ZXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAX | sing | 1.53Å | 1.53Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | CAX | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| OAC | SAY | doub | 1.42Å | 1.50Å | |
| OAD | SAY | doub | 1.42Å | 1.50Å | |
| OAE | CAT | sing | 1.36Å | 1.36Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| SAY | OAF | sing | 1.52Å | 1.43Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| BRAG | CAP | sing | 1.89Å | 1.90Å | |
| BRAH | CAQ | sing | 1.89Å | 1.90Å | |
| CAR | BRAI | sing | 1.89Å | 1.90Å | |
| CAS | BRAJ | sing | 1.89Å | 1.90Å | |
| CAP | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAQ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAV | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAV | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAW | OAO | sing | 1.36Å | 1.38Å | |
| OAO | SAY | sing | 1.52Å | 1.45Å | |
| CAT | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAR | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAS | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAX | sing | 1.51Å | 1.53Å | |
| CAX | CAV | sing | 1.51Å | 1.53Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAA | HAA | 109.5° | 109.5° |
| CAX | CAA | HAAA | 109.4° | 109.5° |
| CAX | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAX | CAB | 110.1° | 109.5° |
| CAA | CAX | CAU | 109.4° | 109.5° |
| CAA | CAX | CAV | 109.9° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| CAX | CAB | HAB | 109.5° | 109.5° |
| CAX | CAB | HABA | 109.4° | 109.4° |
| CAX | CAB | HABB | 109.4° | 109.4° |
| CAB | CAX | CAU | 107.9° | 109.5° |
| CAB | CAX | CAV | 108.8° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| OAC | SAY | OAD | 111.0° | 123.2° |
| OAC | SAY | OAF | 107.5° | 106.4° |
| OAC | SAY | OAO | 110.6° | 106.4° |
| OAD | SAY | OAF | 107.9° | 106.4° |
| OAD | SAY | OAO | 111.1° | 106.4° |
| CAT | OAE | HOAE | 109.5° | 114.1° |
| OAE | CAT | CAP | 119.6° | 120.1° |
| OAE | CAT | CAQ | 120.2° | 120.0° |
| SAY | OAF | HOAF | 109.5° | 114.0° |
| OAF | SAY | OAO | 108.6° | 107.2° |
| BRAG | CAP | CAK | 118.9° | 120.0° |
| BRAG | CAP | CAT | 121.1° | 120.1° |
| BRAH | CAQ | CAL | 120.2° | 120.1° |
| BRAH | CAQ | CAT | 120.1° | 120.0° |
| BRAI | CAR | CAM | 114.9° | 120.0° |
| BRAI | CAR | CAW | 125.6° | 120.0° |
| BRAJ | CAS | CAN | 117.1° | 120.1° |
| BRAJ | CAS | CAW | 121.4° | 120.0° |
| CAP | CAK | CAU | 120.0° | 120.1° |
| CAP | CAK | HAK | 120.0° | 120.0° |
| CAK | CAP | CAT | 120.1° | 119.9° |
| CAU | CAK | HAK | 120.0° | 120.0° |
| CAK | CAU | CAL | 120.3° | 120.1° |
| CAK | CAU | CAX | 118.8° | 119.9° |
| CAQ | CAL | CAU | 119.8° | 120.1° |
| CAQ | CAL | HAL | 120.1° | 119.9° |
| CAL | CAQ | CAT | 119.7° | 119.9° |
| CAU | CAL | HAL | 120.1° | 120.0° |
| CAL | CAU | CAX | 120.8° | 120.0° |
