B7YMK9 -OEChem-04012119132D 43 45 0 0 0 0 0 0 0999 V2000 7.2764 2.0368 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.4273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 0.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 0.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3230 1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3230 -2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 -2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 -1.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 16 2 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 29 1 0 0 0 0 7 19 2 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$