FNJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| OAG | CAB | sing | 1.36Å | 1.41Å | |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAH | sing | 1.51Å | 1.52Å | |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.51Å | 1.51Å | |
| CAJ | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.53Å | 1.51Å | |
| CAN | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAI | sing | 1.53Å | 1.51Å | |
| CAV | CAW | sing | 1.53Å | 1.51Å | |
| CAI | CAP | sing | 1.51Å | 1.51Å | |
| CAQ | CAP | doub | 1.38Å | 1.35Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.51Å | Aromatic |
| CAP | CAU | sing | 1.38Å | 1.51Å | Aromatic |
| CAR | CAS | doub | 1.39Å | 1.35Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.35Å | Aromatic |
| CAS | CAT | sing | 1.39Å | 1.51Å | Aromatic |
| CAS | OAX | sing | 1.36Å | 1.41Å | |
| CAQ | H1 | sing | 1.08Å | 1.08Å | |
| CAR | H2 | sing | 1.08Å | 1.08Å | |
| OAX | H3 | sing | 0.97Å | 0.95Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAV | H7 | sing | 1.09Å | 1.10Å | |
| CAV | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAW | H10 | sing | 1.09Å | 1.10Å | |
| CAW | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAD | H13 | sing | 1.08Å | 1.08Å | |
| CAC | H14 | sing | 1.08Å | 1.08Å | |
| OAG | H15 | sing | 0.97Å | 0.95Å | |
| CAA | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å | |
| CAL | H19 | sing | 1.08Å | 1.08Å | |
| CAM | H20 | sing | 1.08Å | 1.08Å | |
| CAN | H21 | sing | 1.08Å | 1.08Å | |
| CAO | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAA | CAB | 120.1° | 119.9° |
| CAA | CAF | CAE | 120.2° | 120.0° |
| CAF | CAA | H16 | 119.9° | 120.0° |
| CAA | CAF | H17 | 119.9° | 120.0° |
| CAA | CAB | OAG | 119.9° | 120.1° |
| CAA | CAB | CAC | 120.0° | 119.9° |
| CAB | CAA | H16 | 120.0° | 120.1° |
| CAF | CAE | CAH | 119.6° | 119.9° |
| CAF | CAE | CAD | 119.6° | 120.2° |
| CAE | CAF | H17 | 119.9° | 120.0° |
| CAK | CAL | CAM | 119.9° | 120.0° |
| CAL | CAK | CAJ | 120.1° | 120.0° |
| CAL | CAK | H18 | 120.0° | 120.0° |
| CAK | CAL | H19 | 120.0° | 120.0° |
| CAL | CAM | CAN | 120.1° | 120.0° |
| CAM | CAL | H19 | 120.1° | 120.0° |
| CAL | CAM | H20 | 119.9° | 120.0° |
| CAK | CAJ | CAH | 119.8° | 120.0° |
| CAK | CAJ | CAO | 120.0° | 120.1° |
| CAJ | CAK | H18 | 120.0° | 120.0° |
| OAG | CAB | CAC | 120.1° | 120.0° |
| CAB | OAG | H15 | 109.5° | 114.0° |
| CAB | CAC | CAD | 119.9° | 119.9° |
| CAB | CAC | H14 | 120.0° | 120.0° |
| CAM | CAN | CAO | 119.9° | 120.0° |
| CAN | CAM | H20 | 119.9° | 120.0° |
| CAM | CAN | H21 | 120.0° | 120.0° |
| CAH | CAE | CAD | 120.8° | 119.9° |
| CAE | CAH | CAJ | 110.3° | 109.5° |
| CAE | CAH | CAI | 113.1° | 109.5° |
| CAE | CAH | H12 | 105.6° | 109.5° |
| CAE | CAD | CAC | 120.2° | 120.0° |
| CAE | CAD | H13 | 119.9° | 120.0° |
