F92
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAX | sing | 1.43Å | 1.45Å | |
| CAX | CAK | sing | 1.53Å | 1.51Å | |
| CAX | CAL | sing | 1.53Å | 1.49Å | |
| CAM | CAK | sing | 1.53Å | 1.48Å | |
| CAM | CAY | sing | 1.53Å | 1.52Å | |
| CAJ | NAP | doub | 1.30Å | 1.32Å | Aromatic |
| CAJ | NAZ | sing | 1.35Å | 1.35Å | Aromatic |
| NAP | CAV | sing | 1.34Å | 1.35Å | Aromatic |
| CAL | CAN | sing | 1.53Å | 1.51Å | |
| CAN | CAY | sing | 1.53Å | 1.53Å | |
| CAY | NAZ | sing | 1.46Å | 1.41Å | |
| NAZ | CAW | sing | 1.38Å | 1.36Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.37Å | Aromatic |
| CAV | CAT | sing | 1.48Å | 1.35Å | |
| CAI | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | C4 | sing | 1.47Å | 1.38Å | |
| CAT | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | FAC | sing | 1.35Å | 1.33Å | |
| CAR | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | NAA | sing | 1.38Å | 1.33Å | |
| C2 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAX | H7 | sing | 1.09Å | 1.10Å | |
| OAB | H8 | sing | 0.97Å | 0.95Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å | |
| CAI | H18 | sing | 1.08Å | 1.08Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| NAA | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAX | CAK | 109.4° | 109.5° |
| OAB | CAX | CAL | 107.0° | 109.5° |
| OAB | CAX | H7 | 110.4° | 109.4° |
| CAX | OAB | H8 | 109.5° | 114.0° |
| CAK | CAX | CAL | 110.7° | 109.5° |
| CAX | CAK | CAM | 112.0° | 109.5° |
| CAX | CAK | H5 | 108.8° | 109.4° |
| CAX | CAK | H6 | 108.8° | 109.5° |
| CAK | CAX | H7 | 109.5° | 109.4° |
| CAX | CAL | CAN | 105.6° | 109.5° |
| CAL | CAX | H7 | 109.8° | 109.5° |
| CAX | CAL | H9 | 110.4° | 109.5° |
| CAX | CAL | H10 | 110.5° | 109.5° |
| CAK | CAM | CAY | 105.5° | 109.5° |
| CAK | CAM | H3 | 110.5° | 109.4° |
| CAK | CAM | H4 | 110.5° | 109.5° |
| CAM | CAK | H5 | 108.8° | 109.4° |
| CAM | CAK | H6 | 108.8° | 109.5° |
| CAM | CAY | CAN | 109.2° | 109.5° |
| CAM | CAY | NAZ | 112.6° | 109.5° |
| CAY | CAM | H3 | 110.4° | 109.5° |
| CAY | CAM | H4 | 110.5° | 109.5° |
| CAM | CAY | H13 | 109.3° | 109.5° |
| NAP | CAJ | NAZ | 109.0° | 109.6° |
| CAJ | NAP | CAV | 107.9° | 109.6° |
| NAP | CAJ | H14 | 125.5° | 125.2° |
| CAJ | NAZ | CAY | 121.4° | 126.3° |
| CAJ | NAZ | CAW | 108.4° | 107.3° |
