6EC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| OAY | CAW | doub | 1.21Å | 1.26Å | |
| CAC | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAG | sing | 1.48Å | 1.40Å | |
| CAW | OAX | sing | 1.35Å | 1.22Å | |
| CAW | CAS | sing | 1.47Å | 1.42Å | |
| CAH | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| NAM | CAI | sing | 1.40Å | 1.36Å | |
| NAM | CAN | sing | 1.35Å | 1.38Å | |
| NAO | CAQ | sing | 1.40Å | 1.35Å | |
| NAO | CAN | sing | 1.35Å | 1.36Å | |
| CAS | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAJ | doub | 1.39Å | 1.37Å | Aromatic |
| CAQ | CAV | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | OAP | doub | 1.22Å | 1.23Å | |
| CAL | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | OAZ | sing | 1.36Å | 1.33Å | |
| CAT | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.37Å | Aromatic |
| OAX | H1 | sing | 0.97Å | 0.95Å | |
| CAR | H2 | sing | 1.08Å | 1.08Å | |
| OAZ | H3 | sing | 0.97Å | 0.95Å | |
| CAU | H4 | sing | 1.08Å | 1.08Å | |
| CAV | H5 | sing | 1.08Å | 1.08Å | |
| NAO | H6 | sing | 0.97Å | 1.00Å | |
| NAM | H7 | sing | 0.97Å | 1.00Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.08Å | 1.08Å | |
| CAA | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAD | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 120.3° | 120.2° |
| CAA | CAF | CAE | 117.3° | 120.2° |
| CAF | CAA | H13 | 119.8° | 119.9° |
| CAA | CAF | H14 | 121.3° | 119.9° |
| CAA | CAB | CAC | 121.9° | 119.9° |
| CAA | CAB | H12 | 119.1° | 120.1° |
| CAB | CAA | H13 | 119.8° | 119.9° |
| CAF | CAE | CAD | 122.8° | 120.1° |
| CAE | CAF | H14 | 121.3° | 119.9° |
| CAF | CAE | H15 | 118.6° | 120.0° |
| CAB | CAC | CAD | 117.5° | 119.7° |
| CAB | CAC | CAG | 121.7° | 120.2° |
| CAC | CAB | H12 | 119.1° | 120.0° |
| CAE | CAD | CAC | 120.2° | 119.9° |
| CAD | CAE | H15 | 118.6° | 119.9° |
| CAE | CAD | H16 | 119.9° | 120.0° |
| OAY | CAW | OAX | 116.8° | 120.0° |
| OAY | CAW | CAS | 123.0° | 120.0° |
| CAD | CAC | CAG | 120.8° | 120.1° |
| CAC | CAD | H16 | 119.9° | 120.1° |
| CAC | CAG | CAH | 120.3° | 120.1° |
| CAC | CAG | CAL | 121.3° | 120.1° |
| OAX | CAW | CAS | 120.1° | 120.0° |
| CAW | OAX | H1 | 109.5° | 117.0° |
| CAW | CAS | CAR | 120.4° | 120.2° |
| CAW | CAS | CAT | 123.3° | 120.2° |
| CAG | CAH | CAI | 123.9° | 119.8° |
| CAH | CAG | CAL | 118.4° | 119.8° |
| CAG | CAH | H8 | 118.1° | 120.0° |
| CAH | CAI | NAM | 118.2° | 120.0° |
| CAH | CAI | CAJ | 117.6° | 120.0° |
| CAI | CAH | H8 | 118.0° | 120.1° |
| CAG | CAL | CAK | 118.2° | 120.1° |
| CAG | CAL | H11 | 120.9° | 120.0° |
| CAS | CAR | CAQ | 122.3° | 119.9° |
| CAR | CAS | CAT | 116.3° | 119.6° |
| CAS | CAR | H2 | 118.9° | 120.1° |
| CAR | CAQ | NAO | 115.6° | 119.9° |
| CAR | CAQ | CAV | 118.7° | 120.1° |
| CAQ | CAR | H2 | 118.8° | 120.1° |
| CAI | NAM | CAN | 124.2° | 120.0° |
| NAM | CAI | CAJ | 124.0° | 120.0° |
| CAI | NAM | H7 | 117.9° | 120.1° |
| NAM | CAN | NAO | 113.4° | 120.0° |
| NAM | CAN | OAP | 123.0° | 120.0° |
| CAN | NAM | H7 | 117.9° | 120.0° |
