@MOLECULE 3-(~18~f)fluoro-alpha-(fluoromethyl)-l-tyrosine 27 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.7794 -0.2419 0.2638 C.3 1 UNL1 0.1435 2 F 3.6182 -1.8255 0.0470 F 1 UNL1 -0.1630 3 C 1.4610 -1.0444 -0.4309 C.ar 1 UNL1 -0.1716 4 C 1.0886 1.3489 -0.4395 C.ar 1 UNL1 -0.1307 5 C 2.4170 1.5823 -0.1122 C.ar 1 UNL1 -0.2014 6 C -0.8314 -0.1812 -0.9559 C.3 1 UNL1 -0.3145 7 C -1.8497 1.0981 1.0509 C.3 1 UNL1 -0.0713 8 H 5.1442 0.0143 0.4661 H 1 UNL1 0.3370 9 H -2.1396 -1.7081 1.6941 H 1 UNL1 0.2836 10 H -0.7011 -1.9139 0.8903 H 1 UNL1 0.2716 11 C 0.6015 0.0448 -0.5907 C.ar 1 UNL1 -0.0053 12 C 3.2802 0.4953 0.0596 C.ar 1 UNL1 0.2138 13 C 2.7916 -0.8042 -0.1082 C.ar 1 UNL1 0.0467 14 O -3.5941 -0.2572 -1.4117 O.2 1 UNL1 -0.4751 15 O 4.5592 0.8050 0.3745 O.3 1 UNL1 -0.4499 16 O -3.9920 -1.0601 0.6271 O.3 1 UNL1 -0.5753 17 C -3.1863 -0.4959 -0.3087 C.2 1 UNL1 0.5723 18 H -4.9168 -1.2182 0.3141 H 1 UNL1 0.3643 19 N -1.3629 -1.2453 1.2475 N.3 1 UNL1 -0.6569 20 F -2.3914 2.0464 0.2476 F 1 UNL1 -0.2077 21 H 1.1033 -2.0634 -0.5688 H 1 UNL1 0.1686 22 H 0.4184 2.1975 -0.5904 H 1 UNL1 0.1685 23 H 2.8020 2.5936 0.0144 H 1 UNL1 0.1794 24 H -0.9391 -1.1151 -1.5507 H 1 UNL1 0.1643 25 H -1.1859 0.6170 -1.6516 H 1 UNL1 0.1909 26 H -2.4784 0.9857 1.9636 H 1 UNL1 0.1547 27 H -0.8275 1.4111 1.3705 H 1 UNL1 0.1637 @BOND 1 25 6 1 2 24 6 1 3 14 17 2 4 6 11 1 5 6 1 1 6 11 4 ar 7 11 3 ar 8 22 4 1 9 21 3 1 10 4 5 ar 11 3 13 ar 12 17 1 1 13 17 16 1 14 5 23 1 15 5 12 ar 16 13 2 1 17 13 12 ar 18 12 15 1 19 20 7 1 20 1 7 1 21 1 19 1 22 18 16 1 23 15 8 1 24 10 19 1 25 7 27 1 26 7 26 1 27 19 9 1