6C0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAT | sing | 1.36Å | 1.35Å | |
| CAT | CAK | doub | 1.38Å | 1.35Å | Aromatic |
| CAT | CAZ | sing | 1.40Å | 1.38Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.41Å | Aromatic |
| OAB | CAR | doub | 1.22Å | 1.42Å | |
| CAR | CAZ | sing | 1.47Å | 1.61Å | |
| CAR | OAP | sing | 1.35Å | 1.19Å | |
| CAZ | CAY | doub | 1.40Å | 1.43Å | Aromatic |
| CAS | OAC | sing | 1.36Å | 1.42Å | |
| CAS | CAW | doub | 1.39Å | 1.37Å | Aromatic |
| CAA | OAP | sing | 1.45Å | 1.44Å | |
| CAY | CAW | sing | 1.38Å | 1.36Å | Aromatic |
| CAY | CAM | sing | 1.51Å | 1.55Å | |
| CAW | CL1 | sing | 1.74Å | 1.75Å | |
| CAM | CAL | sing | 1.53Å | 1.52Å | |
| CAL | CAX | sing | 1.51Å | 1.50Å | |
| NAO | CAX | doub | 1.30Å | 1.36Å | Aromatic |
| NAO | CAG | sing | 1.34Å | 1.37Å | Aromatic |
| CAX | NBA | sing | 1.35Å | 1.35Å | Aromatic |
| CAG | CAJ | doub | 1.35Å | 1.43Å | Aromatic |
| NBA | CAJ | sing | 1.37Å | 1.38Å | Aromatic |
| NBA | CAN | sing | 1.46Å | 1.41Å | |
| CAN | CAV | sing | 1.51Å | 1.56Å | |
| CAV | OAQ | sing | 1.34Å | 1.33Å | Aromatic |
| CAV | CAI | doub | 1.34Å | 1.50Å | Aromatic |
| OAQ | CAU | sing | 1.34Å | 1.38Å | Aromatic |
| CAI | CAH | sing | 1.41Å | 1.46Å | Aromatic |
| CAU | CAH | doub | 1.35Å | 1.46Å | Aromatic |
| CAU | CL2 | sing | 1.74Å | 1.79Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| OAD | H4 | sing | 0.97Å | 0.95Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAT | CAK | 119.7° | 120.1° |
| OAD | CAT | CAZ | 119.2° | 120.1° |
| CAT | OAD | H4 | 109.5° | 114.0° |
| CAK | CAT | CAZ | 121.0° | 119.7° |
| CAT | CAK | CAS | 119.9° | 120.1° |
| CAT | CAK | H5 | 120.1° | 120.0° |
| CAT | CAZ | CAR | 117.6° | 120.1° |
| CAT | CAZ | CAY | 119.1° | 119.7° |
| CAK | CAS | OAC | 121.0° | 119.9° |
| CAK | CAS | CAW | 119.9° | 120.3° |
| CAS | CAK | H5 | 120.1° | 120.0° |
| OAB | CAR | CAZ | 118.9° | 120.0° |
| OAB | CAR | OAP | 120.3° | 120.0° |
| CAZ | CAR | OAP | 120.8° | 120.0° |
| CAR | CAZ | CAY | 123.3° | 120.2° |
| CAR | OAP | CAA | 122.6° | 117.0° |
| CAZ | CAY | CAW | 119.1° | 119.9° |
| CAZ | CAY | CAM | 121.0° | 120.0° |
| OAC | CAS | CAW | 119.1° | 119.9° |
| CAS | OAC | H6 | 109.5° | 114.0° |
| CAS | CAW | CAY | 121.0° | 120.2° |
| CAS | CAW | CL1 | 118.0° | 119.9° |
| OAP | CAA | H1 | 109.5° | 109.5° |
| OAP | CAA | H2 | 109.5° | 109.5° |
| OAP | CAA | H3 | 109.4° | 109.5° |
| CAW | CAY | CAM | 119.9° | 120.0° |
| CAY | CAW | CL1 | 121.0° | 119.9° |
