G6Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAH | C6 | sing | 1.38Å | 1.34Å | |
| CBC | CAK | sing | 1.53Å | 1.54Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| CAJ | CAK | sing | 1.47Å | 1.48Å | |
| CAJ | CAI | trip | 1.17Å | 1.17Å | |
| CAK | CAL | sing | 1.51Å | 1.43Å | |
| CAI | C5 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | NAG | sing | 1.38Å | 1.33Å | |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | CBD | sing | 1.51Å | 1.41Å | |
| CAQ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAT | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAR | sing | 1.48Å | 1.41Å | |
| CAN | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CBD | CBE | sing | 1.53Å | 1.53Å | |
| OBB | CAZ | doub | 1.21Å | 1.25Å | |
| CAR | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAP | OAX | sing | 1.36Å | 1.37Å | |
| CAU | CAZ | sing | 1.48Å | 1.40Å | |
| CAU | CAV | doub | 1.40Å | 1.39Å | Aromatic |
| CAZ | OBA | sing | 1.35Å | 1.26Å | |
| CAW | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| OAX | CAY | sing | 1.43Å | 1.43Å | |
| CBE | H1 | sing | 1.09Å | 1.10Å | |
| CBE | H2 | sing | 1.09Å | 1.10Å | |
| CBE | H3 | sing | 1.09Å | 1.10Å | |
| CBD | H4 | sing | 1.09Å | 1.10Å | |
| CBD | H5 | sing | 1.09Å | 1.10Å | |
| NAG | H6 | sing | 0.97Å | 1.00Å | |
| NAG | H7 | sing | 0.97Å | 1.00Å | |
| NAH | H8 | sing | 0.97Å | 1.00Å | |
| NAH | H9 | sing | 0.97Å | 1.00Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.09Å | 1.10Å | |
| CAY | H17 | sing | 1.09Å | 1.10Å | |
| CAY | H18 | sing | 1.09Å | 1.10Å | |
| CAO | H19 | sing | 1.08Å | 1.08Å | |
| CAS | H20 | sing | 1.08Å | 1.08Å | |
| CAT | H21 | sing | 1.08Å | 1.08Å | |
| OBA | H22 | sing | 0.97Å | 0.95Å | |
| CAV | H23 | sing | 1.08Å | 1.08Å | |
| CAW | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | C6 | N1 | 120.7° | 120.6° |
| NAH | C6 | C5 | 118.3° | 120.6° |
| C6 | NAH | H8 | 109.5° | 120.0° |
| C6 | NAH | H9 | 109.4° | 120.0° |
| CBC | CAK | CAJ | 109.6° | 109.5° |
| CBC | CAK | CAL | 109.2° | 109.5° |
| CBC | CAK | H10 | 108.8° | 109.5° |
| CAK | CBC | H11 | 109.5° | 109.5° |
| CAK | CBC | H12 | 109.4° | 109.4° |
| CAK | CBC | H13 | 109.5° | 109.5° |
| N1 | C6 | C5 | 121.0° | 118.9° |
| C6 | N1 | C2 | 120.0° | 120.7° |
| C6 | C5 | CAI | 123.4° | 120.9° |
| C6 | C5 | C4 | 117.4° | 118.2° |
| N1 | C2 | NAG | 118.9° | 119.0° |
| N1 | C2 | N3 | 120.4° | 122.0° |
| CAK | CAJ | CAI | 174.7° | 179.9° |
