YJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | doub | 1.35Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.41Å | 1.34Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.39Å | Aromatic |
| NAH | CAB | doub | 1.31Å | 1.33Å | Aromatic |
| NAH | OAI | sing | 1.21Å | 1.33Å | Aromatic |
| CAB | CAC | sing | 1.48Å | 1.35Å | Aromatic |
| NAQ | CAP | doub | 1.32Å | 1.34Å | Aromatic |
| NAQ | NAT | sing | 1.28Å | 1.34Å | Aromatic |
| CAE | CAP | sing | 1.48Å | 1.36Å | |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| OAI | CAG | sing | 1.34Å | 1.34Å | Aromatic |
| CAP | NAR | sing | 1.36Å | 1.33Å | Aromatic |
| NAT | NAS | doub | 1.29Å | 1.34Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.36Å | Aromatic |
| CAC | CAG | doub | 1.39Å | 1.36Å | Aromatic |
| CAG | CAJ | sing | 1.47Å | 1.35Å | |
| NAR | NAS | sing | 1.41Å | 1.33Å | Aromatic |
| CAJ | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAO | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | OAZ | sing | 1.36Å | 1.36Å | |
| OAZ | CAU | sing | 1.36Å | 1.35Å | |
| NBA | CAU | doub | 1.32Å | 1.34Å | Aromatic |
| NBA | CAV | sing | 1.32Å | 1.39Å | Aromatic |
| CAU | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAY | CLBC | sing | 1.74Å | 1.72Å | |
| CAY | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CLBB | sing | 1.74Å | 1.64Å | |
| CAX | H1 | sing | 1.08Å | 1.08Å | |
| CAV | H2 | sing | 1.08Å | 1.08Å | |
| CAO | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| NAR | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 121.2° | 119.8° |
| CAA | CAF | CAE | 119.1° | 121.8° |
| CAF | CAA | H8 | 119.4° | 120.1° |
| CAA | CAF | H9 | 120.5° | 119.1° |
| CAA | CAB | NAH | 128.7° | 136.2° |
| CAA | CAB | CAC | 121.9° | 118.6° |
| CAB | CAA | H8 | 119.4° | 120.1° |
| CAF | CAE | CAP | 120.4° | 119.4° |
| CAF | CAE | CAD | 117.1° | 121.2° |
| CAE | CAF | H9 | 120.4° | 119.1° |
| CAB | NAH | OAI | 108.5° | 112.4° |
| NAH | CAB | CAC | 109.4° | 105.1° |
| NAH | OAI | CAG | 107.6° | 113.6° |
| CAB | CAC | CAD | 118.4° | 119.4° |
| CAB | CAC | CAG | 105.5° | 103.1° |
| CAP | NAQ | NAT | 107.8° | 110.5° |
| NAQ | CAP | CAE | 126.4° | 126.5° |
| NAQ | CAP | NAR | 108.2° | 107.0° |
| NAQ | NAT | NAS | 107.8° | 110.4° |
| CAP | CAE | CAD | 122.5° | 119.4° |
| CAE | CAP | NAR | 125.4° | 126.5° |
| CAE | CAD | CAC | 122.4° | 119.2° |
| CAE | CAD | H7 | 118.8° | 120.4° |
| OAI | CAG | CAC | 108.9° | 105.7° |
| OAI | CAG | CAJ | 119.1° | 127.1° |
| CAP | NAR | NAS | 108.3° | 105.2° |
| CAP | NAR | H10 | 125.8° | 127.4° |
| NAT | NAS | NAR | 107.9° | 106.9° |
| CAD | CAC | CAG | 136.1° | 137.5° |
| CAC | CAD | H7 | 118.8° | 120.4° |
| CAC | CAG | CAJ | 131.8° | 127.2° |
| CAG | CAJ | CAK | 117.8° | 120.2° |
| CAG | CAJ | CAO | 124.7° | 120.1° |
| NAS | NAR | H10 | 125.9° | 127.4° |
| CAK | CAJ | CAO | 117.4° | 119.7° |
| CAJ | CAK | CAL | 121.9° | 119.9° |
| CAJ | CAK | H6 | 119.0° | 120.0° |
| CAJ | CAO | CAN | 120.9° | 119.7° |
| CAJ | CAO | H3 | 119.5° | 120.1° |
| CAK | CAL | CAM | 119.8° | 120.2° |
