BU5SJ9 -OEChem-04022103113D 37 39 0 1 0 0 0 0 0999 V2000 -3.4134 1.5526 2.3228 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -2.6630 0.4685 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3392 1.0518 -0.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 -1.4903 0.3204 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -1.4914 -0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 -0.2330 0.9381 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0115 0.5026 1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 -0.3796 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2698 0.5411 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3717 -0.0041 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 -2.6013 0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2502 1.3674 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 0.4117 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 1.1934 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2138 -0.8470 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1232 2.0641 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0353 1.1084 -2.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0019 -3.7797 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 1.9346 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 1.5483 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -0.4923 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 0.7054 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 -0.5138 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 1.5322 0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 0.4796 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 -0.2054 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 1.8717 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -1.7849 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 2.7123 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9491 1.0113 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -4.1378 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 -3.4948 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -4.5919 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6947 2.4778 -2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5735 2.4819 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -1.1574 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 0.3548 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 22 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 20 1 0 0 0 0 14 27 1 0 0 0 0 15 21 2 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$