@MOLECULE n-(phenylsulfonyl)-l-alanine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.1863 -1.4482 0.1650 S.O2 1 UNL1111111111 2.3538 2 O 0.1735 -1.6318 1.5508 O.2 1 UNL1111111111 -0.9079 3 O -0.4654 -2.5588 -0.7131 O.2 1 UNL1111111111 -0.9026 4 O 1.8407 2.2213 0.6908 O.3 1 UNL1111111111 -0.5735 5 O 2.8750 1.8058 -1.2415 O.2 1 UNL1111111111 -0.5009 6 N 1.1477 -0.6122 -0.5893 N.3 1 UNL1111111111 -0.8787 7 C 2.2197 -0.0641 0.2380 C.3 1 UNL1111111111 0.0679 8 C -1.4901 -0.2835 0.0608 C.ar 1 UNL1111111111 -0.3800 9 C 3.5614 -0.7750 0.0483 C.3 1 UNL1111111111 -0.4826 10 C -2.3921 -0.3442 -1.0004 C.ar 1 UNL1111111111 -0.0614 11 C -1.6175 0.7057 1.0348 C.ar 1 UNL1111111111 -0.0546 12 C 2.3751 1.3849 -0.2363 C.2 1 UNL1111111111 0.6183 13 C -3.4194 0.5932 -1.0938 C.ar 1 UNL1111111111 -0.1800 14 C -2.6448 1.6433 0.9392 C.ar 1 UNL1111111111 -0.1804 15 C -3.5431 1.5882 -0.1252 C.ar 1 UNL1111111111 -0.0962 16 H 1.9385 -0.0717 1.3335 H 1 UNL1111111111 0.1945 17 H 1.4693 -0.9787 -1.4833 H 1 UNL1111111111 0.3185 18 H 4.3378 -0.3471 0.6945 H 1 UNL1111111111 0.1600 19 H 3.4827 -1.8411 0.3008 H 1 UNL1111111111 0.1688 20 H 3.9249 -0.7016 -0.9863 H 1 UNL1111111111 0.1667 21 H -2.3109 -1.1256 -1.7653 H 1 UNL1111111111 0.1735 22 H -0.9240 0.7592 1.8818 H 1 UNL1111111111 0.1714 23 H -4.1229 0.5481 -1.9224 H 1 UNL1111111111 0.1539 24 H -2.7440 2.4182 1.6966 H 1 UNL1111111111 0.1528 25 H -4.3433 2.3234 -0.2000 H 1 UNL1111111111 0.1458 26 H 1.8774 3.1751 0.4425 H 1 UNL1111111111 0.3530 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 8 1 5 4 12 1 6 4 26 1 7 5 12 2 8 6 7 1 9 6 17 1 10 7 9 1 11 7 12 1 12 7 16 1 13 8 10 ar 14 8 11 ar 15 9 18 1 16 9 19 1 17 9 20 1 18 10 13 ar 19 10 21 1 20 11 14 ar 21 11 22 1 22 13 15 ar 23 13 23 1 24 14 15 ar 25 14 24 1 26 15 25 1