G8J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAH | C6 | sing | 1.38Å | 1.34Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| CAZ | CAM | sing | 1.53Å | 1.54Å | |
| NAG | C2 | sing | 1.38Å | 1.33Å | |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | CAK | sing | 1.43Å | 1.42Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| CAK | CAL | trip | 1.17Å | 1.12Å | |
| CAL | CAM | sing | 1.47Å | 1.46Å | |
| CAM | CAN | sing | 1.51Å | 1.41Å | |
| N3 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | CAI | sing | 1.51Å | 1.40Å | |
| OBA | CAS | sing | 1.36Å | 1.37Å | |
| OBA | CBB | sing | 1.43Å | 1.43Å | |
| CAN | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAT | sing | 1.48Å | 1.41Å | |
| CAV | NAW | sing | 1.32Å | 1.42Å | Aromatic |
| CAT | CAY | doub | 1.40Å | 1.41Å | Aromatic |
| NAW | CAX | doub | 1.32Å | 1.41Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | 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 | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAZ | H11 | sing | 1.09Å | 1.10Å | |
| CAZ | H12 | sing | 1.09Å | 1.10Å | |
| CAZ | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CBB | H15 | sing | 1.09Å | 1.10Å | |
| CBB | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| CAR | H18 | sing | 1.08Å | 1.08Å | |
| CAQ | H19 | sing | 1.08Å | 1.08Å | |
| CAU | H20 | sing | 1.08Å | 1.08Å | |
| CAV | H21 | sing | 1.08Å | 1.08Å | |
| CAX | H22 | sing | 1.08Å | 1.08Å | |
| CAY | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | C6 | N1 | 121.2° | 120.6° |
| NAH | C6 | C5 | 118.5° | 120.5° |
| C6 | NAH | H8 | 109.5° | 120.0° |
| C6 | NAH | H9 | 109.5° | 120.0° |
| C6 | N1 | C2 | 120.0° | 120.7° |
| N1 | C6 | C5 | 120.3° | 118.9° |
| N1 | C2 | NAG | 120.7° | 119.0° |
| N1 | C2 | N3 | 120.0° | 122.0° |
| C6 | C5 | CAK | 123.0° | 120.9° |
| C6 | C5 | C4 | 118.3° | 118.2° |
| CAZ | CAM | CAL | 106.9° | 109.5° |
| CAZ | CAM | CAN | 109.7° | 109.4° |
| CAZ | CAM | H10 | 108.8° | 109.5° |
| CAM | CAZ | H11 | 109.5° | 109.5° |
| CAM | CAZ | H12 | 109.5° | 109.5° |
| CAM | CAZ | H13 | 109.5° | 109.5° |
| NAG | C2 | N3 | 119.3° | 119.0° |
| C2 | NAG | H6 | 109.5° | 120.0° |
| C2 | NAG | H7 | 109.5° | 120.0° |
| C2 | N3 | C4 | 123.1° | 121.1° |
| CAK | C5 | C4 | 118.7° | 120.9° |
| C5 | CAK | CAL | 178.7° | 180.0° |
| C5 | C4 | N3 | 118.3° | 119.1° |
| C5 | C4 | CAI | 121.4° | 120.4° |
| CAK | CAL | CAM | 177.0° | 180.0° |
| CAL | CAM | CAN | 111.1° | 109.5° |
| CAL | CAM | H10 | 109.7° | 109.5° |
| CAM | CAN | CAS | 119.4° | 120.0° |
| CAM | CAN | CAO | 120.9° | 120.0° |
| CAN | CAM | H10 | 110.5° | 109.4° |
| N3 | C4 | CAI | 120.3° | 120.5° |
| C4 | CAI | CAJ | 109.2° | 109.5° |
| C4 | CAI | H4 | 109.6° | 109.5° |
| C4 | CAI | H5 | 109.6° | 109.4° |
| CAS | OBA | CBB | 111.0° | 116.9° |
