EFN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | OAY | sing | 1.43Å | 1.44Å | |
| BR | CAW | sing | 1.89Å | 1.88Å | |
| CAW | CAX | doub | 1.38Å | 1.36Å | Aromatic |
| CAT | OAY | sing | 1.36Å | 1.36Å | |
| CAT | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAX | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAS | SAP | sing | 1.76Å | 1.74Å | |
| OAN | CAB | sing | 1.36Å | 1.40Å | |
| OAR | SAP | doub | 1.42Å | 1.50Å | |
| SAP | NAO | sing | 1.66Å | 1.66Å | |
| SAP | OAQ | doub | 1.42Å | 1.46Å | |
| CAB | CAA | doub | 1.39Å | 1.41Å | Aromatic |
| CAB | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| NAO | CAC | sing | 1.40Å | 1.36Å | |
| CAC | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | NAJ | sing | 1.40Å | 1.42Å | |
| CAF | CAE | doub | 1.39Å | 1.37Å | Aromatic |
| NAJ | CAI | sing | 1.35Å | 1.36Å | |
| CAD | CAE | sing | 1.38Å | 1.36Å | Aromatic |
| CAE | OAG | sing | 1.36Å | 1.40Å | |
| OAG | CAH | sing | 1.43Å | 1.45Å | |
| CAI | OAK | doub | 1.21Å | 1.23Å | |
| CAI | CAH | sing | 1.51Å | 1.47Å | |
| CAH | CAM | sing | 1.53Å | 1.53Å | |
| CAH | CAL | sing | 1.53Å | 1.51Å | |
| CAZ | H1 | sing | 1.09Å | 1.10Å | |
| CAZ | H2 | sing | 1.09Å | 1.10Å | |
| CAZ | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H5 | sing | 1.08Å | 1.08Å | |
| CAX | H6 | sing | 1.08Å | 1.08Å | |
| NAO | H7 | sing | 0.97Å | 1.00Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| NAJ | H15 | sing | 0.97Å | 1.00Å | |
| CAA | H16 | sing | 1.08Å | 1.08Å | |
| OAN | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAV | CAW | 119.7° | 120.0° |
| CAV | CAU | CAT | 119.1° | 119.9° |
| CAV | CAU | H4 | 120.5° | 120.0° |
| CAU | CAV | H5 | 120.2° | 119.9° |
| CAV | CAW | BR | 120.2° | 119.9° |
| CAV | CAW | CAX | 121.3° | 120.1° |
| CAW | CAV | H5 | 120.1° | 120.0° |
| CAU | CAT | OAY | 125.5° | 120.0° |
| CAU | CAT | CAS | 120.9° | 119.9° |
| CAT | CAU | H4 | 120.4° | 120.0° |
| CAZ | OAY | CAT | 116.1° | 117.0° |
| OAY | CAZ | H1 | 109.5° | 109.5° |
| OAY | CAZ | H2 | 109.5° | 109.5° |
| OAY | CAZ | H3 | 109.5° | 109.5° |
| BR | CAW | CAX | 118.5° | 120.0° |
| CAW | CAX | CAS | 120.2° | 120.0° |
| CAW | CAX | H6 | 119.9° | 120.0° |
| OAY | CAT | CAS | 113.4° | 120.1° |
| CAT | CAS | CAX | 118.6° | 120.0° |
| CAT | CAS | SAP | 122.6° | 120.0° |
| CAX | CAS | SAP | 118.6° | 120.0° |
| CAS | CAX | H6 | 119.9° | 120.0° |
| CAS | SAP | OAR | 109.8° | 106.4° |
| CAS | SAP | NAO | 103.6° | 107.2° |
| CAS | SAP | OAQ | 107.0° | 106.4° |
| OAN | CAB | CAA | 119.9° | 120.0° |
| OAN | CAB | CAC | 116.2° | 119.9° |
| CAB | OAN | H17 | 109.5° | 114.0° |
| OAR | SAP | NAO | 108.9° | 106.4° |
