@MOLECULE 1-methyloctahydro-4(1h)-quinolinone 21 22 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.8888 2.7466 -0.0000 O.2 1 UNL111111111 -0.4860 2 N 1.0321 -1.3183 0.0000 N.4 1 UNL111111111 -0.3338 3 C -0.2194 -0.6965 -0.0000 C.3 1 UNL111111111 0.2358 4 C -0.2877 0.7108 -0.0001 C.3 1 UNL111111111 -0.2475 5 C 0.9366 1.5334 -0.0000 C.2 1 UNL111111111 0.4932 6 C -1.4146 -1.4490 0.0003 C.3 1 UNL111111111 -0.2866 7 C 2.1952 -0.5700 0.0001 C.3 1 UNL111111111 0.1103 8 C -1.5349 1.3467 -0.0001 C.3 1 UNL111111111 -0.0199 9 C 2.1846 0.7853 0.0002 C.3 1 UNL111111111 -0.4133 10 C 1.1314 -2.7796 -0.0003 C.3 1 UNL111111111 -0.2407 11 C -2.6352 -0.7951 0.0001 C.3 1 UNL111111111 -0.0516 12 C -2.7041 0.6036 -0.0001 C.3 1 UNL111111111 -0.2357 13 H -1.3891 -2.5331 0.0006 H 1 UNL111111111 0.1586 14 H 3.1331 -1.1407 0.0001 H 1 UNL111111111 0.1613 15 H -1.5616 2.4431 -0.0001 H 1 UNL111111111 0.1800 16 H 3.1001 1.3700 0.0004 H 1 UNL111111111 0.1929 17 H 0.6485 -3.2062 0.8992 H 1 UNL111111111 0.1577 18 H 2.1839 -3.1122 -0.0011 H 1 UNL111111111 0.1563 19 H 0.6471 -3.2058 -0.8993 H 1 UNL111111111 0.1577 20 H -3.5586 -1.3764 0.0002 H 1 UNL111111111 0.1492 21 H -3.6721 1.0983 -0.0003 H 1 UNL111111111 0.1621 @BOND 1 19 10 1 2 18 10 1 3 21 12 1 4 10 2 1 5 10 17 1 6 4 8 1 7 4 5 1 8 4 3 1 9 15 8 1 10 12 8 1 11 12 11 1 12 5 1 2 13 5 9 1 14 3 2 1 15 3 6 1 16 2 7 1 17 7 14 1 18 7 9 1 19 11 20 1 20 11 6 1 21 9 16 1 22 6 13 1