| CAJ | CAK | CAL | 109.0° | 109.4° |
| CAJ | CAK | H10 | 109.7° | 109.5° |
| CAJ | CAI | C5 | 174.4° | 180.0° |
| CAK | CAL | CAM | 122.1° | 119.9° |
| CAK | CAL | CAQ | 119.5° | 119.9° |
| CAL | CAK | H10 | 110.5° | 109.4° |
| CAI | C5 | C4 | 119.2° | 120.9° |
| C5 | C4 | N3 | 119.4° | 119.1° |
| C5 | C4 | CBD | 122.6° | 120.4° |
| NAG | C2 | N3 | 120.6° | 119.0° |
| C2 | NAG | H6 | 109.5° | 120.0° |
| C2 | NAG | H7 | 109.5° | 120.1° |
| C2 | N3 | C4 | 121.7° | 121.1° |
| CAM | CAL | CAQ | 118.4° | 120.2° |
| CAL | CAM | CAN | 121.8° | 120.0° |
| CAL | CAM | H14 | 119.1° | 120.0° |
| CAL | CAQ | CAP | 120.4° | 120.2° |
| CAL | CAQ | H15 | 119.8° | 119.9° |
| CAM | CAN | CAR | 121.2° | 120.2° |
| CAM | CAN | CAO | 118.0° | 119.8° |
| CAN | CAM | H14 | 119.1° | 120.0° |
| N3 | C4 | CBD | 118.1° | 120.5° |
| C4 | CBD | CBE | 110.6° | 109.5° |
| C4 | CBD | H4 | 109.2° | 109.5° |
| C4 | CBD | H5 | 109.2° | 109.5° |
| CAQ | CAP | CAO | 120.3° | 120.0° |
| CAQ | CAP | OAX | 119.0° | 120.0° |
| CAP | CAQ | H15 | 119.8° | 119.9° |
| CAT | CAS | CAR | 121.8° | 120.0° |
| CAS | CAT | CAU | 120.3° | 120.0° |
| CAT | CAS | H20 | 119.1° | 120.0° |
| CAS | CAT | H21 | 119.9° | 120.0° |
| CAS | CAR | CAN | 120.7° | 119.9° |
| CAS | CAR | CAW | 117.8° | 120.1° |
| CAR | CAS | H20 | 119.1° | 120.0° |
| CAT | CAU | CAZ | 119.9° | 120.0° |
| CAT | CAU | CAV | 118.4° | 119.9° |
| CAU | CAT | H21 | 119.8° | 120.0° |
| CAR | CAN | CAO | 120.7° | 120.1° |
| CAN | CAR | CAW | 121.5° | 120.0° |
| CAN | CAO | CAP | 121.0° | 119.8° |
| CAN | CAO | H19 | 119.5° | 120.1° |
| CBD | CBE | H1 | 109.5° | 109.5° |
| CBD | CBE | H2 | 109.5° | 109.5° |
| CBD | CBE | H3 | 109.5° | 109.5° |
| CBE | CBD | H4 | 109.2° | 109.5° |
| CBE | CBD | H5 | 109.2° | 109.4° |
| OBB | CAZ | CAU | 119.9° | 120.0° |
| OBB | CAZ | OBA | 119.2° | 120.0° |
| CAR | CAW | CAV | 120.5° | 120.0° |
| CAR | CAW | H24 | 119.8° | 120.0° |
| CAO | CAP | OAX | 120.7° | 120.0° |
| CAP | CAO | H19 | 119.5° | 120.1° |
| CAP | OAX | CAY | 112.8° | 116.9° |
| CAZ | CAU | CAV | 121.7° | 120.1° |
| CAU | CAZ | OBA | 120.9° | 120.0° |
| CAU | CAV | CAW | 121.3° | 120.0° |
| CAU | CAV | H23 | 119.4° | 120.0° |
| CAZ | OBA | H22 | 109.5° | 117.0° |
| CAW | CAV | H23 | 119.3° | 120.0° |
| CAV | CAW | H24 | 119.8° | 120.0° |
| OAX | CAY | H16 | 109.5° | 109.5° |
| OAX | CAY | H17 | 109.5° | 109.5° |
| OAX | CAY | H18 | 109.5° | 109.5° |
