@MOLECULE 9-isothiocyanatoacridine 25 27 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4184 -0.1985 0.1768 S.2 1 UNL1111111111 -0.1873 2 N 2.4443 0.1228 0.1096 N.ar 1 UNL1111111111 -0.3998 3 N -1.7114 -0.1006 -0.2804 N.2 1 UNL1111111111 -0.4086 4 C 0.4104 -1.2127 -0.0768 C.ar 1 UNL1111111111 -0.1432 5 C 0.2801 1.2363 -0.0767 C.ar 1 UNL1111111111 -0.1445 6 C -0.3509 -0.0252 -0.1324 C.ar 1 UNL1111111111 0.2864 7 C 1.8298 -1.0751 0.0489 C.ar 1 UNL1111111111 0.2016 8 C 1.7061 1.2489 0.0481 C.ar 1 UNL1111111111 0.2017 9 C -0.1500 -2.5256 -0.1373 C.ar 1 UNL1111111111 -0.1149 10 C -0.4158 2.4829 -0.1372 C.ar 1 UNL1111111111 -0.1160 11 C 2.6469 -2.2585 0.1164 C.ar 1 UNL1111111111 -0.1524 12 C 2.3950 2.5117 0.1143 C.ar 1 UNL1111111111 -0.1517 13 C 0.6525 -3.6256 -0.0713 C.ar 1 UNL1111111111 -0.1511 14 C 0.2676 3.6607 -0.0725 C.ar 1 UNL1111111111 -0.1504 15 C 2.0690 -3.4891 0.0585 C.ar 1 UNL1111111111 -0.1158 16 C 1.6909 3.6746 0.0561 C.ar 1 UNL1111111111 -0.1163 17 C -2.8745 -0.1361 -0.0040 C.1 1 UNL1111111111 0.3478 18 H -1.2308 -2.6274 -0.2418 H 1 UNL1111111111 0.1633 19 H -1.5012 2.4710 -0.2407 H 1 UNL1111111111 0.1628 20 H 3.7248 -2.1190 0.2137 H 1 UNL1111111111 0.1794 21 H 3.4817 2.4859 0.2106 H 1 UNL1111111111 0.1795 22 H 0.2325 -4.6298 -0.1172 H 1 UNL1111111111 0.1587 23 H -0.2554 4.6154 -0.1186 H 1 UNL1111111111 0.1587 24 H 2.6724 -4.3957 0.1088 H 1 UNL1111111111 0.1559 25 H 2.1951 4.6398 0.1052 H 1 UNL1111111111 0.1561 @BOND 1 1 17 2 2 2 7 ar 3 2 8 ar 4 3 6 1 5 3 17 2 6 4 6 ar 7 4 7 ar 8 4 9 ar 9 5 6 ar 10 5 8 ar 11 5 10 ar 12 7 11 ar 13 8 12 ar 14 9 13 ar 15 9 18 1 16 10 14 ar 17 10 19 1 18 11 15 ar 19 11 20 1 20 12 16 ar 21 12 21 1 22 13 15 ar 23 13 22 1 24 14 16 ar 25 14 23 1 26 15 24 1 27 16 25 1