| CAQ | NAO | CAN | 128.5° | 120.0° |
| NAO | CAQ | CAV | 125.6° | 120.0° |
| CAQ | NAO | H6 | 115.8° | 120.0° |
| NAO | CAN | OAP | 123.4° | 120.0° |
| CAN | NAO | H6 | 115.7° | 120.0° |
| CAS | CAT | OAZ | 119.2° | 120.1° |
| CAS | CAT | CAU | 122.3° | 119.9° |
| CAI | CAJ | CAK | 119.6° | 120.2° |
| CAI | CAJ | H9 | 120.2° | 119.9° |
| CAQ | CAV | CAU | 121.3° | 120.4° |
| CAQ | CAV | H5 | 119.3° | 119.8° |
| CAL | CAK | CAJ | 122.3° | 120.1° |
| CAL | CAK | H10 | 118.9° | 119.9° |
| CAK | CAL | H11 | 120.9° | 120.0° |
| OAZ | CAT | CAU | 118.4° | 120.0° |
| CAT | OAZ | H3 | 109.5° | 114.0° |
| CAT | CAU | CAV | 119.0° | 120.2° |
| CAT | CAU | H4 | 120.5° | 119.9° |
| CAK | CAJ | H9 | 120.2° | 119.9° |
| CAJ | CAK | H10 | 118.9° | 119.9° |
| CAV | CAU | H4 | 120.5° | 119.9° |
| CAU | CAV | H5 | 119.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | H13 | 180.0° | 180.0° |
| CAA | CAF | CAE | H14 | 180.0° | 179.9° |
| CAF | CAA | CAB | CAC | 0.2° | 0.1° |
| CAA | CAF | CAE | CAD | 0.3° | 0.0° |
| CAF | CAA | CAB | H12 | 179.8° | 180.0° |
| CAA | CAF | CAE | H15 | 179.7° | 180.0° |
| CAB | CAA | CAF | CAE | 0.6° | 0.0° |
| CAA | CAB | CAC | H12 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.6° | 0.1° |
| CAA | CAB | CAC | CAG | 179.8° | 179.7° |
| CAB | CAA | CAF | H14 | 179.4° | 179.9° |
| CAF | CAE | CAD | H15 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.5° | 0.0° |
| CAE | CAF | CAA | H13 | 179.4° | 180.0° |
| CAF | CAE | CAD | H16 | 179.5° | 179.7° |
| CAB | CAC | CAD | CAE | 0.9° | 0.0° |
| CAB | CAC | CAD | CAG | 179.2° | 179.8° |
| CAB | CAC | CAG | CAH | 25.1° | 0.2° |
| CAB | CAC | CAG | CAL | 155.3° | 179.7° |
| CAC | CAB | CAA | H13 | 179.8° | 180.0° |
| CAB | CAC | CAD | H16 | 179.1° | 179.7° |
| CAE | CAD | CAC | H16 | 180.0° | 179.7° |
| CAE | CAD | CAC | CAG | 179.9° | 179.8° |
| CAD | CAE | CAF | H14 | 179.7° | 180.0° |
| OAY | CAW | OAX | CAS | 176.2° | 180.0° |
| OAY | CAW | CAS | CAR | 16.2° | 179.7° |
| OAY | CAW | CAS | CAT | 163.3° | 0.0° |
| OAY | CAW | OAX | H1 | 0.0° | 0.1° |
| CAD | CAC | CAG | CAH | 154.0° | 180.0° |
| CAD | CAC | CAG | CAL | 25.5° | 0.1° |
| CAD | CAC | CAB | H12 | 179.4° | 179.9° |
| CAC | CAD | CAE | H15 | 179.5° | 180.0° |
| CAC | CAG | CAH | CAL | 179.6° | 180.0° |
| CAC | CAG | CAH | CAI | 177.9° | 180.0° |
| CAC | CAG | CAL | CAK | 178.5° | 179.8° |
| CAC | CAG | CAH | H8 | 2.1° | 0.0° |
| CAC | CAG | CAL | H11 | 1.5° | 0.0° |
| CAG | CAC | CAB | H12 | 0.2° | 0.2° |
| CAG | CAC | CAD | H16 | 0.0° | 0.1° |
| OAX | CAW | CAS | CAR | 167.8° | 0.3° |
| OAX | CAW | CAS | CAT | 12.6° | 180.0° |
| CAW | CAS | CAR | CAT | 179.6° | 179.8° |
| CAW | CAS | CAR | CAQ | 179.9° | 180.0° |
| CAW | CAS | CAT | OAZ | 0.9° | 0.0° |
| CAW | CAS | CAT | CAU | 179.2° | 180.0° |
| CAS | CAW | OAX | H1 | 176.2° | 180.0° |
| CAW | CAS | CAR | H2 | 0.1° | 0.0° |
| CAG | CAH | CAI | H8 | 180.0° | 180.0° |
| CAG | CAH | CAI | NAM | 178.7° | 179.9° |
| CAG | CAH | CAI | CAJ | 2.5° | 0.3° |
