9J2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBD | OBC | sing | 1.45Å | 1.43Å | |
| OBC | CAZ | sing | 1.34Å | 1.41Å | |
| CAZ | OBB | doub | 1.21Å | 1.22Å | |
| CAZ | CAV | sing | 1.51Å | 1.55Å | |
| CBA | CAV | sing | 1.53Å | 1.50Å | |
| CAV | CAJ | sing | 1.53Å | 1.47Å | |
| CAJ | NAI | sing | 1.47Å | 1.44Å | |
| CAJ | CAK | sing | 1.51Å | 1.53Å | |
| NAO | CAK | doub | 1.30Å | 1.39Å | Aromatic |
| NAO | NAP | sing | 1.29Å | 1.41Å | Aromatic |
| NAI | CAG | doub | 1.29Å | 1.44Å | |
| CAK | NAL | sing | 1.36Å | 1.40Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.37Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| NAP | CAQ | doub | 1.31Å | 1.31Å | Aromatic |
| CAG | CAA | sing | 1.48Å | 1.50Å | |
| CAG | CAN | sing | 1.46Å | 1.51Å | |
| CAC | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| NAL | CAQ | sing | 1.36Å | 1.39Å | Aromatic |
| NAL | CAM | sing | 1.40Å | 1.41Å | |
| CAA | CAF | doub | 1.40Å | 1.36Å | Aromatic |
| CAQ | CAY | sing | 1.51Å | 1.52Å | |
| CAN | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CLA | sing | 1.74Å | 1.74Å | |
| CAD | CAE | doub | 1.38Å | 1.37Å | Aromatic |
| CAU | CAT | doub | 1.37Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | OAW | sing | 1.36Å | 1.44Å | |
| OAW | CAX | sing | 1.43Å | 1.42Å | |
| CBD | HBE | sing | 1.09Å | 1.10Å | |
| CBD | HBF | sing | 1.09Å | 1.10Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBA | HBB | sing | 1.09Å | 1.10Å | |
| CBA | HBC | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAY | HA2 | sing | 1.09Å | 1.10Å | |
| CAY | HA0 | sing | 1.09Å | 1.10Å | |
| CAY | HA1 | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAX | HAZ | sing | 1.09Å | 1.10Å | |
| CAX | HAY | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBD | OBC | CAZ | 114.6° | 117.0° |
| OBC | CBD | HBE | 109.5° | 109.5° |
| OBC | CBD | HBF | 109.5° | 109.5° |
| OBC | CBD | HBD | 109.5° | 109.5° |
| OBC | CAZ | OBB | 121.7° | 120.0° |
| OBC | CAZ | CAV | 117.4° | 120.0° |
| OBB | CAZ | CAV | 120.9° | 120.0° |
| CAZ | CAV | CBA | 107.9° | 109.4° |
| CAZ | CAV | CAJ | 108.4° | 109.5° |
| CAZ | CAV | HAV | 109.4° | 109.5° |
| CBA | CAV | CAJ | 110.6° | 109.5° |
| CBA | CAV | HAV | 110.1° | 109.4° |
| CAV | CBA | HBA | 109.5° | 109.5° |
| CAV | CBA | HBB | 109.5° | 109.5° |
| CAV | CBA | HBC | 109.5° | 109.5° |
| CAV | CAJ | NAI | 113.1° | 109.8° |
| CAV | CAJ | CAK | 111.0° | 109.8° |
| CAJ | CAV | HAV | 110.5° | 109.5° |
| CAV | CAJ | HAJ | 109.0° | 109.8° |
