V9J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAC | sing | 1.36Å | 1.41Å | |
| CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.37Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | CAF | doub | 1.41Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | SAG | sing | 1.76Å | 1.69Å | Aromatic |
| CAF | CAI | sing | 1.46Å | 1.47Å | Aromatic |
| SAG | CAH | sing | 1.75Å | 1.68Å | Aromatic |
| CAI | CAJ | sing | 1.48Å | 1.51Å | |
| CAI | CAH | doub | 1.34Å | 1.41Å | Aromatic |
| CAJ | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | OAK | sing | 1.36Å | 1.41Å | |
| CAU | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | FAY | sing | 1.35Å | 1.34Å | |
| OAK | CAL | sing | 1.36Å | 1.41Å | |
| CAM | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | OAR | sing | 1.36Å | 1.41Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| OAR | H3 | sing | 0.97Å | 0.95Å | |
| CAP | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| OAS | H7 | sing | 0.97Å | 0.95Å | |
| CAB | H8 | sing | 1.08Å | 1.08Å | |
| CAA | H9 | sing | 1.08Å | 1.08Å | |
| CAT | H10 | sing | 1.08Å | 1.08Å | |
| CAU | H11 | sing | 1.08Å | 1.08Å | |
| CAW | H12 | sing | 1.08Å | 1.08Å | |
| CAX | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAC | CAB | 120.2° | 120.0° |
| OAS | CAC | CAD | 119.9° | 120.0° |
| CAC | OAS | H7 | 109.5° | 114.0° |
| CAB | CAC | CAD | 119.9° | 120.0° |
| CAC | CAB | CAA | 120.1° | 120.3° |
| CAC | CAB | H8 | 120.0° | 119.8° |
| CAC | CAD | CAE | 120.0° | 120.3° |
| CAC | CAD | H6 | 120.0° | 119.8° |
| CAB | CAA | CAF | 120.1° | 120.4° |
| CAA | CAB | H8 | 120.0° | 119.8° |
| CAB | CAA | H9 | 120.0° | 119.8° |
| CAD | CAE | CAF | 120.3° | 119.8° |
| CAD | CAE | SAG | 134.4° | 130.1° |
| CAE | CAD | H6 | 120.0° | 119.9° |
| CAA | CAF | CAE | 119.7° | 119.0° |
| CAA | CAF | CAI | 126.3° | 129.0° |
| CAF | CAA | H9 | 119.9° | 119.8° |
| CAF | CAE | SAG | 105.3° | 110.0° |
| CAE | CAF | CAI | 114.0° | 112.0° |
| CAE | SAG | CAH | 101.7° | 92.4° |
| CAF | CAI | CAJ | 121.6° | 122.9° |
| CAF | CAI | CAH | 114.1° | 114.3° |
| SAG | CAH | CAI | 104.9° | 111.3° |
| SAG | CAH | OAK | 125.4° | 124.3° |
| CAJ | CAI | CAH | 124.3° | 122.9° |
| CAI | CAJ | CAX | 120.3° | 120.1° |
| CAI | CAJ | CAT | 119.8° | 120.1° |
| CAI | CAH | OAK | 129.6° | 124.3° |
| CAX | CAJ | CAT | 120.0° | 119.8° |
| CAJ | CAX | CAW | 119.9° | 119.8° |
| CAJ | CAX | H13 | 120.1° | 120.1° |
| CAJ | CAT | CAU | 120.1° | 119.9° |
| CAJ | CAT | H10 | 120.0° | 120.1° |
| CAX | CAW | CAV | 120.1° | 120.1° |
| CAX | CAW | H12 | 119.9° | 119.9° |
| CAW | CAX | H13 | 120.1° | 120.1° |
| CAT | CAU | CAV | 120.0° | 120.1° |
| CAU | CAT | H10 | 119.9° | 120.1° |
| CAT | CAU | H11 | 120.0° | 119.9° |
| CAW | CAV | CAU | 120.0° | 120.2° |
| CAW | CAV | FAY | 120.1° | 119.9° |
| CAV | CAW | H12 | 120.0° | 120.0° |
| CAH | OAK | CAL | 116.5° | 118.0° |
