B79YJF -OEChem-04022107263D 40 43 0 0 0 0 0 0 0999 V2000 0.7887 1.9922 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 0.5321 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 2.7513 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6535 2.1616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 -2.3649 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -0.1448 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.1160 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4519 -0.2811 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -0.0796 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3169 -0.0794 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9284 0.0508 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 0.0509 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 0.2547 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2601 0.8557 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0323 -1.5495 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6488 0.7242 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4209 -1.6810 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2292 -0.5441 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 1.7629 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 -0.2291 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 0.8665 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8967 -1.5382 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 0.0134 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 -2.5615 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 -1.0792 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -0.1289 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 -0.1287 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 0.1013 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 0.1014 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6688 -0.2520 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -0.2523 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8241 1.8519 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 -2.4462 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2783 1.6093 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8730 -2.6685 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3104 -0.6466 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 -1.7892 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 1.0183 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5175 -3.6003 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 -0.9441 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 19 2 0 0 0 0 4 21 2 0 0 0 0 5 24 2 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$