@MOLECULE (1e,5s,8as,8br)-1-ethylidene-5-methoxy-2-oxo-1,2,5,6,7,8,8a,8b-octahydroazeto[2,1-a]isoindole-4-carboxylic acid 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7708 1.5970 0.5544 O.3 1 UNL1111111111111 0.0126 2 O 2.2894 -2.2840 -0.8518 O.2 1 UNL1111111111111 -0.2630 3 O -0.7417 -3.3986 0.2656 O.3 1 UNL1111111111111 -0.3228 4 O -2.2505 -2.2319 -0.8899 O.2 1 UNL1111111111111 -0.3550 5 N 0.8342 -1.2060 0.7513 N.am 1 UNL1111111111111 -0.4880 6 C 0.1952 1.1715 0.6318 C.3 1 UNL1111111111111 -0.5258 7 C 1.3217 0.2218 1.0981 C.3 1 UNL1111111111111 0.1789 8 C -0.8694 0.2220 0.1182 C.2 1 UNL1111111111111 0.2329 9 C 0.5684 2.1519 -0.4835 C.3 1 UNL1111111111111 -0.1356 10 C -2.1171 0.8164 -0.4379 C.3 1 UNL1111111111111 -0.4916 11 C -0.4691 -1.0682 0.1869 C.2 1 UNL1111111111111 0.1635 12 C 2.5340 -0.0292 0.2221 C.2 1 UNL1111111111111 -0.4122 13 C -0.7000 2.8493 -0.9960 C.3 1 UNL1111111111111 -0.5221 14 C -1.7254 1.8382 -1.5252 C.3 1 UNL1111111111111 -0.2422 15 C 1.9845 -1.3797 -0.1490 C.2 1 UNL1111111111111 0.4935 16 C 3.6461 0.6116 -0.1086 C.2 1 UNL1111111111111 0.0599 17 C -1.2466 -2.2441 -0.2157 C.2 1 UNL1111111111111 0.2101 18 C 3.9880 1.9705 0.3803 C.3 1 UNL1111111111111 -0.6125 19 C -3.4445 0.8198 1.5272 C.3 1 UNL1111111111111 -0.7165 20 H -0.2074 1.7413 1.5049 H 1 UNL1111111111111 0.2787 21 H 1.5428 0.3115 2.1753 H 1 UNL1111111111111 0.1766 22 H 1.0740 1.6207 -1.3126 H 1 UNL1111111111111 0.1895 23 H 1.2923 2.8983 -0.1107 H 1 UNL1111111111111 0.1354 24 H -2.8215 0.0479 -0.8384 H 1 UNL1111111111111 0.2943 25 H -1.1587 3.4417 -0.1783 H 1 UNL1111111111111 0.2623 26 H -0.4398 3.5728 -1.7900 H 1 UNL1111111111111 0.1833 27 H -2.6355 2.3684 -1.8669 H 1 UNL1111111111111 0.1860 28 H -1.3251 1.2999 -2.4046 H 1 UNL1111111111111 0.1945 29 H 4.3812 0.1529 -0.7798 H 1 UNL1111111111111 0.1567 30 H 4.9957 1.9942 0.8251 H 1 UNL1111111111111 0.2134 31 H 3.2904 2.3428 1.1442 H 1 UNL1111111111111 0.2099 32 H 3.9879 2.7017 -0.4442 H 1 UNL1111111111111 0.2025 33 H -3.9134 1.5788 2.1653 H 1 UNL1111111111111 0.2580 34 H -2.7371 0.2169 2.1048 H 1 UNL1111111111111 0.2303 35 H -4.2092 0.1856 1.0669 H 1 UNL1111111111111 0.2370 36 H -1.2586 -4.1934 -0.0358 H 1 UNL1111111111111 0.3274 @BOND 1 1 10 1 2 1 19 1 3 2 15 2 4 3 17 1 5 3 36 1 6 4 17 2 7 5 7 1 8 5 11 1 9 5 15 am 10 6 7 1 11 6 8 1 12 6 9 1 13 6 20 1 14 7 12 1 15 7 21 1 16 8 10 1 17 8 11 2 18 9 13 1 19 9 22 1 20 9 23 1 21 10 14 1 22 10 24 1 23 11 17 1 24 12 15 1 25 12 16 2 26 13 14 1 27 13 25 1 28 13 26 1 29 14 27 1 30 14 28 1 31 16 18 1 32 16 29 1 33 18 30 1 34 18 31 1 35 18 32 1 36 19 33 1 37 19 34 1 38 19 35 1