| NAZ | CAJ | H14 | 125.5° | 125.2° |
| NAP | CAV | CAW | 108.9° | 107.3° |
| NAP | CAV | CAT | 117.8° | 126.3° |
| CAL | CAN | CAY | 114.7° | 109.5° |
| CAN | CAL | H9 | 110.4° | 109.4° |
| CAN | CAL | H10 | 110.4° | 109.5° |
| CAL | CAN | H11 | 108.1° | 109.5° |
| CAL | CAN | H12 | 108.2° | 109.4° |
| CAN | CAY | NAZ | 105.6° | 109.4° |
| CAY | CAN | H11 | 108.2° | 109.5° |
| CAY | CAN | H12 | 108.2° | 109.5° |
| CAN | CAY | H13 | 109.2° | 109.5° |
| CAY | NAZ | CAW | 129.9° | 126.3° |
| NAZ | CAY | H13 | 110.8° | 109.5° |
| NAZ | CAW | CAV | 105.7° | 106.1° |
| NAZ | CAW | C4 | 123.5° | 127.0° |
| CAW | CAV | CAT | 133.2° | 126.3° |
| CAV | CAW | C4 | 130.3° | 126.9° |
| CAV | CAT | CAI | 122.4° | 120.1° |
| CAV | CAT | CAH | 118.4° | 120.1° |
| CAT | CAI | CAG | 121.5° | 119.9° |
| CAI | CAT | CAH | 119.0° | 119.8° |
| CAT | CAI | H18 | 119.2° | 120.1° |
| CAI | CAG | CAR | 118.9° | 120.1° |
| CAI | CAG | H17 | 120.5° | 119.9° |
| CAG | CAI | H18 | 119.2° | 120.0° |
| CAW | C4 | N3 | 123.4° | 120.5° |
| CAW | C4 | C5 | 119.0° | 120.5° |
| CAT | CAH | CAF | 119.3° | 119.9° |
| CAT | CAH | H15 | 120.4° | 120.1° |
| CAG | CAR | FAC | 117.8° | 119.9° |
| CAG | CAR | CAF | 119.9° | 120.2° |
| CAR | CAG | H17 | 120.5° | 119.9° |
| CAH | CAF | CAR | 121.3° | 120.1° |
| CAF | CAH | H15 | 120.3° | 120.1° |
| CAH | CAF | H16 | 119.4° | 119.9° |
| FAC | CAR | CAF | 122.2° | 119.9° |
| CAR | CAF | H16 | 119.4° | 120.0° |
| N3 | C4 | C5 | 117.5° | 118.9° |
| C4 | N3 | C2 | 120.9° | 120.5° |
| C4 | C5 | C6 | 122.7° | 118.4° |
| C4 | C5 | H1 | 118.7° | 120.7° |
| N3 | C2 | NAA | 118.0° | 119.1° |
| N3 | C2 | N1 | 121.0° | 121.8° |
| C5 | C6 | N1 | 115.4° | 119.3° |
| C6 | C5 | H1 | 118.6° | 120.8° |
| C5 | C6 | H2 | 122.3° | 120.3° |
| NAA | C2 | N1 | 121.0° | 119.1° |
| C2 | NAA | H19 | 109.5° | 120.0° |
| C2 | NAA | H20 | 109.5° | 120.0° |
| C2 | N1 | C6 | 122.3° | 121.0° |
| N1 | C6 | H2 | 122.3° | 120.4° |
| H3 | CAM | H4 | 109.4° | 109.4° |
| H5 | CAK | H6 | 109.5° | 109.5° |
| H9 | CAL | H10 | 109.5° | 109.4° |
| H11 | CAN | H12 | 109.4° | 109.5° |
| H19 | NAA | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAX | CAK | CAL | 117.7° | 120.1° |
| OAB | CAX | CAK | H7 | 121.1° | 120.0° |
| OAB | CAX | CAL | H7 | 119.8° | 120.0° |
| OAB | CAX | CAK | CAM | 176.8° | 180.0° |
