9HZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAV | NAU | sing | 1.29Å | 1.33Å | Aromatic |
| NAV | CAW | doub | 1.31Å | 1.37Å | Aromatic |
| NAU | CAK | doub | 1.30Å | 1.35Å | Aromatic |
| CAX | CAW | sing | 1.51Å | 1.47Å | |
| CAW | NAL | sing | 1.36Å | 1.39Å | Aromatic |
| CBA | CBB | sing | 1.51Å | 1.47Å | |
| CBA | CAY | sing | 1.53Å | 1.53Å | |
| CAK | NAL | sing | 1.36Å | 1.37Å | Aromatic |
| CAK | CAJ | sing | 1.51Å | 1.50Å | |
| CBF | CBB | doub | 1.31Å | 1.36Å | |
| NAL | CAM | sing | 1.40Å | 1.42Å | |
| CAY | CAJ | sing | 1.53Å | 1.59Å | |
| CAY | CAZ | sing | 1.51Å | 1.51Å | |
| CAJ | NAI | sing | 1.47Å | 1.42Å | |
| CAM | CAO | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | OBD | doub | 1.21Å | 1.23Å | |
| CAZ | OBC | sing | 1.34Å | 1.38Å | |
| NAI | CAH | doub | 1.29Å | 1.30Å | |
| CAH | CAN | sing | 1.47Å | 1.48Å | |
| CAH | CAE | sing | 1.48Å | 1.49Å | |
| CAN | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| OBC | CBE | sing | 1.45Å | 1.44Å | |
| CAE | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | OAS | sing | 1.36Å | 1.39Å | |
| CAC | CAB | sing | 1.39Å | 1.37Å | Aromatic |
| CAB | CLA | sing | 1.74Å | 1.71Å | |
| OAS | CAT | sing | 1.43Å | 1.41Å | |
| CBE | HBF | sing | 1.09Å | 1.10Å | |
| CBE | HBE | sing | 1.09Å | 1.10Å | |
| CBE | HBG | sing | 1.09Å | 1.10Å | |
| CAY | HA0 | sing | 1.09Å | 1.10Å | |
| CBA | HBB | sing | 1.09Å | 1.10Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBB | HBC | sing | 1.08Å | 1.08Å | |
| CBF | HBH | sing | 1.08Å | 1.08Å | |
| CBF | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAX | HAZ | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAY | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HAU | sing | 1.09Å | 1.10Å | |
| CAT | HAV | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | 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) |
| NAU | NAV | CAW | 108.6° | 109.9° |
| NAV | NAU | CAK | 107.1° | 109.6° |
| NAV | CAW | CAX | 123.2° | 126.5° |
| NAV | CAW | NAL | 109.3° | 106.9° |
| NAU | CAK | NAL | 111.7° | 107.4° |
| NAU | CAK | CAJ | 122.8° | 127.5° |
| CAX | CAW | NAL | 127.5° | 126.6° |
| CAW | CAX | HAZ | 109.5° | 109.4° |
| CAW | CAX | HAX | 109.5° | 109.5° |
| CAW | CAX | HAY | 109.5° | 109.5° |
| CAW | NAL | CAK | 103.3° | 106.2° |
| CAW | NAL | CAM | 130.8° | 127.7° |
| CBB | CBA | CAY | 123.2° | 109.5° |
| CBA | CBB | CBF | 130.3° | 120.0° |
| CBB | CBA | HBB | 105.9° | 109.5° |
| CBB | CBA | HBA | 105.9° | 109.5° |
| CBA | CBB | HBC | 114.9° | 120.0° |
| CBA | CAY | CAJ | 113.9° | 109.5° |
| CBA | CAY | CAZ | 111.1° | 109.4° |
| CBA | CAY | HA0 | 108.8° | 109.5° |
