LKFP49 -OEChem-05032301443D 34 35 0 0 0 0 0 0 0999 V2000 -4.2332 3.1801 0.0786 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 -2.1256 -0.0322 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1277 -2.8050 1.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 -2.7901 -1.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 1.7429 1.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -1.4829 -0.0644 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 0.1722 -0.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 -0.8750 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9809 -0.6094 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.6346 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 -0.3665 -1.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -0.6297 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 1.3120 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2432 -0.0471 -1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 -0.0622 1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 2.0442 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 1.1359 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 1.1207 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 1.7198 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9342 -1.5466 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 0.0776 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 0.3569 -1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -1.0892 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -0.1537 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1782 -1.5861 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -1.3095 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 0.2947 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9872 -0.4838 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8841 -0.5103 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 2.8908 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2336 2.4320 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 1.3819 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 1.5921 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 1.5652 2.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 M END $$$$