GFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | OAX | sing | 1.43Å | 1.43Å | |
| OAX | CAV | sing | 1.36Å | 1.37Å | |
| CAV | CAW | doub | 1.39Å | 1.38Å | Aromatic |
| CAV | CAU | sing | 1.39Å | 1.37Å | Aromatic |
| CAW | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | OAZ | sing | 1.36Å | 1.35Å | |
| CAU | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAN | sing | 1.51Å | 1.41Å | |
| CAN | CAO | sing | 1.54Å | 1.51Å | |
| CAN | OAM | sing | 1.44Å | 1.52Å | |
| CAO | CAP | sing | 1.53Å | 1.52Å | |
| CAO | CAK | sing | 1.55Å | 1.50Å | |
| CAP | OAQ | sing | 1.43Å | 1.44Å | |
| OAM | CAL | sing | 1.44Å | 1.39Å | |
| CAL | CAK | sing | 1.55Å | 1.57Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAE | sing | 1.51Å | 1.36Å | |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.37Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | OAI | sing | 1.36Å | 1.35Å | |
| CAH | CAC | doub | 1.39Å | 1.38Å | Aromatic |
| CAC | OAB | sing | 1.36Å | 1.35Å | |
| OAB | CAA | sing | 1.43Å | 1.42Å | |
| CAY | H1 | sing | 1.09Å | 1.10Å | |
| CAY | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAW | H4 | sing | 1.08Å | 1.08Å | |
| OAZ | H5 | sing | 0.97Å | 0.95Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAS | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| OAQ | H12 | sing | 0.97Å | 0.95Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAD | H18 | sing | 1.08Å | 1.08Å | |
| CAF | H19 | sing | 1.08Å | 1.08Å | |
| CAG | H20 | sing | 1.08Å | 1.08Å | |
| OAI | H21 | sing | 0.97Å | 0.95Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | OAX | CAV | 111.0° | 117.0° |
| OAX | CAY | H1 | 109.5° | 109.5° |
| OAX | CAY | H2 | 109.5° | 109.5° |
| OAX | CAY | H3 | 109.5° | 109.4° |
| OAX | CAV | CAW | 125.1° | 120.1° |
| OAX | CAV | CAU | 115.8° | 120.1° |
| CAW | CAV | CAU | 119.0° | 119.8° |
| CAV | CAW | CAR | 121.6° | 120.0° |
| CAV | CAW | H4 | 119.2° | 120.0° |
| CAV | CAU | OAZ | 114.8° | 120.0° |
| CAV | CAU | CAT | 120.7° | 119.9° |
| CAW | CAR | CAS | 119.4° | 120.1° |
| CAW | CAR | CAN | 113.3° | 119.9° |
| CAR | CAW | H4 | 119.2° | 120.0° |
| OAZ | CAU | CAT | 124.4° | 120.1° |
| CAU | OAZ | H5 | 109.5° | 113.9° |
| CAU | CAT | CAS | 120.5° | 120.0° |
| CAU | CAT | H6 | 119.8° | 120.0° |
| CAT | CAS | CAR | 118.7° | 120.1° |
| CAS | CAT | H6 | 119.8° | 120.0° |
| CAT | CAS | H7 | 120.6° | 119.9° |
| CAS | CAR | CAN | 126.9° | 119.9° |
| CAR | CAS | H7 | 120.7° | 119.9° |
| CAR | CAN | CAO | 112.2° | 109.9° |