| CAY | CAM | CAL | 117.2° | 109.5° |
| CAY | CAM | H7 | 107.5° | 109.5° |
| CAY | CAM | H8 | 107.5° | 109.5° |
| CAM | CAL | CAX | 106.1° | 109.5° |
| CAL | CAM | H7 | 107.5° | 109.5° |
| CAL | CAM | H8 | 107.5° | 109.4° |
| CAM | CAL | H9 | 110.3° | 109.5° |
| CAM | CAL | H10 | 110.3° | 109.5° |
| CAL | CAX | NAO | 121.4° | 125.6° |
| CAL | CAX | NBA | 126.9° | 125.6° |
| CAX | CAL | H9 | 110.3° | 109.5° |
| CAX | CAL | H10 | 110.3° | 109.5° |
| CAX | NAO | CAG | 108.4° | 109.2° |
| NAO | CAX | NBA | 111.7° | 108.7° |
| NAO | CAG | CAJ | 104.9° | 108.0° |
| NAO | CAG | H11 | 127.5° | 126.0° |
| CAX | NBA | CAJ | 105.4° | 107.2° |
| CAX | NBA | CAN | 126.9° | 126.4° |
| CAG | CAJ | NBA | 109.5° | 106.8° |
| CAJ | CAG | H11 | 127.5° | 126.0° |
| CAG | CAJ | H12 | 125.3° | 126.5° |
| CAJ | NBA | CAN | 127.8° | 126.4° |
| NBA | CAJ | H12 | 125.2° | 126.6° |
| NBA | CAN | CAV | 112.0° | 109.5° |
| NBA | CAN | H13 | 108.9° | 109.5° |
| NBA | CAN | H14 | 108.8° | 109.4° |
| CAN | CAV | OAQ | 125.3° | 125.8° |
| CAN | CAV | CAI | 127.0° | 125.8° |
| CAV | CAN | H13 | 108.8° | 109.5° |
| CAV | CAN | H14 | 108.8° | 109.5° |
| OAQ | CAV | CAI | 107.8° | 108.5° |
| CAV | OAQ | CAU | 113.0° | 109.5° |
| CAV | CAI | CAH | 105.4° | 106.9° |
| CAV | CAI | H16 | 127.3° | 126.6° |
| OAQ | CAU | CAH | 107.9° | 108.4° |
| OAQ | CAU | CL2 | 123.6° | 125.8° |
| CAI | CAH | CAU | 105.9° | 106.9° |
| CAI | CAH | H15 | 127.0° | 126.6° |
| CAH | CAI | H16 | 127.3° | 126.6° |
| CAH | CAU | CL2 | 128.5° | 125.8° |
| CAU | CAH | H15 | 127.1° | 126.6° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H7 | CAM | H8 | 109.4° | 109.5° |
| H9 | CAL | H10 | 109.4° | 109.4° |
| H13 | CAN | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAT | CAK | CAZ | 179.5° | 179.9° |
| OAD | CAT | CAK | CAS | 179.9° | 180.0° |
| OAD | CAT | CAZ | CAR | 1.2° | 0.1° |
| OAD | CAT | CAZ | CAY | 179.5° | 179.7° |
| OAD | CAT | CAK | H5 | 0.1° | 0.0° |
| CAT | CAK | CAS | H5 | 180.0° | 180.0° |
| CAK | CAT | CAZ | CAR | 179.2° | 180.0° |
| CAK | CAT | CAZ | CAY | 1.0° | 0.2° |
| CAT | CAK | CAS | OAC | 179.6° | 180.0° |
| CAT | CAK | CAS | CAW | 0.1° | 0.0° |
| CAK | CAT | OAD | H4 | 161.8° | 90.0° |
| CAZ | CAT | CAK | CAS | 0.4° | 0.0° |
| CAT | CAZ | CAR | OAB | 46.7° | 89.8° |
| CAT | CAZ | CAR | CAY | 178.2° | 179.8° |
| CAT | CAZ | CAR | OAP | 130.7° | 90.2° |
| CAT | CAZ | CAY | CAW | 1.1° | 0.5° |
| CAT | CAZ | CAY | CAM | 179.9° | 179.7° |