| CAY | CBA | HBB | 105.9° | 109.4° |
| CAY | CBA | HBA | 106.0° | 109.5° |
| NAL | CAK | CAJ | 125.5° | 125.1° |
| CAK | NAL | CAM | 125.9° | 126.1° |
| CAK | CAJ | CAY | 120.1° | 109.8° |
| CAK | CAJ | NAI | 111.0° | 107.7° |
| CAK | CAJ | HAJ | 100.6° | 109.9° |
| CBF | CBB | HBC | 114.8° | 120.0° |
| CBB | CBF | HBH | 120.0° | 120.0° |
| CBB | CBF | H2 | 120.0° | 120.0° |
| NAL | CAM | CAO | 120.2° | 118.3° |
| NAL | CAM | CAN | 122.2° | 121.8° |
| CAJ | CAY | CAZ | 105.7° | 109.4° |
| CAY | CAJ | NAI | 118.9° | 109.8° |
| CAJ | CAY | HA0 | 108.1° | 109.5° |
| CAY | CAJ | HAJ | 100.0° | 109.8° |
| CAY | CAZ | OBD | 124.1° | 120.0° |
| CAY | CAZ | OBC | 119.3° | 120.0° |
| CAZ | CAY | HA0 | 109.1° | 109.5° |
| CAJ | NAI | CAH | 128.1° | 122.0° |
| NAI | CAJ | HAJ | 101.2° | 109.8° |
| CAO | CAM | CAN | 117.6° | 119.9° |
| CAM | CAO | CAP | 123.5° | 120.5° |
| CAM | CAO | HAO | 118.3° | 119.7° |
| CAM | CAN | CAH | 122.6° | 123.0° |
| CAM | CAN | CAR | 117.8° | 119.0° |
| CAO | CAP | CAQ | 119.4° | 119.9° |
| CAP | CAO | HAO | 118.3° | 119.8° |
| CAO | CAP | HAP | 120.3° | 120.0° |
| OBD | CAZ | OBC | 116.6° | 120.0° |
| CAZ | OBC | CBE | 114.9° | 117.0° |
| NAI | CAH | CAN | 124.7° | 127.9° |
| NAI | CAH | CAE | 111.4° | 116.1° |
| CAN | CAH | CAE | 123.8° | 116.0° |
| CAH | CAN | CAR | 119.6° | 118.0° |
| CAH | CAE | CAF | 119.8° | 120.2° |
| CAH | CAE | CAD | 126.1° | 120.1° |
| CAN | CAR | CAQ | 125.6° | 120.4° |
| CAN | CAR | HAR | 117.2° | 119.8° |
| CAP | CAQ | CAR | 116.2° | 120.2° |
| CAP | CAQ | OAS | 123.6° | 119.9° |
| CAQ | CAP | HAP | 120.3° | 120.1° |
| OBC | CBE | HBF | 109.5° | 109.5° |
| OBC | CBE | HBE | 109.5° | 109.5° |
| OBC | CBE | HBG | 109.5° | 109.4° |
| CAF | CAE | CAD | 114.1° | 119.7° |
| CAE | CAF | CAG | 124.1° | 119.9° |
| CAE | CAF | HAF | 118.0° | 120.1° |
| CAE | CAD | CAC | 123.1° | 119.9° |
| CAE | CAD | HAD | 118.4° | 120.0° |
| CAF | CAG | CAB | 119.0° | 120.2° |
| CAF | CAG | HAG | 120.5° | 119.9° |
| CAG | CAF | HAF | 118.0° | 120.1° |
| CAD | CAC | CAB | 120.2° | 120.1° |
| CAC | CAD | HAD | 118.5° | 120.1° |
| CAD | CAC | HAC | 119.9° | 119.9° |
| CAR | CAQ | OAS | 120.2° | 119.9° |
| CAQ | CAR | HAR | 117.2° | 119.8° |
| CAG | CAB | CAC | 119.6° | 120.2° |
| CAG | CAB | CLA | 120.4° | 120.0° |
| CAB | CAG | HAG | 120.5° | 119.9° |
| CAQ | OAS | CAT | 121.6° | 117.0° |
| CAC | CAB | CLA | 120.0° | 119.9° |
| CAB | CAC | HAC | 119.9° | 120.0° |
| OAS | CAT | HAT | 109.5° | 109.5° |
| OAS | CAT | HAU | 109.5° | 109.5° |
| OAS | CAT | HAV | 109.5° | 109.4° |
| HBF | CBE | HBE | 109.5° | 109.5° |
| HBF | CBE | HBG | 109.5° | 109.5° |
| HBE | CBE | HBG | 109.5° | 109.4° |