| OAB | CAX | CAL | CAN | 176.2° | 180.0° |
| OAB | CAX | CAK | H5 | 56.5° | 60.1° |
| OAB | CAX | CAK | H6 | 62.8° | 59.9° |
| OAB | CAX | CAL | H9 | 56.8° | 60.0° |
| OAB | CAX | CAL | H10 | 64.4° | 59.9° |
| CAK | CAX | CAL | H7 | 121.0° | 120.0° |
| CAX | CAK | CAM | H5 | 120.4° | 119.9° |
| CAX | CAK | CAM | H6 | 120.3° | 120.1° |
| CAX | CAK | CAM | CAY | 62.7° | 60.0° |
| CAK | CAX | CAL | CAN | 57.1° | 59.9° |
| CAX | CAK | CAM | H3 | 56.6° | 60.1° |
| CAX | CAK | CAM | H4 | 177.9° | 180.0° |
| CAX | CAK | H5 | H6 | 118.9° | 120.0° |
| CAK | CAX | OAB | H8 | 180.0° | 180.0° |
| CAK | CAX | CAL | H9 | 62.3° | 60.0° |
| CAK | CAX | CAL | H10 | 176.5° | 180.0° |
| CAL | CAX | CAK | CAM | 65.5° | 59.9° |
| CAX | CAL | CAN | H9 | 119.4° | 120.0° |
| CAX | CAL | CAN | H10 | 119.4° | 120.1° |
| CAX | CAL | CAN | CAY | 56.3° | 60.0° |
| CAL | CAX | CAK | H5 | 174.2° | 60.0° |
| CAL | CAX | CAK | H6 | 54.9° | 180.0° |
| CAL | CAX | OAB | H8 | 60.0° | 60.0° |
| CAX | CAL | H9 | H10 | 121.8° | 120.0° |
| CAX | CAL | CAN | H11 | 177.1° | 180.0° |
| CAX | CAL | CAN | H12 | 64.5° | 60.0° |
| CAK | CAM | CAY | H3 | 119.4° | 120.0° |
| CAK | CAM | CAY | H4 | 119.4° | 120.0° |
| CAK | CAM | CAY | CAN | 57.6° | 60.0° |
| CAK | CAM | CAY | NAZ | 174.6° | 180.0° |
| CAK | CAM | H3 | H4 | 121.8° | 119.9° |
| CAM | CAK | H5 | H6 | 118.9° | 120.0° |
| CAM | CAK | CAX | H7 | 55.7° | 60.1° |
| CAK | CAM | CAY | H13 | 61.8° | 60.0° |
| CAM | CAY | NAZ | CAJ | 40.5° | 64.7° |
| CAM | CAY | CAN | CAL | 58.6° | 60.0° |
| CAM | CAY | CAN | NAZ | 121.4° | 120.0° |
| CAM | CAY | CAN | H13 | 119.4° | 120.0° |
| CAM | CAY | NAZ | H13 | 122.7° | 120.0° |
| CAM | CAY | NAZ | CAW | 146.1° | 115.0° |
| CAY | CAM | H3 | H4 | 121.8° | 120.1° |
| CAY | CAM | CAK | H5 | 176.9° | 60.0° |
| CAY | CAM | CAK | H6 | 57.6° | 180.0° |
| CAM | CAY | CAN | H11 | 179.4° | 180.0° |
| CAM | CAY | CAN | H12 | 62.2° | 60.0° |
| NAP | CAJ | NAZ | H14 | 180.0° | 180.0° |
| NAP | CAJ | NAZ | CAY | 178.4° | 180.0° |
| NAP | CAJ | NAZ | CAW | 3.7° | 0.3° |
| CAJ | NAP | CAV | CAW | 0.3° | 0.2° |
| CAJ | NAP | CAV | CAT | 176.9° | 180.0° |
| NAZ | CAJ | NAP | CAV | 2.1° | 0.0° |
| CAJ | NAZ | CAY | CAN | 78.6° | 55.3° |
| CAJ | NAZ | CAY | CAW | 173.4° | 179.6° |
| CAJ | NAZ | CAW | CAV | 3.8° | 0.4° |
