6EQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAX | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAY | sing | 1.48Å | 1.42Å | |
| CAM | CAN | doub | 1.37Å | 1.40Å | Aromatic |
| CAM | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| OAC | CAS | doub | 1.22Å | 1.25Å | |
| NAR | CAV | sing | 1.39Å | 1.39Å | |
| NAR | CAT | sing | 1.35Å | 1.38Å | |
| CAY | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| NAQ | CAU | sing | 1.40Å | 1.39Å | |
| NAQ | CAT | sing | 1.35Å | 1.37Å | |
| CAV | CAO | doub | 1.39Å | 1.42Å | Aromatic |
| CAZ | CAS | sing | 1.47Å | 1.42Å | |
| CAZ | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAT | OAB | doub | 1.22Å | 1.23Å | |
| CAS | OAA | sing | 1.35Å | 1.26Å | |
| CAL | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | OAD | sing | 1.36Å | 1.38Å | |
| CAI | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| OAD | H2 | sing | 0.97Å | 0.95Å | |
| OAA | H3 | sing | 0.97Å | 0.95Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| NAR | H6 | sing | 0.97Å | 1.00Å | |
| NAQ | H7 | sing | 0.97Å | 1.00Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAE | H14 | sing | 1.08Å | 1.08Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | CAJ | 119.3° | 120.1° |
| CAF | CAE | CAG | 117.5° | 120.2° |
| CAE | CAF | H13 | 120.3° | 119.9° |
| CAF | CAE | H14 | 121.2° | 119.9° |
| CAF | CAJ | CAX | 124.4° | 119.9° |
| CAF | CAJ | H12 | 117.8° | 120.1° |
| CAJ | CAF | H13 | 120.4° | 120.0° |
| CAE | CAG | CAK | 123.1° | 120.1° |
| CAG | CAE | H14 | 121.2° | 119.9° |
| CAE | CAG | H15 | 118.5° | 119.9° |
| CAJ | CAX | CAK | 115.3° | 119.7° |
| CAJ | CAX | CAY | 122.7° | 120.2° |
| CAX | CAJ | H12 | 117.8° | 120.0° |
| CAG | CAK | CAX | 120.3° | 119.9° |
| CAK | CAG | H15 | 118.4° | 120.0° |
| CAG | CAK | H16 | 119.8° | 120.1° |
| CAK | CAX | CAY | 122.0° | 120.1° |
| CAX | CAK | H16 | 119.8° | 120.0° |
| CAX | CAY | CAP | 121.7° | 120.1° |
| CAX | CAY | CAL | 122.6° | 120.1° |
| CAN | CAM | CAV | 123.0° | 120.3° |
| CAM | CAN | CAZ | 121.7° | 120.1° |
| CAM | CAN | H4 | 119.1° | 119.9° |
| CAN | CAM | H5 | 118.5° | 119.8° |
| CAM | CAV | NAR | 116.4° | 119.9° |
| CAM | CAV | CAO | 115.0° | 120.3° |
| CAV | CAM | H5 | 118.5° | 119.8° |
| CAN | CAZ | CAS | 121.0° | 120.1° |
| CAN | CAZ | CAW | 116.7° | 119.8° |
| CAZ | CAN | H4 | 119.2° | 120.0° |
| CAY | CAP | CAU | 126.8° | 119.8° |
| CAP | CAY | CAL | 115.8° | 119.8° |
| CAY | CAP | H8 | 116.6° | 120.1° |
| CAP | CAU | NAQ | 116.6° | 120.0° |
| CAP | CAU | CAI | 115.6° | 120.0° |
| CAU | CAP | H8 | 116.6° | 120.1° |
| OAC | CAS | CAZ | 121.3° | 120.0° |
| OAC | CAS | OAA | 117.7° | 120.0° |
| CAV | NAR | CAT | 127.0° | 120.0° |
| NAR | CAV | CAO | 128.4° | 119.9° |
| CAV | NAR | H6 | 116.5° | 120.0° |
| NAR | CAT | NAQ | 114.6° | 120.0° |
| NAR | CAT | OAB | 123.5° | 120.0° |
| CAT | NAR | H6 | 116.5° | 119.9° |
| CAY | CAL | CAH | 118.9° | 120.0° |
| CAY | CAL | H11 | 120.5° | 120.0° |
| CAU | NAQ | CAT | 128.0° | 120.0° |
