@MOLECULE s-{(2r)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxopropyl} ethanethioate 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.8834 -1.4562 -0.7237 S.3 1 UNL11111111111 -0.0921 2 O 0.2175 1.4762 -1.1708 O.2 1 UNL11111111111 -0.5039 3 O -3.5610 2.4239 1.3839 O.2 1 UNL11111111111 -0.5405 4 O 6.4063 -0.1033 -0.3612 O.3 1 UNL11111111111 -0.4695 5 O -2.6086 -3.2062 1.1108 O.2 1 UNL11111111111 -0.4344 6 N -2.2935 1.7063 -0.3442 N.am 1 UNL11111111111 -0.6094 7 N 0.9939 0.4177 0.7054 N.am 1 UNL11111111111 -0.5481 8 C -1.3995 0.9750 0.5452 C.3 1 UNL11111111111 0.0133 9 C -1.9092 -0.4462 0.8074 C.3 1 UNL11111111111 -0.3473 10 C 0.0116 0.9794 -0.0877 C.2 1 UNL11111111111 0.5541 11 C 2.3672 0.2995 0.3694 C.ar 1 UNL11111111111 0.1501 12 C -3.3538 2.4208 0.1877 C.2 1 UNL11111111111 0.6191 13 C 3.1645 -0.3759 1.3102 C.ar 1 UNL11111111111 -0.1753 14 C 2.9383 0.8123 -0.8052 C.ar 1 UNL11111111111 -0.1401 15 C -4.2020 3.1460 -0.8167 C.3 1 UNL11111111111 -0.5275 16 C 4.5281 -0.5294 1.0958 C.ar 1 UNL11111111111 -0.2624 17 C 4.3025 0.6660 -1.0237 C.ar 1 UNL11111111111 -0.2018 18 C 5.0819 0.0002 -0.0694 C.ar 1 UNL11111111111 0.2498 19 C -2.4260 -3.0655 -0.0644 C.2 1 UNL11111111111 0.4593 20 C -2.6240 -4.1385 -1.0736 C.3 1 UNL11111111111 -0.5351 21 H -1.3573 1.5231 1.5390 H 1 UNL11111111111 0.1946 22 H -2.9529 -0.3960 1.1932 H 1 UNL11111111111 0.1979 23 H -1.3328 -0.9513 1.6046 H 1 UNL11111111111 0.1715 24 H -2.0489 1.7274 -1.3265 H 1 UNL11111111111 0.3384 25 H 0.7209 -0.0289 1.5778 H 1 UNL11111111111 0.3140 26 H 2.7199 -0.7862 2.2154 H 1 UNL11111111111 0.1559 27 H 2.3204 1.3272 -1.5487 H 1 UNL11111111111 0.1986 28 H -5.1108 3.5358 -0.3289 H 1 UNL11111111111 0.1885 29 H -3.6721 4.0066 -1.2491 H 1 UNL11111111111 0.1797 30 H -4.5258 2.4979 -1.6414 H 1 UNL11111111111 0.1741 31 H 5.1443 -1.0516 1.8200 H 1 UNL11111111111 0.1603 32 H 4.7740 1.0571 -1.9232 H 1 UNL11111111111 0.1785 33 H -2.9537 -5.0738 -0.5855 H 1 UNL11111111111 0.1875 34 H -3.3926 -3.8794 -1.8186 H 1 UNL11111111111 0.1876 35 H -1.7021 -4.3749 -1.6274 H 1 UNL11111111111 0.1885 36 H 6.9128 -0.5681 0.3490 H 1 UNL11111111111 0.3256 @BOND 1 1 9 1 2 1 19 1 3 2 10 2 4 3 12 2 5 4 18 1 6 4 36 1 7 5 19 2 8 6 8 1 9 6 12 am 10 6 24 1 11 7 10 am 12 7 11 1 13 7 25 1 14 8 9 1 15 8 10 1 16 8 21 1 17 9 22 1 18 9 23 1 19 11 13 ar 20 11 14 ar 21 12 15 1 22 13 16 ar 23 13 26 1 24 14 17 ar 25 14 27 1 26 15 28 1 27 15 29 1 28 15 30 1 29 16 18 ar 30 16 31 1 31 17 18 ar 32 17 32 1 33 19 20 1 34 20 33 1 35 20 34 1 36 20 35 1