HZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBA | OAX | sing | 1.43Å | 1.40Å | |
| OAX | CAO | sing | 1.36Å | 1.40Å | |
| CBB | OAY | sing | 1.43Å | 1.40Å | |
| OAY | CAP | sing | 1.36Å | 1.40Å | |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| OAW | CAN | sing | 1.36Å | 1.40Å | |
| OAW | CAZ | sing | 1.43Å | 1.40Å | |
| CAN | CAM | doub | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.51Å | 1.53Å | |
| CAK | NAI | sing | 1.47Å | 1.46Å | |
| NAI | CAJ | doub | 1.31Å | 1.37Å | Aromatic |
| NAI | CAH | sing | 1.33Å | 1.39Å | Aromatic |
| CAJ | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | CAF | doub | 1.40Å | 1.38Å | Aromatic |
| CAA | CAB | sing | 1.36Å | 1.36Å | Aromatic |
| CAF | CAE | sing | 1.42Å | 1.35Å | Aromatic |
| CAH | CAG | doub | 1.36Å | 1.41Å | Aromatic |
| CAB | CAC | doub | 1.40Å | 1.35Å | Aromatic |
| CAE | CAG | sing | 1.41Å | 1.32Å | Aromatic |
| CAE | CAD | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | CAD | sing | 1.37Å | 1.38Å | Aromatic |
| CAC | OAR | sing | 1.36Å | 1.39Å | |
| OAR | SAS | sing | 1.52Å | 1.63Å | |
| NAV | SAS | sing | 1.66Å | 1.68Å | |
| OAU | SAS | doub | 1.42Å | 1.62Å | |
| SAS | OAT | doub | 1.42Å | 1.62Å | |
| CAZ | H1 | sing | 1.09Å | 1.10Å | |
| CAZ | H2 | sing | 1.09Å | 1.10Å | |
| CAZ | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CBA | H5 | sing | 1.09Å | 1.10Å | |
| CBA | H6 | sing | 1.09Å | 1.10Å | |
| CBA | H7 | sing | 1.09Å | 1.10Å | |
| CBB | H8 | sing | 1.09Å | 1.10Å | |
| CBB | H9 | sing | 1.09Å | 1.10Å | |
| CBB | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAA | H18 | sing | 1.08Å | 1.08Å | |
| CAB | H19 | sing | 1.08Å | 1.08Å | |
| NAV | H20 | sing | 0.97Å | 1.00Å | |
| NAV | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | OAX | CAO | 115.5° | 117.0° |
| OAX | CBA | H5 | 109.5° | 109.5° |
| OAX | CBA | H6 | 109.4° | 109.5° |
| OAX | CBA | H7 | 109.5° | 109.4° |
| OAX | CAO | CAP | 120.2° | 120.1° |
| OAX | CAO | CAN | 120.1° | 120.1° |
| CBB | OAY | CAP | 115.5° | 117.0° |
| OAY | CBB | H8 | 109.5° | 109.5° |
| OAY | CBB | H9 | 109.4° | 109.5° |
| OAY | CBB | H10 | 109.4° | 109.5° |
| OAY | CAP | CAO | 120.6° | 120.1° |
| OAY | CAP | CAQ | 119.6° | 120.0° |
| CAP | CAO | CAN | 119.7° | 119.8° |
| CAO | CAP | CAQ | 119.8° | 119.9° |
| CAO | CAN | OAW | 120.8° | 120.1° |
| CAO | CAN | CAM | 120.3° | 119.9° |
| CAP | CAQ | CAL | 120.2° | 120.1° |
| CAP | CAQ | H11 | 119.9° | 120.0° |
| CAN | OAW | CAZ | 114.8° | 117.0° |
| OAW | CAN | CAM | 118.8° | 120.0° |
| OAW | CAZ | H1 | 109.5° | 109.5° |
| OAW | CAZ | H2 | 109.5° | 109.5° |
| OAW | CAZ | H3 | 109.5° | 109.5° |
| CAN | CAM | CAL | 120.0° | 120.1° |
| CAN | CAM | H4 | 120.0° | 120.0° |
| CAQ | CAL | CAM | 119.9° | 120.2° |
| CAQ | CAL | CAK | 122.7° | 119.9° |