| CAV | CAM | CAR | 121.7° | 120.0° |
| CAV | CAM | HAM | 119.1° | 120.0° |
| CAM | CAV | CAN | 119.0° | 120.1° |
| CAM | CAV | CAX | 120.7° | 119.9° |
| CAR | CAM | HAM | 119.2° | 120.0° |
| CAM | CAR | CAW | 119.5° | 120.0° |
| CAV | CAN | CAS | 120.3° | 120.1° |
| CAV | CAN | HAN | 119.9° | 120.0° |
| CAN | CAV | CAX | 120.3° | 119.9° |
| CAS | CAN | HAN | 119.9° | 119.9° |
| CAN | CAS | CAW | 121.5° | 119.9° |
| CAW | OAO | SAY | 122.4° | 114.0° |
| OAO | CAW | CAR | 126.8° | 120.1° |
| OAO | CAW | CAS | 115.2° | 120.1° |
| CAP | CAT | CAQ | 120.1° | 119.9° |
| CAR | CAW | CAS | 118.0° | 119.9° |
| CAU | CAX | CAV | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAX | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAX | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAX | CAB | CAU | 119.3° | 120.0° |
| CAA | CAX | CAB | CAV | 120.4° | 120.0° |
| CAA | CAX | CAB | HAB | 180.0° | 60.0° |
| CAA | CAX | CAB | HABA | 60.0° | 180.0° |
| CAA | CAX | CAB | HABB | 60.0° | 60.0° |
| CAA | CAX | CAU | CAK | 32.3° | 5.4° |
| CAA | CAX | CAU | CAL | 147.0° | 174.7° |
| CAA | CAX | CAV | CAM | 19.1° | 116.7° |
| CAA | CAX | CAV | CAN | 161.5° | 63.4° |
| CAA | CAX | CAU | CAV | 121.2° | 120.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAX | CAB | 180.0° | 60.0° |
| HAA | CAA | CAX | CAU | 61.6° | 180.0° |
| HAA | CAA | CAX | CAV | 60.2° | 60.0° |
| HAAA | CAA | CAX | CAB | 60.0° | 180.0° |
| HAAA | CAA | CAX | CAU | 178.4° | 60.0° |
| HAAA | CAA | CAX | CAV | 59.8° | 60.0° |
| HAAB | CAA | CAX | CAB | 60.0° | 60.0° |
| HAAB | CAA | CAX | CAU | 58.4° | 60.0° |
| HAAB | CAA | CAX | CAV | 179.8° | 180.0° |
| CAX | CAB | HAB | HABA | 120.0° | 120.0° |
| CAX | CAB | HAB | HABB | 120.0° | 120.0° |
| CAX | CAB | HABA | HABB | 120.0° | 119.9° |
| CAB | CAX | CAU | CAK | 152.0° | 114.6° |
| CAB | CAX | CAU | CAL | 27.3° | 65.3° |
| CAB | CAX | CAV | CAM | 101.5° | 3.3° |
| CAB | CAX | CAV | CAN | 78.0° | 176.6° |
| CAB | CAX | CAU | CAV | 119.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | CAX | CAU | 60.7° | 60.0° |
| HAB | CAB | CAX | CAV | 59.6° | 180.0° |
| HABA | CAB | CAX | CAU | 59.3° | 60.0° |
| HABA | CAB | CAX | CAV | 179.5° | 60.0° |
| HABB | CAB | CAX | CAU | 179.3° | 180.0° |
| HABB | CAB | CAX | CAV | 60.4° | 60.0° |
| OAC | SAY | OAD | OAF | 117.5° | 122.9° |
| OAC | SAY | OAD | OAO | 123.5° | 123.0° |
| OAC | SAY | OAF | OAO | 119.7° | 113.5° |
| OAC | SAY | OAF | HOAF | 0.0° | 66.5° |
| OAC | SAY | OAO | CAW | 58.6° | 38.5° |
| OAD | SAY | OAF | OAO | 120.5° | 113.5° |
| OAD | SAY | OAF | HOAF | 119.8° | 66.4° |
| OAD | SAY | OAO | CAW | 65.1° | 171.5° |
| OAE | CAT | CAP | BRAG | 0.2° | 0.1° |
| OAE | CAT | CAQ | BRAH | 0.0° | 0.4° |
| OAE | CAT | CAP | CAK | 179.9° | 180.0° |
| OAE | CAT | CAQ | CAL | 180.0° | 179.7° |