| CAH | CAJ | CAO | 120.2° | 119.9° |
| CAJ | CAH | CAI | 115.7° | 109.5° |
| CAJ | CAH | H12 | 105.6° | 109.5° |
| CAJ | CAO | CAN | 120.0° | 120.0° |
| CAJ | CAO | H22 | 120.0° | 120.1° |
| CAH | CAI | CAV | 112.5° | 109.5° |
| CAH | CAI | CAP | 117.4° | 109.5° |
| CAH | CAI | H6 | 104.7° | 109.4° |
| CAI | CAH | H12 | 105.6° | 109.4° |
| CAO | CAN | H21 | 120.0° | 120.0° |
| CAN | CAO | H22 | 120.0° | 119.9° |
| CAC | CAD | H13 | 119.9° | 120.0° |
| CAD | CAC | H14 | 120.0° | 120.0° |
| CAI | CAV | CAW | 108.0° | 109.5° |
| CAV | CAI | CAP | 111.4° | 109.5° |
| CAV | CAI | H6 | 104.7° | 109.5° |
| CAI | CAV | H7 | 109.8° | 109.4° |
| CAI | CAV | H8 | 109.9° | 109.5° |
| CAW | CAV | H7 | 109.8° | 109.4° |
| CAW | CAV | H8 | 109.8° | 109.5° |
| CAV | CAW | H9 | 109.5° | 109.5° |
| CAV | CAW | H10 | 109.5° | 109.5° |
| CAV | CAW | H11 | 109.5° | 109.5° |
| CAI | CAP | CAQ | 119.3° | 119.9° |
| CAI | CAP | CAU | 120.8° | 119.9° |
| CAP | CAI | H6 | 104.7° | 109.5° |
| CAP | CAQ | CAR | 120.3° | 120.0° |
| CAQ | CAP | CAU | 119.9° | 120.2° |
| CAP | CAQ | H1 | 119.9° | 120.0° |
| CAQ | CAR | CAS | 119.8° | 120.0° |
| CAR | CAQ | H1 | 119.8° | 120.0° |
| CAQ | CAR | H2 | 120.1° | 120.0° |
| CAP | CAU | CAT | 119.8° | 120.0° |
| CAP | CAU | H5 | 120.1° | 120.1° |
| CAR | CAS | CAT | 120.0° | 119.8° |
| CAR | CAS | OAX | 120.1° | 120.1° |
| CAS | CAR | H2 | 120.1° | 120.0° |
| CAU | CAT | CAS | 120.2° | 119.9° |
| CAU | CAT | H4 | 119.9° | 120.0° |
| CAT | CAU | H5 | 120.1° | 119.9° |
| CAT | CAS | OAX | 119.9° | 120.1° |
| CAS | CAT | H4 | 119.9° | 120.0° |
| CAS | OAX | H3 | 109.5° | 114.0° |
| H7 | CAV | H8 | 109.5° | 109.5° |
| H9 | CAW | H10 | 109.5° | 109.4° |
| H9 | CAW | H11 | 109.4° | 109.5° |
| H10 | CAW | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAA | CAB | H16 | 180.0° | 179.5° |
| CAA | CAF | CAE | H17 | 180.0° | 179.6° |
| CAF | CAA | CAB | OAG | 180.0° | 179.7° |
| CAF | CAA | CAB | CAC | 0.0° | 0.2° |
| CAA | CAF | CAE | CAH | 179.9° | 179.8° |
| CAA | CAF | CAE | CAD | 0.1° | 0.5° |
| CAB | CAA | CAF | CAE | 0.0° | 0.5° |
| CAA | CAB | OAG | CAC | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.1° | 0.0° |
| CAA | CAB | CAC | H14 | 179.9° | 179.9° |
| CAA | CAB | OAG | H15 | 180.0° | 90.0° |
| CAB | CAA | CAF | H17 | 179.9° | 180.0° |
| CAF | CAE | CAH | CAD | 180.0° | 179.7° |
| CAF | CAE | CAH | CAJ | 74.3° | 112.0° |
| CAF | CAE | CAH | CAI | 154.3° | 128.0° |
| CAF | CAE | CAD | CAC | 0.2° | 0.3° |
| CAF | CAE | CAH | H12 | 39.3° | 8.0° |
| CAF | CAE | CAD | H13 | 179.8° | 179.8° |
| CAE | CAF | CAA | H16 | 179.9° | 180.0° |
| CAK | CAL | CAM | H19 | 180.0° | 179.9° |
| CAL | CAK | CAJ | H18 | 180.0° | 180.0° |
| CAK | CAL | CAM | CAN | 0.1° | 0.1° |
| CAL | CAK | CAJ | CAH | 179.9° | 180.0° |
