BX28NQ -OEChem-04022104553D 41 41 0 1 0 0 0 0 0999 V2000 1.8160 -2.6221 -0.3120 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -3.0896 -1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -3.2472 0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -2.9940 1.7979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -4.0844 -0.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2447 1.1559 -1.6138 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 3.7482 1.4443 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3649 3.8626 -0.6656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 -2.6120 -0.7741 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9265 1.8438 0.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 3.2118 0.3244 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8372 -2.0241 0.1266 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5960 -0.9118 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -0.0080 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1517 -0.8967 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -3.1432 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 1.0491 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -0.2787 1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -0.1533 -1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8004 2.9111 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 1.0827 1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8772 1.2082 -1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6811 1.8262 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0244 4.1654 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -1.6469 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 -1.3477 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 -0.2861 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 0.5003 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0976 -0.6078 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 -2.7741 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -0.8378 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -0.6126 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 1.6802 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 3.1108 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 2.5705 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 1.5302 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 1.7563 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -3.7204 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3268 3.9870 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 4.5142 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 4.9664 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$