| H1 | CBE | H2 | 109.5° | 109.5° |
| H1 | CBE | H3 | 109.5° | 109.5° |
| H2 | CBE | H3 | 109.5° | 109.4° |
| H4 | CBD | H5 | 109.4° | 109.5° |
| H6 | NAG | H7 | 109.5° | 119.9° |
| H8 | NAH | H9 | 109.5° | 120.0° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H11 | CBC | H13 | 109.5° | 109.5° |
| H12 | CBC | H13 | 109.5° | 109.5° |
| H16 | CAY | H17 | 109.5° | 109.5° |
| H16 | CAY | H18 | 109.5° | 109.5° |
| H17 | CAY | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | C6 | N1 | C5 | 179.9° | 180.0° |
| NAH | C6 | N1 | C2 | 179.3° | 180.0° |
| NAH | C6 | C5 | CAI | 0.0° | 0.0° |
| NAH | C6 | C5 | C4 | 179.5° | 180.0° |
| C6 | NAH | H8 | H9 | 120.0° | 179.9° |
| CBC | CAK | CAJ | CAL | 119.4° | 120.0° |
| CBC | CAK | CAJ | H10 | 119.5° | 120.1° |
| CBC | CAK | CAJ | CAI | 133.2° | 56.5° |
| CBC | CAK | CAL | H10 | 119.7° | 120.0° |
| CBC | CAK | CAL | CAM | 63.5° | 120.0° |
| CBC | CAK | CAL | CAQ | 116.6° | 60.2° |
| CAK | CBC | H11 | H12 | 120.0° | 120.0° |
| CAK | CBC | H11 | H13 | 120.0° | 120.0° |
| CAK | CBC | H12 | H13 | 120.0° | 120.0° |
| N1 | C6 | C5 | CAI | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | N1 | C2 | NAG | 179.3° | 180.0° |
| C6 | N1 | C2 | N3 | 2.3° | 0.0° |
| N1 | C6 | NAH | H8 | 0.0° | 0.0° |
| N1 | C6 | NAH | H9 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.8° | 0.0° |
| C6 | C5 | CAI | CAJ | 177.9° | 11.4° |
| C6 | C5 | CAI | C4 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | CBD | 179.6° | 179.7° |
| C5 | C6 | NAH | H8 | 180.0° | 179.9° |
| C5 | C6 | NAH | H9 | 59.9° | 0.0° |
| N1 | C2 | NAG | N3 | 178.4° | 180.0° |
| N1 | C2 | N3 | C4 | 2.7° | 0.0° |
| N1 | C2 | NAG | H6 | 0.0° | 0.0° |
| N1 | C2 | NAG | H7 | 120.0° | 180.0° |
| CAJ | CAK | CAL | H10 | 120.6° | 120.0° |
| CAK | CAJ | CAI | C5 | 14.0° | 165.1° |
| CAJ | CAK | CAL | CAM | 56.2° | 120.0° |
| CAJ | CAK | CAL | CAQ | 123.7° | 59.8° |
| CAJ | CAK | CBC | H11 | 180.0° | 60.0° |
| CAJ | CAK | CBC | H12 | 60.0° | 60.0° |
| CAJ | CAK | CBC | H13 | 60.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 13.8° | 176.5° |
| CAJ | CAI | C5 | C4 | 1.6° | 168.6° |
| CAI | CAJ | CAK | H10 | 107.3° | 63.6° |
| CAK | CAL | CAM | CAQ | 179.9° | 179.8° |
| CAK | CAL | CAM | CAN | 179.1° | 180.0° |
| CAK | CAL | CAQ | CAP | 179.8° | 180.0° |
| CAL | CAK | CBC | H11 | 60.7° | 60.0° |
| CAL | CAK | CBC | H12 | 59.3° | 180.0° |
| CAL | CAK | CBC | H13 | 179.3° | 60.0° |
