BO3YQ5 -OEChem-04022106453D 39 41 0 0 0 0 0 0 0999 V2000 -4.5221 -0.0840 0.4885 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 1.2098 -0.9593 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -2.1662 0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.6131 -0.1386 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 1.7025 -0.4004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5236 2.3738 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 1.3386 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.0946 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 1.6406 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 -1.0263 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 0.7428 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 3.0780 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 2.4406 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4435 -1.6249 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 2.0809 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -2.3549 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -1.8592 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 2.7852 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7489 -3.3371 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0854 -2.8414 1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -3.5803 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 2.9634 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 3.0664 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5825 2.1082 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3096 1.6298 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 3.6003 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 3.8465 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 1.9683 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 3.2342 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1494 1.5378 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 1.3388 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -2.1725 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.2877 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 2.0574 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6747 3.5097 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 3.3154 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -3.9124 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -3.0304 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1809 -4.3448 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$