| NAQ | CAU | CAI | 127.8° | 120.0° |
| CAU | NAQ | H7 | 116.0° | 120.0° |
| NAQ | CAT | OAB | 121.6° | 120.0° |
| CAT | NAQ | H7 | 116.0° | 120.0° |
| CAV | CAO | CAW | 122.3° | 119.9° |
| CAV | CAO | H1 | 118.9° | 120.1° |
| CAS | CAZ | CAW | 122.3° | 120.1° |
| CAZ | CAS | OAA | 120.9° | 120.0° |
| CAZ | CAW | CAO | 121.3° | 119.6° |
| CAZ | CAW | OAD | 116.3° | 120.2° |
| CAU | CAI | CAH | 119.2° | 120.2° |
| CAU | CAI | H9 | 120.4° | 119.9° |
| CAS | OAA | H3 | 109.5° | 117.0° |
| CAL | CAH | CAI | 123.7° | 120.2° |
| CAL | CAH | H10 | 118.2° | 119.9° |
| CAH | CAL | H11 | 120.5° | 120.0° |
| CAO | CAW | OAD | 122.4° | 120.1° |
| CAW | CAO | H1 | 118.9° | 120.1° |
| CAW | OAD | H2 | 109.5° | 113.9° |
| CAH | CAI | H9 | 120.4° | 119.9° |
| CAI | CAH | H10 | 118.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | CAJ | H13 | 180.0° | 179.9° |
| CAF | CAE | CAG | H14 | 180.0° | 179.9° |
| CAE | CAF | CAJ | CAX | 0.6° | 0.0° |
| CAF | CAE | CAG | CAK | 1.2° | 0.0° |
| CAE | CAF | CAJ | H12 | 179.4° | 180.0° |
| CAF | CAE | CAG | H15 | 178.8° | 180.0° |
| CAJ | CAF | CAE | CAG | 0.0° | 0.0° |
| CAF | CAJ | CAX | H12 | 180.0° | 180.0° |
| CAF | CAJ | CAX | CAK | 0.1° | 0.0° |
| CAF | CAJ | CAX | CAY | 179.0° | 179.8° |
| CAJ | CAF | CAE | H14 | 180.0° | 179.9° |
| CAE | CAG | CAK | H15 | 180.0° | 180.0° |
| CAE | CAG | CAK | CAX | 1.7° | 0.0° |
| CAG | CAE | CAF | H13 | 180.0° | 180.0° |
| CAE | CAG | CAK | H16 | 178.3° | 179.7° |
| CAJ | CAX | CAK | CAG | 1.0° | 0.0° |
| CAJ | CAX | CAK | CAY | 179.1° | 179.8° |
| CAJ | CAX | CAY | CAP | 23.1° | 0.2° |
| CAJ | CAX | CAY | CAL | 157.0° | 179.7° |
| CAX | CAJ | CAF | H13 | 179.4° | 179.9° |
| CAJ | CAX | CAK | H16 | 179.0° | 179.8° |
| CAG | CAK | CAX | H16 | 180.0° | 179.7° |
| CAG | CAK | CAX | CAY | 179.9° | 179.8° |
| CAK | CAG | CAE | H14 | 178.8° | 179.9° |
| CAK | CAX | CAY | CAP | 155.9° | 180.0° |
| CAK | CAX | CAY | CAL | 24.0° | 0.1° |
| CAK | CAX | CAJ | H12 | 179.9° | 180.0° |
| CAX | CAK | CAG | H15 | 178.2° | 180.0° |
| CAX | CAY | CAP | CAL | 179.9° | 179.9° |
| CAX | CAY | CAP | CAU | 179.1° | 180.0° |
| CAX | CAY | CAL | CAH | 179.2° | 179.6° |
| CAX | CAY | CAP | H8 | 1.0° | 0.1° |
| CAX | CAY | CAL | H11 | 0.8° | 0.0° |
| CAY | CAX | CAJ | H12 | 1.0° | 0.2° |
| CAY | CAX | CAK | H16 | 0.1° | 0.0° |
| CAN | CAM | CAV | H5 | 180.0° | 179.7° |
| CAM | CAN | CAZ | H4 | 180.0° | 180.0° |
| CAN | CAM | CAV | NAR | 176.5° | 180.0° |
| CAN | CAM | CAV | CAO | 1.9° | 0.6° |
| CAM | CAN | CAZ | CAS | 179.9° | 180.0° |
| CAM | CAN | CAZ | CAW | 0.1° | 0.0° |
| CAV | CAM | CAN | CAZ | 1.4° | 0.3° |
| CAM | CAV | NAR | CAO | 173.7° | 179.3° |
| CAM | CAV | NAR | CAT | 172.7° | 144.2° |
| CAM | CAV | CAO | CAW | 1.5° | 0.7° |
| CAM | CAV | CAO | H1 | 178.6° | 179.7° |
| CAV | CAM | CAN | H4 | 178.6° | 179.7° |
| CAM | CAV | NAR | H6 | 7.2° | 35.8° |
| CAN | CAZ | CAS | OAC | 8.2° | 180.0° |
| CAN | CAZ | CAS | CAW | 180.0° | 180.0° |
| CAN | CAZ | CAS | OAA | 176.4° | 0.0° |
