@MOLECULE l-(-)-ephedrine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0045 1.7393 -0.4283 O.3 1 UNL1111111111 -0.5459 2 N 3.0376 -0.1343 0.2435 N.3 1 UNL1111111111 -0.5232 3 C 1.6077 -0.4300 0.4585 C.3 1 UNL1111111111 0.0244 4 C 0.6985 0.3667 -0.5317 C.3 1 UNL1111111111 0.0721 5 C -0.7644 0.0961 -0.3194 C.ar 1 UNL1111111111 -0.0538 6 C 1.2704 -0.0693 1.9121 C.3 1 UNL1111111111 -0.4569 7 C -1.2340 -1.2194 -0.3254 C.ar 1 UNL1111111111 -0.1737 8 C -1.6604 1.1504 -0.1441 C.ar 1 UNL1111111111 -0.1540 9 C 3.5918 -0.8169 -0.9425 C.3 1 UNL1111111111 -0.2736 10 C -2.5879 -1.4774 -0.1273 C.ar 1 UNL1111111111 -0.1330 11 C -3.0148 0.8892 0.0557 C.ar 1 UNL1111111111 -0.1362 12 C -3.4796 -0.4240 0.0697 C.ar 1 UNL1111111111 -0.1569 13 H 1.4379 -1.5258 0.3052 H 1 UNL1111111111 0.1420 14 H 0.9829 0.1527 -1.5919 H 1 UNL1111111111 0.1561 15 H 0.2202 -0.2799 2.1408 H 1 UNL1111111111 0.1515 16 H 1.8925 -0.6583 2.6014 H 1 UNL1111111111 0.1664 17 H 1.4704 0.9830 2.1371 H 1 UNL1111111111 0.1438 18 H 3.1790 0.8756 0.1754 H 1 UNL1111111111 0.2665 19 H -0.5468 -2.0473 -0.4863 H 1 UNL1111111111 0.1501 20 H -1.3093 2.1819 -0.1809 H 1 UNL1111111111 0.1626 21 H 0.8232 2.0713 0.4768 H 1 UNL1111111111 0.3167 22 H 3.1265 -0.5292 -1.8971 H 1 UNL1111111111 0.1192 23 H 3.4983 -1.9082 -0.8187 H 1 UNL1111111111 0.1433 24 H 4.6697 -0.5874 -1.0016 H 1 UNL1111111111 0.1457 25 H -2.9502 -2.5036 -0.1280 H 1 UNL1111111111 0.1485 26 H -3.7102 1.7146 0.1963 H 1 UNL1111111111 0.1497 27 H -4.5362 -0.6271 0.2281 H 1 UNL1111111111 0.1485 @BOND 1 1 4 1 2 1 21 1 3 2 3 1 4 2 9 1 5 2 18 1 6 3 4 1 7 3 6 1 8 3 13 1 9 4 5 1 10 4 14 1 11 5 7 ar 12 5 8 ar 13 6 15 1 14 6 16 1 15 6 17 1 16 7 10 ar 17 7 19 1 18 8 11 ar 19 8 20 1 20 9 22 1 21 9 23 1 22 9 24 1 23 10 12 ar 24 10 25 1 25 11 12 ar 26 11 26 1 27 12 27 1