G0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | NAQ | doub | 1.32Å | 1.37Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.36Å | Aromatic |
| NAQ | CAO | sing | 1.32Å | 1.35Å | Aromatic |
| CAR | CAP | doub | 1.38Å | 1.37Å | Aromatic |
| CAO | CAN | doub | 1.39Å | 1.35Å | Aromatic |
| CAN | CAP | sing | 1.40Å | 1.38Å | Aromatic |
| CAN | C2 | sing | 1.48Å | 1.35Å | |
| N1 | C2 | doub | 1.33Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.31Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| NBC | C6 | sing | 1.38Å | 1.36Å | |
| NBC | CAK | sing | 1.40Å | 1.31Å | |
| C6 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| CBD | CAM | sing | 1.51Å | 1.41Å | |
| CAK | CAM | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.34Å | Aromatic |
| C5 | CBB | sing | 1.41Å | 1.34Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | NAZ | sing | 1.36Å | 1.34Å | Aromatic |
| CAI | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | NBA | doub | 1.30Å | 1.35Å | Aromatic |
| NAZ | CBE | sing | 1.47Å | 1.52Å | |
| NAZ | NBA | sing | 1.40Å | 1.07Å | Aromatic |
| CAH | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | CBF | sing | 1.48Å | 1.41Å | |
| OBH | CBF | doub | 1.22Å | 1.20Å | |
| CBF | NBG | sing | 1.35Å | 1.34Å | |
| NBG | CAF | sing | 1.40Å | 1.35Å | |
| CAD | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CL | CAB | sing | 1.74Å | 1.75Å | |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAA | doub | 1.38Å | 1.37Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| NBG | H5 | sing | 0.97Å | 1.00Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CBD | H9 | sing | 1.09Å | 1.10Å | |
| CBD | H10 | sing | 1.09Å | 1.10Å | |
| CBD | H11 | sing | 1.09Å | 1.10Å | |
| NBC | H12 | sing | 0.97Å | 1.00Å | |
| CBB | H13 | sing | 1.08Å | 1.08Å | |
| CBE | H14 | sing | 1.09Å | 1.10Å | |
| CBE | H15 | sing | 1.09Å | 1.10Å | |
| CBE | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.08Å | 1.08Å | |
| CAR | H18 | sing | 1.08Å | 1.08Å | |
| CAS | H19 | sing | 1.08Å | 1.08Å | |
| CAO | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAQ | CAS | CAR | 122.0° | 121.0° |
| CAS | NAQ | CAO | 119.9° | 121.9° |
| NAQ | CAS | H19 | 119.0° | 119.5° |
| CAS | CAR | CAP | 118.5° | 119.3° |
| CAS | CAR | H18 | 120.7° | 120.4° |
| CAR | CAS | H19 | 119.0° | 119.5° |
| NAQ | CAO | CAN | 118.1° | 120.6° |
| NAQ | CAO | H20 | 120.9° | 119.7° |
| CAR | CAP | CAN | 118.3° | 118.3° |
| CAR | CAP | H17 | 120.8° | 120.9° |
| CAP | CAR | H18 | 120.8° | 120.3° |