| NAI | CAJ | CAK | 105.8° | 107.8° |
| CAJ | NAI | CAG | 115.5° | 121.9° |
| NAI | CAJ | HAJ | 109.5° | 109.8° |
| CAJ | CAK | NAO | 128.0° | 127.5° |
| CAJ | CAK | NAL | 121.7° | 125.1° |
| CAK | CAJ | HAJ | 108.3° | 109.9° |
| CAK | NAO | NAP | 106.6° | 109.6° |
| NAO | CAK | NAL | 110.3° | 107.4° |
| NAO | NAP | CAQ | 106.0° | 110.0° |
| NAI | CAG | CAA | 115.1° | 116.0° |
| NAI | CAG | CAN | 121.0° | 128.0° |
| CAK | NAL | CAQ | 102.1° | 106.2° |
| CAK | NAL | CAM | 121.5° | 126.0° |
| CAC | CAB | CAA | 119.3° | 119.9° |
| CAB | CAC | CAD | 119.5° | 120.1° |
| CAC | CAB | HAB | 120.4° | 120.1° |
| CAB | CAC | HAC | 120.3° | 119.9° |
| CAB | CAA | CAG | 121.1° | 120.2° |
| CAB | CAA | CAF | 121.1° | 119.7° |
| CAA | CAB | HAB | 120.4° | 120.0° |
| NAP | CAQ | NAL | 115.0° | 106.8° |
| NAP | CAQ | CAY | 121.6° | 126.6° |
| CAA | CAG | CAN | 123.7° | 116.1° |
| CAG | CAA | CAF | 117.8° | 120.1° |
| CAG | CAN | CAM | 125.4° | 123.0° |
| CAG | CAN | CAU | 112.4° | 118.0° |
| CAC | CAD | CLA | 120.9° | 119.9° |
| CAC | CAD | CAE | 121.0° | 120.3° |
| CAD | CAC | HAC | 120.3° | 120.0° |
| CAQ | NAL | CAM | 136.4° | 127.8° |
| NAL | CAQ | CAY | 123.5° | 126.6° |
| NAL | CAM | CAN | 120.6° | 121.8° |
| NAL | CAM | CAR | 121.9° | 118.3° |
| CAA | CAF | CAE | 119.6° | 119.8° |
| CAA | CAF | HAF | 120.2° | 120.1° |
| CAQ | CAY | HA2 | 109.5° | 109.4° |
| CAQ | CAY | HA0 | 109.5° | 109.5° |
| CAQ | CAY | HA1 | 109.5° | 109.5° |
| CAM | CAN | CAU | 122.1° | 119.0° |
| CAN | CAM | CAR | 117.4° | 119.9° |
| CAN | CAU | CAT | 119.0° | 120.6° |
| CAN | CAU | HAU | 120.5° | 119.7° |
| CAM | CAR | CAS | 122.1° | 120.4° |
| CAM | CAR | HAR | 118.9° | 119.9° |
| CLA | CAD | CAE | 118.0° | 119.8° |
| CAD | CAE | CAF | 119.4° | 120.1° |
| CAD | CAE | HAE | 120.3° | 120.0° |
| CAU | CAT | CAS | 121.0° | 120.1° |
| CAU | CAT | HAT | 119.5° | 119.9° |
| CAT | CAU | HAU | 120.5° | 119.7° |
| CAF | CAE | HAE | 120.3° | 119.9° |
| CAE | CAF | HAF | 120.2° | 120.1° |
| CAR | CAS | CAT | 118.3° | 119.9° |
| CAR | CAS | OAW | 119.4° | 120.1° |
| CAS | CAR | HAR | 118.9° | 119.7° |
| CAT | CAS | OAW | 122.4° | 120.0° |
| CAS | CAT | HAT | 119.5° | 119.9° |
| CAS | OAW | CAX | 117.6° | 117.0° |
| OAW | CAX | HAZ | 109.5° | 109.4° |
| OAW | CAX | HAY | 109.5° | 109.4° |
| OAW | CAX | HAX | 109.5° | 109.5° |
| HBE | CBD | HBF | 109.4° | 109.5° |
| HBE | CBD | HBD | 109.5° | 109.5° |
| HBF | CBD | HBD | 109.5° | 109.4° |
| HBA | CBA | HBB | 109.4° | 109.5° |