| CAK | CAL | H5 | 120.1° | 119.9° |
| CAL | CAK | H6 | 119.0° | 120.0° |
| CAO | CAN | CAM | 120.9° | 120.1° |
| CAO | CAN | OAZ | 118.0° | 120.0° |
| CAN | CAO | H3 | 119.6° | 120.2° |
| CAL | CAM | CAN | 119.0° | 120.3° |
| CAL | CAM | H4 | 120.5° | 119.9° |
| CAM | CAL | H5 | 120.1° | 119.9° |
| CAM | CAN | OAZ | 121.1° | 119.9° |
| CAN | CAM | H4 | 120.5° | 119.9° |
| CAN | OAZ | CAU | 112.9° | 118.0° |
| OAZ | CAU | NBA | 121.8° | 119.6° |
| OAZ | CAU | CAY | 115.7° | 119.7° |
| CAU | NBA | CAV | 118.9° | 121.6° |
| NBA | CAU | CAY | 122.5° | 120.7° |
| NBA | CAV | CAW | 120.0° | 120.9° |
| NBA | CAV | H2 | 120.0° | 119.5° |
| CAU | CAY | CLBC | 120.4° | 120.5° |
| CAU | CAY | CAX | 119.3° | 119.1° |
| CAV | CAW | CAX | 121.0° | 119.3° |
| CAV | CAW | CLBB | 117.9° | 120.4° |
| CAW | CAV | H2 | 120.0° | 119.6° |
| CLBC | CAY | CAX | 120.4° | 120.5° |
| CAY | CAX | CAW | 118.4° | 118.5° |
| CAY | CAX | H1 | 120.8° | 120.7° |
| CAX | CAW | CLBB | 121.1° | 120.3° |
| CAW | CAX | H1 | 120.8° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | H8 | 180.0° | 179.5° |
| CAA | CAF | CAE | H9 | 180.0° | 179.5° |
| CAF | CAA | CAB | NAH | 179.5° | 180.0° |
| CAF | CAA | CAB | CAC | 0.2° | 0.0° |
| CAA | CAF | CAE | CAP | 178.5° | 180.0° |
| CAA | CAF | CAE | CAD | 0.2° | 0.7° |
| CAB | CAA | CAF | CAE | 0.0° | 0.5° |
| CAA | CAB | NAH | CAC | 179.7° | 180.0° |
| CAA | CAB | NAH | OAI | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.0° | 0.2° |
| CAA | CAB | CAC | CAG | 179.2° | 179.8° |
| CAB | CAA | CAF | H9 | 180.0° | 180.0° |
| CAF | CAE | CAP | NAQ | 2.3° | 179.7° |
| CAF | CAE | CAP | CAD | 178.2° | 179.4° |
| CAF | CAE | CAP | NAR | 174.5° | 0.0° |
| CAF | CAE | CAD | CAC | 0.3° | 0.4° |
| CAF | CAE | CAD | H7 | 179.7° | 179.5° |
| CAE | CAF | CAA | H8 | 180.0° | 180.0° |
| CAB | NAH | OAI | CAG | 0.7° | 0.2° |
| NAH | CAB | CAC | CAD | 179.7° | 179.8° |
| NAH | CAB | CAC | CAG | 1.1° | 0.2° |
| NAH | CAB | CAA | H8 | 0.5° | 0.4° |
| OAI | NAH | CAB | CAC | 0.3° | 0.0° |
| NAH | OAI | CAG | CAC | 1.3° | 0.3° |
| NAH | OAI | CAG | CAJ | 177.3° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.1° |
| CAB | CAC | CAG | OAI | 1.5° | 0.3° |
| CAB | CAC | CAD | CAG | 178.9° | 179.9° |
| CAB | CAC | CAG | CAJ | 176.7° | 180.0° |
| CAB | CAC | CAD | H7 | 179.8° | 180.0° |
| CAC | CAB | CAA | H8 | 179.9° | 179.6° |
| NAQ | CAP | CAE | NAR | 176.8° | 179.7° |
| NAQ | CAP | CAE | CAD | 179.4° | 0.3° |
| CAP | NAQ | NAT | NAS | 0.4° | 0.5° |
| NAQ | CAP | NAR | NAS | 1.0° | 0.3° |
| NAQ | CAP | NAR | H10 | 179.0° | 179.8° |
| NAT | NAQ | CAP | CAE | 178.2° | 179.8° |
| NAT | NAQ | CAP | NAR | 0.9° | 0.4° |
| NAQ | NAT | NAS | NAR | 0.2° | 0.3° |
| CAP | CAE | CAD | CAC | 178.7° | 179.7° |
| CAE | CAP | NAR | NAS | 178.4° | 180.0° |
| CAP | CAE | CAD | H7 | 1.4° | 0.2° |
| CAP | CAE | CAF | H9 | 1.5° | 0.5° |
| CAE | CAP | NAR | H10 | 1.7° | 0.1° |
| CAD | CAE | CAP | NAR | 3.7° | 179.4° |
| CAE | CAD | CAC | H7 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAG | 179.2° | 180.0° |
