@MOLECULE n-phenyltaurine 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.7155 1.4944 -0.0024 C.ar 1 UNL11111 -0.0703 2 C -2.4147 1.0029 0.0219 C.ar 1 UNL11111 -0.2869 3 C -2.1960 -0.3848 0.0068 C.ar 1 UNL11111 0.2392 4 C -3.2996 -1.2628 -0.0170 C.ar 1 UNL11111 -0.2982 5 N -0.9147 -0.9485 -0.0772 N.pl3 1 UNL11111 -0.5452 6 C 0.2600 -0.1506 0.3169 C.3 1 UNL11111 -0.0508 7 C 1.5069 -0.8294 -0.2742 C.3 1 UNL11111 -0.6058 8 S 2.9610 0.1730 -0.1246 S.O2 1 UNL11111 2.3996 9 O 3.8244 0.0003 -1.2593 O.2 1 UNL11111 -0.8912 10 O 2.6327 1.4892 0.3497 O.2 1 UNL11111 -0.8953 11 O 3.6650 -0.6397 1.1370 O.3 1 UNL11111 -0.8527 12 C -4.5894 -0.7499 -0.0425 C.ar 1 UNL11111 -0.0627 13 C -4.8057 0.6281 -0.0348 C.ar 1 UNL11111 -0.2330 14 H -3.8806 2.5723 0.0048 H 1 UNL11111 0.1488 15 H -1.5817 1.6994 0.0440 H 1 UNL11111 0.1628 16 H -3.1430 -2.3365 -0.0279 H 1 UNL11111 0.1543 17 H -0.8505 -1.9262 0.1832 H 1 UNL11111 0.2879 18 H 0.3368 -0.0559 1.4253 H 1 UNL11111 0.1386 19 H 0.1492 0.8886 -0.0837 H 1 UNL11111 0.1700 20 H 1.3194 -1.0722 -1.3467 H 1 UNL11111 0.2066 21 H 1.6727 -1.8173 0.2067 H 1 UNL11111 0.1921 22 H 4.5298 -0.3504 1.4436 H 1 UNL11111 0.3903 23 H -5.4399 -1.4314 -0.0673 H 1 UNL11111 0.1476 24 H -5.8175 1.0216 -0.0540 H 1 UNL11111 0.1543 @BOND 1 1 2 ar 2 1 13 ar 3 1 14 1 4 2 3 ar 5 2 15 1 6 3 4 ar 7 3 5 1 8 4 12 ar 9 4 16 1 10 5 6 1 11 5 17 1 12 6 7 1 13 6 18 1 14 6 19 1 15 7 8 1 16 7 20 1 17 7 21 1 18 8 9 2 19 8 10 2 20 8 11 1 21 11 22 1 22 12 13 ar 23 12 23 1 24 13 24 1