@MOLECULE 3-acetyl-5-sec-butyl-4-hydroxy-1,5-dihydro-2h-pyrrol-2-one 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2261 1.9586 1.0069 O.2 1 UNL1111111111 -0.4247 2 O 1.3444 -2.4252 -0.3887 O.2 1 UNL1111111111 -0.5033 3 O 2.6344 1.7430 -0.0472 O.2 1 UNL1111111111 -0.5751 4 N -0.4821 -1.5253 0.6743 N.am 1 UNL1111111111 -0.6469 5 C -2.2526 0.2705 0.3066 C.3 1 UNL1111111111 -0.1057 6 C -0.9887 -0.1933 1.0693 C.3 1 UNL1111111111 0.0247 7 C -2.1007 0.0844 -1.2130 C.3 1 UNL1111111111 -0.2621 8 C 0.2174 0.6768 0.7433 C.2 1 UNL1111111111 0.4038 9 C -3.4716 -0.4863 0.8362 C.3 1 UNL1111111111 -0.4511 10 C 1.2301 -0.0559 0.1751 C.2 1 UNL1111111111 -0.5406 11 C 0.7949 -1.4582 0.0768 C.2 1 UNL1111111111 0.6443 12 C -3.0766 0.9712 -1.9834 C.3 1 UNL1111111111 -0.4366 13 C 2.4820 0.5369 -0.2288 C.2 1 UNL1111111111 0.5899 14 C 3.5351 -0.3069 -0.8490 C.3 1 UNL1111111111 -0.5283 15 H -2.3840 1.3631 0.5227 H 1 UNL1111111111 0.1581 16 H -1.1878 -0.1887 2.1748 H 1 UNL1111111111 0.1764 17 H -2.2512 -0.9761 -1.4877 H 1 UNL1111111111 0.1455 18 H -1.0641 0.3197 -1.5276 H 1 UNL1111111111 0.1452 19 H -1.0902 -2.3117 0.6165 H 1 UNL1111111111 0.3284 20 H -3.3905 -1.5661 0.6709 H 1 UNL1111111111 0.1473 21 H -4.3882 -0.1545 0.3309 H 1 UNL1111111111 0.1554 22 H -3.6204 -0.3221 1.9094 H 1 UNL1111111111 0.1465 23 H -2.9133 2.0340 -1.7700 H 1 UNL1111111111 0.1459 24 H -4.1178 0.7410 -1.7365 H 1 UNL1111111111 0.1423 25 H -2.9618 0.8357 -3.0659 H 1 UNL1111111111 0.1472 26 H 1.1578 2.3509 0.7034 H 1 UNL1111111111 0.4092 27 H 3.1946 -0.7184 -1.8148 H 1 UNL1111111111 0.1918 28 H 3.7675 -1.1863 -0.2235 H 1 UNL1111111111 0.1940 29 H 4.4660 0.2502 -1.0245 H 1 UNL1111111111 0.1787 @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