| OAR | SAP | OAQ | 116.0° | 123.1° |
| NAO | SAP | OAQ | 110.8° | 106.4° |
| SAP | NAO | CAC | 119.2° | 120.0° |
| SAP | NAO | H7 | 107.0° | 120.0° |
| CAA | CAB | CAC | 123.8° | 120.1° |
| CAB | CAA | CAF | 116.4° | 119.9° |
| CAB | CAA | H16 | 121.8° | 120.1° |
| CAB | CAC | NAO | 118.4° | 120.0° |
| CAB | CAC | CAD | 117.6° | 120.0° |
| CAA | CAF | NAJ | 119.8° | 120.6° |
| CAA | CAF | CAE | 119.0° | 120.1° |
| CAF | CAA | H16 | 121.8° | 120.1° |
| NAO | CAC | CAD | 123.9° | 120.0° |
| CAC | NAO | H7 | 107.0° | 120.0° |
| CAC | CAD | CAE | 118.0° | 119.9° |
| CAC | CAD | H8 | 121.0° | 120.1° |
| NAJ | CAF | CAE | 121.2° | 119.3° |
| CAF | NAJ | CAI | 117.5° | 119.0° |
| CAF | NAJ | H15 | 121.3° | 120.5° |
| CAF | CAE | CAD | 125.3° | 120.0° |
| CAF | CAE | OAG | 116.7° | 119.4° |
| NAJ | CAI | OAK | 117.6° | 120.1° |
| NAJ | CAI | CAH | 119.2° | 119.7° |
| CAI | NAJ | H15 | 121.2° | 120.5° |
| CAD | CAE | OAG | 118.0° | 120.6° |
| CAE | CAD | H8 | 121.0° | 120.0° |
| CAE | OAG | CAH | 114.1° | 116.8° |
| OAG | CAH | CAI | 110.1° | 109.6° |
| OAG | CAH | CAM | 104.1° | 109.5° |
| OAG | CAH | CAL | 107.4° | 109.5° |
| OAK | CAI | CAH | 123.0° | 120.1° |
| CAI | CAH | CAM | 111.4° | 109.4° |
| CAI | CAH | CAL | 112.1° | 109.4° |
| CAM | CAH | CAL | 111.3° | 109.5° |
| CAH | CAM | H12 | 109.5° | 109.4° |
| CAH | CAM | H13 | 109.5° | 109.5° |
| CAH | CAM | H14 | 109.4° | 109.5° |
| CAH | CAL | H9 | 109.5° | 109.5° |
| CAH | CAL | H10 | 109.5° | 109.5° |
| CAH | CAL | H11 | 109.5° | 109.4° |
| H1 | CAZ | H2 | 109.4° | 109.5° |
| H1 | CAZ | H3 | 109.5° | 109.5° |
| H2 | CAZ | H3 | 109.5° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.5° |
| H9 | CAL | H11 | 109.4° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.5° |
| H12 | CAM | H14 | 109.5° | 109.5° |
| H13 | CAM | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAV | CAW | H5 | 180.0° | 180.0° |
| CAV | CAU | CAT | H4 | 180.0° | 179.9° |
| CAU | CAV | CAW | BR | 179.5° | 180.0° |
| CAU | CAV | CAW | CAX | 1.0° | 0.0° |
| CAV | CAU | CAT | OAY | 178.8° | 180.0° |
| CAV | CAU | CAT | CAS | 4.8° | 0.3° |
| CAW | CAV | CAU | CAT | 0.9° | 0.0° |
| CAV | CAW | BR | CAX | 178.5° | 180.0° |
| CAV | CAW | CAX | CAS | 0.9° | 0.2° |
| CAW | CAV | CAU | H4 | 179.1° | 180.0° |
| CAV | CAW | CAX | H6 | 179.1° | 180.0° |
| CAU | CAT | OAY | CAZ | 3.4° | 0.3° |
| CAU | CAT | OAY | CAS | 174.4° | 179.7° |
| CAU | CAT | CAS | CAX | 6.7° | 0.5° |
| CAU | CAT | CAS | SAP | 178.2° | 179.7° |
| CAT | CAU | CAV | H5 | 179.1° | 179.9° |
| CAZ | OAY | CAT | CAS | 177.8° | 180.0° |
| OAY | CAZ | H1 | H2 | 120.0° | 120.0° |
| OAY | CAZ | H1 | H3 | 120.0° | 120.0° |