| HBB | CBA | HBA | 109.5° | 109.4° |
| HBH | CBF | H2 | 120.0° | 120.0° |
| HAZ | CAX | HAX | 109.4° | 109.5° |
| HAZ | CAX | HAY | 109.5° | 109.5° |
| HAX | CAX | HAY | 109.5° | 109.5° |
| HAT | CAT | HAU | 109.5° | 109.4° |
| HAT | CAT | HAV | 109.5° | 109.5° |
| HAU | CAT | HAV | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAU | NAV | CAW | CAX | 179.8° | 179.3° |
| NAU | NAV | CAW | NAL | 1.1° | 0.6° |
| NAV | NAU | CAK | NAL | 0.3° | 1.5° |
| NAV | NAU | CAK | CAJ | 177.0° | 177.5° |
| CAW | NAV | NAU | CAK | 0.5° | 0.5° |
| NAV | CAW | CAX | NAL | 178.9° | 179.9° |
| NAV | CAW | NAL | CAK | 1.2° | 1.5° |
| NAV | CAW | NAL | CAM | 179.6° | 176.9° |
| NAV | CAW | CAX | HAZ | 0.0° | 90.0° |
| NAV | CAW | CAX | HAX | 120.0° | 150.0° |
| NAV | CAW | CAX | HAY | 120.0° | 30.0° |
| NAU | CAK | NAL | CAW | 0.9° | 1.8° |
| NAU | CAK | NAL | CAJ | 176.6° | 179.0° |
| NAU | CAK | NAL | CAM | 179.4° | 176.6° |
| NAU | CAK | CAJ | CAY | 21.9° | 120.1° |
| NAU | CAK | CAJ | NAI | 123.3° | 120.3° |
| NAU | CAK | CAJ | HAJ | 130.2° | 0.8° |
| CAX | CAW | NAL | CAK | 179.7° | 178.5° |
| CAX | CAW | NAL | CAM | 1.3° | 3.2° |
| CAW | CAX | HAZ | HAX | 120.0° | 120.0° |
| CAW | CAX | HAZ | HAY | 120.0° | 120.0° |
| CAW | CAX | HAX | HAY | 120.0° | 120.0° |
| CAW | NAL | CAK | CAM | 178.5° | 178.4° |
| CAW | NAL | CAK | CAJ | 177.5° | 177.2° |
| CAW | NAL | CAM | CAO | 38.1° | 34.7° |
| CAW | NAL | CAM | CAN | 144.4° | 145.6° |
| NAL | CAW | CAX | HAZ | 178.9° | 90.1° |
| NAL | CAW | CAX | HAX | 58.9° | 29.9° |
| NAL | CAW | CAX | HAY | 61.1° | 149.9° |
| CBB | CBA | CAY | HBB | 121.9° | 120.0° |
| CBB | CBA | CAY | HBA | 121.9° | 120.1° |
| CBA | CBB | CBF | HBC | 180.0° | 180.0° |
| CBB | CBA | CAY | CAJ | 46.6° | 175.0° |
| CBB | CBA | CAY | CAZ | 72.6° | 65.0° |
| CBB | CBA | CAY | HA0 | 167.3° | 55.0° |
| CBB | CBA | HBB | HBA | 113.8° | 120.0° |
| CBA | CBB | CBF | HBH | 180.0° | 180.0° |
| CBA | CBB | CBF | H2 | 0.0° | 0.0° |
| CBA | CAY | CAJ | CAK | 55.2° | 65.9° |
| CAY | CBA | CBB | CBF | 107.1° | 125.0° |
| CBA | CAY | CAJ | CAZ | 122.2° | 120.0° |
| CBA | CAY | CAJ | HA0 | 121.1° | 120.1° |
| CBA | CAY | CAZ | HA0 | 120.0° | 120.0° |
| CBA | CAY | CAJ | NAI | 162.3° | 175.8° |
| CBA | CAY | CAZ | OBD | 105.3° | 60.7° |
| CBA | CAY | CAZ | OBC | 75.4° | 119.4° |
| CAY | CBA | HBB | HBA | 113.8° | 120.0° |
| CAY | CBA | CBB | HBC | 72.9° | 55.0° |
| CBA | CAY | CAJ | HAJ | 53.4° | 55.0° |
| NAL | CAK | CAJ | CAY | 161.8° | 61.0° |
| NAL | CAK | CAJ | NAI | 53.0° | 58.5° |
| CAK | NAL | CAM | CAO | 140.0° | 143.4° |
| CAK | NAL | CAM | CAN | 37.5° | 36.3° |
| NAL | CAK | CAJ | HAJ | 53.5° | 178.1° |
