CAJ | 121.6° | 120.2° |
| CAN | CAC | HAC | 119.2° | 119.9° |
| CAC | CAN | HAN | 120.3° | 120.1° |
| CAM | CAO | CAJ | 114.9° | 120.1° |
| CAM | CAO | SAX | 123.1° | 119.9° |
| CAO | CAM | HAM | 117.5° | 120.1° |
| CAC | CAJ | CAO | 122.0° | 120.3° |
| CAC | CAJ | CLAQ | 120.1° | 119.9° |
| CAJ | CAC | HAC | 119.2° | 119.9° |
| CAJ | CAO | SAX | 122.1° | 120.0° |
| CAO | CAJ | CLAQ | 117.9° | 119.8° |
| CAO | SAX | NAS | 105.7° | 107.2° |
| CAO | SAX | OAW | 110.5° | 106.4° |
| CAO | SAX | OAV | 117.5° | 106.4° |
| NAS | SAX | OAW | 108.0° | 106.4° |
| NAS | SAX | OAV | 109.8° | 106.4° |
| SAX | NAS | H1AS | 109.5° | 120.0° |
| SAX | NAS | H2AS | 109.4° | 120.0° |
| OAW | SAX | OAV | 105.0° | 123.2° |
| H1AS | NAS | H2AS | 109.5° | 120.0° |
| H1AP | CAP | H2AP | 109.5° | 109.5° |
| H1AP | CAP | H3AP | 109.5° | 109.5° |
| H2AP | CAP | H3AP | 109.5° | 109.5° |
| H1AF | CAF | H2AF | 104.9° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAI | CAF | NAT | 119.1° | 119.0° |
| CAP | CAI | CAF | HAI | 118.9° | 122.1° |
| CAP | CAI | CAF | CAB | 115.8° | 119.2° |
| CAP | CAI | NAT | HAI | 119.0° | 122.0° |
| CAP | CAI | NAT | CAA | 114.6° | 119.0° |
| CAP | CAI | NAT | NAR | 62.8° | 60.6° |
| CAI | CAP | H1AP | H2AP | 120.0° | 120.0° |
| CAI | CAP | H1AP | H3AP | 120.0° | 120.0° |
| CAI | CAP | H2AP | H3AP | 120.0° | 120.0° |
| CAP | CAI | CAF | H1AF | 124.1° | 122.2° |
| CAP | CAI | CAF | H2AF | 6.4° | 0.2° |
| CAI | CAF | CAB | H1AF | 120.0° | 118.8° |
| CAI | CAF | CAB | H2AF | 122.2° | 118.9° |
| CAF | CAI | NAT | HAI | 122.8° | 118.9° |
| CAI | CAF | CAB | CAE | 177.8° | 179.9° |
| CAI | CAF | CAB | CAA | 2.2° | 0.4° |
| CAF | CAI | NAT | CAA | 3.5° | 0.0° |
| CAF | CAI | NAT | NAR | 179.1° | 179.7° |
| CAF | CAI | CAP | H1AP | 7.8° | 57.3° |
| CAF | CAI | CAP | H2AP | 112.2° | 62.7° |
| CAF | CAI | CAP | H3AP | 127.8° | 177.3° |
| CAI | CAF | H1AF | H2AF | 122.4° | 122.4° |
| CAB | CAF | CAI | NAT | 3.3° | 0.2° |
| CAF | CAB | CAE | CAA | 180.0° | 179.5° |
| CAF | CAB | CAE | CAG | 179.4° | 179.4° |
| CAF | CAB | CAA | NAT | 0.1° | 0.4° |
| CAF | CAB | CAA | CAD | 179.3° | 179.6° |
| CAB | CAF | CAI | HAI | 125.2° | 118.7° |
| CAB | CAF | H1AF | H2AF | 122.4° | 122.5° |
| CAF | CAB | CAE | HAE | 0.6° | 0.5° |
| CAI | NAT | CAA | CAB | 2.2° | 0.3° |