| CAZ | CAT | OAD | H4 | 17.7° | 90.1° |
| CAZ | CAT | CAK | H5 | 179.6° | 179.9° |
| CAK | CAS | OAC | CAW | 179.7° | 180.0° |
| CAK | CAS | CAW | CAY | 0.1° | 0.2° |
| CAK | CAS | CAW | CL1 | 179.9° | 180.0° |
| CAK | CAS | OAC | H6 | 180.0° | 90.0° |
| OAB | CAR | CAZ | OAP | 177.4° | 180.0° |
| OAB | CAR | CAZ | CAY | 135.1° | 90.0° |
| OAB | CAR | OAP | CAA | 1.7° | 0.0° |
| CAZ | CAR | OAP | CAA | 179.1° | 180.0° |
| CAR | CAZ | CAY | CAW | 179.3° | 179.7° |
| CAR | CAZ | CAY | CAM | 1.9° | 0.1° |
| OAP | CAR | CAZ | CAY | 47.5° | 90.0° |
| CAR | OAP | CAA | H1 | 180.0° | 180.0° |
| CAR | OAP | CAA | H2 | 60.0° | 60.1° |
| CAR | OAP | CAA | H3 | 60.0° | 60.0° |
| CAZ | CAY | CAW | CAS | 0.6° | 0.5° |
| CAZ | CAY | CAW | CAM | 178.9° | 179.8° |
| CAZ | CAY | CAW | CL1 | 179.4° | 179.8° |
| CAZ | CAY | CAM | CAL | 123.2° | 90.0° |
| CAZ | CAY | CAM | H7 | 115.7° | 150.0° |
| CAZ | CAY | CAM | H8 | 2.0° | 30.0° |
| OAC | CAS | CAW | CAY | 179.7° | 179.8° |
| OAC | CAS | CAW | CL1 | 0.3° | 0.0° |
| OAC | CAS | CAK | H5 | 0.4° | 0.0° |
| CAS | CAW | CAY | CL1 | 180.0° | 179.8° |
| CAS | CAW | CAY | CAM | 179.5° | 179.7° |
| CAW | CAS | CAK | H5 | 179.9° | 179.9° |
| CAW | CAS | OAC | H6 | 0.3° | 90.0° |
| OAP | CAA | H1 | H2 | 120.0° | 119.9° |
| OAP | CAA | H1 | H3 | 120.0° | 120.0° |
| OAP | CAA | H2 | H3 | 120.0° | 120.1° |
| CAW | CAY | CAM | CAL | 58.0° | 89.8° |
| CAW | CAY | CAM | H7 | 63.1° | 30.2° |
| CAW | CAY | CAM | H8 | 179.1° | 150.3° |
| CAM | CAY | CAW | CL1 | 0.5° | 0.0° |
| CAY | CAM | CAL | H7 | 121.1° | 120.0° |
| CAY | CAM | CAL | H8 | 121.1° | 120.0° |
| CAY | CAM | CAL | CAX | 156.0° | 180.0° |
| CAY | CAM | H7 | H8 | 116.5° | 120.0° |
| CAY | CAM | CAL | H9 | 36.5° | 60.0° |
| CAY | CAM | CAL | H10 | 84.5° | 60.0° |
| CAM | CAL | CAX | H9 | 119.5° | 120.0° |
| CAM | CAL | CAX | H10 | 119.5° | 120.0° |
| CAM | CAL | CAX | NAO | 44.4° | 89.7° |
| CAM | CAL | CAX | NBA | 134.2° | 90.0° |
| CAL | CAM | H7 | H8 | 116.5° | 120.0° |
| CAM | CAL | H9 | H10 | 121.6° | 120.0° |
| CAL | CAX | NAO | NBA | 178.8° | 179.7° |
| CAL | CAX | NAO | CAG | 179.7° | 180.0° |
| CAL | CAX | NBA | CAJ | 179.7° | 179.9° |
| CAL | CAX | NBA | CAN | 1.0° | 0.0° |
| CAX | CAL | CAM | H7 | 82.9° | 60.0° |
| CAX | CAL | CAM | H8 | 34.9° | 60.0° |
| CAX | CAL | H9 | H10 | 121.5° | 120.0° |
| CAX | NAO | CAG | CAJ | 0.4° | 0.0° |
| NAO | CAX | NBA | CAJ | 1.0° | 0.4° |
| NAO | CAX | NBA | CAN | 179.7° | 179.7° |