| CAJ | CAK | NAL | CAM | 3.9° | 4.4° |
| CAK | CAJ | CAY | NAI | 142.5° | 118.3° |
| CAK | CAJ | CAY | HAJ | 108.6° | 120.9° |
| CAK | CAJ | CAY | CAZ | 177.4° | 174.1° |
| CAK | CAJ | NAI | HAJ | 106.1° | 119.7° |
| CAK | CAJ | NAI | CAH | 48.0° | 61.2° |
| CAK | CAJ | CAY | HA0 | 65.8° | 54.2° |
| CBF | CBB | CBA | HBB | 14.8° | 5.0° |
| CBF | CBB | CBA | HBA | 131.0° | 115.0° |
| CBB | CBF | HBH | H2 | 180.0° | 180.0° |
| NAL | CAM | CAO | CAN | 177.6° | 179.7° |
| NAL | CAM | CAO | CAP | 179.0° | 178.3° |
| NAL | CAM | CAN | CAH | 1.5° | 4.6° |
| NAL | CAM | CAN | CAR | 178.5° | 177.5° |
| NAL | CAM | CAO | HAO | 1.0° | 1.6° |
| CAJ | CAY | CAZ | HA0 | 116.1° | 120.0° |
| CAY | CAJ | NAI | HAJ | 108.2° | 120.8° |
| CAJ | CAY | CAZ | OBD | 130.7° | 59.3° |
| CAJ | CAY | CAZ | OBC | 48.6° | 120.7° |
| CAY | CAJ | NAI | CAH | 166.4° | 58.3° |
| CAJ | CAY | CBA | HBB | 75.3° | 55.0° |
| CAJ | CAY | CBA | HBA | 168.5° | 64.9° |
| CAZ | CAY | CAJ | NAI | 40.1° | 55.9° |
| CAY | CAZ | OBD | OBC | 179.3° | 180.0° |
| CAY | CAZ | OBC | CBE | 179.2° | 179.0° |
| CAZ | CAY | CBA | HBB | 165.5° | 175.0° |
| CAZ | CAY | CBA | HBA | 49.3° | 55.0° |
| CAZ | CAY | CAJ | HAJ | 68.8° | 64.9° |
| CAJ | NAI | CAH | CAN | 12.9° | 1.3° |
| CAJ | NAI | CAH | CAE | 169.8° | 178.7° |
| NAI | CAJ | CAY | HA0 | 76.7° | 64.1° |
| CAM | CAO | CAP | HAO | 180.0° | 180.0° |
| CAO | CAM | CAN | CAH | 179.1° | 175.8° |
| CAO | CAM | CAN | CAR | 0.9° | 2.2° |
| CAM | CAO | CAP | CAQ | 1.1° | 0.1° |
| CAM | CAO | CAP | HAP | 178.9° | 179.8° |
| CAN | CAM | CAO | CAP | 1.3° | 1.3° |
| CAM | CAN | CAH | NAI | 45.5° | 41.8° |
| CAM | CAN | CAH | CAR | 180.0° | 177.9° |
| CAM | CAN | CAH | CAE | 137.5° | 138.1° |
| CAM | CAN | CAR | CAQ | 0.2° | 1.5° |
| CAN | CAM | CAO | HAO | 178.7° | 178.7° |
| CAM | CAN | CAR | HAR | 179.8° | 178.5° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.9° |
| CAO | CAP | CAQ | CAR | 0.3° | 0.8° |
| CAO | CAP | CAQ | OAS | 179.3° | 179.2° |
| OBD | CAZ | OBC | CBE | 0.2° | 0.9° |
| OBD | CAZ | CAY | HA0 | 14.6° | 179.3° |
| CAZ | OBC | CBE | HBF | 180.0° | 176.0° |
| CAZ | OBC | CBE | HBE | 60.0° | 64.0° |
| CAZ | OBC | CBE | HBG | 60.0° | 56.0° |
| OBC | CAZ | CAY | HA0 | 164.7° | 0.7° |
| NAI | CAH | CAN | CAE | 177.0° | 179.9° |
| NAI | CAH | CAN | CAR | 134.4° | 140.3° |
| NAI | CAH | CAE | CAF | 146.9° | 153.7° |
| NAI | CAH | CAE | CAD | 34.1° | 26.0° |
| CAH | NAI | CAJ | HAJ | 58.2° | 179.1° |
| CAN | CAH | CAE | CAF | 35.7° | 26.2° |
| CAN | CAH | CAE | CAD | 143.2° | 154.1° |
| CAH | CAN | CAR | CAQ | 179.7° | 176.5° |
| CAH | CAN | CAR | HAR | 0.3° | 3.5° |
