@MOLECULE 1-(4-{[(2r)-2-methyl-1-piperidinyl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.0619 -2.3728 0.2266 C.3 1 UNL111111111 -0.4893 2 C -3.0607 -1.3645 0.8044 C.3 1 UNL111111111 0.1208 3 C -4.4438 -1.5200 0.1305 C.3 1 UNL111111111 -0.3312 4 C -5.4580 -0.5829 0.7958 C.3 1 UNL111111111 -0.2654 5 C -4.9456 0.8620 0.7936 C.3 1 UNL111111111 -0.3112 6 C -3.5273 0.9377 1.3932 C.3 1 UNL111111111 -0.0738 7 N -2.5661 0.0315 0.7294 N.3 1 UNL111111111 -0.7446 8 S -1.9149 0.6333 -0.7847 S.O2 1 UNL111111111 2.3324 9 O -2.2812 -0.2602 -1.8629 O.2 1 UNL111111111 -0.9226 10 O -2.2612 2.0394 -0.8403 O.2 1 UNL111111111 -0.9209 11 C -0.1812 0.5073 -0.5272 C.ar 1 UNL111111111 -0.4039 12 C 0.5336 -0.5585 -1.0716 C.ar 1 UNL111111111 -0.0238 13 C 1.9021 -0.6687 -0.8554 C.ar 1 UNL111111111 -0.2432 14 C 0.4772 1.4816 0.2204 C.ar 1 UNL111111111 -0.0112 15 C 1.8465 1.3883 0.4453 C.ar 1 UNL111111111 -0.2747 16 C 2.5637 0.3063 -0.0916 C.ar 1 UNL111111111 0.2592 17 N 3.9491 0.1992 0.1329 N.am 1 UNL111111111 -0.4770 18 C 4.8101 1.3029 0.3928 C.2 1 UNL111111111 0.0356 19 C 6.0787 0.8830 0.5936 C.2 1 UNL111111111 -0.2385 20 C 6.1435 -0.6139 0.4827 C.3 1 UNL111111111 -0.3406 21 C 4.7071 -1.0078 0.1715 C.2 1 UNL111111111 0.5859 22 O 4.2399 -2.0974 -0.0061 O.2 1 UNL111111111 -0.4656 23 H -1.0438 -2.1871 0.5894 H 1 UNL111111111 0.1576 24 H -2.3310 -3.3911 0.5295 H 1 UNL111111111 0.1471 25 H -2.0483 -2.3664 -0.8736 H 1 UNL111111111 0.1785 26 H -3.1724 -1.5815 1.9054 H 1 UNL111111111 0.1325 27 H -4.3665 -1.3020 -0.9547 H 1 UNL111111111 0.1739 28 H -4.7816 -2.5674 0.1989 H 1 UNL111111111 0.1364 29 H -6.4283 -0.6409 0.2687 H 1 UNL111111111 0.1342 30 H -5.6570 -0.9129 1.8322 H 1 UNL111111111 0.1296 31 H -4.9442 1.2666 -0.2381 H 1 UNL111111111 0.1605 32 H -5.6278 1.5154 1.3651 H 1 UNL111111111 0.1358 33 H -3.1517 1.9866 1.3526 H 1 UNL111111111 0.1568 34 H -3.5556 0.6627 2.4728 H 1 UNL111111111 0.1340 35 H 0.0315 -1.3178 -1.6866 H 1 UNL111111111 0.1784 36 H 2.4534 -1.5102 -1.2773 H 1 UNL111111111 0.1876 37 H -0.0706 2.3351 0.6379 H 1 UNL111111111 0.1701 38 H 2.3456 2.1411 1.0474 H 1 UNL111111111 0.1594 39 H 4.4119 2.3060 0.3853 H 1 UNL111111111 0.1726 40 H 6.9478 1.4726 0.7992 H 1 UNL111111111 0.1732 41 H 6.8301 -0.9554 -0.3173 H 1 UNL111111111 0.1928 42 H 6.4910 -1.0986 1.4167 H 1 UNL111111111 0.1926 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 7 1 6 2 26 1 7 3 2 1 8 3 27 1 9 3 28 1 10 4 3 1 11 4 5 1 12 4 29 1 13 4 30 1 14 5 6 1 15 5 31 1 16 5 32 1 17 6 7 1 18 6 33 1 19 6 34 1 20 7 8 1 21 8 9 2 22 8 10 2 23 11 8 1 24 12 11 ar 25 12 35 1 26 13 12 ar 27 13 36 1 28 14 11 ar 29 14 37 1 30 15 14 ar 31 15 38 1 32 16 15 ar 33 16 13 ar 34 17 18 1 35 17 16 1 36 18 39 1 37 19 18 2 38 19 40 1 39 20 21 1 40 20 19 1 41 20 41 1 42 20 42 1 43 21 17 am 44 22 21 2