| CAO | CAN | CAP | 123.1° | 118.9° |
| CAO | CAN | C2 | 120.4° | 120.5° |
| CAN | CAO | H20 | 121.0° | 119.7° |
| CAP | CAN | C2 | 116.5° | 120.6° |
| CAN | CAP | H17 | 120.9° | 120.8° |
| CAN | C2 | N1 | 117.9° | 118.8° |
| CAN | C2 | N3 | 120.6° | 118.8° |
| C2 | N1 | C6 | 119.3° | 121.1° |
| N1 | C2 | N3 | 121.6° | 122.4° |
| N1 | C6 | NBC | 113.9° | 120.7° |
| N1 | C6 | C5 | 120.0° | 118.5° |
| C2 | N3 | C4 | 120.5° | 120.6° |
| C6 | NBC | CAK | 123.8° | 120.0° |
| NBC | C6 | C5 | 126.1° | 120.8° |
| C6 | NBC | H12 | 118.1° | 119.9° |
| NBC | CAK | CAM | 118.7° | 120.0° |
| NBC | CAK | CAI | 120.8° | 120.0° |
| CAK | NBC | H12 | 118.1° | 120.0° |
| C6 | C5 | C4 | 120.4° | 118.3° |
| C6 | C5 | CBB | 139.0° | 134.6° |
| N3 | C4 | C5 | 118.3° | 119.0° |
| N3 | C4 | NAZ | 133.3° | 134.5° |
| CBD | CAM | CAK | 121.6° | 119.9° |
| CBD | CAM | CAL | 120.2° | 119.9° |
| CAM | CBD | H9 | 109.5° | 109.4° |
| CAM | CBD | H10 | 109.4° | 109.5° |
| CAM | CBD | H11 | 109.4° | 109.4° |
| CAM | CAK | CAI | 120.5° | 120.0° |
| CAK | CAM | CAL | 118.2° | 120.2° |
| CAK | CAI | CAH | 121.6° | 119.8° |
| CAK | CAI | H6 | 119.2° | 120.1° |
| C4 | C5 | CBB | 100.6° | 107.0° |
| C5 | C4 | NAZ | 108.4° | 106.5° |
| C5 | CBB | NBA | 107.8° | 108.5° |
| C5 | CBB | H13 | 126.1° | 125.7° |
| CAM | CAL | CAJ | 121.1° | 120.3° |
| CAM | CAL | H8 | 119.5° | 119.9° |
| C4 | NAZ | CBE | 126.9° | 125.9° |
| C4 | NAZ | NBA | 111.5° | 108.2° |
| CAI | CAH | CAJ | 118.0° | 119.8° |
| CAI | CAH | CBF | 118.8° | 120.1° |
| CAH | CAI | H6 | 119.2° | 120.1° |
| CAL | CAJ | CAH | 120.6° | 120.0° |
| CAL | CAJ | H7 | 119.7° | 120.1° |
| CAJ | CAL | H8 | 119.4° | 119.8° |
| CBB | NBA | NAZ | 111.6° | 109.7° |
| NBA | CBB | H13 | 126.1° | 125.8° |
| CBE | NAZ | NBA | 121.6° | 125.9° |
| NAZ | CBE | H14 | 109.5° | 109.5° |
| NAZ | CBE | H15 | 109.5° | 109.5° |
| NAZ | CBE | H16 | 109.4° | 109.5° |
| CAJ | CAH | CBF | 123.2° | 120.1° |
| CAH | CAJ | H7 | 119.7° | 120.0° |
| CAH | CBF | OBH | 119.2° | 120.0° |
| CAH | CBF | NBG | 117.4° | 120.0° |
| OBH | CBF | NBG | 123.0° | 120.0° |
| CBF | NBG | CAF | 123.2° | 120.0° |
| CBF | NBG | H5 | 118.4° | 120.0° |
| NBG | CAF | CAD | 124.3° | 120.1° |
| NBG | CAF | CAE | 118.4° | 120.1° |
| CAF | NBG | H5 | 118.4° | 120.0° |
| CAF | CAD | CAB | 121.6° | 119.9° |
| CAD | CAF | CAE | 117.2° | 119.8° |
| CAF | CAD | H1 | 119.2° | 120.0° |
| CAD | CAB | CL | 121.7° | 120.0° |
| CAD | CAB | CAA | 120.1° | 120.0° |
| CAB | CAD | H1 | 119.2° | 120.0° |
| CL | CAB | CAA | 118.3° | 120.0° |