| CAJ | NAZ | CAW | C4 | 176.3° | 179.8° |
| CAJ | NAZ | CAY | H13 | 163.2° | 175.3° |
| NAP | CAV | CAW | NAZ | 2.5° | 0.4° |
| NAP | CAV | CAW | CAT | 175.8° | 179.8° |
| NAP | CAV | CAT | CAI | 45.6° | 144.7° |
| NAP | CAV | CAW | C4 | 174.3° | 179.8° |
| NAP | CAV | CAT | CAH | 130.3° | 35.0° |
| CAV | NAP | CAJ | H14 | 177.9° | 180.0° |
| CAL | CAN | CAY | H11 | 120.8° | 120.0° |
| CAL | CAN | CAY | H12 | 120.8° | 119.9° |
| CAL | CAN | CAY | NAZ | 180.0° | 180.0° |
| CAN | CAL | CAX | H7 | 63.9° | 60.0° |
| CAN | CAL | H9 | H10 | 121.8° | 120.0° |
| CAL | CAN | H11 | H12 | 117.6° | 120.0° |
| CAL | CAN | CAY | H13 | 60.8° | 60.1° |
| CAN | CAY | NAZ | H13 | 118.1° | 120.0° |
| CAN | CAY | NAZ | CAW | 94.7° | 125.1° |
| CAN | CAY | CAM | H3 | 61.8° | 60.0° |
| CAN | CAY | CAM | H4 | 177.0° | 180.0° |
| CAY | CAN | CAL | H9 | 63.1° | 60.0° |
| CAY | CAN | CAL | H10 | 175.7° | 179.9° |
| CAY | CAN | H11 | H12 | 117.6° | 120.0° |
| CAY | NAZ | CAW | CAV | 177.8° | 179.9° |
| CAY | NAZ | CAW | C4 | 9.7° | 0.1° |
| NAZ | CAY | CAM | H3 | 55.2° | 60.0° |
| NAZ | CAY | CAM | H4 | 66.0° | 60.0° |
| NAZ | CAY | CAN | H11 | 59.2° | 60.0° |
| NAZ | CAY | CAN | H12 | 59.3° | 60.0° |
| CAY | NAZ | CAJ | H14 | 1.6° | 0.0° |
| NAZ | CAW | CAV | C4 | 171.8° | 179.8° |
| NAZ | CAW | CAV | CAT | 178.4° | 179.8° |
| NAZ | CAW | C4 | N3 | 37.9° | 139.6° |
| NAZ | CAW | C4 | C5 | 139.6° | 40.1° |
| CAW | NAZ | CAY | H13 | 23.4° | 5.1° |
| CAW | NAZ | CAJ | H14 | 176.3° | 179.7° |
| CAW | CAV | CAT | CAI | 138.9° | 35.0° |
| CAW | CAV | CAT | CAH | 45.2° | 145.3° |
| CAV | CAW | C4 | N3 | 151.6° | 40.2° |
| CAV | CAW | C4 | C5 | 30.9° | 140.0° |
| CAV | CAT | CAI | CAH | 175.9° | 179.7° |
| CAV | CAT | CAI | CAG | 176.5° | 179.7° |
| CAT | CAV | CAW | C4 | 9.8° | 0.0° |
| CAV | CAT | CAH | CAF | 178.1° | 180.0° |
| CAV | CAT | CAH | H15 | 1.9° | 0.1° |
| CAV | CAT | CAI | H18 | 3.5° | 0.1° |
| CAT | CAI | CAG | H18 | 180.0° | 179.6° |
| CAT | CAI | CAG | CAR | 2.1° | 0.7° |
| CAI | CAT | CAH | CAF | 2.0° | 0.3° |
| CAI | CAT | CAH | H15 | 178.0° | 179.8° |
| CAT | CAI | CAG | H17 | 177.9° | 179.7° |
| CAG | CAI | CAT | CAH | 0.6° | 0.6° |
| CAI | CAG | CAR | H17 | 180.0° | 179.6° |
| CAI | CAG | CAR | FAC | 179.2° | 179.7° |
| CAI | CAG | CAR | CAF | 3.3° | 0.4° |
| CAW | C4 | N3 | C5 | 177.5° | 179.7° |