| CAH | CAG | CAL | CAK | 1.1° | 0.2° |
| CAH | CAG | CAL | H11 | 178.9° | 180.0° |
| CAI | CAH | CAG | CAL | 1.7° | 0.0° |
| CAH | CAI | NAM | CAJ | 176.0° | 179.6° |
| CAH | CAI | NAM | CAN | 145.9° | 33.3° |
| CAH | CAI | CAJ | CAK | 2.7° | 0.3° |
| CAH | CAI | NAM | H7 | 34.2° | 146.8° |
| CAH | CAI | CAJ | H9 | 177.4° | 179.8° |
| CAG | CAL | CAK | H11 | 180.0° | 179.8° |
| CAG | CAL | CAK | CAJ | 1.4° | 0.2° |
| CAL | CAG | CAH | H8 | 178.3° | 180.0° |
| CAG | CAL | CAK | H10 | 178.5° | 179.8° |
| CAS | CAR | CAQ | H2 | 180.0° | 179.9° |
| CAS | CAR | CAQ | NAO | 178.5° | 180.0° |
| CAS | CAR | CAQ | CAV | 1.4° | 0.0° |
| CAR | CAS | CAT | OAZ | 179.5° | 179.8° |
| CAR | CAS | CAT | CAU | 0.4° | 0.2° |
| CAR | CAQ | NAO | CAV | 176.9° | 180.0° |
| CAR | CAQ | NAO | CAN | 179.0° | 33.3° |
| CAQ | CAR | CAS | CAT | 0.3° | 0.2° |
| CAR | CAQ | CAV | CAU | 1.8° | 0.2° |
| CAR | CAQ | CAV | H5 | 178.2° | 180.0° |
| CAR | CAQ | NAO | H6 | 0.9° | 146.7° |
| CAI | NAM | CAN | H7 | 180.0° | 179.9° |
| CAI | NAM | CAN | NAO | 175.5° | 174.8° |
| CAI | NAM | CAN | OAP | 0.4° | 5.1° |
| NAM | CAI | CAJ | CAK | 178.6° | 180.0° |
| NAM | CAI | CAH | H8 | 1.3° | 0.1° |
| NAM | CAI | CAJ | H9 | 1.4° | 0.1° |
| NAM | CAN | NAO | CAQ | 179.1° | 174.9° |
| NAM | CAN | NAO | OAP | 175.1° | 179.9° |
| CAN | NAM | CAI | CAJ | 38.2° | 147.1° |
| NAM | CAN | NAO | H6 | 0.9° | 5.1° |
| CAQ | NAO | CAN | H6 | 180.0° | 180.0° |
| CAQ | NAO | CAN | OAP | 5.8° | 5.2° |
| NAO | CAQ | CAV | CAU | 178.6° | 179.8° |
| NAO | CAQ | CAR | H2 | 1.5° | 0.1° |
| NAO | CAQ | CAV | H5 | 1.4° | 0.0° |
| CAN | NAO | CAQ | CAV | 4.1° | 146.7° |
| NAO | CAN | NAM | H7 | 4.5° | 5.2° |
| CAS | CAT | OAZ | CAU | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 0.0° | 0.0° |
| CAT | CAS | CAR | H2 | 179.7° | 179.7° |
| CAS | CAT | OAZ | H3 | 180.0° | 90.0° |
| CAS | CAT | CAU | H4 | 179.9° | 180.0° |
| CAI | CAJ | CAK | CAL | 2.3° | 0.1° |
| CAI | CAJ | CAK | H9 | 180.0° | 179.9° |
| CAJ | CAI | NAM | H7 | 141.8° | 32.8° |
| CAJ | CAI | CAH | H8 | 177.5° | 179.7° |
| CAI | CAJ | CAK | H10 | 177.7° | 179.9° |
| CAQ | CAV | CAU | CAT | 1.2° | 0.2° |
| CAQ | CAV | CAU | H5 | 180.0° | 179.8° |
| CAV | CAQ | CAR | H2 | 178.6° | 179.9° |
| CAQ | CAV | CAU | H4 | 178.8° | 179.8° |
| CAV | CAQ | NAO | H6 | 176.0° | 33.3° |
| OAP | CAN | NAO | H6 | 174.1° | 174.8° |
| OAP | CAN | NAM | H7 | 179.6° | 174.9° |
| CAL | CAK | CAJ | H10 | 180.0° | 180.0° |
| CAL | CAK | CAJ | H9 | 177.7° | 180.0° |
| OAZ | CAT | CAU | CAV | 180.0° | 180.0° |
| OAZ | CAT | CAU | H4 | 0.0° | 0.0° |
| CAT | CAU | CAV | H4 | 180.0° | 180.0° |
| CAU | CAT | OAZ | H3 | 0.0° | 90.0° |
| CAT | CAU | CAV | H5 | 178.8° | 180.0° |
| CAJ | CAK | CAL | H11 | 178.5° | 180.0° |
| H4 | CAU | CAV | H5 | 1.2° | 0.0° |
| H9 | CAJ | CAK | H10 | 2.3° | 0.0° |
| H10 | CAK | CAL | H11 | 1.5° | 0.0° |
| H12 | CAB | CAA | H13 | 0.2° | 0.0° |
| H13 | CAA | CAF | H14 | 0.6° | 0.0° |
| H14 | CAF | CAE | H15 | 0.3° | 0.0° |
| H15 | CAE | CAD | H16 | 0.4° | 0.3° |