| CAR | CAN | OAM | 119.6° | 109.9° |
| CAR | CAN | H8 | 109.6° | 109.9° |
| CAO | CAN | OAM | 98.4° | 107.3° |
| CAN | CAO | CAP | 110.3° | 110.5° |
| CAN | CAO | CAK | 106.9° | 104.2° |
| CAO | CAN | H8 | 108.1° | 109.9° |
| CAN | CAO | H9 | 113.2° | 110.5° |
| CAN | OAM | CAL | 82.1° | 107.0° |
| OAM | CAN | H8 | 108.1° | 110.0° |
| CAP | CAO | CAK | 98.8° | 110.5° |
| CAO | CAP | OAQ | 110.5° | 109.5° |
| CAP | CAO | H9 | 113.1° | 110.4° |
| CAO | CAP | H10 | 109.2° | 109.5° |
| CAO | CAP | H11 | 109.2° | 109.4° |
| CAO | CAK | CAL | 87.5° | 102.1° |
| CAO | CAK | CAJ | 141.8° | 110.9° |
| CAK | CAO | H9 | 113.4° | 110.6° |
| CAO | CAK | H15 | 109.2° | 110.9° |
| OAQ | CAP | H10 | 109.2° | 109.5° |
| OAQ | CAP | H11 | 109.2° | 109.5° |
| CAP | OAQ | H12 | 109.5° | 114.0° |
| OAM | CAL | CAK | 117.0° | 103.5° |
| OAM | CAL | H13 | 107.6° | 110.6° |
| OAM | CAL | H14 | 107.6° | 110.6° |
| CAL | CAK | CAJ | 82.2° | 110.9° |
| CAK | CAL | H13 | 107.6° | 110.7° |
| CAK | CAL | H14 | 107.6° | 110.6° |
| CAL | CAK | H15 | 108.4° | 110.9° |
| CAK | CAJ | CAE | 116.7° | 109.4° |
| CAJ | CAK | H15 | 108.9° | 110.9° |
| CAK | CAJ | H16 | 107.6° | 109.5° |
| CAK | CAJ | H17 | 107.6° | 109.5° |
| CAJ | CAE | CAD | 114.8° | 119.9° |
| CAJ | CAE | CAF | 123.6° | 119.9° |
| CAE | CAJ | H16 | 107.7° | 109.5° |
| CAE | CAJ | H17 | 107.6° | 109.5° |
| CAD | CAE | CAF | 121.4° | 120.1° |
| CAE | CAD | CAC | 119.0° | 120.0° |
| CAE | CAD | H18 | 120.5° | 120.0° |
| CAE | CAF | CAG | 119.0° | 120.2° |
| CAE | CAF | H19 | 120.5° | 119.9° |
| CAD | CAC | CAH | 120.1° | 119.8° |
| CAD | CAC | OAB | 122.6° | 120.1° |
| CAC | CAD | H18 | 120.5° | 120.0° |
| CAF | CAG | CAH | 118.9° | 120.0° |
| CAG | CAF | H19 | 120.5° | 119.9° |
| CAF | CAG | H20 | 120.6° | 120.0° |
| CAG | CAH | OAI | 123.0° | 120.1° |
| CAG | CAH | CAC | 121.5° | 119.9° |
| CAH | CAG | H20 | 120.6° | 120.0° |
| OAI | CAH | CAC | 115.5° | 120.0° |
| CAH | OAI | H21 | 109.5° | 114.0° |
| CAH | CAC | OAB | 117.3° | 120.1° |
| CAC | OAB | CAA | 108.3° | 117.0° |
| OAB | CAA | H22 | 109.5° | 109.5° |
| OAB | CAA | H23 | 109.5° | 109.5° |
| OAB | CAA | H24 | 109.4° | 109.5° |
| H1 | CAY | H2 | 109.5° | 109.5° |
| H1 | CAY | H3 | 109.4° | 109.4° |
| H2 | CAY | H3 | 109.5° | 109.5° |
| H10 | CAP | H11 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.5° | 110.7° |
| H16 | CAJ | H17 | 109.5° | 109.5° |
| H22 | CAA | H23 | 109.5° | 109.5° |
| H22 | CAA | H24 | 109.5° | 109.5° |
