9AW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAK | doub | 1.37Å | 1.39Å | Aromatic |
| OAA | CAB | doub | 1.22Å | 1.24Å | |
| CAG | CAB | sing | 1.47Å | 1.40Å | |
| CAG | CAF | doub | 1.41Å | 1.41Å | Aromatic |
| CAB | NAC | sing | 1.35Å | 1.38Å | |
| CAK | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | NAE | sing | 1.35Å | 1.35Å | |
| NAC | CAD | sing | 1.37Å | 1.40Å | |
| NAE | CAD | doub | 1.31Å | 1.36Å | |
| CAD | CAL | sing | 1.48Å | 1.41Å | |
| CAL | CAM | doub | 1.40Å | 1.42Å | Aromatic |
| CAL | CAQ | sing | 1.40Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAR | sing | 1.48Å | 1.41Å | |
| CAR | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | NAS | sing | 1.33Å | 1.35Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| NAS | CAT | doub | 1.32Å | 1.41Å | Aromatic |
| CAV | CAU | doub | 1.39Å | 1.38Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | H1 | sing | 1.08Å | 1.08Å | |
| CAV | H2 | sing | 1.08Å | 1.08Å | |
| CAU | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAP | H5 | sing | 1.08Å | 1.08Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.08Å | 1.08Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| NAC | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAI | CAJ | 118.8° | 120.5° |
| CAI | CAH | CAG | 119.3° | 119.4° |
| CAH | CAI | H11 | 120.6° | 119.7° |
| CAI | CAH | H12 | 120.4° | 120.3° |
| CAI | CAJ | CAK | 122.2° | 121.0° |
| CAI | CAJ | H10 | 118.9° | 119.5° |
| CAJ | CAI | H11 | 120.5° | 119.8° |
| CAH | CAG | CAB | 121.0° | 121.9° |
| CAH | CAG | CAF | 121.1° | 120.0° |
| CAG | CAH | H12 | 120.4° | 120.3° |
| CAJ | CAK | CAF | 118.7° | 119.8° |
| CAJ | CAK | H9 | 120.6° | 120.1° |
| CAK | CAJ | H10 | 118.9° | 119.5° |
| OAA | CAB | CAG | 123.2° | 121.2° |
| OAA | CAB | NAC | 117.5° | 121.3° |
| CAB | CAG | CAF | 118.0° | 118.2° |
| CAG | CAB | NAC | 119.3° | 117.5° |
| CAG | CAF | CAK | 120.0° | 119.3° |
| CAG | CAF | NAE | 121.2° | 119.2° |
| CAB | NAC | CAD | 121.4° | 120.4° |
| CAB | NAC | H13 | 119.3° | 119.8° |
| CAK | CAF | NAE | 118.8° | 121.5° |
| CAF | CAK | H9 | 120.7° | 120.1° |
| CAF | NAE | CAD | 121.8° | 121.6° |
| NAC | CAD | NAE | 118.2° | 123.1° |
| NAC | CAD | CAL | 122.0° | 118.4° |
| CAD | NAC | H13 | 119.3° | 119.9° |
| NAE | CAD | CAL | 119.5° | 118.5° |
| CAD | CAL | CAM | 121.1° | 120.0° |
| CAD | CAL | CAQ | 120.9° | 120.0° |
| CAM | CAL | CAQ | 117.6° | 119.9° |
| CAL | CAM | CAN | 120.7° | 120.0° |
| CAL | CAM | H8 | 119.7° | 120.1° |
| CAL | CAQ | CAP | 120.6° | 120.0° |
| CAL | CAQ | H6 | 119.7° | 120.0° |
| CAM | CAN | CAO | 121.3° | 120.1° |
| CAM | CAN | H7 | 119.3° | 120.0° |
| CAN | CAM | H8 | 119.6° | 120.0° |
| CAQ | CAP | CAO | 121.6° | 120.0° |
| CAQ | CAP | H5 | 119.2° | 120.0° |
| CAP | CAQ | H6 | 119.7° | 120.0° |