| CAL | CAQ | H11 | 119.9° | 119.9° |
| CAM | CAL | CAK | 117.4° | 119.9° |
| CAL | CAM | H4 | 120.0° | 120.0° |
| CAL | CAK | NAI | 118.8° | 109.4° |
| CAL | CAK | H12 | 107.1° | 109.5° |
| CAL | CAK | H13 | 107.1° | 109.5° |
| CAK | NAI | CAJ | 118.0° | 118.6° |
| CAK | NAI | CAH | 124.0° | 118.6° |
| NAI | CAK | H12 | 107.1° | 109.5° |
| NAI | CAK | H13 | 107.1° | 109.5° |
| CAJ | NAI | CAH | 117.9° | 122.8° |
| NAI | CAJ | CAF | 117.6° | 119.9° |
| NAI | CAJ | H14 | 121.2° | 120.1° |
| NAI | CAH | CAG | 122.5° | 121.9° |
| NAI | CAH | H15 | 118.7° | 119.1° |
| CAJ | CAF | CAA | 115.2° | 122.0° |
| CAJ | CAF | CAE | 123.8° | 118.6° |
| CAF | CAJ | H14 | 121.2° | 120.0° |
| CAF | CAA | CAB | 118.4° | 119.6° |
| CAA | CAF | CAE | 121.0° | 119.4° |
| CAF | CAA | H18 | 120.8° | 120.2° |
| CAA | CAB | CAC | 121.9° | 121.0° |
| CAB | CAA | H18 | 120.8° | 120.2° |
| CAA | CAB | H19 | 119.1° | 119.5° |
| CAF | CAE | CAG | 120.8° | 118.2° |
| CAF | CAE | CAD | 120.6° | 119.6° |
| CAH | CAG | CAE | 117.4° | 118.6° |
| CAG | CAH | H15 | 118.7° | 119.0° |
| CAH | CAG | H16 | 121.3° | 120.7° |
| CAB | CAC | CAD | 120.9° | 120.9° |
| CAB | CAC | OAR | 112.5° | 119.5° |
| CAC | CAB | H19 | 119.1° | 119.5° |
| CAG | CAE | CAD | 118.6° | 122.2° |
| CAE | CAG | H16 | 121.3° | 120.7° |
| CAE | CAD | CAC | 117.3° | 119.5° |
| CAE | CAD | H17 | 121.3° | 120.3° |
| CAD | CAC | OAR | 126.4° | 119.6° |
| CAC | CAD | H17 | 121.3° | 120.2° |
| CAC | OAR | SAS | 128.8° | 114.0° |
| OAR | SAS | NAV | 102.3° | 107.2° |
| OAR | SAS | OAU | 107.9° | 106.4° |
| OAR | SAS | OAT | 113.3° | 106.4° |
| NAV | SAS | OAU | 111.4° | 106.4° |
| NAV | SAS | OAT | 106.7° | 106.4° |
| SAS | NAV | H20 | 109.5° | 120.0° |
| SAS | NAV | H21 | 109.5° | 120.0° |
| OAU | SAS | OAT | 114.6° | 123.1° |
| H1 | CAZ | H2 | 109.4° | 109.5° |
| H1 | CAZ | H3 | 109.5° | 109.5° |
| H2 | CAZ | H3 | 109.5° | 109.5° |
| H5 | CBA | H6 | 109.5° | 109.5° |
| H5 | CBA | H7 | 109.5° | 109.5° |
| H6 | CBA | H7 | 109.5° | 109.5° |
| H8 | CBB | H9 | 109.5° | 109.5° |
| H8 | CBB | H10 | 109.5° | 109.4° |
| H9 | CBB | H10 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.4° | 109.5° |
| H20 | NAV | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | OAX | CAO | CAP | 67.6° | 90.0° |
| CBA | OAX | CAO | CAN | 113.2° | 90.0° |
| OAX | CBA | H5 | H6 | 120.0° | 120.0° |
| OAX | CBA | H5 | H7 | 120.0° | 120.0° |
| OAX | CBA | H6 | H7 | 120.0° | 120.0° |
| OAX | CAO | CAP | OAY | 0.9° | 0.1° |
| OAX | CAO | CAP | CAN | 179.3° | 180.0° |
| OAX | CAO | CAP | CAQ | 179.8° | 180.0° |
| OAX | CAO | CAN | OAW | 0.4° | 0.0° |
| OAX | CAO | CAN | CAM | 179.9° | 179.7° |
| CAO | OAX | CBA | H5 | 180.0° | 60.0° |
| CAO | OAX | CBA | H6 | 60.0° | 60.0° |
| CAO | OAX | CBA | H7 | 60.0° | 180.0° |