| H23 | CAA | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | OAX | CAV | CAW | 2.6° | 0.0° |
| CAY | OAX | CAV | CAU | 179.8° | 179.7° |
| OAX | CAY | H1 | H2 | 120.0° | 120.0° |
| OAX | CAY | H1 | H3 | 120.0° | 119.9° |
| OAX | CAY | H2 | H3 | 120.0° | 120.0° |
| OAX | CAV | CAW | CAU | 177.5° | 179.7° |
| OAX | CAV | CAW | CAR | 178.3° | 179.9° |
| OAX | CAV | CAU | OAZ | 2.1° | 0.1° |
| OAX | CAV | CAU | CAT | 178.9° | 180.0° |
| CAV | OAX | CAY | H1 | 180.0° | 179.9° |
| CAV | OAX | CAY | H2 | 60.0° | 60.0° |
| CAV | OAX | CAY | H3 | 60.0° | 60.0° |
| OAX | CAV | CAW | H4 | 1.8° | 0.1° |
| CAV | CAW | CAR | H4 | 180.0° | 180.0° |
| CAW | CAV | CAU | OAZ | 179.8° | 179.7° |
| CAW | CAV | CAU | CAT | 3.3° | 0.3° |
| CAV | CAW | CAR | CAS | 4.3° | 0.1° |
| CAV | CAW | CAR | CAN | 177.0° | 180.0° |
| CAU | CAV | CAW | CAR | 4.2° | 0.3° |
| CAV | CAU | OAZ | CAT | 176.7° | 180.0° |
| CAV | CAU | CAT | CAS | 2.6° | 0.0° |
| CAU | CAV | CAW | H4 | 175.8° | 179.7° |
| CAV | CAU | OAZ | H5 | 180.0° | 90.0° |
| CAV | CAU | CAT | H6 | 177.3° | 180.0° |
| CAW | CAR | CAS | CAT | 3.4° | 0.4° |
| CAW | CAR | CAS | CAN | 171.7° | 179.9° |
| CAW | CAR | CAN | CAO | 166.2° | 100.1° |
| CAW | CAR | CAN | OAM | 79.4° | 142.1° |
| CAW | CAR | CAS | H7 | 176.6° | 180.0° |
| CAW | CAR | CAN | H8 | 46.1° | 21.0° |
| OAZ | CAU | CAT | CAS | 179.1° | 180.0° |
| OAZ | CAU | CAT | H6 | 0.8° | 0.0° |
| CAU | CAT | CAS | H6 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAR | 2.6° | 0.3° |
| CAT | CAU | OAZ | H5 | 3.3° | 90.0° |
| CAU | CAT | CAS | H7 | 177.4° | 179.9° |
| CAT | CAS | CAR | H7 | 180.0° | 179.6° |
| CAT | CAS | CAR | CAN | 175.1° | 179.7° |
| CAS | CAR | CAN | CAO | 21.7° | 80.0° |
| CAS | CAR | CAN | OAM | 92.7° | 37.8° |
| CAS | CAR | CAW | H4 | 175.7° | 179.9° |
| CAR | CAS | CAT | H6 | 177.4° | 179.7° |
| CAS | CAR | CAN | H8 | 141.8° | 158.9° |
| CAR | CAN | CAO | OAM | 126.8° | 119.4° |
| CAR | CAN | CAO | H8 | 121.0° | 121.0° |
| CAR | CAN | OAM | H8 | 126.2° | 121.1° |
| CAR | CAN | CAO | CAP | 75.2° | 119.8° |
| CAR | CAN | CAO | CAK | 178.3° | 121.5° |
| CAR | CAN | OAM | CAL | 177.8° | 145.9° |
| CAN | CAR | CAW | H4 | 2.9° | 0.0° |
| CAN | CAR | CAS | H7 | 5.0° | 0.1° |
| CAR | CAN | CAO | H9 | 52.7° | 2.6° |
| CAO | CAN | OAM | H8 | 112.3° | 119.5° |
| CAN | CAO | CAP | CAK | 111.8° | 114.8° |
| CAN | CAO | CAP | H9 | 128.0° | 122.5° |
| CAN | CAO | CAK | H9 | 125.5° | 118.8° |
| CAN | CAO | CAP | OAQ | 175.8° | 66.4° |