| CAF | CAE | CAC | 121.7° | 120.0° |
| CAF | CAE | H4 | 119.1° | 120.0° |
| CAB | CAA | CAC | 119.7° | 120.1° |
| CAB | CAA | H2 | 120.2° | 119.9° |
| CAE | CAC | CAA | 119.7° | 120.1° |
| CAE | CAC | H3 | 120.1° | 120.0° |
| CAC | CAE | H4 | 119.2° | 120.0° |
| CAC | CAA | H2 | 120.1° | 119.9° |
| CAA | CAC | H3 | 120.2° | 119.9° |
| H9 | CBD | H10 | 109.5° | 109.5° |
| H9 | CBD | H11 | 109.5° | 109.5° |
| H10 | CBD | H11 | 109.5° | 109.5° |
| H14 | CBE | H15 | 109.5° | 109.5° |
| H14 | CBE | H16 | 109.4° | 109.5° |
| H15 | CBE | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAS | CAR | H19 | 180.0° | 179.7° |
| NAQ | CAS | CAR | CAP | 0.7° | 0.0° |
| CAS | NAQ | CAO | CAN | 0.6° | 0.6° |
| NAQ | CAS | CAR | H18 | 179.3° | 180.0° |
| CAS | NAQ | CAO | H20 | 179.4° | 180.0° |
| CAR | CAS | NAQ | CAO | 0.4° | 0.3° |
| CAS | CAR | CAP | H18 | 180.0° | 180.0° |
| CAS | CAR | CAP | CAN | 1.3° | 0.0° |
| CAS | CAR | CAP | H17 | 178.8° | 180.0° |
| NAQ | CAO | CAN | H20 | 180.0° | 179.4° |
| NAQ | CAO | CAN | CAP | 1.2° | 0.6° |
| NAQ | CAO | CAN | C2 | 179.6° | 179.7° |
| CAO | NAQ | CAS | H19 | 179.7° | 179.9° |
| CAR | CAP | CAN | CAO | 1.5° | 0.3° |
| CAR | CAP | CAN | H17 | 180.0° | 180.0° |
| CAR | CAP | CAN | C2 | 180.0° | 180.0° |
| CAP | CAR | CAS | H19 | 179.3° | 179.8° |
| CAO | CAN | CAP | C2 | 178.5° | 179.7° |
| CAO | CAN | C2 | N1 | 6.0° | 175.1° |
| CAO | CAN | C2 | N3 | 173.6° | 4.9° |
| CAO | CAN | CAP | H17 | 178.5° | 179.7° |
| CAP | CAN | C2 | N1 | 172.5° | 5.2° |
| CAP | CAN | C2 | N3 | 7.8° | 174.8° |
| CAN | CAP | CAR | H18 | 178.8° | 180.0° |
| CAP | CAN | CAO | H20 | 178.8° | 180.0° |
| CAN | C2 | N1 | N3 | 179.6° | 180.0° |
| CAN | C2 | N1 | C6 | 179.7° | 180.0° |
| CAN | C2 | N3 | C4 | 179.0° | 179.8° |
| C2 | CAN | CAP | H17 | 0.0° | 0.0° |
| C2 | CAN | CAO | H20 | 0.4° | 0.3° |
| C2 | N1 | C6 | NBC | 179.2° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.3° |
| N1 | C2 | N3 | C4 | 1.4° | 0.2° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| N1 | C6 | NBC | C5 | 179.3° | 179.7° |
| N1 | C6 | NBC | CAK | 164.8° | 7.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.3° |
| N1 | C6 | C5 | CBB | 180.0° | 179.7° |
| N1 | C6 | NBC | H12 | 15.2° | 173.0° |
| C2 | N3 | C4 | C5 | 1.6° | 0.2° |
| C2 | N3 | C4 | NAZ | 180.0° | 179.7° |
| C6 | NBC | CAK | H12 | 180.0° | 180.0° |
| C6 | NBC | CAK | CAM | 99.1° | 156.4° |
| C6 | NBC | CAK | CAI | 82.6° | 24.4° |
| NBC | C6 | C5 | C4 | 178.9° | 180.0° |
| NBC | C6 | C5 | CBB | 0.7° | 0.0° |