| OAY | CAZ | H2 | H3 | 120.0° | 120.0° |
| BR | CAW | CAX | CAS | 177.6° | 179.8° |
| BR | CAW | CAV | H5 | 0.5° | 0.0° |
| BR | CAW | CAX | H6 | 2.5° | 0.0° |
| CAW | CAX | CAS | CAT | 4.7° | 0.5° |
| CAW | CAX | CAS | H6 | 180.0° | 179.8° |
| CAW | CAX | CAS | SAP | 180.0° | 179.7° |
| CAX | CAW | CAV | H5 | 179.0° | 180.0° |
| OAY | CAT | CAS | CAX | 178.6° | 179.8° |
| OAY | CAT | CAS | SAP | 3.5° | 0.0° |
| CAT | OAY | CAZ | H1 | 180.0° | 180.0° |
| CAT | OAY | CAZ | H2 | 60.0° | 60.0° |
| CAT | OAY | CAZ | H3 | 60.0° | 60.0° |
| OAY | CAT | CAU | H4 | 1.2° | 0.1° |
| CAT | CAS | CAX | SAP | 175.4° | 179.8° |
| CAT | CAS | SAP | OAR | 54.4° | 177.6° |
| CAT | CAS | SAP | NAO | 61.8° | 64.1° |
| CAT | CAS | SAP | OAQ | 178.9° | 49.5° |
| CAS | CAT | CAU | H4 | 175.2° | 179.8° |
| CAT | CAS | CAX | H6 | 175.3° | 179.7° |
| CAX | CAS | SAP | OAR | 130.5° | 2.6° |
| CAX | CAS | SAP | NAO | 113.3° | 116.1° |
| CAX | CAS | SAP | OAQ | 3.8° | 130.3° |
| CAS | SAP | OAR | NAO | 112.8° | 114.1° |
| CAS | SAP | OAR | OAQ | 121.4° | 123.0° |
| CAS | SAP | NAO | OAQ | 114.4° | 113.6° |
| CAS | SAP | NAO | CAC | 62.8° | 67.4° |
| SAP | CAS | CAX | H6 | 0.1° | 0.1° |
| CAS | SAP | NAO | H7 | 175.8° | 112.7° |
| OAN | CAB | CAA | CAC | 179.3° | 179.4° |
| OAN | CAB | CAA | CAF | 179.6° | 180.0° |
| OAN | CAB | CAC | NAO | 3.2° | 0.3° |
| OAN | CAB | CAC | CAD | 179.9° | 180.0° |
| OAN | CAB | CAA | H16 | 0.5° | 0.3° |
| OAR | SAP | NAO | OAQ | 128.7° | 132.9° |
| OAR | SAP | NAO | CAC | 179.6° | 46.2° |
| OAR | SAP | NAO | H7 | 59.0° | 133.8° |
| SAP | NAO | CAC | CAB | 128.2° | 148.1° |
| SAP | NAO | CAC | H7 | 121.4° | 180.0° |
| SAP | NAO | CAC | CAD | 55.0° | 32.2° |
| OAQ | SAP | NAO | CAC | 51.6° | 179.1° |
| OAQ | SAP | NAO | H7 | 69.7° | 0.9° |
| CAB | CAA | CAF | H16 | 180.0° | 179.7° |
| CAA | CAB | CAC | NAO | 176.1° | 179.7° |
| CAA | CAB | CAC | CAD | 0.8° | 0.6° |
| CAB | CAA | CAF | NAJ | 178.9° | 179.8° |
| CAB | CAA | CAF | CAE | 0.8° | 0.2° |
| CAA | CAB | OAN | H17 | 180.0° | 90.0° |
| CAC | CAB | CAA | CAF | 0.3° | 0.5° |
| CAB | CAC | NAO | CAD | 176.7° | 179.7° |
| CAB | CAC | CAD | CAE | 0.2° | 0.3° |
| CAB | CAC | NAO | H7 | 110.4° | 31.9° |
| CAB | CAC | CAD | H8 | 179.8° | 179.7° |
| CAC | CAB | CAA | H16 | 179.8° | 179.7° |
| CAC | CAB | OAN | H17 | 0.7° | 90.5° |
| CAA | CAF | NAJ | CAE | 179.8° | 180.0° |
| CAA | CAF | NAJ | CAI | 161.3° | 164.5° |
| CAA | CAF | CAE | CAD | 1.5° | 0.1° |
| CAA | CAF | CAE | OAG | 177.4° | 179.9° |
| CAA | CAF | NAJ | H15 | 18.7° | 15.5° |
| NAO | CAC | CAD | CAE | 176.6° | 180.0° |
| NAO | CAC | CAD | H8 | 3.4° | 0.1° |