| HBA | CBA | HBC | 109.5° | 109.4° |
| HBB | CBA | HBC | 109.5° | 109.5° |
| HA2 | CAY | HA0 | 109.5° | 109.4° |
| HA2 | CAY | HA1 | 109.5° | 109.5° |
| HA0 | CAY | HA1 | 109.5° | 109.6° |
| HAZ | CAX | HAY | 109.5° | 109.5° |
| HAZ | CAX | HAX | 109.5° | 109.5° |
| HAY | CAX | HAX | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBD | OBC | CAZ | OBB | 6.8° | 6.6° |
| CBD | OBC | CAZ | CAV | 172.1° | 173.4° |
| OBC | CBD | HBE | HBF | 120.0° | 120.1° |
| OBC | CBD | HBE | HBD | 120.0° | 120.0° |
| OBC | CBD | HBF | HBD | 120.0° | 120.0° |
| OBC | CAZ | OBB | CAV | 178.8° | 180.0° |
| OBC | CAZ | CAV | CBA | 88.6° | 96.8° |
| OBC | CAZ | CAV | CAJ | 151.6° | 143.1° |
| CAZ | OBC | CBD | HBE | 180.0° | 56.3° |
| CAZ | OBC | CBD | HBF | 60.0° | 176.3° |
| CAZ | OBC | CBD | HBD | 60.0° | 63.7° |
| OBC | CAZ | CAV | HAV | 31.1° | 23.1° |
| OBB | CAZ | CAV | CBA | 90.3° | 83.2° |
| OBB | CAZ | CAV | CAJ | 29.5° | 36.9° |
| OBB | CAZ | CAV | HAV | 150.0° | 156.9° |
| CAZ | CAV | CBA | CAJ | 118.4° | 120.0° |
| CAZ | CAV | CBA | HAV | 119.3° | 119.9° |
| CAZ | CAV | CAJ | HAV | 119.8° | 120.0° |
| CAZ | CAV | CAJ | NAI | 57.9° | 54.8° |
| CAZ | CAV | CAJ | CAK | 176.6° | 173.1° |
| CAZ | CAV | CBA | HBA | 180.0° | 60.1° |
| CAZ | CAV | CBA | HBB | 60.0° | 60.0° |
| CAZ | CAV | CBA | HBC | 60.0° | 180.0° |
| CAZ | CAV | CAJ | HAJ | 64.2° | 66.0° |
| CBA | CAV | CAJ | HAV | 122.1° | 120.0° |
| CBA | CAV | CAJ | NAI | 175.9° | 174.8° |
| CBA | CAV | CAJ | CAK | 65.3° | 66.9° |
| CAV | CBA | HBA | HBB | 120.0° | 120.0° |
| CAV | CBA | HBA | HBC | 120.0° | 120.0° |
| CAV | CBA | HBB | HBC | 120.0° | 120.0° |
| CBA | CAV | CAJ | HAJ | 53.9° | 54.0° |
| CAV | CAJ | NAI | CAK | 121.7° | 119.6° |
| CAV | CAJ | NAI | HAJ | 121.8° | 120.8° |
| CAV | CAJ | CAK | HAJ | 119.6° | 120.9° |
| CAV | CAJ | CAK | NAO | 19.4° | 119.4° |
| CAV | CAJ | NAI | CAG | 170.4° | 58.5° |
| CAV | CAJ | CAK | NAL | 160.5° | 60.9° |
| CAJ | CAV | CBA | HBA | 61.6° | 60.0° |
| CAJ | CAV | CBA | HBB | 58.3° | 180.0° |
| CAJ | CAV | CBA | HBC | 178.4° | 59.9° |
| NAI | CAJ | CAK | HAJ | 117.3° | 119.6° |
| NAI | CAJ | CAK | NAO | 103.7° | 121.1° |
| NAI | CAJ | CAK | NAL | 76.4° | 58.6° |
| CAJ | NAI | CAG | CAA | 179.3° | 178.8° |
| CAJ | NAI | CAG | CAN | 4.1° | 1.2° |
| NAI | CAJ | CAV | HAV | 61.9° | 65.3° |
| CAJ | CAK | NAO | NAL | 179.9° | 179.8° |
| CAJ | CAK | NAO | NAP | 179.5° | 178.0° |
| CAK | CAJ | NAI | CAG | 67.8° | 61.1° |
