@MOLECULE 4-trifluoromethyl-d-phenylalanine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.3865 0.1072 -0.1147 C.2 1 UNL1111111111 0.6252 2 N -2.7147 -1.1719 -1.2570 N.3 1 UNL1111111111 -0.6312 3 O -5.0852 -0.7430 0.3643 O.2 1 UNL1111111111 -0.4930 4 CA -2.9011 0.0309 -0.4397 C.3 1 UNL1111111111 0.0056 5 C -2.1403 0.0367 0.9104 C.3 1 UNL1111111111 -0.3581 6 C -0.6672 0.0392 0.6594 C.ar 1 UNL1111111111 0.0591 7 C 2.0664 0.0427 0.1303 C.ar 1 UNL1111111111 -0.1554 8 C 3.5403 0.0371 -0.1504 C.3 1 UNL1111111111 0.5506 9 F 4.2896 0.1104 0.9506 F 1 UNL1111111111 -0.1995 10 F 3.9810 -1.0518 -0.7814 F 1 UNL1111111111 -0.2008 11 F 3.9703 1.0424 -0.9130 F 1 UNL1111111111 -0.2013 12 C -0.0083 1.2405 0.3849 C.ar 1 UNL1111111111 -0.1907 13 C 0.0509 -1.1589 0.6817 C.ar 1 UNL1111111111 -0.2014 14 C 1.3587 1.2449 0.1232 C.ar 1 UNL1111111111 -0.0720 15 C 1.4185 -1.1580 0.4205 C.ar 1 UNL1111111111 -0.0741 16 OXT -4.8588 1.3433 -0.4029 O.3 1 UNL1111111111 -0.5553 17 H1 -1.7592 -1.2795 -1.5608 H 1 UNL1111111111 0.2673 18 H2 -3.0221 -2.0134 -0.7907 H 1 UNL1111111111 0.2676 19 HA -2.5913 0.9211 -1.0571 H 1 UNL1111111111 0.1853 20 H -2.4398 0.9239 1.5085 H 1 UNL1111111111 0.1736 21 H -2.4492 -0.8347 1.5255 H 1 UNL1111111111 0.1731 22 H -0.5636 2.1780 0.3764 H 1 UNL1111111111 0.1656 23 H -0.4540 -2.0965 0.9107 H 1 UNL1111111111 0.1627 24 H 1.8598 2.1942 -0.0797 H 1 UNL1111111111 0.1697 25 H 1.9696 -2.1010 0.4507 H 1 UNL1111111111 0.1700 26 HXT -5.8278 1.4515 -0.2335 H 1 UNL1111111111 0.3574 @BOND 1 1 3 2 2 1 4 1 3 1 16 1 4 2 4 1 5 2 17 1 6 2 18 1 7 4 5 1 8 4 19 1 9 5 6 1 10 5 20 1 11 5 21 1 12 6 12 ar 13 6 13 ar 14 7 8 1 15 7 14 ar 16 7 15 ar 17 8 9 1 18 8 10 1 19 8 11 1 20 12 14 ar 21 12 22 1 22 13 15 ar 23 13 23 1 24 14 24 1 25 15 25 1 26 16 26 1