| CAW | C4 | N3 | C2 | 178.3° | 179.7° |
| CAW | C4 | C5 | C6 | 178.9° | 179.7° |
| CAW | C4 | C5 | H1 | 1.1° | 0.3° |
| CAT | CAH | CAF | H15 | 180.0° | 179.9° |
| CAT | CAH | CAF | CAR | 0.8° | 0.0° |
| CAT | CAH | CAF | H16 | 179.2° | 180.0° |
| CAH | CAT | CAI | H18 | 179.4° | 179.7° |
| CAG | CAR | CAF | CAH | 1.9° | 0.0° |
| CAG | CAR | FAC | CAF | 175.8° | 180.0° |
| CAG | CAR | CAF | H16 | 178.1° | 180.0° |
| CAR | CAG | CAI | H18 | 177.9° | 179.7° |
| CAH | CAF | CAR | FAC | 177.6° | 180.0° |
| CAH | CAF | CAR | H16 | 180.0° | 180.0° |
| FAC | CAR | CAF | H16 | 2.4° | 0.0° |
| FAC | CAR | CAG | H17 | 0.8° | 0.0° |
| CAR | CAF | CAH | H15 | 179.2° | 179.9° |
| CAF | CAR | CAG | H17 | 176.7° | 180.0° |
| N3 | C4 | C5 | C6 | 3.5° | 0.0° |
| C4 | N3 | C2 | NAA | 179.0° | 180.0° |
| C4 | N3 | C2 | N1 | 2.0° | 0.1° |
| N3 | C4 | C5 | H1 | 176.5° | 180.0° |
| C5 | C4 | N3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 3.1° | 0.0° |
| C4 | C5 | C6 | H2 | 176.9° | 180.0° |
| N3 | C2 | NAA | N1 | 178.9° | 179.9° |
| N3 | C2 | N1 | C6 | 2.4° | 0.1° |
| N3 | C2 | NAA | H19 | 0.0° | 0.1° |
| N3 | C2 | NAA | H20 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.1° |
| C5 | C6 | N1 | H2 | 180.0° | 180.0° |
| NAA | C2 | N1 | C6 | 178.7° | 180.0° |
| C2 | NAA | H19 | H20 | 120.0° | 179.9° |
| C2 | N1 | C6 | H2 | 179.8° | 180.0° |
| N1 | C2 | NAA | H19 | 179.0° | 180.0° |
| N1 | C2 | NAA | H20 | 59.0° | 0.1° |
| N1 | C6 | C5 | H1 | 176.9° | 180.0° |
| H1 | C5 | C6 | H2 | 3.1° | 0.0° |
| H3 | CAM | CAK | H5 | 63.7° | 180.0° |
| H3 | CAM | CAK | H6 | 177.0° | 60.0° |
| H3 | CAM | CAY | H13 | 178.8° | 180.0° |
| H4 | CAM | CAK | H5 | 57.5° | 60.1° |
| H4 | CAM | CAK | H6 | 61.8° | 59.9° |
| H4 | CAM | CAY | H13 | 57.6° | 60.0° |
| H5 | CAK | CAX | H7 | 64.6° | 180.0° |
| H6 | CAK | CAX | H7 | 176.1° | 60.0° |
| H7 | CAX | OAB | H8 | 59.4° | 60.0° |
| H7 | CAX | CAL | H9 | 176.7° | 180.0° |
| H7 | CAX | CAL | H10 | 55.4° | 60.1° |
| H9 | CAL | CAN | H11 | 57.7° | 60.0° |
| H9 | CAL | CAN | H12 | 176.2° | 180.0° |
| H10 | CAL | CAN | H11 | 63.5° | 59.9° |
| H10 | CAL | CAN | H12 | 54.9° | 60.1° |
| H11 | CAN | CAY | H13 | 60.0° | 60.0° |
| H12 | CAN | CAY | H13 | 178.5° | NaN° |
| H15 | CAH | CAF | H16 | 0.8° | 0.1° |
| H17 | CAG | CAI | H18 | 2.1° | 0.1° |
