B1LWZ4 -OEChem-04042103143D 40 43 0 1 0 0 0 0 0999 V2000 0.5072 0.9607 1.0221 S 0 0 1 0 0 0 0 0 0 0 0 0 7.7898 -0.7828 0.0454 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9621 0.0887 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 2.4404 1.2513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 0.7566 1.1315 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 2.3848 -1.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 -0.5702 -0.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1057 -2.0017 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2035 -3.4277 0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7632 -2.3268 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -1.3264 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 0.8402 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 0.3978 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 2.0541 -0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 1.1999 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 0.7539 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 0.3407 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 0.0681 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 2.7821 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 -0.7534 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 0.0926 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4596 -1.6077 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 -0.7641 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.5999 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 -1.6974 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3069 -3.9270 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9053 -4.0742 0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8407 -2.2330 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2434 -2.0870 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 -1.6596 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 -1.6097 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 -0.5288 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 2.4236 -0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.3008 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 1.3340 -1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 1.4485 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 3.7353 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1673 0.7420 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 -2.2608 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4657 -2.2546 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 19 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$