B2UYS9 -OEChem-04022106333D 39 40 0 1 0 0 0 0 0999 V2000 -2.8522 -0.2219 -1.8313 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 -1.5395 -2.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -3.3416 2.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 -2.6749 -0.1654 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -0.1138 0.5748 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 0.8840 0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 1.6006 1.2362 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4095 3.0182 -0.3428 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 -1.3991 0.0929 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6551 -0.2710 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.0025 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 -1.1540 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 1.1740 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -0.4889 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 0.5061 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 0.4721 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 -3.5163 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1318 1.0668 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 1.0195 1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7441 1.6016 0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1024 1.5793 1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 1.7965 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 -1.4867 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 -0.5102 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 0.6506 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -0.8955 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 0.2344 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8244 2.0806 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 1.3265 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 -2.9615 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -4.4281 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6388 1.0877 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 1.0074 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7350 2.0405 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 2.0001 2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 0.7456 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9485 2.3020 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 3.6568 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 3.3249 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 4 30 1 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 22 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$