| CAD | CAE | CAF | H9 | 179.8° | 179.9° |
| OAI | CAG | CAC | CAD | 179.5° | 179.7° |
| OAI | CAG | CAC | CAJ | 175.2° | 179.7° |
| OAI | CAG | CAJ | CAK | 6.3° | 45.6° |
| OAI | CAG | CAJ | CAO | 177.8° | 133.5° |
| CAP | NAR | NAS | NAT | 0.8° | 0.0° |
| CAP | NAR | NAS | H10 | 180.0° | 179.9° |
| NAT | NAS | NAR | H10 | 179.2° | 179.9° |
| CAD | CAC | CAG | CAJ | 4.3° | 0.0° |
| CAC | CAG | CAJ | CAK | 168.6° | 134.0° |
| CAC | CAG | CAJ | CAO | 7.4° | 46.9° |
| CAG | CAC | CAD | H7 | 0.8° | 0.1° |
| CAG | CAJ | CAK | CAO | 176.3° | 179.1° |
| CAG | CAJ | CAK | CAL | 178.3° | 180.0° |
| CAG | CAJ | CAO | CAN | 177.9° | 179.7° |
| CAG | CAJ | CAO | H3 | 2.1° | 0.3° |
| CAG | CAJ | CAK | H6 | 1.7° | 0.6° |
| CAJ | CAK | CAL | H6 | 180.0° | 179.3° |
| CAK | CAJ | CAO | CAN | 1.9° | 0.6° |
| CAJ | CAK | CAL | CAM | 1.0° | 0.7° |
| CAK | CAJ | CAO | H3 | 178.1° | 179.4° |
| CAJ | CAK | CAL | H5 | 179.0° | 179.4° |
| CAO | CAJ | CAK | CAL | 2.0° | 0.9° |
| CAJ | CAO | CAN | H3 | 180.0° | 180.0° |
| CAJ | CAO | CAN | CAM | 0.7° | 0.0° |
| CAJ | CAO | CAN | OAZ | 180.0° | 179.7° |
| CAO | CAJ | CAK | H6 | 178.0° | 179.8° |
| CAK | CAL | CAM | H5 | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 0.3° | 0.1° |
| CAK | CAL | CAM | H4 | 179.7° | 180.0° |
| CAO | CAN | CAM | CAL | 0.4° | 0.2° |
| CAO | CAN | CAM | OAZ | 179.2° | 179.7° |
| CAO | CAN | OAZ | CAU | 106.0° | 76.2° |
| CAO | CAN | CAM | H4 | 179.6° | 179.7° |
| CAL | CAM | CAN | H4 | 180.0° | 179.9° |
| CAL | CAM | CAN | OAZ | 178.8° | 180.0° |
| CAM | CAL | CAK | H6 | 179.0° | 180.0° |
| CAM | CAN | OAZ | CAU | 74.8° | 104.1° |
| CAM | CAN | CAO | H3 | 179.3° | 180.0° |
| CAN | CAM | CAL | H5 | 179.7° | 180.0° |
| CAN | OAZ | CAU | NBA | 8.8° | 1.2° |
| CAN | OAZ | CAU | CAY | 171.0° | 178.1° |
| OAZ | CAN | CAO | H3 | 0.0° | 0.3° |
| OAZ | CAN | CAM | H4 | 1.2° | 0.0° |
| OAZ | CAU | NBA | CAY | 179.8° | 179.3° |
| OAZ | CAU | NBA | CAV | 179.7° | 180.0° |
| OAZ | CAU | CAY | CLBC | 0.4° | 0.3° |
| OAZ | CAU | CAY | CAX | 179.8° | 179.9° |
| CAU | NBA | CAV | CAW | 0.1° | 0.4° |
| NBA | CAU | CAY | CLBC | 179.8° | 179.6° |
| NBA | CAU | CAY | CAX | 0.0° | 0.6° |
| CAU | NBA | CAV | H2 | 180.0° | 179.6° |
| CAV | NBA | CAU | CAY | 0.1° | 0.7° |
| NBA | CAV | CAW | H2 | 180.0° | 180.0° |
| NBA | CAV | CAW | CAX | 0.0° | 0.1° |
| NBA | CAV | CAW | CLBB | 180.0° | 180.0° |
| CAU | CAY | CLBC | CAX | 179.8° | 179.8° |
| CAU | CAY | CAX | CAW | 0.0° | 0.3° |
| CAU | CAY | CAX | H1 | 180.0° | 179.7° |
| CAV | CAW | CAX | CAY | 0.0° | 0.0° |
| CAV | CAW | CAX | CLBB | 180.0° | 180.0° |
| CAV | CAW | CAX | H1 | 180.0° | 180.0° |
| CLBC | CAY | CAX | CAW | 179.8° | 179.9° |
| CLBC | CAY | CAX | H1 | 0.2° | 0.0° |
| CAY | CAX | CAW | H1 | 180.0° | 180.0° |
| CAY | CAX | CAW | CLBB | 180.0° | 180.0° |
| CAX | CAW | CAV | H2 | 180.0° | 180.0° |
| CLBB | CAW | CAX | H1 | 0.1° | 0.1° |
| CLBB | CAW | CAV | H2 | 0.0° | 0.0° |
| H4 | CAM | CAL | H5 | 0.3° | 0.1° |
| H5 | CAL | CAK | H6 | 1.0° | 0.1° |
| H8 | CAA | CAF | H9 | 0.0° | 0.5° |