| CAO | CAN | OAM | CAL | 60.7° | 26.5° |
| CAN | CAO | CAK | CAL | 13.2° | 20.9° |
| CAN | CAO | CAK | CAJ | 60.7° | 139.1° |
| CAN | CAO | CAP | H10 | 55.6° | 173.6° |
| CAN | CAO | CAP | H11 | 64.1° | 53.6° |
| CAN | CAO | CAK | H15 | 121.9° | 97.3° |
| OAM | CAN | CAO | CAP | 158.0° | 120.7° |
| OAM | CAN | CAO | CAK | 51.5° | 2.0° |
| CAN | OAM | CAL | CAK | 63.0° | 40.0° |
| OAM | CAN | CAO | H9 | 74.1° | 116.8° |
| CAN | OAM | CAL | H13 | 175.9° | 158.6° |
| CAN | OAM | CAL | H14 | 58.0° | 78.5° |
| CAP | CAO | CAK | H9 | 120.0° | 122.5° |
| CAO | CAP | OAQ | H10 | 120.2° | 120.0° |
| CAO | CAP | OAQ | H11 | 120.2° | 119.9° |
| CAP | CAO | CAK | CAL | 127.8° | 97.8° |
| CAP | CAO | CAK | CAJ | 53.8° | 20.4° |
| CAP | CAO | CAN | H8 | 45.7° | 1.2° |
| CAO | CAP | H10 | H11 | 119.5° | 119.9° |
| CAO | CAP | OAQ | H12 | 180.0° | 180.0° |
| CAP | CAO | CAK | H15 | 123.6° | 144.0° |
| CAK | CAO | CAP | OAQ | 64.0° | 178.8° |
| CAO | CAK | CAL | OAM | 34.6° | 37.0° |
| CAO | CAK | CAL | CAJ | 143.2° | 118.2° |
| CAO | CAK | CAL | H15 | 109.4° | 118.1° |
| CAO | CAK | CAJ | H15 | 177.4° | 123.6° |
| CAO | CAK | CAJ | CAE | 172.7° | 175.0° |
| CAK | CAO | CAN | H8 | 60.7° | 117.5° |
| CAK | CAO | CAP | H10 | 56.2° | 58.7° |
| CAK | CAO | CAP | H11 | 175.8° | 61.2° |
| CAO | CAK | CAL | H13 | 155.7° | 155.5° |
| CAO | CAK | CAL | H14 | 86.5° | 81.5° |
| CAO | CAK | CAJ | H16 | 51.6° | 65.0° |
| CAO | CAK | CAJ | H17 | 66.3° | 55.0° |
| OAQ | CAP | CAO | H9 | 56.2° | 56.1° |
| OAQ | CAP | H10 | H11 | 119.5° | 120.0° |
| OAM | CAL | CAK | H13 | 121.1° | 118.5° |
| OAM | CAL | CAK | H14 | 121.1° | 118.5° |
| OAM | CAL | CAK | CAJ | 177.7° | 155.2° |
| CAL | OAM | CAN | H8 | 51.6° | 93.0° |
| OAM | CAL | H13 | H14 | 116.6° | 122.9° |
| OAM | CAL | CAK | H15 | 74.9° | 81.2° |
| CAL | CAK | CAJ | H15 | 106.9° | 123.7° |
| CAL | CAK | CAJ | CAE | 96.9° | 72.3° |
| CAL | CAK | CAO | H9 | 112.2° | 139.6° |
| CAK | CAL | H13 | H14 | 116.6° | 123.0° |
| CAL | CAK | CAJ | H16 | 24.1° | 47.7° |
| CAL | CAK | CAJ | H17 | 142.0° | 167.7° |
| CAK | CAJ | CAE | H16 | 121.0° | 120.0° |
| CAK | CAJ | CAE | H17 | 121.0° | 120.0° |
| CAK | CAJ | CAE | CAD | 174.0° | 90.0° |
| CAK | CAJ | CAE | CAF | 1.8° | 90.3° |
| CAJ | CAK | CAO | H9 | 173.8° | 102.2° |
| CAJ | CAK | CAL | H13 | 61.2° | 86.3° |
| CAJ | CAK | CAL | H14 | 56.7° | 36.7° |
| CAK | CAJ | H16 | H17 | 116.7° | 120.0° |
| CAJ | CAE | CAD | CAF | 176.0° | 179.7° |