| CAK | CAL | CAM | H14 | 0.9° | 0.0° |
| CAK | CAL | CAQ | H15 | 0.1° | 0.1° |
| CAI | C5 | C4 | N3 | 179.7° | 180.0° |
| CAI | C5 | C4 | CBD | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 1.4° | 0.0° |
| C5 | C4 | N3 | CBD | 179.8° | 179.8° |
| C5 | C4 | CBD | CBE | 111.1° | 89.8° |
| C5 | C4 | CBD | H4 | 9.1° | 30.2° |
| C5 | C4 | CBD | H5 | 128.7° | 150.3° |
| NAG | C2 | N3 | C4 | 179.0° | 180.0° |
| C2 | NAG | H6 | H7 | 120.0° | 180.0° |
| C2 | N3 | C4 | CBD | 178.8° | 179.7° |
| N3 | C2 | NAG | H6 | 178.4° | 180.0° |
| N3 | C2 | NAG | H7 | 61.6° | 0.0° |
| CAL | CAM | CAN | H14 | 180.0° | 180.0° |
| CAM | CAL | CAQ | CAP | 0.3° | 0.1° |
| CAL | CAM | CAN | CAR | 178.5° | 180.0° |
| CAL | CAM | CAN | CAO | 1.8° | 0.0° |
| CAM | CAL | CAK | H10 | 176.8° | 0.0° |
| CAM | CAL | CAQ | H15 | 179.7° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.8° | 0.2° |
| CAL | CAQ | CAP | H15 | 180.0° | 179.9° |
| CAL | CAQ | CAP | CAO | 0.3° | 0.1° |
| CAL | CAQ | CAP | OAX | 179.9° | 179.9° |
| CAQ | CAL | CAK | H10 | 3.1° | 179.8° |
| CAQ | CAL | CAM | H14 | 179.3° | 179.8° |
| CAM | CAN | CAR | CAS | 23.2° | 0.3° |
| CAM | CAN | CAR | CAO | 176.7° | 180.0° |
| CAM | CAN | CAR | CAW | 154.7° | 180.0° |
| CAM | CAN | CAO | CAP | 1.8° | 0.3° |
| CAM | CAN | CAO | H19 | 178.2° | 180.0° |
| N3 | C4 | CBD | CBE | 69.2° | 90.0° |
| N3 | C4 | CBD | H4 | 170.7° | 150.0° |
| N3 | C4 | CBD | H5 | 51.0° | 29.9° |
| C4 | CBD | CBE | H4 | 120.2° | 120.0° |
| C4 | CBD | CBE | H5 | 120.2° | 120.0° |
| C4 | CBD | CBE | H1 | 180.0° | 60.0° |
| C4 | CBD | CBE | H2 | 60.0° | 60.0° |
| C4 | CBD | CBE | H3 | 60.0° | 180.0° |
| C4 | CBD | H4 | H5 | 119.5° | 120.1° |
| CAQ | CAP | CAO | CAN | 0.8° | 0.3° |
| CAQ | CAP | CAO | OAX | 179.7° | 179.9° |
| CAQ | CAP | OAX | CAY | 168.3° | 180.0° |
| CAQ | CAP | CAO | H19 | 179.2° | 180.0° |
| CAT | CAS | CAR | H20 | 180.0° | 179.9° |
| CAS | CAT | CAU | H21 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAN | 178.2° | 180.0° |
| CAT | CAS | CAR | CAW | 0.2° | 0.2° |
| CAS | CAT | CAU | CAZ | 179.8° | 180.0° |
| CAS | CAT | CAU | CAV | 0.1° | 0.0° |
| CAR | CAS | CAT | CAU | 0.3° | 0.1° |
| CAS | CAR | CAN | CAW | 177.9° | 179.7° |
| CAS | CAR | CAN | CAO | 160.1° | 179.7° |
| CAS | CAR | CAW | CAV | 0.8° | 0.6° |
| CAR | CAS | CAT | H21 | 179.6° | 180.0° |
| CAS | CAR | CAW | H24 | 179.1° | 179.7° |
| CAT | CAU | CAZ | OBB | 21.3° | 0.0° |
| CAT | CAU | CAZ | CAV | 179.6° | 180.0° |