| CAN | CAO | CAP | 118.1° | 120.0° |
| CAN | CAO | CAR | 123.1° | 120.0° |
| CAO | CAN | H7 | 119.4° | 120.0° |
| CAP | CAO | CAR | 118.6° | 119.9° |
| CAO | CAP | H5 | 119.2° | 120.0° |
| CAO | CAR | CAW | 118.5° | 119.7° |
| CAO | CAR | NAS | 122.0° | 119.8° |
| CAW | CAR | NAS | 119.3° | 120.5° |
| CAR | CAW | CAV | 120.1° | 119.1° |
| CAR | CAW | H1 | 119.9° | 120.5° |
| CAR | NAS | CAT | 121.5° | 121.6° |
| CAW | CAV | CAU | 120.2° | 118.5° |
| CAV | CAW | H1 | 119.9° | 120.4° |
| CAW | CAV | H2 | 119.9° | 120.7° |
| NAS | CAT | CAU | 119.4° | 120.9° |
| NAS | CAT | H4 | 120.3° | 119.5° |
| CAV | CAU | CAT | 119.5° | 119.3° |
| CAU | CAV | H2 | 119.9° | 120.8° |
| CAV | CAU | H3 | 120.2° | 120.3° |
| CAT | CAU | H3 | 120.3° | 120.3° |
| CAU | CAT | H4 | 120.3° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAI | CAJ | H11 | 180.0° | 179.9° |
| CAI | CAH | CAG | H12 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.3° | 0.0° |
| CAI | CAH | CAG | CAB | 179.3° | 180.0° |
| CAI | CAH | CAG | CAF | 0.0° | 0.1° |
| CAH | CAI | CAJ | H10 | 179.7° | 180.0° |
| CAJ | CAI | CAH | CAG | 0.2° | 0.0° |
| CAI | CAJ | CAK | H10 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAF | 0.1° | 0.0° |
| CAI | CAJ | CAK | H9 | 179.9° | 179.9° |
| CAJ | CAI | CAH | H12 | 179.8° | 180.0° |
| CAH | CAG | CAB | OAA | 1.7° | 0.0° |
| CAH | CAG | CAB | CAF | 179.4° | 179.9° |
| CAH | CAG | CAB | NAC | 178.6° | 179.8° |
| CAH | CAG | CAF | CAK | 0.2° | 0.1° |
| CAH | CAG | CAF | NAE | 177.9° | 180.0° |
| CAG | CAH | CAI | H11 | 179.8° | 180.0° |
| CAJ | CAK | CAF | CAG | 0.1° | 0.0° |
| CAJ | CAK | CAF | H9 | 180.0° | 179.9° |
| CAJ | CAK | CAF | NAE | 178.0° | 180.0° |
| CAK | CAJ | CAI | H11 | 179.7° | 179.9° |
| OAA | CAB | CAG | NAC | 179.7° | 179.8° |
| OAA | CAB | CAG | CAF | 177.7° | 180.0° |
| OAA | CAB | NAC | CAD | 177.4° | 179.7° |
| OAA | CAB | NAC | H13 | 2.6° | 0.2° |
| CAB | CAG | CAF | CAK | 179.1° | 180.0° |
| CAB | CAG | CAF | NAE | 2.7° | 0.0° |
| CAG | CAB | NAC | CAD | 2.3° | 0.6° |
| CAB | CAG | CAH | H12 | 0.7° | 0.0° |
| CAG | CAB | NAC | H13 | 177.7° | 180.0° |
| CAF | CAG | CAB | NAC | 2.0° | 0.3° |
| CAG | CAF | CAK | NAE | 178.1° | 180.0° |
| CAG | CAF | NAE | CAD | 3.8° | 0.1° |
| CAG | CAF | CAK | H9 | 179.9° | 180.0° |
| CAF | CAG | CAH | H12 | 180.0° | 180.0° |
| CAB | NAC | CAD | H13 | 180.0° | 179.4° |
| CAB | NAC | CAD | NAE | 3.1° | 0.7° |
| CAB | NAC | CAD | CAL | 176.6° | 179.7° |
| CAK | CAF | NAE | CAD | 178.1° | 179.9° |
| CAF | CAK | CAJ | H10 | 179.9° | 180.0° |
| CAF | NAE | CAD | NAC | 3.8° | 0.4° |
| CAF | NAE | CAD | CAL | 177.5° | 180.0° |
| NAE | CAF | CAK | H9 | 2.0° | 0.1° |
| NAC | CAD | NAE | CAL | 173.6° | 179.6° |
| NAC | CAD | CAL | CAM | 18.1° | 179.7° |
| NAC | CAD | CAL | CAQ | 169.5° | 0.6° |