| CBB | OAY | CAP | CAO | 59.3° | 180.0° |
| CBB | OAY | CAP | CAQ | 121.4° | 0.1° |
| OAY | CBB | H8 | H9 | 120.0° | 120.0° |
| OAY | CBB | H8 | H10 | 120.0° | 120.0° |
| OAY | CBB | H9 | H10 | 120.0° | 120.0° |
| OAY | CAP | CAO | CAQ | 179.3° | 179.9° |
| OAY | CAP | CAO | CAN | 179.8° | 180.0° |
| OAY | CAP | CAQ | CAL | 179.6° | 179.8° |
| CAP | OAY | CBB | H8 | 180.0° | 60.1° |
| CAP | OAY | CBB | H9 | 60.0° | 60.0° |
| CAP | OAY | CBB | H10 | 60.0° | 180.0° |
| OAY | CAP | CAQ | H11 | 0.4° | 0.0° |
| CAP | CAO | CAN | OAW | 179.7° | 179.9° |
| CAP | CAO | CAN | CAM | 0.7° | 0.2° |
| CAO | CAP | CAQ | CAL | 0.3° | 0.3° |
| CAO | CAP | CAQ | H11 | 179.7° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.5° | 0.0° |
| CAO | CAN | OAW | CAM | 179.7° | 179.7° |
| CAO | CAN | OAW | CAZ | 85.4° | 179.7° |
| CAO | CAN | CAM | CAL | 0.6° | 0.2° |
| CAO | CAN | CAM | H4 | 179.4° | 179.7° |
| CAP | CAQ | CAL | H11 | 180.0° | 179.7° |
| CAP | CAQ | CAL | CAM | 0.2° | 0.3° |
| CAP | CAQ | CAL | CAK | 179.8° | 179.7° |
| OAW | CAN | CAM | CAL | 179.8° | 180.0° |
| CAN | OAW | CAZ | H1 | 180.0° | 60.0° |
| CAN | OAW | CAZ | H2 | 60.0° | 180.0° |
| CAN | OAW | CAZ | H3 | 60.0° | 60.0° |
| OAW | CAN | CAM | H4 | 0.3° | 0.0° |
| CAZ | OAW | CAN | CAM | 94.9° | 0.0° |
| OAW | CAZ | H1 | H2 | 120.0° | 120.0° |
| OAW | CAZ | H1 | H3 | 120.0° | 120.0° |
| OAW | CAZ | H2 | H3 | 120.0° | 120.0° |
| CAN | CAM | CAL | CAQ | 0.4° | 0.0° |
| CAN | CAM | CAL | H4 | 180.0° | 180.0° |
| CAN | CAM | CAL | CAK | 179.7° | 180.0° |
| CAQ | CAL | CAM | CAK | 180.0° | 180.0° |
| CAQ | CAL | CAK | NAI | 4.4° | 90.0° |
| CAQ | CAL | CAM | H4 | 179.6° | 180.0° |
| CAQ | CAL | CAK | H12 | 117.0° | 30.0° |
| CAQ | CAL | CAK | H13 | 125.7° | 150.0° |
| CAM | CAL | CAK | NAI | 175.7° | 90.0° |
| CAM | CAL | CAQ | H11 | 179.8° | 180.0° |
| CAM | CAL | CAK | H12 | 63.0° | 150.0° |
| CAM | CAL | CAK | H13 | 54.3° | 29.9° |
| CAL | CAK | NAI | H12 | 121.3° | 120.0° |
| CAL | CAK | NAI | H13 | 121.3° | 120.0° |
| CAL | CAK | NAI | CAJ | 123.1° | 90.0° |
| CAL | CAK | NAI | CAH | 60.4° | 90.3° |
| CAK | CAL | CAM | H4 | 0.3° | 0.0° |
| CAK | CAL | CAQ | H11 | 0.2° | 0.0° |
| CAL | CAK | H12 | H13 | 115.8° | 120.0° |
| CAK | NAI | CAJ | CAH | 176.7° | 179.7° |
| CAK | NAI | CAJ | CAF | 178.4° | 179.9° |
| CAK | NAI | CAH | CAG | 177.9° | 180.0° |
| NAI | CAK | H12 | H13 | 115.8° | 120.0° |
| CAK | NAI | CAJ | H14 | 1.6° | 0.1° |
| CAK | NAI | CAH | H15 | 2.1° | 0.0° |
| NAI | CAJ | CAF | H14 | 180.0° | 180.0° |
| NAI | CAJ | CAF | CAA | 179.5° | 180.0° |
| NAI | CAJ | CAF | CAE | 1.3° | 0.0° |
| CAJ | NAI | CAH | CAG | 1.3° | 0.3° |
| CAJ | NAI | CAK | H12 | 1.7° | 30.0° |
| CAJ | NAI | CAK | H13 | 115.6° | 150.0° |
| CAJ | NAI | CAH | H15 | 178.6° | 179.7° |