| CAU | CAV | FAY | 119.9° | 119.9° |
| CAV | CAU | H11 | 120.0° | 119.9° |
| OAK | CAL | CAM | 121.8° | 120.0° |
| OAK | CAL | CAQ | 118.3° | 120.0° |
| CAL | CAM | CAN | 119.7° | 120.0° |
| CAM | CAL | CAQ | 119.9° | 120.0° |
| CAL | CAM | H1 | 120.2° | 120.0° |
| CAM | CAN | CAO | 120.2° | 120.0° |
| CAN | CAM | H1 | 120.2° | 120.0° |
| CAM | CAN | H2 | 119.9° | 120.0° |
| CAL | CAQ | CAP | 120.4° | 120.0° |
| CAL | CAQ | H5 | 119.8° | 120.0° |
| CAN | CAO | CAP | 120.1° | 120.0° |
| CAN | CAO | OAR | 120.6° | 120.0° |
| CAO | CAN | H2 | 119.9° | 120.0° |
| CAQ | CAP | CAO | 119.8° | 120.0° |
| CAQ | CAP | H4 | 120.1° | 120.0° |
| CAP | CAQ | H5 | 119.8° | 120.0° |
| CAP | CAO | OAR | 119.3° | 120.0° |
| CAO | CAP | H4 | 120.1° | 120.0° |
| CAO | OAR | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAC | CAB | CAD | 179.9° | 179.9° |
| OAS | CAC | CAB | CAA | 179.9° | 179.9° |
| OAS | CAC | CAD | CAE | 179.9° | 179.9° |
| OAS | CAC | CAD | H6 | 0.1° | 0.1° |
| OAS | CAC | CAB | H8 | 0.1° | 0.0° |
| CAC | CAB | CAA | H8 | 180.0° | 179.9° |
| CAB | CAC | CAD | CAE | 0.0° | 0.0° |
| CAC | CAB | CAA | CAF | 0.0° | 0.0° |
| CAB | CAC | CAD | H6 | 180.0° | 180.0° |
| CAB | CAC | OAS | H7 | 180.0° | 90.1° |
| CAC | CAB | CAA | H9 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.0° | 0.0° |
| CAC | CAD | CAE | H6 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.0° | 0.0° |
| CAC | CAD | CAE | SAG | 180.0° | 179.6° |
| CAD | CAC | OAS | H7 | 0.1° | 90.0° |
| CAD | CAC | CAB | H8 | 180.0° | 179.9° |
| CAB | CAA | CAF | H9 | 180.0° | 179.9° |
| CAB | CAA | CAF | CAE | 0.0° | 0.1° |
| CAB | CAA | CAF | CAI | 180.0° | 180.0° |
| CAD | CAE | CAF | CAA | 0.0° | 0.1° |
| CAD | CAE | CAF | SAG | 180.0° | 179.7° |
| CAD | CAE | CAF | CAI | 180.0° | 180.0° |
| CAD | CAE | SAG | CAH | 179.7° | 179.7° |
| CAA | CAF | CAE | CAI | 180.0° | 179.9° |
| CAA | CAF | CAE | SAG | 180.0° | 179.8° |
| CAA | CAF | CAI | CAJ | 0.2° | 0.1° |
| CAA | CAF | CAI | CAH | 179.6° | 179.6° |
| CAF | CAA | CAB | H8 | 180.0° | 180.0° |
| CAF | CAE | SAG | CAH | 0.3° | 0.0° |
| CAE | CAF | CAI | CAJ | 179.9° | 180.0° |
| CAE | CAF | CAI | CAH | 0.4° | 0.5° |
| CAF | CAE | CAD | H6 | 180.0° | 179.9° |
| CAE | CAF | CAA | H9 | 180.0° | 180.0° |
| SAG | CAE | CAF | CAI | 0.0° | 0.3° |
| CAE | SAG | CAH | CAI | 0.5° | 0.2° |
| CAE | SAG | CAH | OAK | 178.8° | 180.0° |
| SAG | CAE | CAD | H6 | 0.0° | 0.3° |
| CAF | CAI | CAH | SAG | 0.6° | 0.5° |
| CAF | CAI | CAJ | CAH | 179.7° | 179.4° |
| CAF | CAI | CAJ | CAX | 89.8° | 115.0° |
| CAF | CAI | CAJ | CAT | 89.8° | 64.7° |
| CAF | CAI | CAH | OAK | 178.7° | 179.8° |
| CAI | CAF | CAA | H9 | 0.0° | 0.1° |
| SAG | CAH | CAI | CAJ | 179.7° | 180.0° |
| SAG | CAH | CAI | OAK | 178.1° | 179.8° |
| SAG | CAH | OAK | CAL | 121.5° | 3.8° |
| CAI | CAJ | CAX | CAT | 179.6° | 179.7° |
