B9KGM5 -OEChem-04012115023D 41 44 0 1 0 0 0 0 0999 V2000 7.7634 0.4665 0.4304 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 -0.4181 2.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 -1.1907 0.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -0.2742 0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 -2.1822 -2.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -0.5103 -0.3915 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1617 1.6481 -1.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 -0.9171 1.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 -1.0253 -0.1947 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7936 2.9405 -1.4031 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 -0.2680 0.1156 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9395 -1.3702 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4371 1.1671 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 -0.5303 1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1162 -0.9106 0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 2.2179 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 3.2832 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 0.9192 -2.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 -1.4497 -1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -1.0452 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 -1.2943 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 -0.6333 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 -0.0216 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4230 -0.4846 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 0.7375 1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0512 0.2732 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3118 0.8724 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 -2.3241 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -1.5683 -1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 -0.4221 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8297 -1.1580 2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 -0.5075 0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 2.2290 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 4.2950 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 0.3269 -2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 1.6374 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 0.2968 -2.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 -1.8791 -2.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9978 -0.9505 -1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3413 1.1990 2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 1.4580 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 32 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$