| CAI | NAT | CAA | NAR | 177.1° | 179.7° |
| CAI | NAT | CAA | CAD | 176.8° | 179.7° |
| CAI | NAT | NAR | CAK | 140.2° | 104.7° |
| CAI | NAT | NAR | HNAR | 39.8° | 75.3° |
| NAT | CAI | CAP | H1AP | 106.8° | 58.5° |
| NAT | CAI | CAP | H2AP | 133.2° | 178.5° |
| NAT | CAI | CAP | H3AP | 13.2° | 61.4° |
| NAT | CAI | CAF | H1AF | 116.7° | 118.8° |
| NAT | CAI | CAF | H2AF | 125.5° | 118.8° |
| CAB | CAE | CAG | HAE | 180.0° | 179.9° |
| CAE | CAB | CAA | NAT | 179.9° | 180.0° |
| CAE | CAB | CAA | CAD | 0.7° | 0.0° |
| CAB | CAE | CAG | CAH | 0.3° | 0.1° |
| CAE | CAB | CAF | H1AF | 62.2° | 61.3° |
| CAE | CAB | CAF | H2AF | 55.6° | 61.0° |
| CAB | CAE | CAG | HAG | 179.7° | 180.0° |
| CAA | CAB | CAE | CAG | 0.6° | 0.1° |
| CAB | CAA | NAT | CAD | 179.0° | 180.0° |
| CAB | CAA | NAT | NAR | 179.3° | 180.0° |
| CAB | CAA | CAD | CAH | 0.5° | 0.0° |
| CAA | CAB | CAF | H1AF | 117.8° | 119.1° |
| CAA | CAB | CAF | H2AF | 124.4° | 118.5° |
| CAB | CAA | CAD | HAD | 179.5° | 180.0° |
| CAA | CAB | CAE | HAE | 179.4° | 180.0° |
| CAE | CAG | CAH | HAG | 180.0° | 179.9° |
| CAE | CAG | CAH | CAD | 0.1° | 0.1° |
| CAE | CAG | CAH | HAH | 179.9° | 180.0° |
| CAA | NAT | NAR | CAK | 42.9° | 74.9° |
| NAT | CAA | CAD | CAH | 179.5° | 180.0° |
| CAA | NAT | NAR | HNAR | 137.1° | 105.0° |
| CAA | NAT | CAI | HAI | 126.4° | 118.9° |
| NAT | CAA | CAD | HAD | 0.6° | 0.0° |
| NAR | NAT | CAA | CAD | 0.3° | 0.0° |
| NAT | NAR | CAK | HNAR | 180.0° | 180.0° |
| NAT | NAR | CAK | OAU | 179.6° | 0.0° |
| NAT | NAR | CAK | CAL | 4.6° | 180.0° |
| NAR | NAT | CAI | HAI | 56.2° | 61.4° |
| CAA | CAD | CAH | CAG | 0.2° | 0.0° |
| CAA | CAD | CAH | HAD | 180.0° | 180.0° |
| CAA | CAD | CAH | HAH | 179.8° | 180.0° |
| NAR | CAK | OAU | CAL | 176.7° | 180.0° |
| NAR | CAK | CAL | CAN | 16.9° | 0.0° |
| NAR | CAK | CAL | CAM | 167.1° | 179.2° |
| CAG | CAH | CAD | HAH | 180.0° | 179.9° |
| CAG | CAH | CAD | HAD | 179.8° | 180.0° |
| CAH | CAG | CAE | HAE | 179.7° | 179.9° |
| CAD | CAH | CAG | HAG | 179.9° | 180.0° |
| OAU | CAK | CAL | CAN | 158.7° | 180.0° |
| OAU | CAK | CAL | CAM | 17.3° | 0.9° |
| OAU | CAK | NAR | HNAR | 0.4° | 180.0° |
| CAK | CAL | CAN | CAM | 176.1° | 179.1° |
| CAK | CAL | CAN | CAC | 177.0° | 179.9° |
| CAK | CAL | CAM | CAO | 178.3° | 179.7° |