| CAH | NAI | CAJ | CAF | 1.7° | 0.3° |
| NAI | CAH | CAG | H15 | 180.0° | 180.0° |
| NAI | CAH | CAG | CAE | 0.4° | 0.1° |
| CAH | NAI | CAK | H12 | 178.2° | 149.7° |
| CAH | NAI | CAK | H13 | 60.9° | 29.7° |
| CAH | NAI | CAJ | H14 | 178.3° | 179.7° |
| NAI | CAH | CAG | H16 | 179.6° | 180.0° |
| CAJ | CAF | CAA | CAE | 179.2° | 180.0° |
| CAJ | CAF | CAA | CAB | 180.0° | 180.0° |
| CAJ | CAF | CAE | CAG | 0.3° | 0.2° |
| CAJ | CAF | CAE | CAD | 179.6° | 180.0° |
| CAJ | CAF | CAA | H18 | 0.1° | 0.0° |
| CAF | CAA | CAB | H18 | 180.0° | 180.0° |
| CAF | CAA | CAB | CAC | 1.5° | 0.3° |
| CAA | CAF | CAE | CAG | 179.5° | 179.8° |
| CAA | CAF | CAE | CAD | 0.5° | 0.0° |
| CAA | CAF | CAJ | H14 | 0.5° | 0.0° |
| CAF | CAA | CAB | H19 | 178.5° | 180.0° |
| CAB | CAA | CAF | CAE | 0.7° | 0.0° |
| CAA | CAB | CAC | H19 | 180.0° | 179.8° |
| CAA | CAB | CAC | CAD | 1.9° | 0.5° |
| CAA | CAB | CAC | OAR | 177.9° | 180.0° |
| CAF | CAE | CAG | CAH | 0.1° | 0.2° |
| CAF | CAE | CAG | CAD | 180.0° | 179.8° |
| CAF | CAE | CAD | CAC | 0.9° | 0.2° |
| CAE | CAF | CAJ | H14 | 178.7° | 180.0° |
| CAF | CAE | CAG | H16 | 179.9° | 179.7° |
| CAF | CAE | CAD | H17 | 179.1° | 179.8° |
| CAE | CAF | CAA | H18 | 179.3° | 180.0° |
| CAH | CAG | CAE | H16 | 180.0° | 179.9° |
| CAH | CAG | CAE | CAD | 179.9° | 180.0° |
| CAB | CAC | CAD | CAE | 1.6° | 0.5° |
| CAB | CAC | CAD | OAR | 175.3° | 179.5° |
| CAB | CAC | OAR | SAS | 120.7° | 90.1° |
| CAB | CAC | CAD | H17 | 178.4° | 179.5° |
| CAC | CAB | CAA | H18 | 178.6° | 179.7° |
| CAG | CAE | CAD | CAC | 179.1° | 180.0° |
| CAE | CAG | CAH | H15 | 179.6° | 179.9° |
| CAG | CAE | CAD | H17 | 0.9° | 0.0° |
| CAE | CAD | CAC | H17 | 180.0° | 180.0° |
| CAE | CAD | CAC | OAR | 176.9° | 180.0° |
| CAD | CAE | CAG | H16 | 0.1° | 0.1° |
| CAD | CAC | OAR | SAS | 63.6° | 89.4° |
| CAD | CAC | CAB | H19 | 178.1° | 179.7° |
| CAC | OAR | SAS | NAV | 160.2° | 75.0° |
| CAC | OAR | SAS | OAU | 82.1° | 38.6° |
| CAC | OAR | SAS | OAT | 45.8° | 171.5° |
| OAR | CAC | CAD | H17 | 3.1° | 0.0° |
| OAR | CAC | CAB | H19 | 2.1° | 0.2° |
| OAR | SAS | NAV | OAU | 115.1° | 113.5° |
| OAR | SAS | NAV | OAT | 119.2° | 113.5° |
| OAR | SAS | OAU | OAT | 127.2° | 122.9° |
| OAR | SAS | NAV | H20 | 180.0° | 150.0° |
| OAR | SAS | NAV | H21 | 60.0° | 30.0° |
| NAV | SAS | OAU | OAT | 121.3° | 123.0° |
| SAS | NAV | H20 | H21 | 120.0° | 180.0° |
| OAU | SAS | NAV | H20 | 65.0° | 96.5° |
| OAU | SAS | NAV | H21 | 55.1° | 83.5° |
| OAT | SAS | NAV | H20 | 60.8° | 36.5° |
| OAT | SAS | NAV | H21 | 179.2° | 143.5° |
| H1 | CAZ | H2 | H3 | 120.0° | 120.0° |
| H5 | CBA | H6 | H7 | 120.0° | 120.0° |
| H8 | CBB | H9 | H10 | 120.0° | 120.0° |
| H15 | CAH | CAG | H16 | 0.4° | 0.0° |
| H18 | CAA | CAB | H19 | 1.4° | 0.0° |
