@MOLECULE 2,4-dinitrophenyl thiocyanate 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4039 1.0882 -0.7864 S.3 1 UNL1111111111 0.2664 2 O -0.6351 -2.7631 -0.6625 O.2 1 UNL1111111111 -0.3572 3 O -2.1894 -1.6316 0.3171 O.2 1 UNL1111111111 -0.3625 4 O 4.1789 1.0518 0.2287 O.2 1 UNL1111111111 -0.3794 5 O 3.8226 -1.0631 0.4544 O.2 1 UNL1111111111 -0.3638 6 N -1.0848 -1.7414 -0.1785 N.pl3 1 UNL1111111111 0.6107 7 N 3.4477 0.0776 0.2559 N.pl3 1 UNL1111111111 0.6163 8 N -3.7461 0.6450 1.6896 N.1 1 UNL1111111111 -0.1553 9 C -0.2080 -0.5649 -0.1785 C.ar 1 UNL1111111111 -0.0650 10 C 2.0183 0.2973 0.0332 C.ar 1 UNL1111111111 -0.0682 11 C 1.1529 -0.7971 0.0291 C.ar 1 UNL1111111111 -0.0519 12 C -0.6980 0.7270 -0.3891 C.ar 1 UNL1111111111 -0.0683 13 C 1.5501 1.5962 -0.1727 C.ar 1 UNL1111111111 -0.0611 14 C 0.1879 1.8035 -0.3858 C.ar 1 UNL1111111111 -0.1407 15 C -3.1734 0.8009 0.6968 C.1 1 UNL1111111111 -0.0261 16 H 1.5371 -1.8207 0.1798 H 1 UNL1111111111 0.2213 17 H 2.2476 2.4443 -0.1639 H 1 UNL1111111111 0.1969 18 H -0.1688 2.8283 -0.5434 H 1 UNL1111111111 0.1879 @BOND 1 1 12 1 2 1 15 1 3 2 6 2 4 3 6 2 5 4 7 2 6 5 7 2 7 6 9 1 8 7 10 1 9 8 15 3 10 9 11 ar 11 9 12 ar 12 10 11 ar 13 10 13 ar 14 11 16 1 15 12 14 ar 16 13 14 ar 17 13 17 1 18 14 18 1