| CAK | NBC | C6 | C5 | 15.9° | 173.3° |
| NBC | CAK | CAM | CBD | 0.7° | 0.6° |
| NBC | CAK | CAM | CAI | 178.3° | 179.2° |
| NBC | CAK | CAM | CAL | 179.3° | 180.0° |
| NBC | CAK | CAI | CAH | 179.9° | 179.7° |
| NBC | CAK | CAI | H6 | 0.0° | 0.2° |
| C6 | C5 | C4 | N3 | 1.1° | 0.1° |
| C6 | C5 | C4 | CBB | 179.7° | 180.0° |
| C6 | C5 | C4 | NAZ | 179.8° | 180.0° |
| C6 | C5 | CBB | NBA | 179.9° | 180.0° |
| C5 | C6 | NBC | H12 | 164.1° | 6.7° |
| C6 | C5 | CBB | H13 | 0.1° | 0.0° |
| N3 | C4 | C5 | NAZ | 178.7° | 179.9° |
| N3 | C4 | C5 | CBB | 179.2° | 179.9° |
| N3 | C4 | NAZ | CBE | 1.5° | 0.1° |
| N3 | C4 | NAZ | NBA | 179.0° | 179.9° |
| CBD | CAM | CAK | CAL | 180.0° | 179.4° |
| CBD | CAM | CAK | CAI | 179.0° | 179.8° |
| CBD | CAM | CAL | CAJ | 179.5° | 180.0° |
| CBD | CAM | CAL | H8 | 0.4° | 0.0° |
| CAM | CBD | H9 | H10 | 120.0° | 120.0° |
| CAM | CBD | H9 | H11 | 120.0° | 119.9° |
| CAM | CBD | H10 | H11 | 120.0° | 120.0° |
| CAM | CAK | CAI | CAH | 1.6° | 0.5° |
| CAK | CAM | CAL | CAJ | 0.4° | 0.6° |
| CAM | CAK | CAI | H6 | 178.3° | 179.4° |
| CAK | CAM | CAL | H8 | 179.6° | 179.4° |
| CAK | CAM | CBD | H9 | 90.0° | 90.6° |
| CAK | CAM | CBD | H10 | 150.0° | 29.4° |
| CAK | CAM | CBD | H11 | 30.0° | 149.5° |
| CAM | CAK | NBC | H12 | 81.0° | 23.6° |
| CAI | CAK | CAM | CAL | 0.9° | 0.8° |
| CAK | CAI | CAH | H6 | 180.0° | 179.9° |
| CAK | CAI | CAH | CAJ | 1.8° | 0.0° |
| CAK | CAI | CAH | CBF | 178.8° | 179.8° |
| CAI | CAK | NBC | H12 | 97.4° | 155.6° |
| C4 | C5 | CBB | NBA | 0.2° | 0.0° |
| C5 | C4 | NAZ | CBE | 179.9° | 180.0° |
| C5 | C4 | NAZ | NBA | 0.5° | 0.0° |
| C4 | C5 | CBB | H13 | 179.8° | 180.0° |
| CBB | C5 | C4 | NAZ | 0.4° | 0.0° |
| C5 | CBB | NBA | H13 | 180.0° | 180.0° |
| C5 | CBB | NBA | NAZ | 0.1° | 0.0° |
| CAM | CAL | CAJ | H8 | 180.0° | 179.9° |
| CAM | CAL | CAJ | CAH | 0.6° | 0.0° |
| CAM | CAL | CAJ | H7 | 179.4° | 180.0° |
| CAL | CAM | CBD | H9 | 90.0° | 90.0° |
| CAL | CAM | CBD | H10 | 30.0° | 150.0° |
| CAL | CAM | CBD | H11 | 150.0° | 29.9° |
| C4 | NAZ | NBA | CBB | 0.4° | 0.0° |
| C4 | NAZ | CBE | NBA | 179.5° | 180.0° |
| C4 | NAZ | CBE | H14 | 179.5° | 90.0° |
| C4 | NAZ | CBE | H15 | 59.5° | 30.0° |
| C4 | NAZ | CBE | H16 | 60.5° | 150.0° |
| CAI | CAH | CAJ | CAL | 1.2° | 0.3° |
| CAI | CAH | CAJ | CBF | 176.9° | 179.7° |
| CAI | CAH | CBF | OBH | 4.4° | 5.5° |
| CAI | CAH | CBF | NBG | 168.6° | 174.5° |
| CAI | CAH | CAJ | H7 | 178.8° | 179.7° |
| CAL | CAJ | CAH | H7 | 180.0° | 180.0° |