| CAC | CAD | CAE | CAF | 1.0° | 0.1° |
| CAC | CAD | CAE | H8 | 180.0° | 180.0° |
| CAC | CAD | CAE | OAG | 177.9° | 180.0° |
| CAD | CAC | NAO | H7 | 66.3° | 147.8° |
| CAF | NAJ | CAI | H15 | 180.0° | 179.9° |
| NAJ | CAF | CAE | CAD | 178.2° | 180.0° |
| NAJ | CAF | CAE | OAG | 2.8° | 0.0° |
| CAF | NAJ | CAI | OAK | 178.6° | 178.3° |
| CAF | NAJ | CAI | CAH | 2.1° | 1.7° |
| NAJ | CAF | CAA | H16 | 1.1° | 0.0° |
| CAE | CAF | NAJ | CAI | 18.5° | 15.5° |
| CAF | CAE | CAD | OAG | 178.9° | 180.0° |
| CAF | CAE | OAG | CAH | 39.4° | 32.9° |
| CAF | CAE | CAD | H8 | 179.0° | 179.9° |
| CAE | CAF | NAJ | H15 | 161.6° | 164.5° |
| CAE | CAF | CAA | H16 | 179.1° | 179.9° |
| NAJ | CAI | CAH | OAG | 32.0° | 31.4° |
| NAJ | CAI | OAK | CAH | 176.4° | 180.0° |
| NAJ | CAI | CAH | CAM | 147.0° | 151.4° |
| NAJ | CAI | CAH | CAL | 87.5° | 88.7° |
| CAD | CAE | OAG | CAH | 141.6° | 147.1° |
| CAE | OAG | CAH | CAI | 52.8° | 46.5° |
| CAE | OAG | CAH | CAM | 172.4° | 166.5° |
| CAE | OAG | CAH | CAL | 69.5° | 73.4° |
| OAG | CAE | CAD | H8 | 2.1° | 0.1° |
| OAG | CAH | CAI | OAK | 144.3° | 148.7° |
| OAG | CAH | CAI | CAM | 115.0° | 120.0° |
| OAG | CAH | CAI | CAL | 119.5° | 120.0° |
| OAG | CAH | CAM | CAL | 115.4° | 120.0° |
| OAG | CAH | CAL | H9 | 180.0° | 59.9° |
| OAG | CAH | CAL | H10 | 60.0° | 179.9° |
| OAG | CAH | CAL | H11 | 60.0° | 60.1° |
| OAG | CAH | CAM | H12 | 180.0° | 60.0° |
| OAG | CAH | CAM | H13 | 60.0° | 180.0° |
| OAG | CAH | CAM | H14 | 60.0° | 59.9° |
| OAK | CAI | CAH | CAM | 29.4° | 28.7° |
| OAK | CAI | CAH | CAL | 96.2° | 91.3° |
| OAK | CAI | NAJ | H15 | 1.4° | 1.6° |
| CAI | CAH | CAM | CAL | 126.0° | 119.9° |
| CAI | CAH | CAL | H9 | 58.9° | 60.2° |
| CAI | CAH | CAL | H10 | 179.0° | 59.8° |
| CAI | CAH | CAL | H11 | 61.0° | 179.8° |
| CAI | CAH | CAM | H12 | 61.4° | 179.9° |
| CAI | CAH | CAM | H13 | 58.6° | 59.9° |
| CAI | CAH | CAM | H14 | 178.6° | 60.2° |
| CAH | CAI | NAJ | H15 | 178.0° | 178.3° |
| CAM | CAH | CAL | H9 | 66.7° | 179.9° |
| CAM | CAH | CAL | H10 | 53.4° | 60.1° |
| CAM | CAH | CAL | H11 | 173.3° | 59.9° |
| CAH | CAM | H12 | H13 | 120.0° | 120.0° |
| CAH | CAM | H12 | H14 | 120.0° | 120.0° |
| CAH | CAM | H13 | H14 | 120.0° | 120.0° |
| CAH | CAL | H9 | H10 | 120.0° | 120.0° |
| CAH | CAL | H9 | H11 | 120.0° | 120.0° |
| CAH | CAL | H10 | H11 | 120.0° | 119.9° |
| CAL | CAH | CAM | H12 | 64.6° | 60.0° |
| CAL | CAH | CAM | H13 | 175.4° | 60.0° |
| CAL | CAH | CAM | H14 | 55.4° | 180.0° |
| H1 | CAZ | H2 | H3 | 120.0° | 120.0° |
| H4 | CAU | CAV | H5 | 0.9° | 0.0° |
| H9 | CAL | H10 | H11 | 120.0° | 120.0° |
| H12 | CAM | H13 | H14 | 120.0° | 120.0° |