| OAE | CAT | CAP | CAQ | 180.0° | 179.9° |
| HOAE | OAE | CAT | CAP | 180.0° | 90.0° |
| HOAE | OAE | CAT | CAQ | 0.0° | 89.9° |
| OAF | SAY | OAO | CAW | 176.4° | 75.0° |
| HOAF | OAF | SAY | OAO | 119.7° | 180.0° |
| BRAG | CAP | CAK | CAT | 179.8° | 179.9° |
| BRAG | CAP | CAK | CAU | 180.0° | 180.0° |
| BRAG | CAP | CAK | HAK | 0.0° | 0.4° |
| BRAG | CAP | CAT | CAQ | 179.8° | 180.0° |
| BRAH | CAQ | CAL | CAT | 179.9° | 179.3° |
| BRAH | CAQ | CAL | CAU | 179.7° | 180.0° |
| BRAH | CAQ | CAL | HAL | 0.3° | 0.6° |
| BRAH | CAQ | CAT | CAP | 180.0° | 179.7° |
| BRAI | CAR | CAM | CAV | 179.7° | 179.8° |
| BRAI | CAR | CAM | CAW | 179.9° | 180.0° |
| BRAI | CAR | CAM | HAM | 0.3° | 0.1° |
| BRAI | CAR | CAW | OAO | 0.1° | 0.0° |
| BRAI | CAR | CAW | CAS | 180.0° | 180.0° |
| BRAJ | CAS | CAN | CAV | 179.9° | 179.2° |
| BRAJ | CAS | CAN | CAW | 179.8° | 180.0° |
| BRAJ | CAS | CAN | HAN | 0.1° | 0.1° |
| BRAJ | CAS | CAW | OAO | 0.0° | 0.5° |
| BRAJ | CAS | CAW | CAR | 179.9° | 179.5° |
| CAP | CAK | CAU | HAK | 180.0° | 179.6° |
| CAP | CAK | CAU | CAL | 0.4° | 0.4° |
| CAK | CAP | CAT | CAQ | 0.0° | 0.1° |
| CAP | CAK | CAU | CAX | 179.7° | 179.7° |
| CAK | CAU | CAL | CAQ | 0.4° | 0.7° |
| CAK | CAU | CAL | CAX | 179.3° | 179.9° |
| CAK | CAU | CAL | HAL | 179.6° | 180.0° |
| CAU | CAK | CAP | CAT | 0.2° | 0.1° |
| CAK | CAU | CAX | CAV | 89.0° | 125.4° |
| HAK | CAK | CAU | CAL | 179.6° | 180.0° |
| HAK | CAK | CAP | CAT | 179.8° | 179.7° |
| HAK | CAK | CAU | CAX | 0.3° | 0.1° |
| CAQ | CAL | CAU | HAL | 180.0° | 179.3° |
| CAL | CAQ | CAT | CAP | 0.0° | 0.4° |
| CAQ | CAL | CAU | CAX | 179.7° | 179.4° |
| CAU | CAL | CAQ | CAT | 0.2° | 0.7° |
| CAL | CAU | CAX | CAV | 91.7° | 54.7° |
| HAL | CAL | CAQ | CAT | 179.8° | 180.0° |
| HAL | CAL | CAU | CAX | 0.3° | 0.1° |
| CAV | CAM | CAR | HAM | 180.0° | 179.7° |
| CAM | CAV | CAN | CAX | 179.4° | 179.9° |
| CAM | CAV | CAN | CAS | 0.3° | 0.6° |
| CAM | CAV | CAN | HAN | 179.7° | 179.7° |
| CAV | CAM | CAR | CAW | 0.2° | 0.3° |
| CAM | CAV | CAX | CAU | 140.1° | 123.3° |
| CAR | CAM | CAV | CAN | 0.4° | 0.0° |
| CAM | CAR | CAW | OAO | 180.0° | 179.9° |
| CAM | CAR | CAW | CAS | 0.1° | 0.0° |
| CAR | CAM | CAV | CAX | 179.9° | 179.9° |
| HAM | CAM | CAV | CAN | 179.5° | 179.7° |
| HAM | CAM | CAR | CAW | 179.8° | 179.9° |
| HAM | CAM | CAV | CAX | 0.1° | 0.3° |
| CAV | CAN | CAS | HAN | 180.0° | 179.1° |
| CAV | CAN | CAS | CAW | 0.1° | 0.8° |
| CAN | CAV | CAX | CAU | 40.5° | 56.6° |
| CAN | CAS | CAW | OAO | 179.9° | 179.5° |
| CAN | CAS | CAW | CAR | 0.3° | 0.5° |
| CAS | CAN | CAV | CAX | 179.7° | 179.5° |
| HAN | CAN | CAS | CAW | 180.0° | 180.0° |
| HAN | CAN | CAV | CAX | 0.3° | 0.4° |
| OAO | CAW | CAR | CAS | 179.9° | 179.9° |
| SAY | OAO | CAW | CAR | 0.6° | 90.0° |
| SAY | OAO | CAW | CAS | 179.5° | 90.0° |