| CAK | CAL | CAM | HAM | 1.7° | 0.3° |
| CAK | CAL | CAN | HAN | 3.0° | 0.6° |
| CAL | CAK | NAR | HNAR | 175.4° | 0.0° |
| CAL | CAN | CAC | HAN | 180.0° | 179.5° |
| CAN | CAL | CAM | CAO | 2.1° | 0.6° |
| CAL | CAN | CAC | CAJ | 0.6° | 0.5° |
| CAN | CAL | CAM | HAM | 177.9° | 179.4° |
| CAL | CAN | CAC | HAC | 179.4° | 179.4° |
| CAM | CAL | CAN | CAC | 1.0° | 0.8° |
| CAL | CAM | CAO | HAM | 180.0° | 180.0° |
| CAL | CAM | CAO | CAJ | 1.4° | 0.1° |
| CAL | CAM | CAO | SAX | 179.4° | 179.7° |
| CAM | CAL | CAN | HAN | 179.0° | 179.7° |
| CAN | CAC | CAJ | HAC | 180.0° | 180.0° |
| CAN | CAC | CAJ | CAO | 1.3° | 0.0° |
| CAN | CAC | CAJ | CLAQ | 180.0° | 180.0° |
| CAM | CAO | CAJ | CAC | 0.3° | 0.2° |
| CAM | CAO | CAJ | SAX | 179.2° | 179.8° |
| CAM | CAO | CAJ | CLAQ | 179.1° | 179.8° |
| CAM | CAO | SAX | NAS | 12.6° | 115.3° |
| CAM | CAO | SAX | OAW | 104.0° | 131.2° |
| CAM | CAO | SAX | OAV | 135.5° | 1.7° |
| CAC | CAJ | CAO | CLAQ | 178.8° | 180.0° |
| CAC | CAJ | CAO | SAX | 178.9° | 180.0° |
| CAJ | CAC | CAN | HAN | 179.4° | 180.0° |
| CAJ | CAO | SAX | NAS | 168.3° | 65.0° |
| CAJ | CAO | SAX | OAW | 75.1° | 48.6° |
| CAJ | CAO | SAX | OAV | 45.4° | 178.5° |
| CAJ | CAO | CAM | HAM | 178.6° | 179.9° |
| CAO | CAJ | CAC | HAC | 178.7° | 180.0° |
| SAX | CAO | CAJ | CLAQ | 0.1° | 0.0° |
| CAO | SAX | NAS | OAW | 118.3° | 113.5° |
| CAO | SAX | NAS | OAV | 127.7° | 113.5° |
| CAO | SAX | OAW | OAV | 127.6° | 123.0° |
| CAO | SAX | NAS | H1AS | 21.8° | 180.0° |
| CAO | SAX | NAS | H2AS | 98.3° | 0.0° |
| SAX | CAO | CAM | HAM | 0.6° | 0.3° |
| CLAQ | CAJ | CAC | HAC | 0.1° | 0.0° |
| NAS | SAX | OAW | OAV | 117.2° | 122.9° |
| SAX | NAS | H1AS | H2AS | 120.0° | 180.0° |
| OAW | SAX | NAS | H1AS | 96.6° | 66.5° |
| OAW | SAX | NAS | H2AS | 143.4° | 113.5° |
| OAV | SAX | NAS | H1AS | 149.4° | 66.4° |
| OAV | SAX | NAS | H2AS | 29.4° | 113.5° |
| HAC | CAC | CAN | HAN | 0.6° | 0.0° |
| HAI | CAI | CAP | H1AP | 130.9° | 179.4° |
| HAI | CAI | CAP | H2AP | 10.9° | 59.4° |
| HAI | CAI | CAP | H3AP | 109.1° | 60.6° |
| HAI | CAI | CAF | H1AF | 5.2° | 0.1° |
| HAI | CAI | CAF | H2AF | 112.6° | 122.3° |
| H1AP | CAP | H2AP | H3AP | 120.0° | 120.0° |
| HAD | CAD | CAH | HAH | 0.2° | 0.1° |
| HAH | CAH | CAG | HAG | 0.1° | 0.1° |
| HAG | CAG | CAE | HAE | 0.3° | 0.1° |
