@MOLECULE (2s,3s)-2-amino-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-(1-pyrrolidinyl)-1-butanone 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.2753 0.0603 -0.9619 C.3 1 UNL1111111111 -0.0213 2 C -3.9543 -0.9698 0.1411 C.2 1 UNL1111111111 0.4864 3 O -4.6214 -0.9568 1.1621 O.2 1 UNL1111111111 -0.5456 4 C -2.5641 -2.7549 1.0921 C.3 1 UNL1111111111 -0.0624 5 C -1.0246 -2.7279 1.0308 C.3 1 UNL1111111111 -0.2905 6 C -0.6756 -2.4285 -0.4377 C.3 1 UNL1111111111 -0.2875 7 C -1.9819 -1.9383 -1.1061 C.3 1 UNL1111111111 -0.0762 8 C -2.5468 1.4807 0.1153 C.ar 1 UNL1111111111 0.2194 9 C -0.4159 1.3294 0.5408 C.ar 1 UNL1111111111 0.1992 10 C 0.9883 1.0201 0.3259 C.ar 1 UNL1111111111 0.0061 11 C 1.8984 1.1398 1.3807 C.ar 1 UNL1111111111 -0.1417 12 C 3.2354 0.8055 1.1781 C.ar 1 UNL1111111111 -0.0883 13 C 2.7551 0.2488 -1.1258 C.ar 1 UNL1111111111 -0.0908 14 C 1.4189 0.5891 -0.9333 C.ar 1 UNL1111111111 -0.1415 15 C -3.9413 1.4688 -0.3828 C.3 1 UNL1111111111 -0.0968 16 N -3.0237 -1.9561 -0.0642 N.am 1 UNL1111111111 -0.4699 17 N -5.7081 0.0181 -1.2866 N.3 1 UNL1111111111 -0.6173 18 N -1.4025 1.1510 -0.4583 N.ar 1 UNL1111111111 -0.4687 19 N -0.9883 1.7721 1.6660 N.ar 1 UNL1111111111 -0.2476 20 O -2.3310 1.8781 1.4303 O.2 1 UNL1111111111 0.0274 21 C 3.6536 0.3414 -0.0659 C.ar 1 UNL1111111111 -0.3653 22 S 5.3460 -0.1141 -0.3140 S.O2 1 UNL1111111111 2.2325 23 O 5.5760 -0.1618 -1.7425 O.2 1 UNL1111111111 -0.9131 24 O 6.1574 0.7140 0.5508 O.2 1 UNL1111111111 -0.9055 25 C 5.4392 -1.7865 0.3028 C.3 1 UNL1111111111 -0.7635 26 C -4.1031 2.5455 -1.4560 C.3 1 UNL1111111111 -0.4305 27 H -3.6875 -0.1128 -1.8969 H 1 UNL1111111111 0.1695 28 H -2.9616 -3.7871 0.9855 H 1 UNL1111111111 0.1461 29 H -0.5897 -3.6794 1.3704 H 1 UNL1111111111 0.1458 30 H 0.1153 -1.6630 -0.5096 H 1 UNL1111111111 0.1450 31 H -1.8461 -0.9289 -1.5481 H 1 UNL1111111111 0.1571 32 H 1.5614 1.4987 2.3559 H 1 UNL1111111111 0.1777 33 H 3.9452 0.9300 2.0037 H 1 UNL1111111111 0.1741 34 H 3.0866 -0.0749 -2.1202 H 1 UNL1111111111 0.1801 35 H 0.7072 0.5293 -1.7606 H 1 UNL1111111111 0.1788 36 H -4.6519 1.6768 0.4678 H 1 UNL1111111111 0.1917 37 H -6.2783 0.0486 -0.4484 H 1 UNL1111111111 0.2721 38 H -5.9482 -0.8077 -1.8135 H 1 UNL1111111111 0.2580 39 H 4.4720 -2.2967 0.3177 H 1 UNL1111111111 0.1779 40 H 6.1075 -2.3965 -0.3218 H 1 UNL1111111111 0.1934 41 H 5.8480 -1.8186 1.3212 H 1 UNL1111111111 0.1904 42 H -3.3694 2.4333 -2.2648 H 1 UNL1111111111 0.1605 43 H -3.9949 3.5538 -1.0418 H 1 UNL1111111111 0.1518 44 H -5.1034 2.4763 -1.9156 H 1 UNL1111111111 0.1833 45 H -2.9588 -2.3457 2.0476 H 1 UNL1111111111 0.1667 46 H -0.6218 -1.9456 1.6971 H 1 UNL1111111111 0.1455 47 H -0.2896 -3.3262 -0.9466 H 1 UNL1111111111 0.1442 48 H -2.2948 -2.6246 -1.9232 H 1 UNL1111111111 0.1432 @BOND 1 1 2 1 2 1 15 1 3 1 17 1 4 1 27 1 5 2 3 2 6 2 16 am 7 4 5 1 8 4 16 1 9 4 28 1 10 4 45 1 11 5 6 1 12 5 29 1 13 5 46 1 14 6 7 1 15 6 30 1 16 6 47 1 17 7 16 1 18 7 31 1 19 7 48 1 20 8 15 1 21 8 18 ar 22 8 20 ar 23 9 10 1 24 9 18 ar 25 9 19 ar 26 10 11 ar 27 10 14 ar 28 11 12 ar 29 11 32 1 30 12 21 ar 31 12 33 1 32 13 14 ar 33 13 21 ar 34 13 34 1 35 14 35 1 36 15 26 1 37 15 36 1 38 17 37 1 39 17 38 1 40 19 20 ar 41 21 22 1 42 22 23 2 43 22 24 2 44 22 25 1 45 25 39 1 46 25 40 1 47 25 41 1 48 26 42 1 49 26 43 1 50 26 44 1