| OBA | CAS | CAN | 117.2° | 119.9° |
| OBA | CAS | CAR | 122.7° | 120.0° |
| OBA | CBB | H15 | 109.5° | 109.4° |
| OBA | CBB | H16 | 109.5° | 109.5° |
| OBA | CBB | H17 | 109.5° | 109.5° |
| CAS | CAN | CAO | 119.6° | 120.1° |
| CAN | CAS | CAR | 120.2° | 120.1° |
| CAN | CAO | CAP | 120.9° | 119.9° |
| CAN | CAO | H14 | 119.5° | 120.0° |
| CAS | CAR | CAQ | 119.1° | 120.1° |
| CAS | CAR | H18 | 120.4° | 119.9° |
| CAO | CAP | CAQ | 118.2° | 119.9° |
| CAO | CAP | CAT | 122.7° | 120.0° |
| CAP | CAO | H14 | 119.5° | 120.0° |
| CAI | CAJ | H1 | 109.5° | 109.5° |
| CAI | CAJ | H2 | 109.5° | 109.5° |
| CAI | CAJ | H3 | 109.5° | 109.4° |
| CAJ | CAI | H4 | 109.5° | 109.5° |
| CAJ | CAI | H5 | 109.5° | 109.5° |
| CAV | CAU | CAT | 120.8° | 119.0° |
| CAU | CAV | NAW | 120.8° | 120.9° |
| CAV | CAU | H20 | 119.6° | 120.5° |
| CAU | CAV | H21 | 119.6° | 119.5° |
| CAU | CAT | CAP | 122.2° | 120.9° |
| CAU | CAT | CAY | 118.1° | 118.2° |
| CAT | CAU | H20 | 119.6° | 120.5° |
| CAR | CAQ | CAP | 122.0° | 119.9° |
| CAQ | CAR | H18 | 120.5° | 120.0° |
| CAR | CAQ | H19 | 119.0° | 120.0° |
| CAQ | CAP | CAT | 119.2° | 120.1° |
| CAP | CAQ | H19 | 119.0° | 120.0° |
| CAP | CAT | CAY | 119.6° | 120.9° |
| CAV | NAW | CAX | 118.8° | 122.0° |
| NAW | CAV | H21 | 119.6° | 119.5° |
| CAT | CAY | CAX | 122.4° | 119.0° |
| CAT | CAY | H23 | 118.8° | 120.5° |
| NAW | CAX | CAY | 119.1° | 120.9° |
| NAW | CAX | H22 | 120.5° | 119.5° |
| CAY | CAX | H22 | 120.4° | 119.6° |
| CAX | CAY | H23 | 118.8° | 120.5° |
| H1 | CAJ | H2 | 109.5° | 109.5° |
| H1 | CAJ | H3 | 109.5° | 109.5° |
| H2 | CAJ | H3 | 109.4° | 109.5° |
| H4 | CAI | H5 | 109.5° | 109.5° |
| H6 | NAG | H7 | 109.4° | 120.0° |
| H8 | NAH | H9 | 109.4° | 120.0° |
| H11 | CAZ | H12 | 109.4° | 109.5° |
| H11 | CAZ | H13 | 109.5° | 109.5° |
| H12 | CAZ | H13 | 109.5° | 109.5° |
| H15 | CBB | H16 | 109.5° | 109.5° |
| H15 | CBB | H17 | 109.5° | 109.5° |
| H16 | CBB | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | C6 | N1 | C5 | 179.3° | 179.9° |
| NAH | C6 | N1 | C2 | 179.7° | 180.0° |
| NAH | C6 | C5 | CAK | 0.1° | 0.1° |
| NAH | C6 | C5 | C4 | 179.6° | 180.0° |
| C6 | NAH | H8 | H9 | 120.0° | 180.0° |
| C6 | N1 | C2 | NAG | 179.8° | 179.9° |
| C6 | N1 | C2 | N3 | 0.3° | 0.3° |
| N1 | C6 | C5 | CAK | 179.2° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.1° |
| N1 | C6 | NAH | H8 | 0.0° | 180.0° |
| N1 | C6 | NAH | H9 | 120.0° | 0.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.1° |
| N1 | C2 | NAG | N3 | 179.9° | 179.7° |
| N1 | C2 | N3 | C4 | 0.1° | 0.5° |
| N1 | C2 | NAG | H6 | 0.0° | 0.1° |
| N1 | C2 | NAG | H7 | 120.0° | 180.0° |
| C6 | C5 | CAK | C4 | 179.5° | 179.9° |
| C6 | C5 | CAK | CAL | 4.3° | 139.5° |
| C6 | C5 | C4 | N3 | 0.1° | 0.3° |
