@MOLECULE (2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)-2-piperazinecarboxamide 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.6853 0.6384 1.4487 C.ar 1 UNL1111111111 -0.1364 2 C -5.9530 0.8447 0.9079 C.ar 1 UNL1111111111 -0.2187 3 C -6.0489 1.0940 -0.4592 C.ar 1 UNL1111111111 0.1943 4 C -3.6830 0.9474 -0.7365 C.ar 1 UNL1111111111 -0.0967 5 C 6.5108 0.6481 0.2099 C.3 1 UNL1111111111 -0.3074 6 C 4.9899 0.7300 0.1847 C.3 1 UNL1111111111 -0.2958 7 C 4.3962 -0.5446 0.8241 C.3 1 UNL1111111111 -0.0575 8 C 2.3092 -1.2744 -0.2493 C.2 1 UNL1111111111 0.5630 9 C 0.0415 -0.3863 0.6909 C.3 1 UNL1111111111 -0.1287 10 C 0.7854 -1.2041 -0.3943 C.3 1 UNL1111111111 -0.0458 11 C -1.9126 -1.8029 0.3831 C.3 1 UNL1111111111 -0.1227 12 C -1.1380 -2.6550 -0.6501 C.3 1 UNL1111111111 -0.1092 13 F -7.2505 1.2844 -0.9849 F 1 UNL1111111111 -0.1761 14 C -4.9379 1.1515 -1.3003 C.ar 1 UNL1111111111 -0.2222 15 C -3.5552 0.6877 0.6318 C.ar 1 UNL1111111111 -0.0451 16 C -2.1852 0.4789 1.2233 C.3 1 UNL1111111111 -0.1257 17 N -1.3986 -0.4113 0.3318 N.3 1 UNL1111111111 -0.4154 18 N 0.3024 -2.6032 -0.3177 N.3 1 UNL1111111111 -0.5365 19 O 2.9534 -1.9706 -1.0111 O.2 1 UNL1111111111 -0.5409 20 N 2.9336 -0.5290 0.7240 N.am 1 UNL1111111111 -0.5967 21 S 7.2039 2.2147 -0.4676 S.3 1 UNL1111111111 -0.1968 22 H -4.5844 0.4367 2.5142 H 1 UNL1111111111 0.1545 23 H -6.8389 0.8070 1.5384 H 1 UNL1111111111 0.1726 24 H -2.7859 0.9738 -1.3612 H 1 UNL1111111111 0.1777 25 H 6.8846 0.4972 1.2383 H 1 UNL1111111111 0.1525 26 H 6.8630 -0.2095 -0.3938 H 1 UNL1111111111 0.1598 27 H 4.6195 1.6258 0.7194 H 1 UNL1111111111 0.1496 28 H 4.6135 0.8219 -0.8573 H 1 UNL1111111111 0.1691 29 H 4.7961 -1.4541 0.3100 H 1 UNL1111111111 0.1743 30 H 4.6862 -0.6213 1.8947 H 1 UNL1111111111 0.1336 31 H 0.2428 -0.8145 1.6962 H 1 UNL1111111111 0.1338 32 H 0.3876 0.6684 0.6759 H 1 UNL1111111111 0.1342 33 H 0.5760 -0.7306 -1.3959 H 1 UNL1111111111 0.1611 34 H -2.9925 -1.7891 0.1216 H 1 UNL1111111111 0.1454 35 H -1.8166 -2.2588 1.3914 H 1 UNL1111111111 0.1295 36 H -1.4681 -3.7140 -0.5850 H 1 UNL1111111111 0.1424 37 H -1.3605 -2.2926 -1.6772 H 1 UNL1111111111 0.1285 38 H -5.0447 1.3498 -2.3650 H 1 UNL1111111111 0.1740 39 H -1.6687 1.4674 1.2812 H 1 UNL1111111111 0.1525 40 H -2.2486 0.0958 2.2656 H 1 UNL1111111111 0.1254 41 H 0.8573 -3.2099 -0.9278 H 1 UNL1111111111 0.2810 42 H 2.4366 0.0654 1.3586 H 1 UNL1111111111 0.3077 43 H 8.4915 1.8612 -0.5607 H 1 UNL1111111111 0.1578 @BOND 1 1 2 ar 2 1 15 ar 3 1 22 1 4 2 3 ar 5 2 23 1 6 3 13 1 7 3 14 ar 8 4 14 ar 9 4 15 ar 10 4 24 1 11 5 6 1 12 5 21 1 13 5 25 1 14 5 26 1 15 6 7 1 16 6 27 1 17 6 28 1 18 7 20 1 19 7 29 1 20 7 30 1 21 8 10 1 22 8 19 2 23 8 20 am 24 9 10 1 25 9 17 1 26 9 31 1 27 9 32 1 28 10 18 1 29 10 33 1 30 11 12 1 31 11 17 1 32 11 34 1 33 11 35 1 34 12 18 1 35 12 36 1 36 12 37 1 37 14 38 1 38 15 16 1 39 16 17 1 40 16 39 1 41 16 40 1 42 18 41 1 43 20 42 1 44 21 43 1