| CAJ | CAK | NAL | CAQ | 179.7° | 177.5° |
| CAJ | CAK | NAL | CAM | 0.8° | 4.2° |
| CAK | CAJ | CAV | HAV | 56.8° | 53.0° |
| CAK | NAO | NAP | CAQ | 0.5° | 0.6° |
| NAO | CAK | NAL | CAQ | 0.4° | 2.2° |
| NAO | CAK | NAL | CAM | 179.3° | 176.1° |
| NAO | CAK | CAJ | HAJ | 139.0° | 1.5° |
| NAP | NAO | CAK | NAL | 0.6° | 1.8° |
| NAO | NAP | CAQ | NAL | 0.3° | 0.8° |
| NAO | NAP | CAQ | CAY | 180.0° | 179.2° |
| NAI | CAG | CAA | CAB | 34.1° | 27.5° |
| NAI | CAG | CAA | CAN | 175.0° | 179.9° |
| NAI | CAG | CAA | CAF | 147.1° | 152.2° |
| NAI | CAG | CAN | CAM | 50.1° | 41.9° |
| NAI | CAG | CAN | CAU | 134.5° | 140.2° |
| CAG | NAI | CAJ | HAJ | 48.6° | 179.3° |
| CAK | NAL | CAQ | NAP | 0.1° | 1.9° |
| CAK | NAL | CAQ | CAM | 178.6° | 178.3° |
| CAK | NAL | CAQ | CAY | 179.7° | 178.1° |
| CAK | NAL | CAM | CAN | 41.2° | 36.2° |
| CAK | NAL | CAM | CAR | 140.0° | 143.5° |
| NAL | CAK | CAJ | HAJ | 40.9° | 178.2° |
| CAC | CAB | CAA | HAB | 180.0° | 180.0° |
| CAC | CAB | CAA | CAG | 179.1° | 180.0° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAC | CAB | CAA | CAF | 0.3° | 0.3° |
| CAB | CAC | CAD | CLA | 179.6° | 180.0° |
| CAB | CAC | CAD | CAE | 0.5° | 0.0° |
| CAB | CAA | CAG | CAF | 178.8° | 179.7° |
| CAB | CAA | CAG | CAN | 141.0° | 152.4° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAB | CAA | CAF | CAE | 0.4° | 0.6° |
| CAA | CAB | CAC | HAC | 179.9° | 180.0° |
| CAB | CAA | CAF | HAF | 179.6° | 179.7° |
| NAP | CAQ | NAL | CAY | 179.8° | 180.0° |
| NAP | CAQ | NAL | CAM | 178.7° | 176.4° |
| NAP | CAQ | CAY | HA2 | 0.0° | 90.0° |
| NAP | CAQ | CAY | HA0 | 120.0° | 150.0° |
| NAP | CAQ | CAY | HA1 | 120.0° | 29.9° |
| CAA | CAG | CAN | CAM | 135.2° | 138.2° |
| CAA | CAG | CAN | CAU | 40.3° | 39.7° |
| CAG | CAA | CAF | CAE | 179.2° | 179.7° |
| CAG | CAA | CAB | HAB | 0.9° | 0.0° |
| CAG | CAA | CAF | HAF | 0.7° | 0.0° |
| CAG | CAN | CAM | NAL | 2.9° | 4.6° |
| CAN | CAG | CAA | CAF | 37.9° | 27.9° |
| CAG | CAN | CAM | CAU | 175.1° | 177.9° |
| CAG | CAN | CAM | CAR | 176.0° | 175.8° |
| CAG | CAN | CAU | CAT | 176.6° | 176.5° |
| CAG | CAN | CAU | HAU | 3.4° | 3.5° |
| CAC | CAD | CLA | CAE | 179.9° | 179.9° |
| CAC | CAD | CAE | CAF | 0.4° | 0.2° |
| CAD | CAC | CAB | HAB | 179.9° | 180.0° |
| CAC | CAD | CAE | HAE | 179.6° | 180.0° |
| CAQ | NAL | CAM | CAN | 137.2° | 145.8° |
| CAQ | NAL | CAM | CAR | 41.6° | 34.5° |
| NAL | CAQ | CAY | HA2 | 179.7° | 90.0° |
| NAL | CAQ | CAY | HA0 | 59.8° | 29.9° |
