@MOLECULE 7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline 23 24 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.8769 0.4675 0.1057 S.2 1 UNL11111111111 -0.2430 2 N 3.6649 1.3993 0.2942 N.3 1 UNL11111111111 -0.5330 3 N -2.2382 -0.2221 -0.2443 N.2 1 UNL11111111111 -0.3964 4 C 3.3341 -1.0190 0.2391 C.3 1 UNL11111111111 -0.2827 5 C 1.8644 -0.7994 0.0905 C.ar 1 UNL11111111111 0.0029 6 C 1.3534 0.5005 -0.0035 C.ar 1 UNL11111111111 0.0157 7 C 4.1212 0.1584 -0.3653 C.3 1 UNL11111111111 -0.1029 8 C 2.2492 1.7094 -0.0123 C.3 1 UNL11111111111 -0.1188 9 C 0.9970 -1.8945 0.0714 C.ar 1 UNL11111111111 -0.1439 10 C -0.0221 0.7052 -0.1081 C.ar 1 UNL11111111111 -0.2310 11 C -0.8780 -0.4047 -0.1203 C.ar 1 UNL11111111111 0.2387 12 C -0.3757 -1.7124 -0.0365 C.ar 1 UNL11111111111 -0.1879 13 C -3.3593 0.1165 -0.0297 C.1 1 UNL11111111111 0.3417 14 H 3.5776 -1.1009 1.3243 H 1 UNL11111111111 0.1741 15 H 3.6585 -1.9692 -0.2235 H 1 UNL11111111111 0.1472 16 H 5.2067 0.0368 -0.1585 H 1 UNL11111111111 0.1386 17 H 3.9937 0.1757 -1.4686 H 1 UNL11111111111 0.1181 18 H 2.1340 2.2344 -0.9905 H 1 UNL11111111111 0.1297 19 H 1.9144 2.4237 0.7833 H 1 UNL11111111111 0.1644 20 H 4.2608 2.1872 0.0435 H 1 UNL11111111111 0.2572 21 H 1.4003 -2.9051 0.1435 H 1 UNL11111111111 0.1616 22 H -0.4302 1.7119 -0.1791 H 1 UNL11111111111 0.1744 23 H -1.0525 -2.5648 -0.0558 H 1 UNL11111111111 0.1753 @BOND 1 1 13 2 2 2 7 1 3 2 8 1 4 2 20 1 5 3 11 1 6 3 13 2 7 4 5 1 8 4 7 1 9 4 14 1 10 4 15 1 11 5 6 ar 12 5 9 ar 13 6 8 1 14 6 10 ar 15 7 16 1 16 7 17 1 17 8 18 1 18 8 19 1 19 9 12 ar 20 9 21 1 21 10 11 ar 22 10 22 1 23 11 12 ar 24 12 23 1