| CAJ | CAE | CAD | CAC | 178.0° | 180.0° |
| CAJ | CAE | CAF | CAG | 177.5° | 180.0° |
| CAE | CAJ | CAK | H15 | 9.9° | 51.4° |
| CAE | CAJ | H16 | H17 | 116.8° | 120.0° |
| CAJ | CAE | CAD | H18 | 2.0° | 0.0° |
| CAJ | CAE | CAF | H19 | 2.5° | 0.0° |
| CAE | CAD | CAC | H18 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 1.9° | 0.3° |
| CAE | CAD | CAC | CAH | 1.3° | 0.0° |
| CAE | CAD | CAC | OAB | 179.6° | 180.0° |
| CAD | CAE | CAJ | H16 | 53.0° | 30.0° |
| CAD | CAE | CAJ | H17 | 64.9° | 150.0° |
| CAD | CAE | CAF | H19 | 178.1° | 179.8° |
| CAF | CAE | CAD | CAC | 2.1° | 0.2° |
| CAE | CAF | CAG | H19 | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 1.0° | 0.0° |
| CAF | CAE | CAJ | H16 | 122.8° | 149.7° |
| CAF | CAE | CAJ | H17 | 119.2° | 29.7° |
| CAF | CAE | CAD | H18 | 177.9° | 179.8° |
| CAE | CAF | CAG | H20 | 179.0° | 180.0° |
| CAD | CAC | CAH | CAG | 0.5° | 0.2° |
| CAD | CAC | CAH | OAI | 179.5° | 180.0° |
| CAD | CAC | CAH | OAB | 179.1° | 180.0° |
| CAD | CAC | OAB | CAA | 0.0° | 0.0° |
| CAF | CAG | CAH | H20 | 180.0° | 180.0° |
| CAF | CAG | CAH | OAI | 179.6° | 180.0° |
| CAF | CAG | CAH | CAC | 0.4° | 0.2° |
| CAG | CAH | OAI | CAC | 180.0° | 179.8° |
| CAG | CAH | CAC | OAB | 179.6° | 179.8° |
| CAH | CAG | CAF | H19 | 179.0° | 180.0° |
| CAG | CAH | OAI | H21 | 180.0° | 89.9° |
| OAI | CAH | CAC | OAB | 0.3° | 0.0° |
| OAI | CAH | CAG | H20 | 0.4° | 0.1° |
| CAH | CAC | OAB | CAA | 179.1° | 180.0° |
| CAH | CAC | CAD | H18 | 178.7° | 180.0° |
| CAC | CAH | CAG | H20 | 179.7° | 179.7° |
| CAC | CAH | OAI | H21 | 0.0° | 90.3° |
| OAB | CAC | CAD | H18 | 0.4° | 0.0° |
| CAC | OAB | CAA | H22 | 180.0° | 60.0° |
| CAC | OAB | CAA | H23 | 60.0° | 60.0° |
| CAC | OAB | CAA | H24 | 60.0° | 180.0° |
| OAB | CAA | H22 | H23 | 120.0° | 120.0° |
| OAB | CAA | H22 | H24 | 120.0° | 120.0° |
| OAB | CAA | H23 | H24 | 119.9° | 120.0° |
| H1 | CAY | H2 | H3 | 120.0° | 120.0° |
| H6 | CAT | CAS | H7 | 2.6° | 0.0° |
| H8 | CAN | CAO | H9 | 173.7° | 123.6° |
| H9 | CAO | CAP | H10 | 176.4° | 63.9° |
| H9 | CAO | CAP | H11 | 63.9° | 176.1° |
| H9 | CAO | CAK | H15 | 3.6° | 21.4° |
| H10 | CAP | OAQ | H12 | 59.8° | 60.0° |
| H11 | CAP | OAQ | H12 | 59.9° | 60.1° |
| H13 | CAL | CAK | H15 | 46.2° | 37.3° |
| H14 | CAL | CAK | H15 | 164.0° | 160.4° |
| H15 | CAK | CAJ | H16 | 130.9° | 171.4° |
| H15 | CAK | CAJ | H17 | 111.1° | 68.6° |
| H19 | CAF | CAG | H20 | 1.0° | 0.0° |
| H22 | CAA | H23 | H24 | 120.0° | 120.0° |