| NAE | CAD | CAL | CAM | 155.3° | 0.1° |
| NAE | CAD | CAL | CAQ | 17.1° | 179.8° |
| NAE | CAD | NAC | H13 | 176.9° | 179.9° |
| CAD | CAL | CAM | CAQ | 172.6° | 179.7° |
| CAD | CAL | CAM | CAN | 176.6° | 180.0° |
| CAD | CAL | CAQ | CAP | 176.5° | 180.0° |
| CAD | CAL | CAQ | H6 | 3.5° | 0.1° |
| CAD | CAL | CAM | H8 | 3.4° | 0.0° |
| CAL | CAD | NAC | H13 | 3.4° | 0.3° |
| CAL | CAM | CAN | H8 | 180.0° | 180.0° |
| CAM | CAL | CAQ | CAP | 3.9° | 0.3° |
| CAL | CAM | CAN | CAO | 1.0° | 0.0° |
| CAM | CAL | CAQ | H6 | 176.1° | 179.8° |
| CAL | CAM | CAN | H7 | 179.0° | 180.0° |
| CAQ | CAL | CAM | CAN | 4.0° | 0.3° |
| CAL | CAQ | CAP | H6 | 180.0° | 179.9° |
| CAL | CAQ | CAP | CAO | 0.7° | 0.0° |
| CAL | CAQ | CAP | H5 | 179.3° | 180.0° |
| CAQ | CAL | CAM | H8 | 176.0° | 179.8° |
| CAM | CAN | CAO | H7 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 2.2° | 0.3° |
| CAM | CAN | CAO | CAR | 176.6° | 180.0° |
| CAQ | CAP | CAO | CAN | 2.4° | 0.3° |
| CAQ | CAP | CAO | H5 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAR | 177.0° | 180.0° |
| CAN | CAO | CAP | CAR | 174.6° | 179.7° |
| CAN | CAO | CAR | CAW | 44.2° | 0.3° |
| CAN | CAO | CAR | NAS | 141.0° | 179.8° |
| CAN | CAO | CAP | H5 | 177.6° | 179.7° |
| CAO | CAN | CAM | H8 | 179.0° | 180.0° |
| CAP | CAO | CAR | CAW | 130.1° | 180.0° |
| CAP | CAO | CAR | NAS | 44.7° | 0.5° |
| CAO | CAP | CAQ | H6 | 179.3° | 179.9° |
| CAP | CAO | CAN | H7 | 177.8° | 179.8° |
| CAO | CAR | CAW | NAS | 174.9° | 179.5° |
| CAO | CAR | CAW | CAV | 177.4° | 180.0° |
| CAO | CAR | NAS | CAT | 177.3° | 180.0° |
| CAO | CAR | CAW | H1 | 2.6° | 0.3° |
| CAR | CAO | CAP | H5 | 3.0° | 0.0° |
| CAR | CAO | CAN | H7 | 3.4° | 0.1° |
| CAR | CAW | CAV | H1 | 180.0° | 179.7° |
| CAW | CAR | NAS | CAT | 2.6° | 0.5° |
| CAR | CAW | CAV | CAU | 1.0° | 0.2° |
| CAR | CAW | CAV | H2 | 179.0° | 179.8° |
| NAS | CAR | CAW | CAV | 2.5° | 0.5° |
| CAR | NAS | CAT | CAU | 1.3° | 0.3° |
| NAS | CAR | CAW | H1 | 177.5° | 179.7° |
| CAR | NAS | CAT | H4 | 178.7° | 179.7° |
| CAW | CAV | CAU | H2 | 180.0° | 180.0° |
| CAW | CAV | CAU | CAT | 0.3° | 0.0° |
| CAW | CAV | CAU | H3 | 179.7° | 180.0° |
| NAS | CAT | CAU | CAV | 0.2° | 0.0° |
| NAS | CAT | CAU | H4 | 180.0° | 179.9° |
| NAS | CAT | CAU | H3 | 179.8° | 179.9° |
| CAV | CAU | CAT | H3 | 180.0° | 179.9° |
| CAU | CAV | CAW | H1 | 179.0° | 180.0° |
| CAV | CAU | CAT | H4 | 179.8° | 180.0° |
| CAT | CAU | CAV | H2 | 179.7° | 180.0° |
| H1 | CAW | CAV | H2 | 1.0° | 0.0° |
| H2 | CAV | CAU | H3 | 0.3° | 0.0° |
| H3 | CAU | CAT | H4 | 0.2° | 0.1° |
| H5 | CAP | CAQ | H6 | 0.7° | 0.1° |
| H7 | CAN | CAM | H8 | 1.0° | 0.0° |
| H9 | CAK | CAJ | H10 | 0.1° | 0.1° |
| H10 | CAJ | CAI | H11 | 0.3° | 0.1° |
| H11 | CAI | CAH | H12 | 0.2° | 0.1° |