| CAL | CAK | CAJ | CAO | 0.4° | 0.3° |
| CAK | CAL | CAM | H20 | 179.9° | 180.0° |
| CAM | CAL | CAK | CAJ | 0.3° | 0.0° |
| CAL | CAM | CAN | H20 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 0.0° | 0.2° |
| CAM | CAL | CAK | H18 | 179.7° | 180.0° |
| CAL | CAM | CAN | H21 | 180.0° | 180.0° |
| CAK | CAJ | CAH | CAE | 140.1° | 68.0° |
| CAK | CAJ | CAH | CAO | 179.5° | 179.7° |
| CAK | CAJ | CAH | CAI | 89.9° | 52.0° |
| CAK | CAJ | CAO | CAN | 0.4° | 0.5° |
| CAK | CAJ | CAH | H12 | 26.5° | 172.0° |
| CAJ | CAK | CAL | H19 | 179.7° | 179.9° |
| CAK | CAJ | CAO | H22 | 179.6° | 179.7° |
| OAG | CAB | CAC | CAD | 179.9° | 179.9° |
| OAG | CAB | CAC | H14 | 0.1° | 0.0° |
| OAG | CAB | CAA | H16 | 0.1° | 0.2° |
| CAB | CAC | CAD | CAE | 0.2° | 0.0° |
| CAB | CAC | CAD | H14 | 180.0° | 179.9° |
| CAB | CAC | CAD | H13 | 179.8° | 180.0° |
| CAC | CAB | OAG | H15 | 0.0° | 90.0° |
| CAC | CAB | CAA | H16 | 179.9° | 179.8° |
| CAM | CAN | CAO | CAJ | 0.2° | 0.4° |
| CAM | CAN | CAO | H21 | 180.0° | 179.9° |
| CAN | CAM | CAL | H19 | 179.9° | 180.0° |
| CAM | CAN | CAO | H22 | 179.8° | 179.7° |
| CAE | CAH | CAJ | CAI | 130.0° | 120.0° |
| CAE | CAH | CAJ | H12 | 113.6° | 120.0° |
| CAE | CAH | CAJ | CAO | 39.3° | 112.3° |
| CAE | CAH | CAI | H12 | 115.0° | 120.0° |
| CAH | CAE | CAD | CAC | 179.8° | 180.0° |
| CAE | CAH | CAI | CAV | 72.4° | 60.0° |
| CAE | CAH | CAI | CAP | 156.4° | 180.0° |
| CAE | CAH | CAI | H6 | 40.7° | 60.0° |
| CAH | CAE | CAD | H13 | 0.2° | 0.0° |
| CAH | CAE | CAF | H17 | 0.1° | 0.2° |
| CAD | CAE | CAH | CAJ | 105.7° | 67.7° |
| CAD | CAE | CAH | CAI | 25.7° | 52.3° |
| CAE | CAD | CAC | H13 | 180.0° | 179.9° |
| CAD | CAE | CAH | H12 | 140.7° | 172.2° |
| CAE | CAD | CAC | H14 | 179.8° | 180.0° |
| CAD | CAE | CAF | H17 | 179.9° | 179.9° |
| CAJ | CAH | CAI | H12 | 116.4° | 120.1° |
| CAH | CAJ | CAO | CAN | 179.8° | 179.8° |
| CAJ | CAH | CAI | CAV | 159.0° | 180.0° |
| CAJ | CAH | CAI | CAP | 27.8° | 60.0° |
| CAJ | CAH | CAI | H6 | 87.9° | 59.9° |
| CAH | CAJ | CAK | H18 | 0.1° | 0.0° |
| CAH | CAJ | CAO | H22 | 0.2° | 0.0° |
| CAO | CAJ | CAH | CAI | 90.6° | 127.7° |
| CAJ | CAO | CAN | H22 | 180.0° | 179.8° |
| CAO | CAJ | CAH | H12 | 152.9° | 7.7° |
| CAO | CAJ | CAK | H18 | 179.6° | 179.7° |
| CAJ | CAO | CAN | H21 | 179.9° | 179.7° |
| CAH | CAI | CAV | CAP | 134.2° | 120.0° |
| CAH | CAI | CAV | H6 | 113.1° | 120.0° |
| CAH | CAI | CAV | CAW | 143.0° | 175.0° |
| CAH | CAI | CAP | H6 | 115.6° | 119.9° |
| CAH | CAI | CAP | CAQ | 97.3° | 120.0° |
| CAH | CAI | CAP | CAU | 83.7° | 60.0° |
| CAH | CAI | CAV | H7 | 23.3° | 55.1° |
| CAH | CAI | CAV | H8 | 97.2° | 65.0° |
| CAO | CAN | CAM | H20 | 179.9° | 179.8° |
| CAI | CAV | CAW | H7 | 119.8° | 119.9° |
| CAI | CAV | CAW | H8 | 119.8° | 120.0° |
