B6MBY1 -OEChem-04012117192D 45 47 0 0 0 0 0 0 0999 V2000 3.4782 -1.6256 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3249 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.8689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0151 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 0.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6280 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5793 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7822 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4312 1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9101 2.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1185 2.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2430 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1956 2.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -2.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 30 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 16 1 0 0 0 0 4 19 2 0 0 0 0 5 19 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$