B9PGZ8 -OEChem-04042104213D 48 50 0 0 0 0 0 0 0999 V2000 -0.9290 -0.9338 -2.9514 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 -0.3205 -2.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8809 -3.7716 0.9977 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1532 -1.6050 1.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.6865 -0.5012 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8832 1.2258 -1.6153 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 0.2749 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4775 1.4595 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -0.0697 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0077 -2.0970 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 0.2119 1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 2.6624 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1996 0.2984 -3.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 0.7773 -2.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 1.4185 2.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 2.6231 1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 1.1733 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -2.4208 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -0.2037 -0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 2.5177 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 1.0537 -0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 0.0353 1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -1.3417 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -1.2221 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 3.1797 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 -4.2393 1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -2.3858 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -2.6795 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2879 -0.7206 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8349 3.6034 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 -0.1934 -4.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3812 1.1394 -4.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 1.3085 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 1.4855 -3.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0839 1.4179 3.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8599 3.5447 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 2.4327 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 3.1707 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7812 1.9547 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 0.1152 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.3234 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -2.1081 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 3.3193 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0121 4.1619 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 2.5733 2.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -4.0111 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 -3.7901 2.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -5.3240 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 10 18 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$