| C6 | C5 | C4 | CAI | 179.6° | 180.0° |
| C5 | C6 | NAH | H8 | 179.3° | 0.1° |
| C5 | C6 | NAH | H9 | 60.7° | 180.0° |
| CAZ | CAM | CAL | CAK | 30.5° | 66.8° |
| CAZ | CAM | CAL | CAN | 119.6° | 120.0° |
| CAZ | CAM | CAL | H10 | 117.8° | 120.0° |
| CAZ | CAM | CAN | H10 | 119.9° | 120.0° |
| CAZ | CAM | CAN | CAS | 77.6° | 120.0° |
| CAZ | CAM | CAN | CAO | 102.2° | 59.7° |
| CAM | CAZ | H11 | H12 | 120.0° | 120.0° |
| CAM | CAZ | H11 | H13 | 120.0° | 120.0° |
| CAM | CAZ | H12 | H13 | 120.0° | 120.0° |
| NAG | C2 | N3 | C4 | 179.9° | 179.7° |
| C2 | NAG | H6 | H7 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.5° |
| C2 | N3 | C4 | CAI | 179.5° | 179.7° |
| N3 | C2 | NAG | H6 | 179.9° | 179.8° |
| N3 | C2 | NAG | H7 | 60.0° | 0.3° |
| C5 | CAK | CAL | CAM | 0.2° | 167.4° |
| CAK | C5 | C4 | N3 | 179.4° | 179.8° |
| CAK | C5 | C4 | CAI | 0.0° | 0.0° |
| C4 | C5 | CAK | CAL | 175.2° | 40.6° |
| C5 | C4 | N3 | CAI | 179.5° | 179.8° |
| C5 | C4 | CAI | CAJ | 119.2° | 90.0° |
| C5 | C4 | CAI | H4 | 0.7° | 150.0° |
| C5 | C4 | CAI | H5 | 120.8° | 30.0° |
| CAK | CAL | CAM | CAN | 150.1° | 53.1° |
| CAK | CAL | CAM | H10 | 87.3° | 173.1° |
| CAL | CAM | CAN | H10 | 122.1° | 120.0° |
| CAL | CAM | CAN | CAS | 164.5° | 120.0° |
| CAL | CAM | CAN | CAO | 15.7° | 60.3° |
| CAL | CAM | CAZ | H11 | 180.0° | 60.0° |
| CAL | CAM | CAZ | H12 | 60.0° | 60.0° |
| CAL | CAM | CAZ | H13 | 60.0° | 180.0° |
| CAM | CAN | CAS | OBA | 0.1° | 0.1° |
| CAM | CAN | CAS | CAO | 179.8° | 179.8° |
| CAM | CAN | CAS | CAR | 179.9° | 179.9° |
| CAM | CAN | CAO | CAP | 179.9° | 180.0° |
| CAN | CAM | CAZ | H11 | 59.4° | 60.0° |
| CAN | CAM | CAZ | H12 | 60.6° | 180.0° |
| CAN | CAM | CAZ | H13 | 179.4° | 60.0° |
| CAM | CAN | CAO | H14 | 0.1° | 0.0° |
| N3 | C4 | CAI | CAJ | 60.2° | 90.3° |
| N3 | C4 | CAI | H4 | 179.8° | 29.8° |
| N3 | C4 | CAI | H5 | 59.7° | 149.8° |
| C4 | CAI | CAJ | H4 | 120.0° | 120.0° |
| C4 | CAI | CAJ | H5 | 120.0° | 120.0° |
| C4 | CAI | CAJ | H1 | 180.0° | 180.0° |
| C4 | CAI | CAJ | H2 | 60.0° | 60.0° |
| C4 | CAI | CAJ | H3 | 60.0° | 60.0° |
| C4 | CAI | H4 | H5 | 120.2° | 120.0° |
| OBA | CAS | CAN | CAR | 179.8° | 180.0° |
| OBA | CAS | CAN | CAO | 179.7° | 179.7° |
| OBA | CAS | CAR | CAQ | 179.7° | 180.0° |
| CAS | OBA | CBB | H15 | 180.0° | 180.0° |
| CAS | OBA | CBB | H16 | 60.0° | 60.0° |
| CAS | OBA | CBB | H17 | 60.0° | 60.0° |
| OBA | CAS | CAR | H18 | 0.3° | 0.1° |
| CBB | OBA | CAS | CAN | 176.4° | 180.0° |
| CBB | OBA | CAS | CAR | 3.8° | 0.0° |
| OBA | CBB | H15 | H16 | 120.0° | 120.0° |
| OBA | CBB | H15 | H17 | 120.0° | 120.0° |
| OBA | CBB | H16 | H17 | 120.0° | 119.9° |
| CAS | CAN | CAO | CAP | 0.1° | 0.3° |
| CAN | CAS | CAR | CAQ | 0.1° | 0.1° |
| CAS | CAN | CAM | H10 | 42.3° | 0.0° |