| CAI | CAJ | CAX | CAW | 179.8° | 179.8° |
| CAI | CAJ | CAT | CAU | 179.8° | 180.0° |
| CAJ | CAI | CAH | OAK | 1.5° | 0.3° |
| CAI | CAJ | CAT | H10 | 0.2° | 0.1° |
| CAI | CAJ | CAX | H13 | 0.2° | 0.1° |
| CAH | CAI | CAJ | CAX | 89.9° | 65.5° |
| CAH | CAI | CAJ | CAT | 90.5° | 114.8° |
| CAI | CAH | OAK | CAL | 60.7° | 176.5° |
| CAJ | CAX | CAW | H13 | 180.0° | 179.7° |
| CAX | CAJ | CAT | CAU | 0.2° | 0.3° |
| CAJ | CAX | CAW | CAV | 0.1° | 0.6° |
| CAX | CAJ | CAT | H10 | 179.8° | 179.8° |
| CAJ | CAX | CAW | H12 | 179.9° | 179.7° |
| CAT | CAJ | CAX | CAW | 0.2° | 0.6° |
| CAJ | CAT | CAU | H10 | 180.0° | 179.9° |
| CAJ | CAT | CAU | CAV | 0.1° | 0.1° |
| CAJ | CAT | CAU | H11 | 179.9° | 179.9° |
| CAT | CAJ | CAX | H13 | 179.8° | 179.7° |
| CAX | CAW | CAV | H12 | 180.0° | 179.7° |
| CAX | CAW | CAV | CAU | 0.0° | 0.3° |
| CAX | CAW | CAV | FAY | 180.0° | 179.8° |
| CAT | CAU | CAV | CAW | 0.0° | 0.0° |
| CAT | CAU | CAV | H11 | 180.0° | 180.0° |
| CAT | CAU | CAV | FAY | 179.9° | 180.0° |
| CAW | CAV | CAU | FAY | 180.0° | 179.9° |
| CAW | CAV | CAU | H11 | 180.0° | 179.9° |
| CAV | CAW | CAX | H13 | 179.9° | 179.7° |
| CAH | OAK | CAL | CAM | 49.9° | 76.6° |
| CAH | OAK | CAL | CAQ | 131.9° | 103.3° |
| CAV | CAU | CAT | H10 | 179.9° | 180.0° |
| CAU | CAV | CAW | H12 | 180.0° | 180.0° |
| FAY | CAV | CAU | H11 | 0.1° | 0.0° |
| FAY | CAV | CAW | H12 | 0.0° | 0.1° |
| OAK | CAL | CAM | CAQ | 178.2° | 179.9° |
| OAK | CAL | CAM | CAN | 179.2° | 180.0° |
| OAK | CAL | CAQ | CAP | 179.2° | 180.0° |
| OAK | CAL | CAM | H1 | 0.8° | 0.4° |
| OAK | CAL | CAQ | H5 | 0.8° | 0.0° |
| CAL | CAM | CAN | H1 | 180.0° | 179.7° |
| CAL | CAM | CAN | CAO | 0.5° | 0.0° |
| CAM | CAL | CAQ | CAP | 1.0° | 0.1° |
| CAL | CAM | CAN | H2 | 179.6° | 180.0° |
| CAM | CAL | CAQ | H5 | 179.1° | 179.9° |
| CAN | CAM | CAL | CAQ | 1.0° | 0.1° |
| CAM | CAN | CAO | H2 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAP | 0.0° | 0.0° |
| CAM | CAN | CAO | OAR | 180.0° | 180.0° |
| CAL | CAQ | CAP | H5 | 180.0° | 180.0° |
| CAL | CAQ | CAP | CAO | 0.5° | 0.0° |
| CAQ | CAL | CAM | H1 | 179.0° | 179.7° |
| CAL | CAQ | CAP | H4 | 179.5° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.0° | 0.0° |
| CAN | CAO | CAP | OAR | 180.0° | 179.9° |
| CAO | CAN | CAM | H1 | 179.5° | 179.7° |
| CAN | CAO | OAR | H3 | 180.0° | 90.0° |
| CAN | CAO | CAP | H4 | 180.0° | 179.9° |
| CAQ | CAP | CAO | H4 | 180.0° | 180.0° |
| CAQ | CAP | CAO | OAR | 180.0° | 180.0° |
| CAP | CAO | CAN | H2 | 179.9° | 180.0° |
| CAP | CAO | OAR | H3 | 0.0° | 90.0° |
| CAO | CAP | CAQ | H5 | 179.6° | 180.0° |
| OAR | CAO | CAN | H2 | 0.1° | 0.0° |
| OAR | CAO | CAP | H4 | 0.0° | 0.0° |
| H1 | CAM | CAN | H2 | 0.4° | 0.3° |
| H4 | CAP | CAQ | H5 | 0.5° | 0.0° |
| H8 | CAB | CAA | H9 | 0.0° | 0.1° |
| H10 | CAT | CAU | H11 | 0.1° | 0.0° |
| H12 | CAW | CAX | H13 | 0.1° | 0.0° |