| CAV | CAI | CAP | H6 | 112.7° | 120.1° |
| CAV | CAI | CAP | CAQ | 34.4° | 120.0° |
| CAV | CAI | CAP | CAU | 144.5° | 60.0° |
| CAI | CAV | H7 | H8 | 120.7° | 120.0° |
| CAI | CAV | CAW | H9 | 180.0° | 180.0° |
| CAI | CAV | CAW | H10 | 60.0° | 60.0° |
| CAI | CAV | CAW | H11 | 60.0° | 59.9° |
| CAV | CAI | CAH | H12 | 42.6° | 59.9° |
| CAW | CAV | CAI | CAP | 82.8° | 65.0° |
| CAW | CAV | CAI | H6 | 29.9° | 55.0° |
| CAW | CAV | H7 | H8 | 120.7° | 120.0° |
| CAV | CAW | H9 | H10 | 120.0° | 120.0° |
| CAV | CAW | H9 | H11 | 120.0° | 120.0° |
| CAV | CAW | H10 | H11 | 120.0° | 120.0° |
| CAI | CAP | CAQ | CAU | 178.9° | 180.0° |
| CAI | CAP | CAQ | CAR | 179.5° | 179.9° |
| CAI | CAP | CAU | CAT | 179.6° | 180.0° |
| CAI | CAP | CAQ | H1 | 0.5° | 0.3° |
| CAI | CAP | CAU | H5 | 0.4° | 0.0° |
| CAP | CAI | CAV | H7 | 157.5° | 175.0° |
| CAP | CAI | CAV | H8 | 37.0° | 55.0° |
| CAP | CAI | CAH | H12 | 88.7° | 60.0° |
| CAP | CAQ | CAR | H1 | 180.0° | 179.7° |
| CAP | CAQ | CAR | CAS | 0.2° | 0.0° |
| CAQ | CAP | CAU | CAT | 0.7° | 0.0° |
| CAP | CAQ | CAR | H2 | 179.8° | 180.0° |
| CAQ | CAP | CAU | H5 | 179.3° | 180.0° |
| CAQ | CAP | CAI | H6 | 147.1° | 0.0° |
| CAR | CAQ | CAP | CAU | 0.5° | 0.0° |
| CAQ | CAR | CAS | H2 | 180.0° | 179.9° |
| CAQ | CAR | CAS | CAT | 0.1° | 0.0° |
| CAQ | CAR | CAS | OAX | 180.0° | 180.0° |
| CAP | CAU | CAT | H5 | 180.0° | 180.0° |
| CAP | CAU | CAT | CAS | 0.4° | 0.0° |
| CAU | CAP | CAQ | H1 | 179.4° | 179.7° |
| CAP | CAU | CAT | H4 | 179.6° | 180.0° |
| CAU | CAP | CAI | H6 | 31.9° | 180.0° |
| CAR | CAS | CAT | CAU | 0.1° | 0.0° |
| CAR | CAS | CAT | OAX | 180.0° | 180.0° |
| CAS | CAR | CAQ | H1 | 179.8° | 179.7° |
| CAR | CAS | OAX | H3 | 180.0° | 90.0° |
| CAR | CAS | CAT | H4 | 179.9° | 180.0° |
| CAU | CAT | CAS | H4 | 180.0° | 180.0° |
| CAU | CAT | CAS | OAX | 179.9° | 180.0° |
| CAT | CAS | CAR | H2 | 180.0° | 179.9° |
| CAT | CAS | OAX | H3 | 0.0° | 90.0° |
| CAS | CAT | CAU | H5 | 179.6° | 180.0° |
| OAX | CAS | CAR | H2 | 0.0° | 0.1° |
| OAX | CAS | CAT | H4 | 0.1° | 0.0° |
| H1 | CAQ | CAR | H2 | 0.2° | 0.4° |
| H4 | CAT | CAU | H5 | 0.4° | 0.0° |
| H6 | CAI | CAV | H7 | 89.9° | 65.0° |
| H6 | CAI | CAV | H8 | 149.7° | 175.0° |
| H6 | CAI | CAH | H12 | 155.7° | 180.0° |
| H7 | CAV | CAW | H9 | 60.2° | 60.1° |
| H7 | CAV | CAW | H10 | 179.8° | 180.0° |
| H7 | CAV | CAW | H11 | 59.8° | 60.0° |
| H8 | CAV | CAW | H9 | 60.2° | 60.0° |
| H8 | CAV | CAW | H10 | 59.8° | 60.0° |
| H8 | CAV | CAW | H11 | 179.8° | 180.0° |
| H9 | CAW | H10 | H11 | 120.0° | 120.0° |
| H13 | CAD | CAC | H14 | 0.2° | 0.1° |
| H16 | CAA | CAF | H17 | 0.1° | 0.4° |
| H18 | CAK | CAL | H19 | 0.3° | 0.1° |
| H19 | CAL | CAM | H20 | 0.1° | 0.0° |
| H20 | CAM | CAN | H21 | 0.0° | 0.1° |
| H21 | CAN | CAO | H22 | 0.2° | 0.1° |