| NAO | CAX | CAL | H9 | 75.1° | 150.3° |
| NAO | CAX | CAL | H10 | 163.9° | 30.3° |
| CAX | NAO | CAG | H11 | 179.6° | 180.0° |
| CAG | NAO | CAX | NBA | 0.9° | 0.2° |
| NAO | CAG | CAJ | H11 | 180.0° | 180.0° |
| NAO | CAG | CAJ | NBA | 0.2° | 0.3° |
| NAO | CAG | CAJ | H12 | 179.8° | 180.0° |
| CAX | NBA | CAJ | CAG | 0.7° | 0.4° |
| CAX | NBA | CAJ | CAN | 179.3° | 179.9° |
| CAX | NBA | CAN | CAV | 177.0° | 85.0° |
| NBA | CAX | CAL | H9 | 106.3° | 30.0° |
| NBA | CAX | CAL | H10 | 14.7° | 150.0° |
| CAX | NBA | CAJ | H12 | 179.3° | 179.9° |
| CAX | NBA | CAN | H13 | 56.6° | 155.0° |
| CAX | NBA | CAN | H14 | 62.7° | 35.0° |
| CAG | CAJ | NBA | H12 | 180.0° | 179.7° |
| CAG | CAJ | NBA | CAN | 180.0° | 179.7° |
| CAJ | NBA | CAN | CAV | 2.1° | 94.8° |
| NBA | CAJ | CAG | H11 | 179.8° | 179.8° |
| CAJ | NBA | CAN | H13 | 122.5° | 25.2° |
| CAJ | NBA | CAN | H14 | 118.2° | 145.2° |
| NBA | CAN | CAV | H13 | 120.4° | 120.0° |
| NBA | CAN | CAV | H14 | 120.4° | 120.0° |
| NBA | CAN | CAV | OAQ | 18.4° | 90.0° |
| NBA | CAN | CAV | CAI | 161.9° | 89.7° |
| CAN | NBA | CAJ | H12 | 0.0° | 0.0° |
| NBA | CAN | H13 | H14 | 118.9° | 120.0° |
| CAN | CAV | OAQ | CAI | 179.8° | 179.7° |
| CAN | CAV | OAQ | CAU | 179.9° | 180.0° |
| CAN | CAV | CAI | CAH | 179.9° | 179.9° |
| CAV | CAN | H13 | H14 | 118.8° | 120.0° |
| CAN | CAV | CAI | H16 | 0.1° | 0.1° |
| OAQ | CAV | CAI | CAH | 0.2° | 0.4° |
| CAV | OAQ | CAU | CAH | 0.4° | 0.0° |
| CAV | OAQ | CAU | CL2 | 179.9° | 180.0° |
| OAQ | CAV | CAN | H13 | 138.8° | 150.1° |
| OAQ | CAV | CAN | H14 | 102.0° | 30.0° |
| OAQ | CAV | CAI | H16 | 179.8° | 179.7° |
| CAI | CAV | OAQ | CAU | 0.3° | 0.3° |
| CAV | CAI | CAH | H16 | 180.0° | 179.9° |
| CAV | CAI | CAH | CAU | 0.0° | 0.4° |
| CAI | CAV | CAN | H13 | 41.5° | 30.3° |
| CAI | CAV | CAN | H14 | 77.7° | 150.3° |
| CAV | CAI | CAH | H15 | 180.0° | 179.9° |
| OAQ | CAU | CAH | CAI | 0.2° | 0.2° |
| OAQ | CAU | CAH | CL2 | 179.7° | 180.0° |
| OAQ | CAU | CAH | H15 | 179.8° | 180.0° |
| CAI | CAH | CAU | H15 | 180.0° | 179.7° |
| CAI | CAH | CAU | CL2 | 179.9° | 179.7° |
| CAU | CAH | CAI | H16 | 180.0° | 179.7° |
| CL2 | CAU | CAH | H15 | 0.0° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H7 | CAM | CAL | H9 | 157.6° | 180.0° |
| H7 | CAM | CAL | H10 | 36.6° | 60.0° |
| H8 | CAM | CAL | H9 | 84.6° | 60.0° |
| H8 | CAM | CAL | H10 | 154.3° | 180.0° |
| H11 | CAG | CAJ | H12 | 0.2° | 0.1° |
| H15 | CAH | CAI | H16 | 0.1° | 0.0° |