| CAN | CAZ | CAW | CAO | 0.3° | 0.0° |
| CAN | CAZ | CAW | OAD | 178.4° | 180.0° |
| CAZ | CAN | CAM | H5 | 178.7° | 180.0° |
| CAY | CAP | CAU | H8 | 180.0° | 179.9° |
| CAY | CAP | CAU | NAQ | 179.9° | 180.0° |
| CAY | CAP | CAU | CAI | 0.4° | 0.3° |
| CAP | CAY | CAL | CAH | 0.7° | 0.3° |
| CAP | CAY | CAL | H11 | 179.3° | 179.9° |
| CAU | CAP | CAY | CAL | 0.8° | 0.0° |
| CAP | CAU | NAQ | CAI | 179.4° | 179.7° |
| CAP | CAU | NAQ | CAT | 152.9° | 33.6° |
| CAP | CAU | CAI | CAH | 0.2° | 0.3° |
| CAP | CAU | NAQ | H7 | 27.1° | 146.4° |
| CAP | CAU | CAI | H9 | 179.8° | 179.7° |
| OAC | CAS | CAZ | OAA | 175.3° | 180.0° |
| OAC | CAS | CAZ | CAW | 171.8° | 0.0° |
| OAC | CAS | OAA | H3 | 0.0° | 0.0° |
| CAV | NAR | CAT | H6 | 180.0° | 180.0° |
| CAV | NAR | CAT | NAQ | 176.1° | 175.3° |
| CAV | NAR | CAT | OAB | 10.1° | 4.6° |
| NAR | CAV | CAO | CAW | 175.2° | 180.0° |
| NAR | CAV | CAO | H1 | 4.8° | 0.4° |
| NAR | CAV | CAM | H5 | 3.5° | 0.3° |
| NAR | CAT | NAQ | CAU | 179.8° | 174.9° |
| NAR | CAT | NAQ | OAB | 174.0° | 179.9° |
| CAT | NAR | CAV | CAO | 13.6° | 36.4° |
| NAR | CAT | NAQ | H7 | 0.2° | 5.1° |
| CAY | CAL | CAH | H11 | 180.0° | 179.6° |
| CAY | CAL | CAH | CAI | 0.1° | 0.4° |
| CAL | CAY | CAP | H8 | 179.1° | 180.0° |
| CAY | CAL | CAH | H10 | 179.8° | 179.7° |
| CAU | NAQ | CAT | H7 | 180.0° | 179.9° |
| CAU | NAQ | CAT | OAB | 6.2° | 5.2° |
| NAQ | CAU | CAI | CAH | 179.2° | 180.0° |
| NAQ | CAU | CAP | H8 | 0.1° | 0.0° |
| NAQ | CAU | CAI | H9 | 0.8° | 0.0° |
| CAT | NAQ | CAU | CAI | 27.6° | 146.7° |
| NAQ | CAT | NAR | H6 | 4.0° | 4.7° |
| CAV | CAO | CAW | CAZ | 0.4° | 0.3° |
| CAV | CAO | CAW | H1 | 180.0° | 179.6° |
| CAV | CAO | CAW | OAD | 177.6° | 179.7° |
| CAO | CAV | CAM | H5 | 178.1° | 179.7° |
| CAO | CAV | NAR | H6 | 166.5° | 143.6° |
| CAS | CAZ | CAW | CAO | 179.7° | 180.0° |
| CAS | CAZ | CAW | OAD | 1.6° | 0.0° |
| CAZ | CAS | OAA | H3 | 175.5° | 180.0° |
| CAS | CAZ | CAN | H4 | 0.1° | 0.0° |
| CAW | CAZ | CAS | OAA | 3.5° | 180.0° |
| CAZ | CAW | CAO | OAD | 178.0° | 180.0° |
| CAZ | CAW | CAO | H1 | 179.6° | 180.0° |
| CAZ | CAW | OAD | H2 | 180.0° | 90.0° |
| CAW | CAZ | CAN | H4 | 179.8° | 180.0° |
| CAU | CAI | CAH | CAL | 0.4° | 0.1° |
| CAU | CAI | CAH | H9 | 180.0° | 180.0° |
| CAI | CAU | NAQ | H7 | 152.4° | 33.3° |
| CAI | CAU | CAP | H8 | 179.6° | 179.7° |
| CAU | CAI | CAH | H10 | 179.7° | 180.0° |
| OAB | CAT | NAR | H6 | 169.9° | 175.4° |
| OAB | CAT | NAQ | H7 | 173.8° | 174.9° |
| CAL | CAH | CAI | H10 | 180.0° | 179.9° |
| CAL | CAH | CAI | H9 | 179.7° | 179.9° |
| CAO | CAW | OAD | H2 | 1.9° | 90.1° |
| OAD | CAW | CAO | H1 | 2.4° | 0.1° |
| CAI | CAH | CAL | H11 | 179.9° | 180.0° |
| H4 | CAN | CAM | H5 | 1.3° | 0.0° |
| H9 | CAI | CAH | H10 | 0.3° | 0.0° |
| H10 | CAH | CAL | H11 | 0.2° | 0.1° |
| H12 | CAJ | CAF | H13 | 0.6° | 0.1° |
| H13 | CAF | CAE | H14 | 0.0° | 0.1° |
| H14 | CAE | CAG | H15 | 1.2° | 0.1° |
| H15 | CAG | CAK | H16 | 1.7° | 0.3° |