| CAE | CAH | CAN | CAR | 42.6° | 39.8° |
| CAH | CAE | CAF | CAD | 179.1° | 179.7° |
| CAH | CAE | CAF | CAG | 179.8° | 179.7° |
| CAH | CAE | CAD | CAC | 179.3° | 180.0° |
| CAH | CAE | CAD | HAD | 0.7° | 0.1° |
| CAH | CAE | CAF | HAF | 0.1° | 0.0° |
| CAN | CAR | CAQ | CAP | 0.1° | 0.0° |
| CAN | CAR | CAQ | HAR | 180.0° | 180.0° |
| CAN | CAR | CAQ | OAS | 179.0° | 179.9° |
| CAP | CAQ | CAR | OAS | 179.0° | 179.9° |
| CAP | CAQ | OAS | CAT | 0.7° | 0.0° |
| CAQ | CAP | CAO | HAO | 178.9° | 179.8° |
| CAP | CAQ | CAR | HAR | 179.9° | 180.0° |
| OBC | CBE | HBF | HBE | 120.0° | 120.1° |
| OBC | CBE | HBF | HBG | 120.0° | 120.0° |
| OBC | CBE | HBE | HBG | 120.0° | 120.0° |
| CAE | CAF | CAG | HAF | 180.0° | 179.7° |
| CAF | CAE | CAD | CAC | 1.7° | 0.3° |
| CAE | CAF | CAG | CAB | 0.4° | 0.6° |
| CAF | CAE | CAD | HAD | 178.3° | 179.8° |
| CAE | CAF | CAG | HAG | 179.5° | 179.7° |
| CAD | CAE | CAF | CAG | 1.1° | 0.6° |
| CAE | CAD | CAC | HAD | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 1.7° | 0.0° |
| CAE | CAD | CAC | HAC | 178.3° | 180.0° |
| CAD | CAE | CAF | HAF | 178.9° | 179.7° |
| CAF | CAG | CAB | HAG | 180.0° | 179.7° |
| CAF | CAG | CAB | CAC | 0.3° | 0.3° |
| CAF | CAG | CAB | CLA | 179.4° | 179.7° |
| CAD | CAC | CAB | CAG | 0.9° | 0.0° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | CLA | 180.0° | 180.0° |
| CAR | CAQ | OAS | CAT | 179.7° | 180.0° |
| CAR | CAQ | CAP | HAP | 179.6° | 179.1° |
| CAG | CAB | CAC | CLA | 179.1° | 180.0° |
| CAG | CAB | CAC | HAC | 179.1° | 180.0° |
| CAB | CAG | CAF | HAF | 179.6° | 179.7° |
| OAS | CAQ | CAP | HAP | 0.6° | 0.8° |
| CAQ | OAS | CAT | HAT | 180.0° | 180.0° |
| CAQ | OAS | CAT | HAU | 60.0° | 60.0° |
| CAQ | OAS | CAT | HAV | 60.0° | 60.0° |
| OAS | CAQ | CAR | HAR | 1.0° | 0.0° |
| CAB | CAC | CAD | HAD | 178.3° | 179.9° |
| CAC | CAB | CAG | HAG | 179.7° | 180.0° |
| CLA | CAB | CAC | HAC | 0.0° | 0.0° |
| CLA | CAB | CAG | HAG | 0.6° | 0.0° |
| OAS | CAT | HAT | HAU | 120.0° | 120.0° |
| OAS | CAT | HAT | HAV | 120.0° | 120.0° |
| OAS | CAT | HAU | HAV | 120.0° | 120.0° |
| HBF | CBE | HBE | HBG | 120.0° | 120.0° |
| HA0 | CAY | CBA | HBB | 45.4° | 65.0° |
| HA0 | CAY | CBA | HBA | 70.8° | 175.0° |
| HA0 | CAY | CAJ | HAJ | 174.5° | 175.1° |
| HBB | CBA | CBB | HBC | 165.2° | 175.0° |
| HBA | CBA | CBB | HBC | 49.0° | 65.0° |
| HBC | CBB | CBF | HBH | 0.0° | 0.0° |
| HBC | CBB | CBF | H2 | 180.0° | 180.0° |
| HAZ | CAX | HAX | HAY | 120.0° | 120.0° |
| HAO | CAO | CAP | HAP | 1.1° | 0.2° |
| HAT | CAT | HAU | HAV | 120.0° | 120.0° |
| HAD | CAD | CAC | HAC | 1.7° | 0.1° |
| HAG | CAG | CAF | HAF | 0.4° | 0.0° |
