@MOLECULE monoethyl succinate 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0200 -0.3948 0.0008 O.3 1 UNL111111111 -0.4321 2 O -1.0514 1.6317 -0.0384 O.2 1 UNL111111111 -0.5151 3 O 3.8612 0.5697 0.0601 O.3 1 UNL111111111 -0.5628 4 O 2.9207 -1.4490 -0.0351 O.2 1 UNL111111111 -0.5068 5 C 0.3115 -0.3787 -0.0436 C.3 1 UNL111111111 -0.3381 6 C 1.5229 0.5462 0.0103 C.3 1 UNL111111111 -0.3317 7 C -0.9500 0.4316 -0.0279 C.2 1 UNL111111111 0.6043 8 C -3.3124 0.2359 0.0149 C.3 1 UNL111111111 0.0094 9 C 2.7827 -0.2555 0.0070 C.2 1 UNL111111111 0.6461 10 C -4.2887 -0.9272 0.0435 C.3 1 UNL111111111 -0.4632 11 H 0.3397 -1.0276 -0.9494 H 1 UNL111111111 0.1940 12 H 0.3184 -1.1018 0.8048 H 1 UNL111111111 0.1944 13 H 1.4847 1.2086 0.9073 H 1 UNL111111111 0.1983 14 H 1.5174 1.2650 -0.8439 H 1 UNL111111111 0.1995 15 H -3.3767 0.8786 0.9105 H 1 UNL111111111 0.1342 16 H -3.4064 0.8588 -0.8920 H 1 UNL111111111 0.1342 17 H -5.3257 -0.5724 0.0567 H 1 UNL111111111 0.1559 18 H -4.1637 -1.5765 -0.8336 H 1 UNL111111111 0.1612 19 H -4.1350 -1.5573 0.9300 H 1 UNL111111111 0.1611 20 H 4.7271 0.0926 0.0593 H 1 UNL111111111 0.3571 @BOND 1 1 7 1 2 1 8 1 3 2 7 2 4 3 9 1 5 3 20 1 6 4 9 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 12 1 11 6 9 1 12 6 13 1 13 6 14 1 14 8 10 1 15 8 15 1 16 8 16 1 17 10 17 1 18 10 18 1 19 10 19 1