@MOLECULE n-{[5-(2-thienyl)-1,2-oxazol-3-yl]methyl}-1-adamantanamine 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -6.2998 -1.7021 -0.5293 C.2 1 UNL1 -0.1564 2 C -4.9843 -1.3487 -0.5892 C.1 1 UNL1 -0.0714 3 C -7.3365 -1.0108 0.1177 C.2 1 UNL1 -0.1773 4 C -3.9471 -0.7094 -0.4142 C.1 1 UNL1 -0.0228 5 C -7.6409 -2.2263 -0.5710 C.3 1 UNL1 0.2607 6 C -3.1648 0.3483 0.0694 C.3 1 UNL1 -0.0970 7 C -7.1515 0.1574 0.8003 C.2 1 UNL1 -0.0344 8 C -5.1369 1.4787 1.1859 C.2 1 UNL1 -0.0543 9 C -6.4249 1.0692 1.2085 C.2 1 UNL1 -0.0035 10 C -4.0006 1.2199 0.7824 C.2 1 UNL1 -0.0231 11 N -1.8637 0.4920 -0.1181 N.3 1 UNL1 0.1545 12 C -0.7237 0.6150 -0.2837 C.3 1 UNL1 0.0919 13 C 0.6547 0.7343 -0.4546 C.ar 1 UNL1 -0.1623 14 N 1.2363 1.6515 -1.2293 N.ar 1 UNL1 -0.0166 15 O 2.5509 1.5385 -1.1955 O.2 1 UNL1 0.0122 16 C 2.8837 0.4253 -0.3128 C.ar 1 UNL1 -0.1544 17 C 1.6514 -0.1465 0.2094 C.ar 1 UNL1 0.2391 18 C 4.1526 0.1524 -0.1434 C.1 1 UNL1 0.0298 19 C 5.3908 -0.1093 0.0225 C.1 1 UNL1 0.0605 20 C 6.6285 -0.3723 0.1939 C.1 1 UNL1 -0.1159 21 C 7.8785 -0.6321 0.3649 C.1 1 UNL1 -0.0034 22 S 9.3303 -0.9337 0.5647 S.3 1 UNL1 0.2440 @BOND 1 14 15 ar 2 14 13 ar 3 15 16 ar 4 2 1 1 5 2 4 3 6 5 1 1 7 5 3 1 8 1 3 2 9 13 12 1 10 13 17 ar 11 4 6 1 12 16 18 1 13 16 17 ar 14 12 11 1 15 18 19 3 16 11 6 1 17 19 20 1 18 6 10 1 19 3 7 1 20 20 21 3 21 21 22 1 22 10 8 2 23 7 9 2 24 8 9 1