| NAL | CAQ | CAY | HA1 | 60.3° | 150.0° |
| CAM | NAL | CAQ | CAY | 1.1° | 3.6° |
| NAL | CAM | CAN | CAR | 178.9° | 179.7° |
| NAL | CAM | CAN | CAU | 177.9° | 177.6° |
| NAL | CAM | CAR | CAS | 178.2° | 178.3° |
| NAL | CAM | CAR | HAR | 1.8° | 1.7° |
| CAA | CAF | CAE | CAD | 0.0° | 0.5° |
| CAA | CAF | CAE | HAF | 180.0° | 179.7° |
| CAF | CAA | CAB | HAB | 179.7° | 179.7° |
| CAA | CAF | CAE | HAE | 180.0° | 179.7° |
| CAQ | CAY | HA2 | HA0 | 120.0° | 119.9° |
| CAQ | CAY | HA2 | HA1 | 120.0° | 120.0° |
| CAQ | CAY | HA0 | HA1 | 120.0° | 120.1° |
| CAM | CAN | CAU | CAT | 1.0° | 1.4° |
| CAN | CAM | CAR | CAS | 0.6° | 1.4° |
| CAN | CAM | CAR | HAR | 179.3° | 178.7° |
| CAM | CAN | CAU | HAU | 179.1° | 178.5° |
| CAU | CAN | CAM | CAR | 0.9° | 2.1° |
| CAN | CAU | CAT | HAU | 180.0° | 180.0° |
| CAN | CAU | CAT | CAS | 0.7° | 0.0° |
| CAN | CAU | CAT | HAT | 179.3° | 180.0° |
| CAM | CAR | CAS | HAR | 180.0° | 180.0° |
| CAM | CAR | CAS | CAT | 0.4° | 0.1° |
| CAM | CAR | CAS | OAW | 179.5° | 179.9° |
| CLA | CAD | CAE | CAF | 179.7° | 179.7° |
| CLA | CAD | CAC | HAC | 0.4° | 0.1° |
| CLA | CAD | CAE | HAE | 0.3° | 0.1° |
| CAD | CAE | CAF | HAE | 180.0° | 179.7° |
| CAE | CAD | CAC | HAC | 179.5° | 180.0° |
| CAD | CAE | CAF | HAF | 179.9° | 179.8° |
| CAU | CAT | CAS | CAR | 0.4° | 0.8° |
| CAU | CAT | CAS | HAT | 180.0° | 180.0° |
| CAU | CAT | CAS | OAW | 179.5° | 179.2° |
| CAR | CAS | CAT | OAW | 179.9° | 180.0° |
| CAR | CAS | OAW | CAX | 171.2° | 180.0° |
| CAR | CAS | CAT | HAT | 179.6° | 179.3° |
| CAT | CAS | OAW | CAX | 8.9° | 0.0° |
| CAT | CAS | CAR | HAR | 179.6° | 179.9° |
| CAS | CAT | CAU | HAU | 179.4° | 180.0° |
| OAW | CAS | CAR | HAR | 0.5° | 0.1° |
| CAS | OAW | CAX | HAZ | 180.0° | 180.0° |
| CAS | OAW | CAX | HAY | 60.0° | 60.0° |
| CAS | OAW | CAX | HAX | 60.0° | 60.0° |
| OAW | CAS | CAT | HAT | 0.5° | 0.7° |
| OAW | CAX | HAZ | HAY | 120.0° | 120.0° |
| OAW | CAX | HAZ | HAX | 120.0° | 120.0° |
| OAW | CAX | HAY | HAX | 120.0° | 120.0° |
| HBE | CBD | HBF | HBD | 120.0° | 120.0° |
| HAV | CAV | CBA | HBA | 60.7° | 180.0° |
| HAV | CAV | CBA | HBB | 179.3° | 60.0° |
| HAV | CAV | CBA | HBC | 59.3° | 60.1° |
| HAV | CAV | CAJ | HAJ | 176.0° | 174.0° |
| HBA | CBA | HBB | HBC | 120.0° | 119.9° |
| HA2 | CAY | HA0 | HA1 | 120.0° | 120.0° |
| HAZ | CAX | HAY | HAX | 120.0° | 120.0° |
| HAT | CAT | CAU | HAU | 0.6° | 0.1° |
| HAB | CAB | CAC | HAC | 0.1° | 0.0° |
| HAE | CAE | CAF | HAF | 0.1° | 0.0° |
