@MOLECULE methyl (2r)-2-[4-(3-thienyl)phenyl]propanoate 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.0975 0.9992 -0.0713 S.2 1 UNL1111111111 0.2401 2 O 4.9688 0.1473 0.3045 O.3 1 UNL1111111111 -0.4190 3 O 3.1721 1.4898 0.4299 O.2 1 UNL1111111111 -0.4857 4 C 2.9264 -0.8875 -0.1431 C.3 1 UNL1111111111 -0.1743 5 C 1.4393 -0.6898 -0.1016 C.ar 1 UNL1111111111 -0.0057 6 C -1.3404 -0.3324 -0.0108 C.ar 1 UNL1111111111 0.0003 7 C 0.6650 -1.4406 0.7834 C.ar 1 UNL1111111111 -0.1534 8 C 0.8236 0.2401 -0.9420 C.ar 1 UNL1111111111 -0.1287 9 C 3.3769 -1.3366 -1.5364 C.3 1 UNL1111111111 -0.4291 10 C -0.7166 -1.2610 0.8296 C.ar 1 UNL1111111111 -0.1479 11 C -0.5554 0.4071 -0.9065 C.ar 1 UNL1111111111 -0.1492 12 C 3.6330 0.4002 0.2228 C.2 1 UNL1111111111 0.5866 13 C -2.7793 -0.0968 0.0405 C.ar 1 UNL1111111111 -0.0324 14 C -3.7401 -1.1182 0.3838 C.ar 1 UNL1111111111 -0.1680 15 C -3.3779 1.1068 -0.2350 C.ar 1 UNL1111111111 -0.2945 16 C -5.0307 -0.6802 0.3624 C.ar 1 UNL1111111111 -0.2836 17 C 5.7873 1.2541 0.6640 C.3 1 UNL1111111111 -0.1699 18 H 3.2363 -1.6711 0.6023 H 1 UNL1111111111 0.1766 19 H 1.1336 -2.1604 1.4520 H 1 UNL1111111111 0.1519 20 H 1.4246 0.8529 -1.6135 H 1 UNL1111111111 0.1595 21 H 3.2133 -0.5573 -2.2901 H 1 UNL1111111111 0.1544 22 H 4.4445 -1.5903 -1.5478 H 1 UNL1111111111 0.1596 23 H 2.8197 -2.2258 -1.8600 H 1 UNL1111111111 0.1596 24 H -1.3076 -1.8400 1.5378 H 1 UNL1111111111 0.1538 25 H -1.0278 1.1209 -1.5806 H 1 UNL1111111111 0.1551 26 H -3.4394 -2.1267 0.6242 H 1 UNL1111111111 0.1638 27 H -2.8963 2.0280 -0.5128 H 1 UNL1111111111 0.1810 28 H -5.9158 -1.2516 0.5753 H 1 UNL1111111111 0.1745 29 H 5.5456 1.5738 1.6825 H 1 UNL1111111111 0.1398 30 H 5.6411 2.0814 -0.0400 H 1 UNL1111111111 0.1409 31 H 6.8015 0.8455 0.6008 H 1 UNL1111111111 0.1437 @BOND 1 1 15 ar 2 1 16 ar 3 2 12 1 4 2 17 1 5 3 12 2 6 4 5 1 7 4 9 1 8 4 12 1 9 4 18 1 10 5 7 ar 11 5 8 ar 12 6 10 ar 13 6 11 ar 14 6 13 1 15 7 10 ar 16 7 19 1 17 8 11 ar 18 8 20 1 19 9 21 1 20 9 22 1 21 9 23 1 22 10 24 1 23 11 25 1 24 13 14 ar 25 13 15 ar 26 14 16 ar 27 14 26 1 28 15 27 1 29 16 28 1 30 17 29 1 31 17 30 1 32 17 31 1