@MOLECULE (2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)-2-piperazinecarboxamide 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.7533 0.8350 0.2031 C.2 1 UNL1111 0.5608 2 C -5.6707 -0.5998 -0.8689 C.ar 1 UNL1111 -0.2183 3 C -4.3961 -0.4809 -1.4198 C.ar 1 UNL1111 -0.1365 4 C -5.7745 -0.8120 0.5037 C.ar 1 UNL1111 0.1942 5 C -4.6659 -0.9073 1.3428 C.ar 1 UNL1111 -0.2224 6 C -3.4032 -0.7909 0.7708 C.ar 1 UNL1111 -0.0973 7 C -3.2666 -0.5789 -0.6045 C.ar 1 UNL1111 -0.0438 8 C -1.8913 -0.4928 -1.2148 C.3 1 UNL1111 -0.1268 9 C 0.4089 0.1545 -0.7090 C.3 1 UNL1111 -0.1274 10 C 1.2327 0.9612 0.3273 C.3 1 UNL1111 -0.0450 11 C -1.3840 1.7942 -0.5134 C.3 1 UNL1111 -0.1221 12 C -0.5094 2.6363 0.4492 C.3 1 UNL1111 -0.1095 13 O 3.4828 1.5531 0.8604 O.2 1 UNL1111 -0.5388 14 N 3.2857 -0.1300 -0.6217 N.am 1 UNL1111 -0.6074 15 C 4.7444 -0.2869 -0.7001 C.3 1 UNL1111 -0.0389 16 C 5.2310 -1.1768 0.4526 C.3 1 UNL1111 -0.3456 17 S 7.0014 -1.5911 0.2036 S.3 1 UNL1111 -0.1903 18 N 0.9143 2.3954 0.1310 N.3 1 UNL1111 -0.5351 19 N -1.0217 0.3616 -0.3663 N.3 1 UNL1111 -0.4147 20 F -6.9822 -0.9303 1.0353 F 1 UNL1111 -0.1757 21 H -6.5555 -0.5281 -1.4977 H 1 UNL1111 0.1727 22 H -4.2889 -0.3102 -2.4896 H 1 UNL1111 0.1547 23 H -4.7786 -1.0738 2.4123 H 1 UNL1111 0.1738 24 H -2.5071 -0.8514 1.3943 H 1 UNL1111 0.1768 25 H -1.4584 -1.5216 -1.2453 H 1 UNL1111 0.1515 26 H -1.9383 -0.1434 -2.2685 H 1 UNL1111 0.1263 27 H 0.6604 0.4973 -1.7380 H 1 UNL1111 0.1377 28 H 0.6364 -0.9275 -0.6181 H 1 UNL1111 0.1316 29 H 0.9574 0.5960 1.3573 H 1 UNL1111 0.1600 30 H -2.4608 1.9123 -0.2446 H 1 UNL1111 0.1458 31 H -1.2551 2.1672 -1.5525 H 1 UNL1111 0.1294 32 H -0.7183 3.7153 0.2933 H 1 UNL1111 0.1429 33 H -0.7680 2.3892 1.5011 H 1 UNL1111 0.1276 34 H 2.7223 -0.7613 -1.1649 H 1 UNL1111 0.3098 35 H 5.0013 -0.7152 -1.6945 H 1 UNL1111 0.1431 36 H 5.2244 0.7244 -0.6415 H 1 UNL1111 0.1758 37 H 5.0723 -0.6525 1.4155 H 1 UNL1111 0.1758 38 H 4.6500 -2.1147 0.5036 H 1 UNL1111 0.1612 39 H 7.4327 -1.4411 1.4587 H 1 UNL1111 0.1619 40 H 1.5398 2.9850 0.6875 H 1 UNL1111 0.2825 @BOND 1 1 10 1 2 1 13 2 3 1 14 am 4 2 3 ar 5 2 4 ar 6 2 21 1 7 3 7 ar 8 3 22 1 9 4 5 ar 10 4 20 1 11 5 6 ar 12 5 23 1 13 6 7 ar 14 6 24 1 15 7 8 1 16 8 19 1 17 8 25 1 18 8 26 1 19 9 10 1 20 9 19 1 21 9 27 1 22 9 28 1 23 10 18 1 24 10 29 1 25 11 12 1 26 11 19 1 27 11 30 1 28 11 31 1 29 12 18 1 30 12 32 1 31 12 33 1 32 14 15 1 33 14 34 1 34 15 16 1 35 15 35 1 36 15 36 1 37 16 17 1 38 16 37 1 39 16 38 1 40 17 39 1 41 18 40 1