@MOLECULE ethyl (2r)-2-cyanopropanoate 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5356 1.8276 -0.2876 C.3 1 UNL111111111 -0.8127 2 C -1.1329 0.3766 -0.5609 C.3 1 UNL111111111 0.0945 3 C 0.1580 0.0809 0.1938 C.2 1 UNL111111111 0.2571 4 O 1.0175 -0.5239 -0.6540 O.3 1 UNL111111111 -0.2612 5 C 2.3112 -0.8737 -0.1492 C.3 1 UNL111111111 -0.1073 6 C 3.1843 0.3643 -0.0569 C.3 1 UNL111111111 -0.5934 7 C -2.1601 -0.5400 -0.1133 C.1 1 UNL111111111 -0.0240 8 N -2.9892 -1.2688 0.2296 N.1 1 UNL111111111 -0.1576 9 O 0.3997 0.3315 1.3415 O.2 1 UNL111111111 -0.2421 10 H -1.6396 2.0214 0.7921 H 1 UNL111111111 0.2726 11 H -0.7865 2.5319 -0.6722 H 1 UNL111111111 0.2333 12 H -2.4957 2.0743 -0.7598 H 1 UNL111111111 0.2488 13 H -0.9600 0.2363 -1.6706 H 1 UNL111111111 0.1974 14 H 2.1999 -1.3876 0.8229 H 1 UNL111111111 0.1527 15 H 2.6558 -1.5887 -0.9212 H 1 UNL111111111 0.1777 16 H 3.2153 0.9084 -1.0088 H 1 UNL111111111 0.1798 17 H 2.8106 1.0604 0.7085 H 1 UNL111111111 0.1878 18 H 4.2151 0.1057 0.2134 H 1 UNL111111111 0.1965 @BOND 1 13 2 1 2 16 6 1 3 15 5 1 4 12 1 1 5 11 1 1 6 4 5 1 7 4 3 1 8 2 1 1 9 2 7 1 10 2 3 1 11 1 10 1 12 5 6 1 13 5 14 1 14 7 8 3 15 6 18 1 16 6 17 1 17 3 9 2