@MOLECULE {2-oxo-3-[(2-thienylcarbonyl)sulfanyl]-1-pyrrolidinyl}acetic acid 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3487 -0.0202 -0.4867 S.3 1 UNL1111 -0.0290 2 S 4.6111 -0.3667 -0.2780 S.2 1 UNL1111 0.3533 3 O -2.3928 -0.8291 -2.0073 O.2 1 UNL1111 -0.4747 4 O -2.9908 1.7279 0.5664 O.3 1 UNL1111 -0.5514 5 O -5.0501 2.1642 -0.1636 O.2 1 UNL1111 -0.4943 6 O 1.9255 -1.8706 0.5464 O.2 1 UNL1111 -0.4187 7 N -3.1160 -0.9090 0.1655 N.am 1 UNL1111 -0.4791 8 C -1.1396 -1.6560 1.2700 C.3 1 UNL1111 -0.2804 9 C -0.8219 -1.4066 -0.2116 C.3 1 UNL1111 -0.2401 10 C -2.5219 -1.0010 1.5140 C.3 1 UNL1111 -0.0770 11 C -2.1442 -0.9855 -0.8396 C.2 1 UNL1111 0.5751 12 C -4.3309 -0.1529 -0.0395 C.3 1 UNL1111 -0.1302 13 C -4.2018 1.3522 0.0915 C.2 1 UNL1111 0.5995 14 C 1.8885 -0.7354 0.1543 C.2 1 UNL1111 0.4358 15 C 3.0080 0.1832 0.1163 C.ar 1 UNL1111 -0.3272 16 C 3.0155 1.5307 0.3835 C.ar 1 UNL1111 -0.0870 17 C 4.3129 2.1152 0.2579 C.ar 1 UNL1111 -0.1932 18 C 5.2777 1.2121 -0.1034 C.ar 1 UNL1111 -0.2661 19 H -0.3764 -1.2616 1.9613 H 1 UNL1111 0.1654 20 H -1.1796 -2.7432 1.4750 H 1 UNL1111 0.1597 21 H -0.4243 -2.3245 -0.7043 H 1 UNL1111 0.1972 22 H -3.1680 -1.6279 2.1603 H 1 UNL1111 0.1432 23 H -2.4191 -0.0029 1.9921 H 1 UNL1111 0.1527 24 H -5.1203 -0.5057 0.6721 H 1 UNL1111 0.1803 25 H -4.7208 -0.3735 -1.0761 H 1 UNL1111 0.2079 26 H 2.1516 2.1181 0.6694 H 1 UNL1111 0.1737 27 H -2.8677 2.7110 0.5992 H 1 UNL1111 0.3584 28 H 4.4874 3.1666 0.4327 H 1 UNL1111 0.1677 29 H 6.3220 1.4186 -0.2680 H 1 UNL1111 0.1787 @BOND 1 1 9 1 2 1 14 1 3 2 15 ar 4 2 18 ar 5 3 11 2 6 4 13 1 7 4 27 1 8 5 13 2 9 6 14 2 10 7 10 1 11 7 11 am 12 7 12 1 13 8 9 1 14 8 10 1 15 8 19 1 16 8 20 1 17 9 11 1 18 9 21 1 19 10 22 1 20 10 23 1 21 12 13 1 22 12 24 1 23 12 25 1 24 14 15 1 25 15 16 ar 26 16 17 ar 27 16 26 1 28 17 18 ar 29 17 28 1 30 18 29 1