| CAL | CAJ | CAH | CBF | 178.1° | 180.0° |
| CBB | NBA | NAZ | CBE | 180.0° | 180.0° |
| NAZ | CBE | H14 | H15 | 120.0° | 120.0° |
| NAZ | CBE | H14 | H16 | 120.0° | 120.0° |
| NAZ | CBE | H15 | H16 | 120.0° | 120.0° |
| NAZ | NBA | CBB | H13 | 179.9° | 180.0° |
| NBA | NAZ | CBE | H14 | 0.0° | 89.9° |
| NBA | NAZ | CBE | H15 | 120.0° | 150.0° |
| NBA | NAZ | CBE | H16 | 120.0° | 30.0° |
| CAJ | CAH | CBF | OBH | 178.8° | 174.7° |
| CAJ | CAH | CBF | NBG | 8.2° | 5.3° |
| CAJ | CAH | CAI | H6 | 178.2° | 180.0° |
| CAH | CAJ | CAL | H8 | 179.4° | 179.9° |
| CAH | CBF | OBH | NBG | 172.6° | 180.0° |
| CAH | CBF | NBG | CAF | 172.6° | 174.6° |
| CAH | CBF | NBG | H5 | 7.4° | 5.3° |
| CBF | CAH | CAI | H6 | 1.2° | 0.3° |
| CBF | CAH | CAJ | H7 | 1.9° | 0.0° |
| OBH | CBF | NBG | CAF | 0.1° | 5.4° |
| OBH | CBF | NBG | H5 | 179.9° | 174.7° |
| CBF | NBG | CAF | H5 | 180.0° | 179.9° |
| CBF | NBG | CAF | CAD | 30.7° | 152.4° |
| CBF | NBG | CAF | CAE | 152.4° | 27.6° |
| NBG | CAF | CAD | CAE | 176.8° | 179.9° |
| NBG | CAF | CAD | CAB | 178.8° | 180.0° |
| NBG | CAF | CAE | CAC | 178.2° | 180.0° |
| NBG | CAF | CAD | H1 | 1.2° | 0.2° |
| NBG | CAF | CAE | H4 | 1.8° | 0.2° |
| CAF | CAD | CAB | H1 | 180.0° | 179.8° |
| CAF | CAD | CAB | CL | 177.9° | 180.0° |
| CAF | CAD | CAB | CAA | 1.9° | 0.1° |
| CAD | CAF | CAE | CAC | 1.2° | 0.0° |
| CAD | CAF | CAE | H4 | 178.8° | 179.9° |
| CAD | CAF | NBG | H5 | 149.3° | 27.7° |
| CAD | CAB | CL | CAA | 179.8° | 180.0° |
| CAB | CAD | CAF | CAE | 2.0° | 0.0° |
| CAD | CAB | CAA | CAC | 1.0° | 0.0° |
| CAD | CAB | CAA | H2 | 179.0° | 180.0° |
| CL | CAB | CAA | CAC | 178.8° | 180.0° |
| CL | CAB | CAD | H1 | 2.2° | 0.2° |
| CL | CAB | CAA | H2 | 1.2° | 0.0° |
| CAF | CAE | CAC | H4 | 180.0° | 179.9° |
| CAF | CAE | CAC | CAA | 0.4° | 0.0° |
| CAE | CAF | CAD | H1 | 178.0° | 179.7° |
| CAF | CAE | CAC | H3 | 179.6° | 180.0° |
| CAE | CAF | NBG | H5 | 27.5° | 152.3° |
| CAB | CAA | CAC | CAE | 0.2° | 0.0° |
| CAB | CAA | CAC | H2 | 180.0° | 180.0° |
| CAA | CAB | CAD | H1 | 178.1° | 179.7° |
| CAB | CAA | CAC | H3 | 179.8° | 180.0° |
| CAE | CAC | CAA | H3 | 180.0° | 180.0° |
| CAE | CAC | CAA | H2 | 179.8° | 180.0° |
| CAA | CAC | CAE | H4 | 179.7° | 179.9° |
| H2 | CAA | CAC | H3 | 0.2° | 0.0° |
| H3 | CAC | CAE | H4 | 0.4° | 0.1° |
| H7 | CAJ | CAL | H8 | 0.5° | 0.1° |
| H9 | CBD | H10 | H11 | 120.0° | 120.0° |
| H14 | CBE | H15 | H16 | 120.0° | 120.0° |
| H17 | CAP | CAR | H18 | 1.2° | 0.0° |
| H18 | CAR | CAS | H19 | 0.7° | 0.3° |
