@MOLECULE (5s)-3-acetyl-5-[(2s)-2-butanyl]-4-hydroxy-1,5-dihydro-2h-pyrrol-2-one 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1972 -2.0087 1.0304 O.2 1 UNL111111111 -0.3522 2 O 1.3913 2.3383 -0.4023 O.2 1 UNL111111111 -0.4961 3 O 2.7603 -1.7341 -0.1743 O.2 1 UNL111111111 -0.4627 4 N -0.4587 1.5149 0.6623 N.am 1 UNL111111111 -0.6372 5 C -2.2739 -0.2261 0.3108 C.3 1 UNL111111111 -0.1084 6 C -0.9973 0.2076 1.0717 C.3 1 UNL111111111 -0.0134 7 C -2.0849 -0.1238 -1.2128 C.3 1 UNL111111111 -0.2634 8 C 0.1892 -0.7125 0.7614 C.2 1 UNL111111111 0.3311 9 C -3.4561 0.6243 0.7792 C.3 1 UNL111111111 -0.4509 10 C 1.2204 -0.0275 0.1997 C.2 1 UNL111111111 -0.4238 11 C 0.8166 1.3947 0.0772 C.2 1 UNL111111111 0.6259 12 C -3.1176 -0.9604 -1.9643 C.3 1 UNL111111111 -0.4373 13 C 2.5136 -0.5517 -0.2363 C.2 1 UNL111111111 0.5396 14 C 3.5084 0.4348 -0.7610 C.3 1 UNL111111111 -0.5365 15 H -2.4806 -1.2941 0.5718 H 1 UNL111111111 0.1349 16 H -1.2011 0.2262 2.1753 H 1 UNL111111111 0.1667 17 H -1.0654 -0.4558 -1.4980 H 1 UNL111111111 0.1516 18 H -2.1452 0.9338 -1.5352 H 1 UNL111111111 0.1489 19 H -1.0417 2.3197 0.5966 H 1 UNL111111111 0.3286 20 H -3.3205 1.6852 0.5400 H 1 UNL111111111 0.1507 21 H -3.6187 0.5449 1.8597 H 1 UNL111111111 0.1454 22 H -4.3865 0.3081 0.2891 H 1 UNL111111111 0.1566 23 H -4.1421 -0.6479 -1.7348 H 1 UNL111111111 0.1424 24 H -3.0324 -2.0258 -1.7229 H 1 UNL111111111 0.1436 25 H -2.9858 -0.8636 -3.0497 H 1 UNL111111111 0.1505 26 H -0.6687 -2.3255 1.4133 H 1 UNL111111111 0.3204 27 H 3.7381 1.2103 -0.0144 H 1 UNL111111111 0.1841 28 H 3.1152 0.9726 -1.6387 H 1 UNL111111111 0.1882 29 H 4.4485 -0.0527 -1.0506 H 1 UNL111111111 0.1727 @BOND 1 1 8 1 2 1 26 1 3 2 11 2 4 3 13 2 5 4 6 1 6 4 11 am 7 4 19 1 8 5 6 1 9 5 7 1 10 5 9 1 11 5 15 1 12 6 8 1 13 6 16 1 14 7 12 1 15 7 17 1 16 7 18 1 17 8 10 2 18 9 20 1 19 9 21 1 20 9 22 1 21 10 11 1 22 10 13 1 23 12 23 1 24 12 24 1 25 12 25 1 26 13 14 1 27 14 27 1 28 14 28 1 29 14 29 1