| CAT | CAU | CAZ | OBA | 160.8° | 180.0° |
| CAT | CAU | CAV | CAW | 0.6° | 0.3° |
| CAU | CAT | CAS | H20 | 179.7° | 180.0° |
| CAT | CAU | CAV | H23 | 179.4° | 180.0° |
| CAR | CAN | CAO | CAP | 178.6° | 179.7° |
| CAN | CAR | CAW | CAV | 178.8° | 179.7° |
| CAR | CAN | CAM | H14 | 1.5° | 0.1° |
| CAR | CAN | CAO | H19 | 1.4° | 0.0° |
| CAN | CAR | CAS | H20 | 1.8° | 0.0° |
| CAN | CAR | CAW | H24 | 1.1° | 0.0° |
| CAO | CAN | CAR | CAW | 21.9° | 0.0° |
| CAN | CAO | CAP | H19 | 180.0° | 179.7° |
| CAN | CAO | CAP | OAX | 178.9° | 179.7° |
| CAO | CAN | CAM | H14 | 178.2° | 180.0° |
| CBD | CBE | H1 | H2 | 120.0° | 120.0° |
| CBD | CBE | H1 | H3 | 120.0° | 120.1° |
| CBD | CBE | H2 | H3 | 120.0° | 120.0° |
| CBE | CBD | H4 | H5 | 119.5° | 119.9° |
| OBB | CAZ | CAU | OBA | 177.9° | 179.9° |
| OBB | CAZ | CAU | CAV | 158.3° | 180.0° |
| OBB | CAZ | OBA | H22 | 0.0° | 0.1° |
| CAR | CAW | CAV | CAU | 1.1° | 0.6° |
| CAR | CAW | CAV | H24 | 180.0° | 179.7° |
| CAW | CAR | CAS | H20 | 179.8° | 179.7° |
| CAR | CAW | CAV | H23 | 178.9° | 179.7° |
| CAO | CAP | OAX | CAY | 11.4° | 0.0° |
| CAO | CAP | CAQ | H15 | 179.8° | 180.0° |
| OAX | CAP | CAQ | H15 | 0.1° | 0.1° |
| CAP | OAX | CAY | H16 | 180.0° | 60.0° |
| CAP | OAX | CAY | H17 | 60.0° | 60.0° |
| CAP | OAX | CAY | H18 | 60.0° | 180.0° |
| OAX | CAP | CAO | H19 | 1.2° | 0.0° |
| CAZ | CAU | CAV | CAW | 179.1° | 179.7° |
| CAZ | CAU | CAT | H21 | 0.2° | 0.1° |
| CAU | CAZ | OBA | H22 | 177.9° | 180.0° |
| CAZ | CAU | CAV | H23 | 0.9° | 0.0° |
| CAV | CAU | CAZ | OBA | 19.6° | 0.0° |
| CAU | CAV | CAW | H23 | 180.0° | 179.7° |
| CAV | CAU | CAT | H21 | 179.8° | 179.9° |
| CAU | CAV | CAW | H24 | 178.9° | 179.7° |
| OAX | CAY | H16 | H17 | 120.0° | 120.1° |
| OAX | CAY | H16 | H18 | 120.0° | 120.0° |
| OAX | CAY | H17 | H18 | 120.0° | 120.0° |
| H1 | CBE | H2 | H3 | 120.0° | 120.0° |
| H1 | CBE | CBD | H4 | 59.8° | 180.0° |
| H1 | CBE | CBD | H5 | 59.8° | 60.0° |
| H2 | CBE | CBD | H4 | 179.8° | 60.0° |
| H2 | CBE | CBD | H5 | 60.2° | 180.0° |
| H3 | CBE | CBD | H4 | 60.2° | 60.0° |
| H3 | CBE | CBD | H5 | 179.8° | 60.0° |
| H10 | CAK | CBC | H11 | 60.0° | 179.9° |
| H10 | CAK | CBC | H12 | 180.0° | 60.0° |
| H10 | CAK | CBC | H13 | 60.0° | 59.9° |
| H11 | CBC | H12 | H13 | 120.0° | 120.0° |
| H16 | CAY | H17 | H18 | 120.0° | 119.9° |
| H20 | CAS | CAT | H21 | 0.3° | 0.1° |
| H23 | CAV | CAW | H24 | 1.1° | 0.0° |
