B3YBL7 -OEChem-04012116592D 54 58 0 1 0 0 0 0 0999 V2000 9.1504 0.1071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 3.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 0.4673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 0.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -1.1800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 1.4618 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6472 1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 -0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9588 2.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7346 -1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4288 -2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -3.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 -3.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 2.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 2.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8898 3.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 4.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1679 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5697 2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4018 -1.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5697 2.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1679 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 0.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 2.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8146 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 -3.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0185 -2.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6817 -3.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 10 2 0 0 0 0 6 14 1 0 0 0 0 6 25 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 36 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$