| CAS | CAN | CAO | H14 | 179.9° | 179.8° |
| CAN | CAS | CAR | H18 | 179.9° | 180.0° |
| CAO | CAN | CAS | CAR | 0.1° | 0.3° |
| CAN | CAO | CAP | H14 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.0° | 0.0° |
| CAN | CAO | CAP | CAT | 179.1° | 179.9° |
| CAO | CAN | CAM | H10 | 137.9° | 179.7° |
| CAS | CAR | CAQ | H18 | 180.0° | 179.9° |
| CAS | CAR | CAQ | CAP | 0.1° | 0.2° |
| CAS | CAR | CAQ | H19 | 179.9° | 179.9° |
| CAO | CAP | CAT | CAU | 27.9° | 0.3° |
| CAO | CAP | CAQ | CAR | 0.0° | 0.2° |
| CAO | CAP | CAQ | CAT | 179.2° | 179.9° |
| CAO | CAP | CAT | CAY | 151.6° | 180.0° |
| CAO | CAP | CAQ | H19 | 180.0° | 180.0° |
| CAI | CAJ | H1 | H2 | 120.0° | 120.0° |
| CAI | CAJ | H1 | H3 | 120.0° | 119.9° |
| CAI | CAJ | H2 | H3 | 119.9° | 119.9° |
| CAJ | CAI | H4 | H5 | 120.1° | 120.0° |
| CAV | CAU | CAT | H20 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAP | 179.9° | 179.9° |
| CAU | CAV | NAW | H21 | 180.0° | 179.9° |
| CAV | CAU | CAT | CAY | 0.4° | 0.3° |
| CAU | CAV | NAW | CAX | 0.3° | 0.1° |
| CAU | CAT | CAP | CAQ | 153.0° | 179.8° |
| CAU | CAT | CAP | CAY | 179.4° | 179.7° |
| CAT | CAU | CAV | NAW | 0.1° | 0.1° |
| CAU | CAT | CAY | CAX | 0.3° | 0.5° |
| CAT | CAU | CAV | H21 | 179.9° | 180.0° |
| CAU | CAT | CAY | H23 | 179.7° | 179.7° |
| CAR | CAQ | CAP | H19 | 180.0° | 179.7° |
| CAR | CAQ | CAP | CAT | 179.1° | 179.8° |
| CAQ | CAP | CAT | CAY | 27.6° | 0.1° |
| CAQ | CAP | CAO | H14 | 180.0° | 179.9° |
| CAP | CAQ | CAR | H18 | 179.9° | 179.7° |
| CAP | CAT | CAY | CAX | 179.8° | 179.8° |
| CAT | CAP | CAO | H14 | 0.9° | 0.0° |
| CAT | CAP | CAQ | H19 | 0.9° | 0.1° |
| CAP | CAT | CAU | H20 | 0.1° | 0.0° |
| CAP | CAT | CAY | H23 | 0.2° | 0.1° |
| CAV | NAW | CAX | CAY | 0.4° | 0.2° |
| NAW | CAV | CAU | H20 | 179.9° | 180.0° |
| CAV | NAW | CAX | H22 | 179.6° | 180.0° |
| CAT | CAY | CAX | NAW | 0.1° | 0.5° |
| CAT | CAY | CAX | H23 | 180.0° | 179.7° |
| CAY | CAT | CAU | H20 | 179.6° | 179.7° |
| CAT | CAY | CAX | H22 | 179.9° | 179.7° |
| NAW | CAX | CAY | H22 | 180.0° | 179.8° |
| CAX | NAW | CAV | H21 | 179.7° | 180.0° |
| NAW | CAX | CAY | H23 | 179.9° | 179.8° |
| H1 | CAJ | H2 | H3 | 120.0° | 120.0° |
| H1 | CAJ | CAI | H4 | 60.0° | 60.0° |
| H1 | CAJ | CAI | H5 | 60.0° | 60.1° |
| H2 | CAJ | CAI | H4 | 180.0° | 180.0° |
| H2 | CAJ | CAI | H5 | 60.0° | 60.0° |
| H3 | CAJ | CAI | H4 | 60.0° | 60.0° |
| H3 | CAJ | CAI | H5 | 179.9° | 179.9° |
| H10 | CAM | CAZ | H11 | 61.6° | 180.0° |
| H10 | CAM | CAZ | H12 | 178.4° | 60.1° |
| H10 | CAM | CAZ | H13 | 58.4° | 59.9° |
| H11 | CAZ | H12 | H13 | 120.0° | 120.0° |
| H15 | CBB | H16 | H17 | 120.0° | 120.1° |
| H18 | CAR | CAQ | H19 | 0.1° | 0.0° |
| H20 | CAU | CAV | H21 | 0.1° | 0.1° |
| H22 | CAX | CAY | H23 | 0.1° | 0.1° |
