BS0T4F -OEChem-04022113023D 36 38 0 0 0 0 0 0 0999 V2000 0.9308 -0.2928 1.6064 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.7085 1.9479 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 0.6884 2.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -0.9082 -0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -1.7281 -1.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -3.0527 -0.4392 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -0.1191 0.8803 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7566 -2.7599 0.1213 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0627 1.0435 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 0.7480 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5718 -0.6310 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 -1.1366 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 0.1115 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 2.3211 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 1.7764 -0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5512 -0.7128 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 1.2770 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2536 3.3252 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 3.0593 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 -1.4038 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5837 -0.3717 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0243 1.6181 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 0.7938 -1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -1.9373 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2374 -2.1287 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 2.5534 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 1.5948 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 1.9407 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 4.3298 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 3.8567 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.0055 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 2.5256 -0.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1244 1.0595 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -3.2283 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5638 -3.3329 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 -2.5560 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 4 20 2 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 24 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$