@MOLECULE (s)-ropivacaine 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0004 -0.4743 1.5456 O.2 1 UNL1111111111 -0.4774 2 N 2.4779 0.2646 -0.1162 N.3 1 UNL1111111111 -0.4251 3 N -0.7696 -0.4611 -0.5896 N.am 1 UNL1111111111 -0.6054 4 C 1.6243 -0.9437 -0.2028 C.3 1 UNL1111111111 -0.0309 5 C 2.1764 -2.0609 0.7100 C.3 1 UNL1111111111 -0.2727 6 C 3.8841 -0.0406 -0.4831 C.3 1 UNL1111111111 -0.1017 7 C 3.6221 -2.3967 0.3436 C.3 1 UNL1111111111 -0.2623 8 C 4.4613 -1.1200 0.4468 C.3 1 UNL1111111111 -0.2759 9 C 1.9737 1.3933 -0.9412 C.3 1 UNL1111111111 -0.1272 10 C 0.2338 -0.5954 0.3684 C.2 1 UNL1111111111 0.5649 11 C 2.1540 2.6791 -0.1084 C.3 1 UNL1111111111 -0.2523 12 C 1.5431 3.8739 -0.8341 C.3 1 UNL1111111111 -0.4436 13 C -2.1285 -0.2179 -0.2322 C.ar 1 UNL1111111111 0.1183 14 C -3.1065 -1.1304 -0.6738 C.ar 1 UNL1111111111 -0.0018 15 C -2.4934 0.9189 0.5088 C.ar 1 UNL1111111111 0.0484 16 C -4.4452 -0.8962 -0.3681 C.ar 1 UNL1111111111 -0.1909 17 C -3.8439 1.1199 0.8114 C.ar 1 UNL1111111111 -0.1907 18 C -2.7265 -2.3417 -1.4579 C.3 1 UNL1111111111 -0.4452 19 C -1.4927 1.9110 0.9848 C.3 1 UNL1111111111 -0.4531 20 C -4.8122 0.2222 0.3771 C.ar 1 UNL1111111111 -0.1379 21 H 1.5456 -1.3268 -1.2504 H 1 UNL1111111111 0.1179 22 H 1.5308 -2.9541 0.6456 H 1 UNL1111111111 0.1386 23 H 2.1263 -1.7188 1.7689 H 1 UNL1111111111 0.1801 24 H 4.4668 0.9007 -0.3637 H 1 UNL1111111111 0.1386 25 H 3.9874 -0.3588 -1.5427 H 1 UNL1111111111 0.1086 26 H 3.6812 -2.8204 -0.6748 H 1 UNL1111111111 0.1313 27 H 4.0182 -3.1752 1.0214 H 1 UNL1111111111 0.1372 28 H 4.4553 -0.7483 1.4913 H 1 UNL1111111111 0.1577 29 H 5.5156 -1.3161 0.1886 H 1 UNL1111111111 0.1303 30 H 2.4999 1.4859 -1.9132 H 1 UNL1111111111 0.1169 31 H 0.9000 1.2703 -1.1898 H 1 UNL1111111111 0.1389 32 H 1.6846 2.5377 0.8869 H 1 UNL1111111111 0.1600 33 H 3.2252 2.8514 0.0998 H 1 UNL1111111111 0.1375 34 H -0.5992 -0.6808 -1.5598 H 1 UNL1111111111 0.3096 35 H 2.0184 4.0429 -1.8063 H 1 UNL1111111111 0.1387 36 H 0.4693 3.7368 -1.0090 H 1 UNL1111111111 0.1450 37 H 1.6614 4.7926 -0.2478 H 1 UNL1111111111 0.1436 38 H -5.2090 -1.5930 -0.7052 H 1 UNL1111111111 0.1525 39 H -4.1384 1.9903 1.3951 H 1 UNL1111111111 0.1556 40 H -1.9110 -2.8982 -0.9708 H 1 UNL1111111111 0.1631 41 H -3.5626 -3.0466 -1.5670 H 1 UNL1111111111 0.1561 42 H -2.3993 -2.0789 -2.4735 H 1 UNL1111111111 0.1516 43 H -1.0117 1.5527 1.9168 H 1 UNL1111111111 0.1927 44 H -0.6773 2.0657 0.2633 H 1 UNL1111111111 0.1620 45 H -1.9328 2.8917 1.1996 H 1 UNL1111111111 0.1492 46 H -5.8602 0.3914 0.6181 H 1 UNL1111111111 0.1494 @BOND 1 1 10 2 2 2 4 1 3 2 6 1 4 2 9 1 5 3 10 am 6 3 13 1 7 3 34 1 8 4 5 1 9 4 10 1 10 4 21 1 11 5 7 1 12 5 22 1 13 5 23 1 14 6 8 1 15 6 24 1 16 6 25 1 17 7 8 1 18 7 26 1 19 7 27 1 20 8 28 1 21 8 29 1 22 9 11 1 23 9 30 1 24 9 31 1 25 11 12 1 26 11 32 1 27 11 33 1 28 12 35 1 29 12 36 1 30 12 37 1 31 13 14 ar 32 13 15 ar 33 14 16 ar 34 14 18 1 35 15 17 ar 36 15 19 1 37 16 20 ar 38 16 38 1 39 17 20 ar 40 17 39 1 41 18 40 1 42 18 41 1 43 18 42 1 44 19 43 1 45 19 44 1 46 19 45 1 47 20 46 1